smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000119494454 1033077446 /nfs/dbraw/zinc/07/74/46/1033077446.db2.gz GPCDZRVFKRWSFL-CUWPLCDZSA-N 2 2 338.499 3.818 10 0 EHAELP CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000119494454 1033077452 /nfs/dbraw/zinc/07/74/52/1033077452.db2.gz GPCDZRVFKRWSFL-CUWPLCDZSA-N 2 2 338.499 3.818 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1 ZINC000248049274 1028844098 /nfs/dbraw/zinc/84/40/98/1028844098.db2.gz VWGATLJIWVGCBZ-GQIGUUNPSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1 ZINC000248049274 1028844115 /nfs/dbraw/zinc/84/41/15/1028844115.db2.gz VWGATLJIWVGCBZ-GQIGUUNPSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000248580220 1028919528 /nfs/dbraw/zinc/91/95/28/1028919528.db2.gz OKKZSBJXEIEWML-NNMXDRDESA-N 2 2 337.511 3.760 10 0 EHAELP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000248580220 1028919545 /nfs/dbraw/zinc/91/95/45/1028919545.db2.gz OKKZSBJXEIEWML-NNMXDRDESA-N 2 2 337.511 3.760 10 0 EHAELP C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180389649 1031846805 /nfs/dbraw/zinc/84/68/05/1031846805.db2.gz VXKMMCPDACFRBY-DNVCBOLYSA-N 2 2 346.434 3.649 10 0 EHAELP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000333718097 1138325097 /nfs/dbraw/zinc/32/50/97/1138325097.db2.gz UCMJPWNCMADJBZ-VQIMIIECSA-N 2 2 345.874 3.611 10 0 EHAELP C[N@@H+](Cc1ccccc1Br)C[C@H]1CCCCC[C@@H]1[NH3+] ZINC000053876390 214202203 /nfs/dbraw/zinc/20/22/03/214202203.db2.gz XALDCKLBBMIODR-ZBFHGGJFSA-N 2 2 325.294 3.789 10 0 EHAELP C[N@H+](Cc1ccccc1Br)C[C@H]1CCCCC[C@@H]1[NH3+] ZINC000053876390 214202206 /nfs/dbraw/zinc/20/22/06/214202206.db2.gz XALDCKLBBMIODR-ZBFHGGJFSA-N 2 2 325.294 3.789 10 0 EHAELP CCc1c(C)[nH+]c(-c2ccc(Cl)cc2)nc1N[C@H]1CCC[NH2+]C1 ZINC000070456600 203076940 /nfs/dbraw/zinc/07/69/40/203076940.db2.gz UENLWKFBQVVWDT-HNNXBMFYSA-N 2 2 330.863 3.832 10 0 EHAELP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1OC ZINC000126472199 1027207978 /nfs/dbraw/zinc/20/79/78/1027207978.db2.gz VGWOGQDVICRXMX-SFHVURJKSA-N 2 2 336.439 3.825 10 0 EHAELP Cc1ccc(-c2cc(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000245610688 1028920722 /nfs/dbraw/zinc/92/07/22/1028920722.db2.gz NYSLLHLCRAULHA-JXFKEZNVSA-N 2 2 336.439 3.930 10 0 EHAELP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000245610688 1028920739 /nfs/dbraw/zinc/92/07/39/1028920739.db2.gz NYSLLHLCRAULHA-JXFKEZNVSA-N 2 2 336.439 3.930 10 0 EHAELP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000178439541 1031664153 /nfs/dbraw/zinc/66/41/53/1031664153.db2.gz UMKNEEJUIXISMN-YEWWUXTCSA-N 2 2 344.528 3.716 10 0 EHAELP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000178439541 1031664167 /nfs/dbraw/zinc/66/41/67/1031664167.db2.gz UMKNEEJUIXISMN-YEWWUXTCSA-N 2 2 344.528 3.716 10 0 EHAELP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3ncoc3C(C)C)C1)CCCC2 ZINC000299738797 563963831 /nfs/dbraw/zinc/96/38/31/563963831.db2.gz GNXHAUVNHSSVSR-OAHLLOKOSA-N 2 2 328.460 3.629 10 0 EHAELP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3ncoc3C(C)C)C1)CCCC2 ZINC000299738797 563963832 /nfs/dbraw/zinc/96/38/32/563963832.db2.gz GNXHAUVNHSSVSR-OAHLLOKOSA-N 2 2 328.460 3.629 10 0 EHAELP COc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000177346526 1031558746 /nfs/dbraw/zinc/55/87/46/1031558746.db2.gz HBMFLHQZOSQEPF-FIKGOQFSSA-N 2 2 339.483 3.651 10 0 EHAELP COc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000177346526 1031558764 /nfs/dbraw/zinc/55/87/64/1031558764.db2.gz HBMFLHQZOSQEPF-FIKGOQFSSA-N 2 2 339.483 3.651 10 0 EHAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000193110409 1036567230 /nfs/dbraw/zinc/56/72/30/1036567230.db2.gz GQVSABGDUCGWCZ-BBRMVZONSA-N 2 2 335.904 3.797 10 0 EHAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000193110409 1036567242 /nfs/dbraw/zinc/56/72/42/1036567242.db2.gz GQVSABGDUCGWCZ-BBRMVZONSA-N 2 2 335.904 3.797 10 0 EHAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(Br)ccc1Cl ZINC000035570031 202307488 /nfs/dbraw/zinc/30/74/88/202307488.db2.gz WKPHVDVCTCFOJZ-GFCCVEGCSA-N 2 2 328.641 3.719 10 0 EHAELP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000072359247 203205488 /nfs/dbraw/zinc/20/54/88/203205488.db2.gz RKSBMJGEEWNGKB-KRWDZBQOSA-N 2 2 348.454 3.518 10 0 EHAELP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000072359247 203205492 /nfs/dbraw/zinc/20/54/92/203205492.db2.gz RKSBMJGEEWNGKB-KRWDZBQOSA-N 2 2 348.454 3.518 10 0 EHAELP CCC[N@H+](CC1CC1)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092108 204210905 /nfs/dbraw/zinc/21/09/05/204210905.db2.gz XUPROBBIXOWIBW-MLGOLLRUSA-N 2 2 325.294 3.959 10 0 EHAELP CCC[N@@H+](CC1CC1)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092108 204210910 /nfs/dbraw/zinc/21/09/10/204210910.db2.gz XUPROBBIXOWIBW-MLGOLLRUSA-N 2 2 325.294 3.959 10 0 EHAELP CCOc1c(Cl)cc(C[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000039279951 563922543 /nfs/dbraw/zinc/92/25/43/563922543.db2.gz KBTIEMBKJAYGMH-UHFFFAOYSA-N 2 2 328.243 3.769 10 0 EHAELP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000156972056 1030172977 /nfs/dbraw/zinc/17/29/77/1030172977.db2.gz NKZNUOULBALHAF-ZWOKBUDYSA-N 2 2 339.483 3.651 10 0 EHAELP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000156972056 1030172980 /nfs/dbraw/zinc/17/29/80/1030172980.db2.gz NKZNUOULBALHAF-ZWOKBUDYSA-N 2 2 339.483 3.651 10 0 EHAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccn3Cc3cccs3)CC[C@@H]21 ZINC000092043095 1030363816 /nfs/dbraw/zinc/36/38/16/1030363816.db2.gz QEXWMVDEMIIQER-LPHOPBHVSA-N 2 2 329.513 3.514 10 0 EHAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccn3Cc3cccs3)CC[C@@H]21 ZINC000092043095 1030363835 /nfs/dbraw/zinc/36/38/35/1030363835.db2.gz QEXWMVDEMIIQER-LPHOPBHVSA-N 2 2 329.513 3.514 10 0 EHAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccn3Cc3cccs3)CC[C@@H]21 ZINC000092043095 1030363853 /nfs/dbraw/zinc/36/38/53/1030363853.db2.gz QEXWMVDEMIIQER-LPHOPBHVSA-N 2 2 329.513 3.514 10 0 EHAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccn3Cc3cccs3)CC[C@@H]21 ZINC000092043095 1030363871 /nfs/dbraw/zinc/36/38/71/1030363871.db2.gz QEXWMVDEMIIQER-LPHOPBHVSA-N 2 2 329.513 3.514 10 0 EHAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000120553071 1037940743 /nfs/dbraw/zinc/94/07/43/1037940743.db2.gz HVEDHJMMYQRVTA-UHFFFAOYSA-N 2 2 332.517 3.629 10 0 EHAELP CCc1c(C)[nH+]c(-c2ccc(F)cc2)nc1NCC1CC[NH2+]CC1 ZINC000070456058 202335527 /nfs/dbraw/zinc/33/55/27/202335527.db2.gz BWBIHMFBYPLSQR-UHFFFAOYSA-N 2 2 328.435 3.565 10 0 EHAELP C[N@H+]([C@H](C[NH3+])c1ccc(F)c(Br)c1)C1CCCCC1 ZINC000019503229 212034852 /nfs/dbraw/zinc/03/48/52/212034852.db2.gz IFHMVYJJLQMDEO-OAHLLOKOSA-N 2 2 329.257 3.853 10 0 EHAELP C[N@@H+]([C@H](C[NH3+])c1ccc(F)c(Br)c1)C1CCCCC1 ZINC000019503229 212034856 /nfs/dbraw/zinc/03/48/56/212034856.db2.gz IFHMVYJJLQMDEO-OAHLLOKOSA-N 2 2 329.257 3.853 10 0 EHAELP C[C@H](C[NH2+]C1CCCC1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000053498526 207188518 /nfs/dbraw/zinc/18/85/18/207188518.db2.gz NJAWZBRSABYFTJ-CYBMUJFWSA-N 2 2 325.294 3.802 10 0 EHAELP C[C@H](C[NH2+]C1CCCC1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000053498526 207188521 /nfs/dbraw/zinc/18/85/21/207188521.db2.gz NJAWZBRSABYFTJ-CYBMUJFWSA-N 2 2 325.294 3.802 10 0 EHAELP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328635646 258026708 /nfs/dbraw/zinc/02/67/08/258026708.db2.gz NNOUKLLTEQYHTB-LRQRDZAKSA-N 2 2 341.474 3.824 10 0 EHAELP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328635646 258026710 /nfs/dbraw/zinc/02/67/10/258026710.db2.gz NNOUKLLTEQYHTB-LRQRDZAKSA-N 2 2 341.474 3.824 10 0 EHAELP Cc1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)nc2ccccc12 ZINC000071911965 563591304 /nfs/dbraw/zinc/59/13/04/563591304.db2.gz NBIVRSNACJSAPY-KRWDZBQOSA-N 2 2 349.482 3.923 10 0 EHAELP Cc1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)nc2ccccc12 ZINC000071911965 563591306 /nfs/dbraw/zinc/59/13/06/563591306.db2.gz NBIVRSNACJSAPY-KRWDZBQOSA-N 2 2 349.482 3.923 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000126238657 1027179210 /nfs/dbraw/zinc/17/92/10/1027179210.db2.gz BJZHDDREPHDKOD-SIFCLUCFSA-N 2 2 345.437 3.921 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000126238657 1027179223 /nfs/dbraw/zinc/17/92/23/1027179223.db2.gz BJZHDDREPHDKOD-SIFCLUCFSA-N 2 2 345.437 3.921 10 0 EHAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(CSC(F)F)o3)CC[C@H]21 ZINC000246782723 1028690964 /nfs/dbraw/zinc/69/09/64/1028690964.db2.gz QGFVSJDQZUMTNV-IUODEOHRSA-N 2 2 330.444 3.652 10 0 EHAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(CSC(F)F)o3)CC[C@H]21 ZINC000246782723 1028690979 /nfs/dbraw/zinc/69/09/79/1028690979.db2.gz QGFVSJDQZUMTNV-IUODEOHRSA-N 2 2 330.444 3.652 10 0 EHAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(CSC(F)F)o3)CC[C@H]21 ZINC000246782723 1028690986 /nfs/dbraw/zinc/69/09/86/1028690986.db2.gz QGFVSJDQZUMTNV-IUODEOHRSA-N 2 2 330.444 3.652 10 0 EHAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(CSC(F)F)o3)CC[C@H]21 ZINC000246782723 1028691004 /nfs/dbraw/zinc/69/10/04/1028691004.db2.gz QGFVSJDQZUMTNV-IUODEOHRSA-N 2 2 330.444 3.652 10 0 EHAELP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000245610694 1028921343 /nfs/dbraw/zinc/92/13/43/1028921343.db2.gz NYSLLHLCRAULHA-UZLBHIALSA-N 2 2 336.439 3.930 10 0 EHAELP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000245610694 1028921359 /nfs/dbraw/zinc/92/13/59/1028921359.db2.gz NYSLLHLCRAULHA-UZLBHIALSA-N 2 2 336.439 3.930 10 0 EHAELP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000186168637 1035595679 /nfs/dbraw/zinc/59/56/79/1035595679.db2.gz CFLKZXLJDQZGPF-VYDXJSESSA-N 2 2 345.512 3.713 10 0 EHAELP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000186168637 1035595687 /nfs/dbraw/zinc/59/56/87/1035595687.db2.gz CFLKZXLJDQZGPF-VYDXJSESSA-N 2 2 345.512 3.713 10 0 EHAELP CC[NH2+][C@H]1CCC[C@@H]1C[N@H+](C)Cc1ccccc1Br ZINC000053876344 214202864 /nfs/dbraw/zinc/20/28/64/214202864.db2.gz POVLGFPGZXYVJI-ZBFHGGJFSA-N 2 2 325.294 3.659 10 0 EHAELP CC[NH2+][C@H]1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1Br ZINC000053876344 214202866 /nfs/dbraw/zinc/20/28/66/214202866.db2.gz POVLGFPGZXYVJI-ZBFHGGJFSA-N 2 2 325.294 3.659 10 0 EHAELP Cc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000070456563 203076906 /nfs/dbraw/zinc/07/69/06/203076906.db2.gz CWCYREOETZKSSV-CQSZACIVSA-N 2 2 336.361 3.635 10 0 EHAELP CC(C)C[N@H+]([C@H](C[NH3+])c1ccc(F)c(Br)c1)C1CC1 ZINC000042555171 204106885 /nfs/dbraw/zinc/10/68/85/204106885.db2.gz YZUIMFMXLHNJCO-OAHLLOKOSA-N 2 2 329.257 3.708 10 0 EHAELP CC(C)C[N@@H+]([C@H](C[NH3+])c1ccc(F)c(Br)c1)C1CC1 ZINC000042555171 204106889 /nfs/dbraw/zinc/10/68/89/204106889.db2.gz YZUIMFMXLHNJCO-OAHLLOKOSA-N 2 2 329.257 3.708 10 0 EHAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@@H]1CCSC1 ZINC000042952994 204184467 /nfs/dbraw/zinc/18/44/67/204184467.db2.gz QHDPAJXEBRZYDZ-RBSFLKMASA-N 2 2 343.334 3.665 10 0 EHAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000042952994 204184469 /nfs/dbraw/zinc/18/44/69/204184469.db2.gz QHDPAJXEBRZYDZ-RBSFLKMASA-N 2 2 343.334 3.665 10 0 EHAELP CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000328631533 258028372 /nfs/dbraw/zinc/02/83/72/258028372.db2.gz KOFPTWDLZANOQJ-FPOVZHCZSA-N 2 2 339.483 3.605 10 0 EHAELP CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000328631533 258028373 /nfs/dbraw/zinc/02/83/73/258028373.db2.gz KOFPTWDLZANOQJ-FPOVZHCZSA-N 2 2 339.483 3.605 10 0 EHAELP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328631533 258028374 /nfs/dbraw/zinc/02/83/74/258028374.db2.gz KOFPTWDLZANOQJ-FPOVZHCZSA-N 2 2 339.483 3.605 10 0 EHAELP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328631533 258028375 /nfs/dbraw/zinc/02/83/75/258028375.db2.gz KOFPTWDLZANOQJ-FPOVZHCZSA-N 2 2 339.483 3.605 10 0 EHAELP COc1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)cc1Cl ZINC000010314110 563646912 /nfs/dbraw/zinc/64/69/12/563646912.db2.gz ZIEYCKWYPAHVQT-UHFFFAOYSA-N 2 2 345.830 3.985 10 0 EHAELP c1cn(CCC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c[nH+]1 ZINC000182910145 1032150307 /nfs/dbraw/zinc/15/03/07/1032150307.db2.gz JWOPQUMKTUCREB-GOSISDBHSA-N 2 2 335.455 3.543 10 0 EHAELP c1cn(CCC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c[nH+]1 ZINC000182910145 1032150314 /nfs/dbraw/zinc/15/03/14/1032150314.db2.gz JWOPQUMKTUCREB-GOSISDBHSA-N 2 2 335.455 3.543 10 0 EHAELP CC[NH2+][C@H]1CCC[C@H]1C[N@H+](C)Cc1ccccc1Br ZINC000053876348 214202516 /nfs/dbraw/zinc/20/25/16/214202516.db2.gz POVLGFPGZXYVJI-HOCLYGCPSA-N 2 2 325.294 3.659 10 0 EHAELP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)Cc1ccccc1Br ZINC000053876348 214202518 /nfs/dbraw/zinc/20/25/18/214202518.db2.gz POVLGFPGZXYVJI-HOCLYGCPSA-N 2 2 325.294 3.659 10 0 EHAELP CCCc1cc(N2CCC[NH2+]CC2)nc(-c2cccc(Cl)c2)[nH+]1 ZINC000070451981 202334891 /nfs/dbraw/zinc/33/48/91/202334891.db2.gz JLIUQNFJBJHQJI-UHFFFAOYSA-N 2 2 330.863 3.549 10 0 EHAELP CC(C)C[N@H+](C(C)C)[C@H](C[NH3+])c1ccc(Br)cc1F ZINC000042579311 204110054 /nfs/dbraw/zinc/11/00/54/204110054.db2.gz HPILFNFOYDHNEP-OAHLLOKOSA-N 2 2 331.273 3.954 10 0 EHAELP CC(C)C[N@@H+](C(C)C)[C@H](C[NH3+])c1ccc(Br)cc1F ZINC000042579311 204110058 /nfs/dbraw/zinc/11/00/58/204110058.db2.gz HPILFNFOYDHNEP-OAHLLOKOSA-N 2 2 331.273 3.954 10 0 EHAELP CCC(CC)[N@H+](CCOC)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042615094 204115801 /nfs/dbraw/zinc/11/58/01/204115801.db2.gz XVWRIDFOHFGYLO-GFCCVEGCSA-N 2 2 349.338 3.647 10 0 EHAELP CCC(CC)[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042615094 204115804 /nfs/dbraw/zinc/11/58/04/204115804.db2.gz XVWRIDFOHFGYLO-GFCCVEGCSA-N 2 2 349.338 3.647 10 0 EHAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000275533240 564009196 /nfs/dbraw/zinc/00/91/96/564009196.db2.gz DWSXLDOCIXIFMD-KRWDZBQOSA-N 2 2 345.487 3.769 10 0 EHAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000275533240 564009197 /nfs/dbraw/zinc/00/91/97/564009197.db2.gz DWSXLDOCIXIFMD-KRWDZBQOSA-N 2 2 345.487 3.769 10 0 EHAELP c1cn(CCC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c[nH+]1 ZINC000182910164 1032149072 /nfs/dbraw/zinc/14/90/72/1032149072.db2.gz JWOPQUMKTUCREB-SFHVURJKSA-N 2 2 335.455 3.543 10 0 EHAELP c1cn(CCC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c[nH+]1 ZINC000182910164 1032149080 /nfs/dbraw/zinc/14/90/80/1032149080.db2.gz JWOPQUMKTUCREB-SFHVURJKSA-N 2 2 335.455 3.543 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000246892748 1028707501 /nfs/dbraw/zinc/70/75/01/1028707501.db2.gz DUQCNHVTHIKMHA-LPTQZCDUSA-N 2 2 339.458 3.708 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000246892748 1028707521 /nfs/dbraw/zinc/70/75/21/1028707521.db2.gz DUQCNHVTHIKMHA-LPTQZCDUSA-N 2 2 339.458 3.708 10 0 EHAELP CC[C@H]([NH3+])[C@H](c1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000043090313 204211794 /nfs/dbraw/zinc/21/17/94/204211794.db2.gz ZQRWKJLXAQXVJJ-HOTGVXAUSA-N 2 2 325.294 3.959 10 0 EHAELP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328635649 258026780 /nfs/dbraw/zinc/02/67/80/258026780.db2.gz NNOUKLLTEQYHTB-PBEJRMEISA-N 2 2 341.474 3.824 10 0 EHAELP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328635649 258026782 /nfs/dbraw/zinc/02/67/82/258026782.db2.gz NNOUKLLTEQYHTB-PBEJRMEISA-N 2 2 341.474 3.824 10 0 EHAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000275533246 564009181 /nfs/dbraw/zinc/00/91/81/564009181.db2.gz DWSXLDOCIXIFMD-QGZVFWFLSA-N 2 2 345.487 3.769 10 0 EHAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000275533246 564009182 /nfs/dbraw/zinc/00/91/82/564009182.db2.gz DWSXLDOCIXIFMD-QGZVFWFLSA-N 2 2 345.487 3.769 10 0 EHAELP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CC2 ZINC000126264666 1027178193 /nfs/dbraw/zinc/17/81/93/1027178193.db2.gz OQVGQEFKZGJDPC-BULFRSBZSA-N 2 2 335.495 3.878 10 0 EHAELP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CC2 ZINC000126264666 1027178206 /nfs/dbraw/zinc/17/82/06/1027178206.db2.gz OQVGQEFKZGJDPC-BULFRSBZSA-N 2 2 335.495 3.878 10 0 EHAELP Clc1cccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000127747116 1027350349 /nfs/dbraw/zinc/35/03/49/1027350349.db2.gz QBPRRWWZIIVGLR-UHFFFAOYSA-N 2 2 344.890 3.790 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000247979442 1028835697 /nfs/dbraw/zinc/83/56/97/1028835697.db2.gz IFMGLUXQRKFBGD-YFXJRYMSSA-N 2 2 349.522 3.903 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000247979442 1028835712 /nfs/dbraw/zinc/83/57/12/1028835712.db2.gz IFMGLUXQRKFBGD-YFXJRYMSSA-N 2 2 349.522 3.903 10 0 EHAELP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CC2 ZINC000248132654 1028849682 /nfs/dbraw/zinc/84/96/82/1028849682.db2.gz OQVGQEFKZGJDPC-ZPMCFJSWSA-N 2 2 335.495 3.878 10 0 EHAELP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CC2 ZINC000248132654 1028849694 /nfs/dbraw/zinc/84/96/94/1028849694.db2.gz OQVGQEFKZGJDPC-ZPMCFJSWSA-N 2 2 335.495 3.878 10 0 EHAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000248754541 1028947049 /nfs/dbraw/zinc/94/70/49/1028947049.db2.gz VMGBGBOEIQUJDJ-PWSUYJOCSA-N 2 2 344.406 3.750 10 0 EHAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000248754541 1028947061 /nfs/dbraw/zinc/94/70/61/1028947061.db2.gz VMGBGBOEIQUJDJ-PWSUYJOCSA-N 2 2 344.406 3.750 10 0 EHAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(OC)c(Br)c1)C1CCCC1 ZINC000038052136 202093968 /nfs/dbraw/zinc/09/39/68/202093968.db2.gz RVKHXZJWCMTRJH-HNNXBMFYSA-N 2 2 341.293 3.722 10 0 EHAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(OC)c(Br)c1)C1CCCC1 ZINC000038052136 202093971 /nfs/dbraw/zinc/09/39/71/202093971.db2.gz RVKHXZJWCMTRJH-HNNXBMFYSA-N 2 2 341.293 3.722 10 0 EHAELP Cc1ccc(-c2cc(NCC[NH+]3CCOCC3)c3ccccc3[nH+]2)cc1 ZINC000028641097 202173816 /nfs/dbraw/zinc/17/38/16/202173816.db2.gz VSBCFBWXRWFQDA-UHFFFAOYSA-N 2 2 347.462 3.954 10 0 EHAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(Br)cc1 ZINC000019960397 212090583 /nfs/dbraw/zinc/09/05/83/212090583.db2.gz NEZQTWHQBGJCKQ-HZPDHXFCSA-N 2 2 325.294 3.974 10 0 EHAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(Br)cc1 ZINC000019960397 212090585 /nfs/dbraw/zinc/09/05/85/212090585.db2.gz NEZQTWHQBGJCKQ-HZPDHXFCSA-N 2 2 325.294 3.974 10 0 EHAELP C[N@H+]([C@@H](C[NH3+])c1cc(Br)ccc1F)C1CCCCC1 ZINC000019439712 212028491 /nfs/dbraw/zinc/02/84/91/212028491.db2.gz UNUPCBGVYDOFEV-HNNXBMFYSA-N 2 2 329.257 3.853 10 0 EHAELP C[N@@H+]([C@@H](C[NH3+])c1cc(Br)ccc1F)C1CCCCC1 ZINC000019439712 212028493 /nfs/dbraw/zinc/02/84/93/212028493.db2.gz UNUPCBGVYDOFEV-HNNXBMFYSA-N 2 2 329.257 3.853 10 0 EHAELP CC(C)[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000053032138 206387213 /nfs/dbraw/zinc/38/72/13/206387213.db2.gz CHBOQWVTANDPRX-KBPBESRZSA-N 2 2 325.294 3.830 10 0 EHAELP CC(C)[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000053032138 206387215 /nfs/dbraw/zinc/38/72/15/206387215.db2.gz CHBOQWVTANDPRX-KBPBESRZSA-N 2 2 325.294 3.830 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000173422873 1031088554 /nfs/dbraw/zinc/08/85/54/1031088554.db2.gz GBIOMYXGWZUYEB-SIFCLUCFSA-N 2 2 345.437 3.921 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000173422873 1031088572 /nfs/dbraw/zinc/08/85/72/1031088572.db2.gz GBIOMYXGWZUYEB-SIFCLUCFSA-N 2 2 345.437 3.921 10 0 EHAELP CCOCC[N@H+](CC)[C@H](c1ccc(Br)s1)[C@@H]([NH3+])CC ZINC000104189616 219359063 /nfs/dbraw/zinc/35/90/63/219359063.db2.gz YRHJPQHLBGMHGW-FZMZJTMJSA-N 2 2 349.338 3.647 10 0 EHAELP CCOCC[N@@H+](CC)[C@H](c1ccc(Br)s1)[C@@H]([NH3+])CC ZINC000104189616 219359064 /nfs/dbraw/zinc/35/90/64/219359064.db2.gz YRHJPQHLBGMHGW-FZMZJTMJSA-N 2 2 349.338 3.647 10 0 EHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)[C@@H]1CCSC1 ZINC000043020427 204199197 /nfs/dbraw/zinc/19/91/97/204199197.db2.gz ILGKMFLQURPEHO-ILXRZTDVSA-N 2 2 343.334 3.665 10 0 EHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043020427 204199199 /nfs/dbraw/zinc/19/91/99/204199199.db2.gz ILGKMFLQURPEHO-ILXRZTDVSA-N 2 2 343.334 3.665 10 0 EHAELP Cc1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)nc2ccccc12 ZINC000071911964 563591353 /nfs/dbraw/zinc/59/13/53/563591353.db2.gz NBIVRSNACJSAPY-QGZVFWFLSA-N 2 2 349.482 3.923 10 0 EHAELP Cc1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)nc2ccccc12 ZINC000071911964 563591355 /nfs/dbraw/zinc/59/13/55/563591355.db2.gz NBIVRSNACJSAPY-QGZVFWFLSA-N 2 2 349.482 3.923 10 0 EHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c(C)nc3sc(C)cn23)C1 ZINC000122933887 1026865765 /nfs/dbraw/zinc/86/57/65/1026865765.db2.gz YAPWVRRJQMBBAO-HNNXBMFYSA-N 2 2 343.500 3.609 10 0 EHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c(C)nc3sc(C)cn23)C1 ZINC000122933887 1026865771 /nfs/dbraw/zinc/86/57/71/1026865771.db2.gz YAPWVRRJQMBBAO-HNNXBMFYSA-N 2 2 343.500 3.609 10 0 EHAELP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247167343 1028753972 /nfs/dbraw/zinc/75/39/72/1028753972.db2.gz UMKNEEJUIXISMN-QIIPPGSGSA-N 2 2 344.528 3.716 10 0 EHAELP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247167343 1028753987 /nfs/dbraw/zinc/75/39/87/1028753987.db2.gz UMKNEEJUIXISMN-QIIPPGSGSA-N 2 2 344.528 3.716 10 0 EHAELP CC(C)C[N@H+]([C@@H](C[NH3+])c1ccc(Br)cc1F)C1CC1 ZINC000042555415 204105765 /nfs/dbraw/zinc/10/57/65/204105765.db2.gz WVOXRNNRPHAFSS-HNNXBMFYSA-N 2 2 329.257 3.708 10 0 EHAELP CC(C)C[N@@H+]([C@@H](C[NH3+])c1ccc(Br)cc1F)C1CC1 ZINC000042555415 204105766 /nfs/dbraw/zinc/10/57/66/204105766.db2.gz WVOXRNNRPHAFSS-HNNXBMFYSA-N 2 2 329.257 3.708 10 0 EHAELP CC(C)C[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1F ZINC000042563458 204109072 /nfs/dbraw/zinc/10/90/72/204109072.db2.gz UQZUKMFYCHYFLM-ABAIWWIYSA-N 2 2 331.273 3.954 10 0 EHAELP CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1F ZINC000042563458 204109074 /nfs/dbraw/zinc/10/90/74/204109074.db2.gz UQZUKMFYCHYFLM-ABAIWWIYSA-N 2 2 331.273 3.954 10 0 EHAELP CC[C@H]([NH3+])[C@@H](c1ccccc1Br)[N@H+](C)[C@@H](C)C1CC1 ZINC000043091723 204211588 /nfs/dbraw/zinc/21/15/88/204211588.db2.gz WCYZVWVYIWHFCA-KNXALSJPSA-N 2 2 325.294 3.958 10 0 EHAELP CC[C@H]([NH3+])[C@@H](c1ccccc1Br)[N@@H+](C)[C@@H](C)C1CC1 ZINC000043091723 204211589 /nfs/dbraw/zinc/21/15/89/204211589.db2.gz WCYZVWVYIWHFCA-KNXALSJPSA-N 2 2 325.294 3.958 10 0 EHAELP C[C@@H]1CC[N@H+](Cc2cc(Br)cs2)C[C@H]1n1cc[nH+]c1 ZINC000245566095 1028852492 /nfs/dbraw/zinc/85/24/92/1028852492.db2.gz DYMCZECHTDQWEB-BXUZGUMPSA-N 2 2 340.290 3.790 10 0 EHAELP C[C@@H]1CC[N@@H+](Cc2cc(Br)cs2)C[C@H]1n1cc[nH+]c1 ZINC000245566095 1028852495 /nfs/dbraw/zinc/85/24/95/1028852495.db2.gz DYMCZECHTDQWEB-BXUZGUMPSA-N 2 2 340.290 3.790 10 0 EHAELP CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccnc1 ZINC000248532605 1028886004 /nfs/dbraw/zinc/88/60/04/1028886004.db2.gz YNYADOQBNRFFEG-QMMLZNLJSA-N 2 2 338.499 3.818 10 0 EHAELP CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccnc1 ZINC000248532605 1028886020 /nfs/dbraw/zinc/88/60/20/1028886020.db2.gz YNYADOQBNRFFEG-QMMLZNLJSA-N 2 2 338.499 3.818 10 0 EHAELP CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccnc1 ZINC000248532607 1028886413 /nfs/dbraw/zinc/88/64/13/1028886413.db2.gz YNYADOQBNRFFEG-UIFIKXQLSA-N 2 2 338.499 3.818 10 0 EHAELP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccnc1 ZINC000248532607 1028886432 /nfs/dbraw/zinc/88/64/32/1028886432.db2.gz YNYADOQBNRFFEG-UIFIKXQLSA-N 2 2 338.499 3.818 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000173422886 1031088870 /nfs/dbraw/zinc/08/88/70/1031088870.db2.gz GBIOMYXGWZUYEB-AVYPCKFXSA-N 2 2 345.437 3.921 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000173422886 1031088891 /nfs/dbraw/zinc/08/88/91/1031088891.db2.gz GBIOMYXGWZUYEB-AVYPCKFXSA-N 2 2 345.437 3.921 10 0 EHAELP Cc1ccc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3F)CC2)[nH+]c1 ZINC000163458928 1043948770 /nfs/dbraw/zinc/94/87/70/1043948770.db2.gz XLFALPKBGHATEL-CQSZACIVSA-N 2 2 331.410 3.988 10 0 EHAELP CC[NH2+][C@@H](CC[NH+]1CCSCC1)c1cccc(Br)c1 ZINC000053938636 214206612 /nfs/dbraw/zinc/20/66/12/214206612.db2.gz CPXBTYAJGHXUHL-HNNXBMFYSA-N 2 2 343.334 3.539 10 0 EHAELP c1ccc(NCCCOc2cccc(C[NH+]3CCCCC3)c2)[nH+]c1 ZINC000027525141 201386708 /nfs/dbraw/zinc/38/67/08/201386708.db2.gz YLLDMFNSWIGNPW-UHFFFAOYSA-N 2 2 325.456 3.949 10 0 EHAELP C[N@H+](Cc1csc(Br)c1)Cc1ccc(C[NH3+])cc1F ZINC000042360554 204089719 /nfs/dbraw/zinc/08/97/19/204089719.db2.gz GQALGJDEOSNPDT-UHFFFAOYSA-N 2 2 343.265 3.740 10 0 EHAELP C[N@@H+](Cc1csc(Br)c1)Cc1ccc(C[NH3+])cc1F ZINC000042360554 204089724 /nfs/dbraw/zinc/08/97/24/204089724.db2.gz GQALGJDEOSNPDT-UHFFFAOYSA-N 2 2 343.265 3.740 10 0 EHAELP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)o1 ZINC000328626247 258033052 /nfs/dbraw/zinc/03/30/52/258033052.db2.gz DXRPXXYFPBCPHU-QQDKQVRDSA-N 2 2 325.456 3.581 10 0 EHAELP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)o1 ZINC000328626247 258033053 /nfs/dbraw/zinc/03/30/53/258033053.db2.gz DXRPXXYFPBCPHU-QQDKQVRDSA-N 2 2 325.456 3.581 10 0 EHAELP C[NH2+]CCC[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000010435498 563648093 /nfs/dbraw/zinc/64/80/93/563648093.db2.gz JBFVUQXHIMJIBO-UHFFFAOYSA-N 2 2 348.874 3.627 10 0 EHAELP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247957777 1028832449 /nfs/dbraw/zinc/83/24/49/1028832449.db2.gz FUMUHWXLJAHILG-DEVSCXNHSA-N 2 2 335.495 3.815 10 0 EHAELP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247957777 1028832465 /nfs/dbraw/zinc/83/24/65/1028832465.db2.gz FUMUHWXLJAHILG-DEVSCXNHSA-N 2 2 335.495 3.815 10 0 EHAELP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248624126 1028927605 /nfs/dbraw/zinc/92/76/05/1028927605.db2.gz CFLKZXLJDQZGPF-HLLBOEOZSA-N 2 2 345.512 3.713 10 0 EHAELP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248624126 1028927627 /nfs/dbraw/zinc/92/76/27/1028927627.db2.gz CFLKZXLJDQZGPF-HLLBOEOZSA-N 2 2 345.512 3.713 10 0 EHAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812722 1030523592 /nfs/dbraw/zinc/52/35/92/1030523592.db2.gz VOHLCTUNTMZYKO-AWEZNQCLSA-N 2 2 347.894 3.526 10 0 EHAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812722 1030523611 /nfs/dbraw/zinc/52/36/11/1030523611.db2.gz VOHLCTUNTMZYKO-AWEZNQCLSA-N 2 2 347.894 3.526 10 0 EHAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000108373288 1037646431 /nfs/dbraw/zinc/64/64/31/1037646431.db2.gz XVSNZCVIYAGXGZ-UHFFFAOYSA-N 2 2 342.468 3.591 10 0 EHAELP [NH3+][C@H]1CCCO[C@H]1C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000333718094 1138325153 /nfs/dbraw/zinc/32/51/53/1138325153.db2.gz UCMJPWNCMADJBZ-LPHOPBHVSA-N 2 2 345.874 3.611 10 0 EHAELP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000042580368 204109946 /nfs/dbraw/zinc/10/99/46/204109946.db2.gz NHDQRWYSMIBJLX-OAHLLOKOSA-N 2 2 329.257 3.708 10 0 EHAELP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000042580368 204109950 /nfs/dbraw/zinc/10/99/50/204109950.db2.gz NHDQRWYSMIBJLX-OAHLLOKOSA-N 2 2 329.257 3.708 10 0 EHAELP c1csc(Cn2cccc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597008 1030639864 /nfs/dbraw/zinc/63/98/64/1030639864.db2.gz DXOBTPUOADSTBJ-KRWDZBQOSA-N 2 2 329.513 3.516 10 0 EHAELP c1csc(Cn2cccc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597008 1030639870 /nfs/dbraw/zinc/63/98/70/1030639870.db2.gz DXOBTPUOADSTBJ-KRWDZBQOSA-N 2 2 329.513 3.516 10 0 EHAELP C[C@@H]([N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1F)C(C)(C)C ZINC000042741610 204142048 /nfs/dbraw/zinc/14/20/48/204142048.db2.gz REEXFJBJUVATDK-YGRLFVJLSA-N 2 2 331.273 3.954 10 0 EHAELP C[C@@H]([N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1F)C(C)(C)C ZINC000042741610 204142052 /nfs/dbraw/zinc/14/20/52/204142052.db2.gz REEXFJBJUVATDK-YGRLFVJLSA-N 2 2 331.273 3.954 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1F ZINC000153482283 1027989617 /nfs/dbraw/zinc/98/96/17/1027989617.db2.gz PWWNKDFFIVRAMK-GUXCAODWSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1F ZINC000153482283 1027989633 /nfs/dbraw/zinc/98/96/33/1027989633.db2.gz PWWNKDFFIVRAMK-GUXCAODWSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000245453717 1028711330 /nfs/dbraw/zinc/71/13/30/1028711330.db2.gz GBIOMYXGWZUYEB-QEEYODRMSA-N 2 2 345.437 3.921 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000245453717 1028711342 /nfs/dbraw/zinc/71/13/42/1028711342.db2.gz GBIOMYXGWZUYEB-QEEYODRMSA-N 2 2 345.437 3.921 10 0 EHAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000105875524 1037256067 /nfs/dbraw/zinc/25/60/67/1037256067.db2.gz GOYRDJDAMAZDJG-UHFFFAOYSA-N 2 2 336.439 3.530 10 0 EHAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C2CCCCC2)cc1Br ZINC000038052062 202094243 /nfs/dbraw/zinc/09/42/43/202094243.db2.gz FUZSTIHLPSLPRW-HNNXBMFYSA-N 2 2 341.293 3.722 10 0 EHAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C2CCCCC2)cc1Br ZINC000038052062 202094247 /nfs/dbraw/zinc/09/42/47/202094247.db2.gz FUZSTIHLPSLPRW-HNNXBMFYSA-N 2 2 341.293 3.722 10 0 EHAELP C[N@@H+](Cc1cc(Br)cs1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000042402387 204090946 /nfs/dbraw/zinc/09/09/46/204090946.db2.gz WNLRFMNHYGMZKR-AWEZNQCLSA-N 2 2 339.302 3.512 10 0 EHAELP C[N@H+](Cc1cc(Br)cs1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000042402387 204090949 /nfs/dbraw/zinc/09/09/49/204090949.db2.gz WNLRFMNHYGMZKR-AWEZNQCLSA-N 2 2 339.302 3.512 10 0 EHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c(C)nc3sc(C)cn23)C1 ZINC000122933711 1026865544 /nfs/dbraw/zinc/86/55/44/1026865544.db2.gz YAPWVRRJQMBBAO-OAHLLOKOSA-N 2 2 343.500 3.609 10 0 EHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c(C)nc3sc(C)cn23)C1 ZINC000122933711 1026865555 /nfs/dbraw/zinc/86/55/55/1026865555.db2.gz YAPWVRRJQMBBAO-OAHLLOKOSA-N 2 2 343.500 3.609 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000247979445 1028835780 /nfs/dbraw/zinc/83/57/80/1028835780.db2.gz IFMGLUXQRKFBGD-YSZBQJHXSA-N 2 2 349.522 3.903 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000247979445 1028835797 /nfs/dbraw/zinc/83/57/97/1028835797.db2.gz IFMGLUXQRKFBGD-YSZBQJHXSA-N 2 2 349.522 3.903 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(F)c1 ZINC000248052241 1028841869 /nfs/dbraw/zinc/84/18/69/1028841869.db2.gz WQTKCNGKVRDTIU-TWOQFEAHSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(F)c1 ZINC000248052241 1028841882 /nfs/dbraw/zinc/84/18/82/1028841882.db2.gz WQTKCNGKVRDTIU-TWOQFEAHSA-N 2 2 327.447 3.782 10 0 EHAELP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1nccn1C ZINC000245992748 1029552005 /nfs/dbraw/zinc/55/20/05/1029552005.db2.gz DLIXRDMXCNZIHF-WDSOQIARSA-N 2 2 326.488 3.514 10 0 EHAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nccn1C ZINC000245992748 1029552017 /nfs/dbraw/zinc/55/20/17/1029552017.db2.gz DLIXRDMXCNZIHF-WDSOQIARSA-N 2 2 326.488 3.514 10 0 EHAELP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1nc2ccccc2n1C ZINC000091312654 1030256623 /nfs/dbraw/zinc/25/66/23/1030256623.db2.gz UKILBYKAVQLFTM-MRXNPFEDSA-N 2 2 340.515 3.879 10 0 EHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2F)C1 ZINC000186989513 1035760398 /nfs/dbraw/zinc/76/03/98/1035760398.db2.gz ZOIHDCLXNXALII-OAHLLOKOSA-N 2 2 347.409 3.634 10 0 EHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)c2ccc(F)cc2F)C1 ZINC000186989513 1035760415 /nfs/dbraw/zinc/76/04/15/1035760415.db2.gz ZOIHDCLXNXALII-OAHLLOKOSA-N 2 2 347.409 3.634 10 0 EHAELP [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000333718095 1138325258 /nfs/dbraw/zinc/32/52/58/1138325258.db2.gz UCMJPWNCMADJBZ-QFBILLFUSA-N 2 2 345.874 3.611 10 0 EHAELP Cc1[nH+]c(-c2cccc(Cl)c2)nc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000070456330 202335221 /nfs/dbraw/zinc/33/52/21/202335221.db2.gz MXCNRMPZCKGEIL-AWEZNQCLSA-N 2 2 330.863 3.825 10 0 EHAELP CCc1c(C)[nH+]c(-c2cccc(Cl)c2)nc1N[C@@H]1CCC[NH2+]C1 ZINC000070456561 202335403 /nfs/dbraw/zinc/33/54/03/202335403.db2.gz VKYYZJDWBYXTJU-OAHLLOKOSA-N 2 2 330.863 3.832 10 0 EHAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000043090310 204211489 /nfs/dbraw/zinc/21/14/89/204211489.db2.gz ZQRWKJLXAQXVJJ-HZPDHXFCSA-N 2 2 325.294 3.959 10 0 EHAELP CC(C)CC[NH2+]C[C@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000053496894 207178064 /nfs/dbraw/zinc/17/80/64/207178064.db2.gz VIZRTHOSNZEAHX-AWEZNQCLSA-N 2 2 327.310 3.905 10 0 EHAELP CC(C)CC[NH2+]C[C@H](C)[N@@H+](C)Cc1cccc(Br)c1 ZINC000053496894 207178069 /nfs/dbraw/zinc/17/80/69/207178069.db2.gz VIZRTHOSNZEAHX-AWEZNQCLSA-N 2 2 327.310 3.905 10 0 EHAELP Cc1ccc(COc2cccc(C[NH2+]CCCn3cc[nH+]c3)c2)cc1 ZINC000010314124 563646933 /nfs/dbraw/zinc/64/69/33/563646933.db2.gz NVPFSYQVUQZMEI-UHFFFAOYSA-N 2 2 335.451 3.950 10 0 EHAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000184733163 1032306638 /nfs/dbraw/zinc/30/66/38/1032306638.db2.gz XXSGFZPTPKARJF-MRXNPFEDSA-N 2 2 349.425 3.519 10 0 EHAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000184733163 1032306646 /nfs/dbraw/zinc/30/66/46/1032306646.db2.gz XXSGFZPTPKARJF-MRXNPFEDSA-N 2 2 349.425 3.519 10 0 EHAELP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)CCCO2 ZINC000158011674 1031034293 /nfs/dbraw/zinc/03/42/93/1031034293.db2.gz GIZBEQJFWKGWEB-FQEVSTJZSA-N 2 2 346.515 3.688 10 0 EHAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000105875771 1037603915 /nfs/dbraw/zinc/60/39/15/1037603915.db2.gz NBRGEFAVTRQGEF-UHFFFAOYSA-N 2 2 342.468 3.591 10 0 EHAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3csc(C4CC4)n3)C2)[nH+]1 ZINC000163463376 1043948357 /nfs/dbraw/zinc/94/83/57/1043948357.db2.gz XWFIAKDBXBZOFW-CQSZACIVSA-N 2 2 328.485 3.658 10 0 EHAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3csc(C4CC4)n3)C2)[nH+]1 ZINC000163463376 1043948370 /nfs/dbraw/zinc/94/83/70/1043948370.db2.gz XWFIAKDBXBZOFW-CQSZACIVSA-N 2 2 328.485 3.658 10 0 EHAELP Cc1cc(NC2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000070451763 203075231 /nfs/dbraw/zinc/07/52/31/203075231.db2.gz UKXSIWLKFZVNKW-UHFFFAOYSA-N 2 2 336.361 3.635 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000126125764 1027166070 /nfs/dbraw/zinc/16/60/70/1027166070.db2.gz IFMGLUXQRKFBGD-LEOXJPRUSA-N 2 2 349.522 3.903 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000126125764 1027166083 /nfs/dbraw/zinc/16/60/83/1027166083.db2.gz IFMGLUXQRKFBGD-LEOXJPRUSA-N 2 2 349.522 3.903 10 0 EHAELP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246947787 1028714294 /nfs/dbraw/zinc/71/42/94/1028714294.db2.gz JFMNJQLFUFWZCN-MXTUWINDSA-N 2 2 335.495 3.985 10 0 EHAELP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246947787 1028714308 /nfs/dbraw/zinc/71/43/08/1028714308.db2.gz JFMNJQLFUFWZCN-MXTUWINDSA-N 2 2 335.495 3.985 10 0 EHAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccn3Cc3cccs3)CC[C@@H]21 ZINC000092043096 1030365017 /nfs/dbraw/zinc/36/50/17/1030365017.db2.gz QEXWMVDEMIIQER-APWZRJJASA-N 2 2 329.513 3.514 10 0 EHAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccn3Cc3cccs3)CC[C@@H]21 ZINC000092043096 1030365033 /nfs/dbraw/zinc/36/50/33/1030365033.db2.gz QEXWMVDEMIIQER-APWZRJJASA-N 2 2 329.513 3.514 10 0 EHAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccn3Cc3cccs3)CC[C@@H]21 ZINC000092043096 1030365048 /nfs/dbraw/zinc/36/50/48/1030365048.db2.gz QEXWMVDEMIIQER-APWZRJJASA-N 2 2 329.513 3.514 10 0 EHAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccn3Cc3cccs3)CC[C@@H]21 ZINC000092043096 1030365070 /nfs/dbraw/zinc/36/50/70/1030365070.db2.gz QEXWMVDEMIIQER-APWZRJJASA-N 2 2 329.513 3.514 10 0 EHAELP CC(C)[NH2+]CCCc1[nH]cc(-c2ccc(Br)s2)[nH+]1 ZINC000038002444 213187585 /nfs/dbraw/zinc/18/75/85/213187585.db2.gz DRUUGRSQDZKKKS-UHFFFAOYSA-N 2 2 328.279 3.831 10 0 EHAELP C[N@H+](CCc1ccc(F)c(F)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328651980 258021039 /nfs/dbraw/zinc/02/10/39/258021039.db2.gz WFSAJDLWIAIZPX-PXNSSMCTSA-N 2 2 345.437 3.527 10 0 EHAELP C[N@@H+](CCc1ccc(F)c(F)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328651980 258021041 /nfs/dbraw/zinc/02/10/41/258021041.db2.gz WFSAJDLWIAIZPX-PXNSSMCTSA-N 2 2 345.437 3.527 10 0 EHAELP C[NH+](CCc1ccc(F)c(F)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328651980 258021042 /nfs/dbraw/zinc/02/10/42/258021042.db2.gz WFSAJDLWIAIZPX-PXNSSMCTSA-N 2 2 345.437 3.527 10 0 EHAELP C[NH+](CCc1ccc(F)c(F)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328651980 258021044 /nfs/dbraw/zinc/02/10/44/258021044.db2.gz WFSAJDLWIAIZPX-PXNSSMCTSA-N 2 2 345.437 3.527 10 0 EHAELP Cc1cc(Cl)ccc1C[N@H+](Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000328649354 564137194 /nfs/dbraw/zinc/13/71/94/564137194.db2.gz VAMLMQLUYLHDOV-IBGZPJMESA-N 2 2 344.890 3.583 10 0 EHAELP Cc1cc(Cl)ccc1C[N@@H+](Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000328649354 564137195 /nfs/dbraw/zinc/13/71/95/564137195.db2.gz VAMLMQLUYLHDOV-IBGZPJMESA-N 2 2 344.890 3.583 10 0 EHAELP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CC2 ZINC000248132650 1028848977 /nfs/dbraw/zinc/84/89/77/1028848977.db2.gz OQVGQEFKZGJDPC-VOQZNFBZSA-N 2 2 335.495 3.878 10 0 EHAELP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CC2 ZINC000248132650 1028848997 /nfs/dbraw/zinc/84/89/97/1028848997.db2.gz OQVGQEFKZGJDPC-VOQZNFBZSA-N 2 2 335.495 3.878 10 0 EHAELP C[N@@H+](Cc1ccccc1Br)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000053876388 214202293 /nfs/dbraw/zinc/20/22/93/214202293.db2.gz XALDCKLBBMIODR-HOCLYGCPSA-N 2 2 325.294 3.789 10 0 EHAELP C[N@H+](Cc1ccccc1Br)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000053876388 214202296 /nfs/dbraw/zinc/20/22/96/214202296.db2.gz XALDCKLBBMIODR-HOCLYGCPSA-N 2 2 325.294 3.789 10 0 EHAELP CC[C@@H](C)[N@H+](CC)[C@@H](C[NH3+])c1cc(Br)ccc1OC ZINC000037112675 213133501 /nfs/dbraw/zinc/13/35/01/213133501.db2.gz MZPRCMQAJQRUGJ-RISCZKNCSA-N 2 2 329.282 3.578 10 0 EHAELP CC[C@@H](C)[N@@H+](CC)[C@@H](C[NH3+])c1cc(Br)ccc1OC ZINC000037112675 213133503 /nfs/dbraw/zinc/13/35/03/213133503.db2.gz MZPRCMQAJQRUGJ-RISCZKNCSA-N 2 2 329.282 3.578 10 0 EHAELP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)cc1Br ZINC000020047925 212097809 /nfs/dbraw/zinc/09/78/09/212097809.db2.gz LUYMBCIPSGWAOS-ZDUSSCGKSA-N 2 2 343.284 3.942 10 0 EHAELP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)cc1Br ZINC000020047925 212097810 /nfs/dbraw/zinc/09/78/10/212097810.db2.gz LUYMBCIPSGWAOS-ZDUSSCGKSA-N 2 2 343.284 3.942 10 0 EHAELP Cc1cn2c([nH+]1)[C@H](C[NH2+]CC1=Cc3cc(Cl)ccc3OC1)CCC2 ZINC000089702096 217829506 /nfs/dbraw/zinc/82/95/06/217829506.db2.gz FJGQVNIDSDZADH-HNNXBMFYSA-N 2 2 343.858 3.788 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1F ZINC000248029004 1028841033 /nfs/dbraw/zinc/84/10/33/1028841033.db2.gz PWWNKDFFIVRAMK-GQIGUUNPSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1F ZINC000248029004 1028841054 /nfs/dbraw/zinc/84/10/54/1028841054.db2.gz PWWNKDFFIVRAMK-GQIGUUNPSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248184829 1028858472 /nfs/dbraw/zinc/85/84/72/1028858472.db2.gz XDGOZKASLCHJGE-JZXOWHBKSA-N 2 2 335.561 3.802 10 0 EHAELP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248184829 1028858485 /nfs/dbraw/zinc/85/84/85/1028858485.db2.gz XDGOZKASLCHJGE-JZXOWHBKSA-N 2 2 335.561 3.802 10 0 EHAELP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000182062577 1032055879 /nfs/dbraw/zinc/05/58/79/1032055879.db2.gz OKKZSBJXEIEWML-JQVVWYNYSA-N 2 2 337.511 3.760 10 0 EHAELP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000182062577 1032055891 /nfs/dbraw/zinc/05/58/91/1032055891.db2.gz OKKZSBJXEIEWML-JQVVWYNYSA-N 2 2 337.511 3.760 10 0 EHAELP C[N@@H+]1CCc2c(sc3c2C[NH2+][C@H](c2ccccc2)c2cccn2-3)C1 ZINC000049454575 214009015 /nfs/dbraw/zinc/00/90/15/214009015.db2.gz SDQOOLCJIFGBES-LJQANCHMSA-N 2 2 335.476 3.719 10 0 EHAELP C[N@H+]1CCc2c(sc3c2C[NH2+][C@H](c2ccccc2)c2cccn2-3)C1 ZINC000049454575 214009020 /nfs/dbraw/zinc/00/90/20/214009020.db2.gz SDQOOLCJIFGBES-LJQANCHMSA-N 2 2 335.476 3.719 10 0 EHAELP C[C@@H]([NH3+])[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](C)CC1 ZINC000104360788 219378916 /nfs/dbraw/zinc/37/89/16/219378916.db2.gz WAEWBUWQXSMLQS-XJKCOSOUSA-N 2 2 325.294 3.959 10 0 EHAELP C[C@@H]([NH3+])[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H](C)CC1 ZINC000104360788 219378918 /nfs/dbraw/zinc/37/89/18/219378918.db2.gz WAEWBUWQXSMLQS-XJKCOSOUSA-N 2 2 325.294 3.959 10 0 EHAELP CC1(C)CC(Nc2nc[nH+]c(Nc3ccccc3)c2N)CC(C)(C)[NH2+]1 ZINC000040760736 213385315 /nfs/dbraw/zinc/38/53/15/213385315.db2.gz AAUBVGROBIESJR-UHFFFAOYSA-N 2 2 340.475 3.524 10 0 EHAELP CC1(C)CC(Nc2[nH+]cnc(Nc3ccccc3)c2N)CC(C)(C)[NH2+]1 ZINC000040760736 213385317 /nfs/dbraw/zinc/38/53/17/213385317.db2.gz AAUBVGROBIESJR-UHFFFAOYSA-N 2 2 340.475 3.524 10 0 EHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104415165 219385015 /nfs/dbraw/zinc/38/50/15/219385015.db2.gz BPTMPQDKTXZSOI-MZGVZZPPSA-N 2 2 325.294 3.815 10 0 EHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104415165 219385019 /nfs/dbraw/zinc/38/50/19/219385019.db2.gz BPTMPQDKTXZSOI-MZGVZZPPSA-N 2 2 325.294 3.815 10 0 EHAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104415168 219384535 /nfs/dbraw/zinc/38/45/35/219384535.db2.gz BPTMPQDKTXZSOI-YUDUHTQSSA-N 2 2 325.294 3.815 10 0 EHAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104415168 219384537 /nfs/dbraw/zinc/38/45/37/219384537.db2.gz BPTMPQDKTXZSOI-YUDUHTQSSA-N 2 2 325.294 3.815 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000245453716 1028711959 /nfs/dbraw/zinc/71/19/59/1028711959.db2.gz GBIOMYXGWZUYEB-AUSJPIAWSA-N 2 2 345.437 3.921 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000245453716 1028711976 /nfs/dbraw/zinc/71/19/76/1028711976.db2.gz GBIOMYXGWZUYEB-AUSJPIAWSA-N 2 2 345.437 3.921 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000247923446 1028827575 /nfs/dbraw/zinc/82/75/75/1028827575.db2.gz BJZHDDREPHDKOD-AUSJPIAWSA-N 2 2 345.437 3.921 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000247923446 1028827597 /nfs/dbraw/zinc/82/75/97/1028827597.db2.gz BJZHDDREPHDKOD-AUSJPIAWSA-N 2 2 345.437 3.921 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)nc1 ZINC000245613744 1028926076 /nfs/dbraw/zinc/92/60/76/1028926076.db2.gz KSWXELMSKYJSFZ-RVKKMQEKSA-N 2 2 344.890 3.691 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)nc1 ZINC000245613744 1028926087 /nfs/dbraw/zinc/92/60/87/1028926087.db2.gz KSWXELMSKYJSFZ-RVKKMQEKSA-N 2 2 344.890 3.691 10 0 EHAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1nccn1C ZINC000245992745 1029552095 /nfs/dbraw/zinc/55/20/95/1029552095.db2.gz DLIXRDMXCNZIHF-UHOSZYNNSA-N 2 2 326.488 3.514 10 0 EHAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nccn1C ZINC000245992745 1029552103 /nfs/dbraw/zinc/55/21/03/1029552103.db2.gz DLIXRDMXCNZIHF-UHOSZYNNSA-N 2 2 326.488 3.514 10 0 EHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccn1Cc1cccs1 ZINC000180121093 1031804501 /nfs/dbraw/zinc/80/45/01/1031804501.db2.gz IENRVGZJJLOJFZ-QGZVFWFLSA-N 2 2 340.496 3.767 10 0 EHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccn1Cc1cccs1 ZINC000180121093 1031804506 /nfs/dbraw/zinc/80/45/06/1031804506.db2.gz IENRVGZJJLOJFZ-QGZVFWFLSA-N 2 2 340.496 3.767 10 0 EHAELP O=C(c1ccc(Cl)cc1)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000193477690 1036690362 /nfs/dbraw/zinc/69/03/62/1036690362.db2.gz ITNZXOWTWHIXBO-UHFFFAOYSA-N 2 2 334.891 3.721 10 0 EHAELP [NH3+][C@H]1CC[C@H](Nc2[nH+]c3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000100278616 219096002 /nfs/dbraw/zinc/09/60/02/219096002.db2.gz ULZSQJZNNOIACJ-CALCHBBNSA-N 2 2 338.430 3.906 10 0 EHAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C2CCCCC2)cc1Br ZINC000038052063 213198579 /nfs/dbraw/zinc/19/85/79/213198579.db2.gz FUZSTIHLPSLPRW-OAHLLOKOSA-N 2 2 341.293 3.722 10 0 EHAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C2CCCCC2)cc1Br ZINC000038052063 213198582 /nfs/dbraw/zinc/19/85/82/213198582.db2.gz FUZSTIHLPSLPRW-OAHLLOKOSA-N 2 2 341.293 3.722 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1F ZINC000248029009 1028840749 /nfs/dbraw/zinc/84/07/49/1028840749.db2.gz PWWNKDFFIVRAMK-TWOQFEAHSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1F ZINC000248029009 1028840770 /nfs/dbraw/zinc/84/07/70/1028840770.db2.gz PWWNKDFFIVRAMK-TWOQFEAHSA-N 2 2 327.447 3.782 10 0 EHAELP [NH3+]C1CCC(c2[nH]cc(-c3ccc(Br)s3)[nH+]2)CC1 ZINC000038002439 213187838 /nfs/dbraw/zinc/18/78/38/213187838.db2.gz GJJOQLRQMSHKAI-UHFFFAOYSA-N 2 2 326.263 3.886 10 0 EHAELP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccc(F)c3F)CC2)[nH+]c1 ZINC000183270819 1032188479 /nfs/dbraw/zinc/18/84/79/1032188479.db2.gz AKYFADNTYOOWHS-AWEZNQCLSA-N 2 2 331.410 3.988 10 0 EHAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccn3Cc3cccs3)CC[C@H]21 ZINC000246780249 1028688936 /nfs/dbraw/zinc/68/89/36/1028688936.db2.gz QEXWMVDEMIIQER-QFBILLFUSA-N 2 2 329.513 3.514 10 0 EHAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccn3Cc3cccs3)CC[C@H]21 ZINC000246780249 1028688950 /nfs/dbraw/zinc/68/89/50/1028688950.db2.gz QEXWMVDEMIIQER-QFBILLFUSA-N 2 2 329.513 3.514 10 0 EHAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccn3Cc3cccs3)CC[C@H]21 ZINC000246780249 1028688959 /nfs/dbraw/zinc/68/89/59/1028688959.db2.gz QEXWMVDEMIIQER-QFBILLFUSA-N 2 2 329.513 3.514 10 0 EHAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccn3Cc3cccs3)CC[C@H]21 ZINC000246780249 1028688968 /nfs/dbraw/zinc/68/89/68/1028688968.db2.gz QEXWMVDEMIIQER-QFBILLFUSA-N 2 2 329.513 3.514 10 0 EHAELP COCCC1(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCCCC1 ZINC000188322413 1035908775 /nfs/dbraw/zinc/90/87/75/1035908775.db2.gz PYEZSUMBRHYDQK-SFHVURJKSA-N 2 2 333.520 3.662 10 0 EHAELP COCCC1(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCCCC1 ZINC000188322413 1035908793 /nfs/dbraw/zinc/90/87/93/1035908793.db2.gz PYEZSUMBRHYDQK-SFHVURJKSA-N 2 2 333.520 3.662 10 0 EHAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000106163167 1037608698 /nfs/dbraw/zinc/60/86/98/1037608698.db2.gz YMFOEFHMTZECAT-UHFFFAOYSA-N 2 2 344.528 3.989 10 0 EHAELP C[N@@H+]1CCCC[C@H]1CC[NH2+]Cc1cc(Br)ccc1F ZINC000052205838 214122526 /nfs/dbraw/zinc/12/25/26/214122526.db2.gz CHDSMIVTPXVLHL-AWEZNQCLSA-N 2 2 329.257 3.552 10 0 EHAELP C[N@H+]1CCCC[C@H]1CC[NH2+]Cc1cc(Br)ccc1F ZINC000052205838 214122528 /nfs/dbraw/zinc/12/25/28/214122528.db2.gz CHDSMIVTPXVLHL-AWEZNQCLSA-N 2 2 329.257 3.552 10 0 EHAELP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](C)Cc1ccccc1Br ZINC000053876341 214202697 /nfs/dbraw/zinc/20/26/97/214202697.db2.gz POVLGFPGZXYVJI-GDBMZVCRSA-N 2 2 325.294 3.659 10 0 EHAELP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1Br ZINC000053876341 214202699 /nfs/dbraw/zinc/20/26/99/214202699.db2.gz POVLGFPGZXYVJI-GDBMZVCRSA-N 2 2 325.294 3.659 10 0 EHAELP C[N@@H+](Cc1ccc2ccccc2n1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328620770 258035470 /nfs/dbraw/zinc/03/54/70/258035470.db2.gz ACHGZEOSATXNRZ-UGKGYDQZSA-N 2 2 346.478 3.755 10 0 EHAELP C[N@H+](Cc1ccc2ccccc2n1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328620770 258035472 /nfs/dbraw/zinc/03/54/72/258035472.db2.gz ACHGZEOSATXNRZ-UGKGYDQZSA-N 2 2 346.478 3.755 10 0 EHAELP C[NH+](Cc1ccc2ccccc2n1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328620770 258035473 /nfs/dbraw/zinc/03/54/73/258035473.db2.gz ACHGZEOSATXNRZ-UGKGYDQZSA-N 2 2 346.478 3.755 10 0 EHAELP C[NH+](Cc1ccc2ccccc2n1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328620770 258035475 /nfs/dbraw/zinc/03/54/75/258035475.db2.gz ACHGZEOSATXNRZ-UGKGYDQZSA-N 2 2 346.478 3.755 10 0 EHAELP C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246556269 1028657594 /nfs/dbraw/zinc/65/75/94/1028657594.db2.gz WXIMLDAWHZZFLM-WDYCEAGBSA-N 2 2 343.496 3.578 10 0 EHAELP [NH3+][C@H]1CC[C@H](Nc2[nH+]c3ccccc3n2Cc2ccccc2F)CC1 ZINC000100278652 219095975 /nfs/dbraw/zinc/09/59/75/219095975.db2.gz YXRFCYISJKRMDK-IYBDPMFKSA-N 2 2 338.430 3.906 10 0 EHAELP CC(=O)c1ccc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cc1 ZINC000072467885 216248023 /nfs/dbraw/zinc/24/80/23/216248023.db2.gz MRBQPEXMPUPHPN-UHFFFAOYSA-N 2 2 349.478 3.919 10 0 EHAELP CC(=O)c1ccc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cc1 ZINC000072467885 216248026 /nfs/dbraw/zinc/24/80/26/216248026.db2.gz MRBQPEXMPUPHPN-UHFFFAOYSA-N 2 2 349.478 3.919 10 0 EHAELP C[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000251891531 1029168687 /nfs/dbraw/zinc/16/86/87/1029168687.db2.gz XEXIHENJMZQSRF-UXPWSPDFSA-N 2 2 338.499 3.514 10 0 EHAELP C[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000251891531 1029168698 /nfs/dbraw/zinc/16/86/98/1029168698.db2.gz XEXIHENJMZQSRF-UXPWSPDFSA-N 2 2 338.499 3.514 10 0 EHAELP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000252644075 1029216172 /nfs/dbraw/zinc/21/61/72/1029216172.db2.gz NKZNUOULBALHAF-ABSDTBQOSA-N 2 2 339.483 3.651 10 0 EHAELP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000252644075 1029216185 /nfs/dbraw/zinc/21/61/85/1029216185.db2.gz NKZNUOULBALHAF-ABSDTBQOSA-N 2 2 339.483 3.651 10 0 EHAELP Cc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000070456564 215694303 /nfs/dbraw/zinc/69/43/03/215694303.db2.gz CWCYREOETZKSSV-AWEZNQCLSA-N 2 2 336.361 3.635 10 0 EHAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(Br)cc1F)C1CCCC1 ZINC000035765560 213049217 /nfs/dbraw/zinc/04/92/17/213049217.db2.gz VJUVEFACNCXEHR-HNNXBMFYSA-N 2 2 329.257 3.853 10 0 EHAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(Br)cc1F)C1CCCC1 ZINC000035765560 213049219 /nfs/dbraw/zinc/04/92/19/213049219.db2.gz VJUVEFACNCXEHR-HNNXBMFYSA-N 2 2 329.257 3.853 10 0 EHAELP CCn1nc(C)c([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000120061350 523665741 /nfs/dbraw/zinc/66/57/41/523665741.db2.gz LPSLNDJONSVTAP-FTRWYGJKSA-N 2 2 340.515 3.833 10 0 EHAELP CCn1nc(C)c([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000120061350 523665755 /nfs/dbraw/zinc/66/57/55/523665755.db2.gz LPSLNDJONSVTAP-FTRWYGJKSA-N 2 2 340.515 3.833 10 0 EHAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccsc1)CC2 ZINC000275655656 564009751 /nfs/dbraw/zinc/00/97/51/564009751.db2.gz KWFMWYKHNXDOBR-HNNXBMFYSA-N 2 2 333.526 3.691 10 0 EHAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccsc1)CC2 ZINC000275655656 564009752 /nfs/dbraw/zinc/00/97/52/564009752.db2.gz KWFMWYKHNXDOBR-HNNXBMFYSA-N 2 2 333.526 3.691 10 0 EHAELP Cc1cc(Cl)ccc1C[N@H+](Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000328649355 564137156 /nfs/dbraw/zinc/13/71/56/564137156.db2.gz VAMLMQLUYLHDOV-LJQANCHMSA-N 2 2 344.890 3.583 10 0 EHAELP Cc1cc(Cl)ccc1C[N@@H+](Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000328649355 564137157 /nfs/dbraw/zinc/13/71/57/564137157.db2.gz VAMLMQLUYLHDOV-LJQANCHMSA-N 2 2 344.890 3.583 10 0 EHAELP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248624131 1028928968 /nfs/dbraw/zinc/92/89/68/1028928968.db2.gz CFLKZXLJDQZGPF-YQQAZPJKSA-N 2 2 345.512 3.713 10 0 EHAELP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248624131 1028928980 /nfs/dbraw/zinc/92/89/80/1028928980.db2.gz CFLKZXLJDQZGPF-YQQAZPJKSA-N 2 2 345.512 3.713 10 0 EHAELP CC(C)[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000053032139 214161239 /nfs/dbraw/zinc/16/12/39/214161239.db2.gz CHBOQWVTANDPRX-UONOGXRCSA-N 2 2 325.294 3.830 10 0 EHAELP CC(C)[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000053032139 214161241 /nfs/dbraw/zinc/16/12/41/214161241.db2.gz CHBOQWVTANDPRX-UONOGXRCSA-N 2 2 325.294 3.830 10 0 EHAELP C[N@H+](CC1CCCC1)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000104366282 219380680 /nfs/dbraw/zinc/38/06/80/219380680.db2.gz POXLJYQFVPIEAB-HNNXBMFYSA-N 2 2 329.257 3.710 10 0 EHAELP C[N@@H+](CC1CCCC1)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000104366282 219380683 /nfs/dbraw/zinc/38/06/83/219380683.db2.gz POXLJYQFVPIEAB-HNNXBMFYSA-N 2 2 329.257 3.710 10 0 EHAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(Br)ccc1F ZINC000035586460 213040466 /nfs/dbraw/zinc/04/04/66/213040466.db2.gz ZAQBQTIFJMPIKL-ZDUSSCGKSA-N 2 2 326.213 3.595 10 0 EHAELP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)o1 ZINC000328626244 258033127 /nfs/dbraw/zinc/03/31/27/258033127.db2.gz DXRPXXYFPBCPHU-CAUGKJMWSA-N 2 2 325.456 3.581 10 0 EHAELP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)o1 ZINC000328626244 258033128 /nfs/dbraw/zinc/03/31/28/258033128.db2.gz DXRPXXYFPBCPHU-CAUGKJMWSA-N 2 2 325.456 3.581 10 0 EHAELP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CC2 ZINC000126264191 1027178998 /nfs/dbraw/zinc/17/89/98/1027178998.db2.gz OQVGQEFKZGJDPC-MTNREXPMSA-N 2 2 335.495 3.878 10 0 EHAELP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CC2 ZINC000126264191 1027179009 /nfs/dbraw/zinc/17/90/09/1027179009.db2.gz OQVGQEFKZGJDPC-MTNREXPMSA-N 2 2 335.495 3.878 10 0 EHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccn1Cc1cccs1 ZINC000180121072 1031805076 /nfs/dbraw/zinc/80/50/76/1031805076.db2.gz IENRVGZJJLOJFZ-KRWDZBQOSA-N 2 2 340.496 3.767 10 0 EHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccn1Cc1cccs1 ZINC000180121072 1031805083 /nfs/dbraw/zinc/80/50/83/1031805083.db2.gz IENRVGZJJLOJFZ-KRWDZBQOSA-N 2 2 340.496 3.767 10 0 EHAELP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccccc2Cl)o1 ZINC000181070180 1031943573 /nfs/dbraw/zinc/94/35/73/1031943573.db2.gz LTYKKEYWACSMQH-UHFFFAOYSA-N 2 2 330.819 3.714 10 0 EHAELP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccccc2Cl)o1 ZINC000181070180 1031943587 /nfs/dbraw/zinc/94/35/87/1031943587.db2.gz LTYKKEYWACSMQH-UHFFFAOYSA-N 2 2 330.819 3.714 10 0 EHAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Br)cc1F ZINC000035586454 213040054 /nfs/dbraw/zinc/04/00/54/213040054.db2.gz ULGPHUCMJPQBAC-CYBMUJFWSA-N 2 2 326.213 3.595 10 0 EHAELP CCn1ncc(C[N@H+](C)Cc2ccc(C[NH+]3CCCC3)s2)c1C ZINC000215131456 241108295 /nfs/dbraw/zinc/10/82/95/241108295.db2.gz ALTFSIGVDYGZNZ-UHFFFAOYSA-N 2 2 332.517 3.501 10 0 EHAELP CCn1ncc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCC3)s2)c1C ZINC000215131456 241108309 /nfs/dbraw/zinc/10/83/09/241108309.db2.gz ALTFSIGVDYGZNZ-UHFFFAOYSA-N 2 2 332.517 3.501 10 0 EHAELP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247167360 1028754166 /nfs/dbraw/zinc/75/41/66/1028754166.db2.gz UMKNEEJUIXISMN-XUWXXGDYSA-N 2 2 344.528 3.716 10 0 EHAELP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247167360 1028754170 /nfs/dbraw/zinc/75/41/70/1028754170.db2.gz UMKNEEJUIXISMN-XUWXXGDYSA-N 2 2 344.528 3.716 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000247923452 1028827949 /nfs/dbraw/zinc/82/79/49/1028827949.db2.gz BJZHDDREPHDKOD-QEEYODRMSA-N 2 2 345.437 3.921 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000247923452 1028827959 /nfs/dbraw/zinc/82/79/59/1028827959.db2.gz BJZHDDREPHDKOD-QEEYODRMSA-N 2 2 345.437 3.921 10 0 EHAELP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247957781 1028831842 /nfs/dbraw/zinc/83/18/42/1028831842.db2.gz FUMUHWXLJAHILG-YAKVFXAGSA-N 2 2 335.495 3.815 10 0 EHAELP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247957781 1028831858 /nfs/dbraw/zinc/83/18/58/1028831858.db2.gz FUMUHWXLJAHILG-YAKVFXAGSA-N 2 2 335.495 3.815 10 0 EHAELP c1csc(Cn2cccc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683392 1030652831 /nfs/dbraw/zinc/65/28/31/1030652831.db2.gz TYZNSXIOPGEOAP-GOSISDBHSA-N 2 2 343.540 3.906 10 0 EHAELP c1csc(Cn2cccc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683392 1030652835 /nfs/dbraw/zinc/65/28/35/1030652835.db2.gz TYZNSXIOPGEOAP-GOSISDBHSA-N 2 2 343.540 3.906 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000177941382 1031594913 /nfs/dbraw/zinc/59/49/13/1031594913.db2.gz OBNAYNGKKVGKNO-AYOQOUSVSA-N 2 2 325.456 3.552 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000177941382 1031594926 /nfs/dbraw/zinc/59/49/26/1031594926.db2.gz OBNAYNGKKVGKNO-AYOQOUSVSA-N 2 2 325.456 3.552 10 0 EHAELP CCC[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000052371700 214126922 /nfs/dbraw/zinc/12/69/22/214126922.db2.gz JRQTZDHHSQUVQW-INIZCTEOSA-N 2 2 327.310 3.905 10 0 EHAELP CCC[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000052371700 214126924 /nfs/dbraw/zinc/12/69/24/214126924.db2.gz JRQTZDHHSQUVQW-INIZCTEOSA-N 2 2 327.310 3.905 10 0 EHAELP CC(C)(C)[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000053031572 214161007 /nfs/dbraw/zinc/16/10/07/214161007.db2.gz PSFBBLRRHBQTED-AWEZNQCLSA-N 2 2 325.294 3.659 10 0 EHAELP CC(C)(C)[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000053031572 214161010 /nfs/dbraw/zinc/16/10/10/214161010.db2.gz PSFBBLRRHBQTED-AWEZNQCLSA-N 2 2 325.294 3.659 10 0 EHAELP CC[NH2+][C@@H]1CCC[C@H]1C[N@H+](C)Cc1ccccc1Br ZINC000053876346 214202572 /nfs/dbraw/zinc/20/25/72/214202572.db2.gz POVLGFPGZXYVJI-GOEBONIOSA-N 2 2 325.294 3.659 10 0 EHAELP CC[NH2+][C@@H]1CCC[C@H]1C[N@@H+](C)Cc1ccccc1Br ZINC000053876346 214202575 /nfs/dbraw/zinc/20/25/75/214202575.db2.gz POVLGFPGZXYVJI-GOEBONIOSA-N 2 2 325.294 3.659 10 0 EHAELP C[N@H+]([C@@H](C[NH3+])c1ccc(F)c(Br)c1)C1CCCCC1 ZINC000019503227 212035524 /nfs/dbraw/zinc/03/55/24/212035524.db2.gz IFHMVYJJLQMDEO-HNNXBMFYSA-N 2 2 329.257 3.853 10 0 EHAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(F)c(Br)c1)C1CCCCC1 ZINC000019503227 212035527 /nfs/dbraw/zinc/03/55/27/212035527.db2.gz IFHMVYJJLQMDEO-HNNXBMFYSA-N 2 2 329.257 3.853 10 0 EHAELP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](Nc3ccc(N)[nH+]c3)CC2)s1 ZINC000328646634 564137208 /nfs/dbraw/zinc/13/72/08/564137208.db2.gz STTVOLSSWXHSNS-CQSZACIVSA-N 2 2 345.516 3.541 10 0 EHAELP CC(C)c1cnc(C[N@H+]2CCC[C@@H](Nc3ccc(N)[nH+]c3)CC2)s1 ZINC000328646634 564137209 /nfs/dbraw/zinc/13/72/09/564137209.db2.gz STTVOLSSWXHSNS-CQSZACIVSA-N 2 2 345.516 3.541 10 0 EHAELP Cc1nc(C[NH+]2CCC(CNc3[nH]c4ccccc4[nH+]3)CC2)cs1 ZINC000301890459 1026981111 /nfs/dbraw/zinc/98/11/11/1026981111.db2.gz QWZULNMNBFUFNI-UHFFFAOYSA-N 2 2 341.484 3.652 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000247066908 1028739743 /nfs/dbraw/zinc/73/97/43/1028739743.db2.gz OBNAYNGKKVGKNO-ATZDWAIDSA-N 2 2 325.456 3.552 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000247066908 1028739754 /nfs/dbraw/zinc/73/97/54/1028739754.db2.gz OBNAYNGKKVGKNO-ATZDWAIDSA-N 2 2 325.456 3.552 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000248722853 1028941144 /nfs/dbraw/zinc/94/11/44/1028941144.db2.gz GQVSABGDUCGWCZ-CZUORRHYSA-N 2 2 335.904 3.797 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000248722853 1028941157 /nfs/dbraw/zinc/94/11/57/1028941157.db2.gz GQVSABGDUCGWCZ-CZUORRHYSA-N 2 2 335.904 3.797 10 0 EHAELP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000252644077 1029216413 /nfs/dbraw/zinc/21/64/13/1029216413.db2.gz NKZNUOULBALHAF-FUHIMQAGSA-N 2 2 339.483 3.651 10 0 EHAELP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000252644077 1029216426 /nfs/dbraw/zinc/21/64/26/1029216426.db2.gz NKZNUOULBALHAF-FUHIMQAGSA-N 2 2 339.483 3.651 10 0 EHAELP C[C@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000252663722 1029223253 /nfs/dbraw/zinc/22/32/53/1029223253.db2.gz DPRFEGPJMKUACG-OXJNMPFZSA-N 2 2 348.450 3.558 10 0 EHAELP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000252663722 1029223271 /nfs/dbraw/zinc/22/32/71/1029223271.db2.gz DPRFEGPJMKUACG-OXJNMPFZSA-N 2 2 348.450 3.558 10 0 EHAELP Cc1ccc(N2CCC([NH2+][C@@H](C)c3nc4ccccc4n3C)CC2)[nH+]c1 ZINC000091346531 1030257142 /nfs/dbraw/zinc/25/71/42/1030257142.db2.gz LRPJXWUFSANWBT-INIZCTEOSA-N 2 2 349.482 3.596 10 0 EHAELP CC[NH2+][C@H](CC[NH+]1CCSCC1)c1cccc(Br)c1 ZINC000053938638 214205774 /nfs/dbraw/zinc/20/57/74/214205774.db2.gz CPXBTYAJGHXUHL-OAHLLOKOSA-N 2 2 343.334 3.539 10 0 EHAELP C[N@@H+](Cc1cccc2cc[nH]c21)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328625673 258032815 /nfs/dbraw/zinc/03/28/15/258032815.db2.gz DKGFVBMAEJPKEU-FPOVZHCZSA-N 2 2 334.467 3.688 10 0 EHAELP C[N@H+](Cc1cccc2cc[nH]c21)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328625673 258032816 /nfs/dbraw/zinc/03/28/16/258032816.db2.gz DKGFVBMAEJPKEU-FPOVZHCZSA-N 2 2 334.467 3.688 10 0 EHAELP C[NH+](Cc1cccc2cc[nH]c21)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328625673 258032818 /nfs/dbraw/zinc/03/28/18/258032818.db2.gz DKGFVBMAEJPKEU-FPOVZHCZSA-N 2 2 334.467 3.688 10 0 EHAELP C[NH+](Cc1cccc2cc[nH]c21)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328625673 258032820 /nfs/dbraw/zinc/03/28/20/258032820.db2.gz DKGFVBMAEJPKEU-FPOVZHCZSA-N 2 2 334.467 3.688 10 0 EHAELP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CC1=Cc3cc(Cl)ccc3OC1)CCC2 ZINC000089702097 564113192 /nfs/dbraw/zinc/11/31/92/564113192.db2.gz FJGQVNIDSDZADH-OAHLLOKOSA-N 2 2 343.858 3.788 10 0 EHAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(CSC(F)F)o3)CC[C@H]21 ZINC000246782749 1028692443 /nfs/dbraw/zinc/69/24/43/1028692443.db2.gz QGFVSJDQZUMTNV-SWLSCSKDSA-N 2 2 330.444 3.652 10 0 EHAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(CSC(F)F)o3)CC[C@H]21 ZINC000246782749 1028692450 /nfs/dbraw/zinc/69/24/50/1028692450.db2.gz QGFVSJDQZUMTNV-SWLSCSKDSA-N 2 2 330.444 3.652 10 0 EHAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(CSC(F)F)o3)CC[C@H]21 ZINC000246782749 1028692459 /nfs/dbraw/zinc/69/24/59/1028692459.db2.gz QGFVSJDQZUMTNV-SWLSCSKDSA-N 2 2 330.444 3.652 10 0 EHAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(CSC(F)F)o3)CC[C@H]21 ZINC000246782749 1028692466 /nfs/dbraw/zinc/69/24/66/1028692466.db2.gz QGFVSJDQZUMTNV-SWLSCSKDSA-N 2 2 330.444 3.652 10 0 EHAELP C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180389684 1031846701 /nfs/dbraw/zinc/84/67/01/1031846701.db2.gz VXKMMCPDACFRBY-BEFAXECRSA-N 2 2 346.434 3.649 10 0 EHAELP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3ncoc3C(C)C)C1)CCCC2 ZINC000299738796 258011540 /nfs/dbraw/zinc/01/15/40/258011540.db2.gz GNXHAUVNHSSVSR-HNNXBMFYSA-N 2 2 328.460 3.629 10 0 EHAELP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3ncoc3C(C)C)C1)CCCC2 ZINC000299738796 258011542 /nfs/dbraw/zinc/01/15/42/258011542.db2.gz GNXHAUVNHSSVSR-HNNXBMFYSA-N 2 2 328.460 3.629 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000126239072 1027177455 /nfs/dbraw/zinc/17/74/55/1027177455.db2.gz BQCOQBWAEJXUET-GQWLDOHISA-N 2 2 339.458 3.708 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000126239072 1027177461 /nfs/dbraw/zinc/17/74/61/1027177461.db2.gz BQCOQBWAEJXUET-GQWLDOHISA-N 2 2 339.458 3.708 10 0 EHAELP CC(C)C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000053658123 214192852 /nfs/dbraw/zinc/19/28/52/214192852.db2.gz SALLPCVCUWNLAU-CYBMUJFWSA-N 2 2 345.350 3.968 10 0 EHAELP CC(C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000053658123 214192855 /nfs/dbraw/zinc/19/28/55/214192855.db2.gz SALLPCVCUWNLAU-CYBMUJFWSA-N 2 2 345.350 3.968 10 0 EHAELP Cc1ccccc1C1CC([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000328630988 258029269 /nfs/dbraw/zinc/02/92/69/258029269.db2.gz JZYFRRKTRVPOCQ-OBMFMMATSA-N 2 2 335.495 3.919 10 0 EHAELP Cc1ccccc1C1CC([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000328630988 258029270 /nfs/dbraw/zinc/02/92/70/258029270.db2.gz JZYFRRKTRVPOCQ-OBMFMMATSA-N 2 2 335.495 3.919 10 0 EHAELP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247222275 1028759798 /nfs/dbraw/zinc/75/97/98/1028759798.db2.gz XTMXTRGVELWJLA-CBGDNZLLSA-N 2 2 341.474 3.652 10 0 EHAELP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247222275 1028759813 /nfs/dbraw/zinc/75/98/13/1028759813.db2.gz XTMXTRGVELWJLA-CBGDNZLLSA-N 2 2 341.474 3.652 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000193110392 1036565228 /nfs/dbraw/zinc/56/52/28/1036565228.db2.gz GQVSABGDUCGWCZ-CJNGLKHVSA-N 2 2 335.904 3.797 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000193110392 1036565247 /nfs/dbraw/zinc/56/52/47/1036565247.db2.gz GQVSABGDUCGWCZ-CJNGLKHVSA-N 2 2 335.904 3.797 10 0 EHAELP CCOCC[N@H+](CC)[C@H](c1cc(Br)cs1)[C@@H]([NH3+])CC ZINC000104186817 219357340 /nfs/dbraw/zinc/35/73/40/219357340.db2.gz BSYJFDWNQFIASY-JSGCOSHPSA-N 2 2 349.338 3.647 10 0 EHAELP CCOCC[N@@H+](CC)[C@H](c1cc(Br)cs1)[C@@H]([NH3+])CC ZINC000104186817 219357343 /nfs/dbraw/zinc/35/73/43/219357343.db2.gz BSYJFDWNQFIASY-JSGCOSHPSA-N 2 2 349.338 3.647 10 0 EHAELP CC(C)c1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)n1 ZINC000328636926 258025686 /nfs/dbraw/zinc/02/56/86/258025686.db2.gz OIZYFBZSHDATSJ-RXVVDRJESA-N 2 2 338.499 3.725 10 0 EHAELP CC(C)c1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)n1 ZINC000328636926 258025687 /nfs/dbraw/zinc/02/56/87/258025687.db2.gz OIZYFBZSHDATSJ-RXVVDRJESA-N 2 2 338.499 3.725 10 0 EHAELP CC(C)c1cccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1 ZINC000328636926 258025688 /nfs/dbraw/zinc/02/56/88/258025688.db2.gz OIZYFBZSHDATSJ-RXVVDRJESA-N 2 2 338.499 3.725 10 0 EHAELP CC(C)c1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n1 ZINC000328636926 258025689 /nfs/dbraw/zinc/02/56/89/258025689.db2.gz OIZYFBZSHDATSJ-RXVVDRJESA-N 2 2 338.499 3.725 10 0 EHAELP Fc1ccccc1COc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000010314006 563646776 /nfs/dbraw/zinc/64/67/76/563646776.db2.gz JHQVTFSVRIWKBY-UHFFFAOYSA-N 2 2 339.414 3.781 10 0 EHAELP Fc1ccccc1COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000010314030 563646795 /nfs/dbraw/zinc/64/67/95/563646795.db2.gz UOLNQVDVSHEVOD-UHFFFAOYSA-N 2 2 339.414 3.781 10 0 EHAELP Cc1ccc(N2CCC([NH2+][C@H](C)c3cccc(F)c3F)CC2)[nH+]c1 ZINC000183270835 1032188885 /nfs/dbraw/zinc/18/88/85/1032188885.db2.gz AKYFADNTYOOWHS-CQSZACIVSA-N 2 2 331.410 3.988 10 0 EHAELP C[C@H]1CC[N@H+](Cc2ccc(Br)s2)C[C@H]1n1cc[nH+]c1 ZINC000247685700 1028810098 /nfs/dbraw/zinc/81/00/98/1028810098.db2.gz SCQQNYLZJXAYBT-WCQYABFASA-N 2 2 340.290 3.790 10 0 EHAELP C[C@H]1CC[N@@H+](Cc2ccc(Br)s2)C[C@H]1n1cc[nH+]c1 ZINC000247685700 1028810116 /nfs/dbraw/zinc/81/01/16/1028810116.db2.gz SCQQNYLZJXAYBT-WCQYABFASA-N 2 2 340.290 3.790 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1 ZINC000248049275 1028843257 /nfs/dbraw/zinc/84/32/57/1028843257.db2.gz VWGATLJIWVGCBZ-TWOQFEAHSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1 ZINC000248049275 1028843275 /nfs/dbraw/zinc/84/32/75/1028843275.db2.gz VWGATLJIWVGCBZ-TWOQFEAHSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1 ZINC000156870075 1030084007 /nfs/dbraw/zinc/08/40/07/1030084007.db2.gz VWGATLJIWVGCBZ-GUXCAODWSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1 ZINC000156870075 1030084020 /nfs/dbraw/zinc/08/40/20/1030084020.db2.gz VWGATLJIWVGCBZ-GUXCAODWSA-N 2 2 327.447 3.782 10 0 EHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2F)C1 ZINC000186989540 1035758124 /nfs/dbraw/zinc/75/81/24/1035758124.db2.gz ZOIHDCLXNXALII-HNNXBMFYSA-N 2 2 347.409 3.634 10 0 EHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)c2ccc(F)cc2F)C1 ZINC000186989540 1035758144 /nfs/dbraw/zinc/75/81/44/1035758144.db2.gz ZOIHDCLXNXALII-HNNXBMFYSA-N 2 2 347.409 3.634 10 0 EHAELP [NH3+]CCCCCNc1c(C(=O)C(F)(F)F)c[nH+]c2ccccc21 ZINC000097757696 219054729 /nfs/dbraw/zinc/05/47/29/219054729.db2.gz NUYARPCREZXKGT-UHFFFAOYSA-N 2 2 325.334 3.521 10 0 EHAELP CC[C@H](C)[N@H+](CC)[C@@H](C[NH3+])c1cc(Br)ccc1OC ZINC000037112677 213132545 /nfs/dbraw/zinc/13/25/45/213132545.db2.gz MZPRCMQAJQRUGJ-FZMZJTMJSA-N 2 2 329.282 3.578 10 0 EHAELP CC[C@H](C)[N@@H+](CC)[C@@H](C[NH3+])c1cc(Br)ccc1OC ZINC000037112677 213132549 /nfs/dbraw/zinc/13/25/49/213132549.db2.gz MZPRCMQAJQRUGJ-FZMZJTMJSA-N 2 2 329.282 3.578 10 0 EHAELP [NH3+][C@H]1CCCC[C@H]1Nc1[nH+]c2ccccc2n1Cc1ccc(F)cc1 ZINC000095077396 218274035 /nfs/dbraw/zinc/27/40/35/218274035.db2.gz WNCBVDUCUVIWEB-DLBZAZTESA-N 2 2 338.430 3.906 10 0 EHAELP c1coc(-c2ncc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)c1 ZINC000248725130 1028941605 /nfs/dbraw/zinc/94/16/05/1028941605.db2.gz ICZIZNODQCUVFU-WMLDXEAASA-N 2 2 343.496 3.852 10 0 EHAELP c1coc(-c2ncc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)c1 ZINC000248725130 1028941618 /nfs/dbraw/zinc/94/16/18/1028941618.db2.gz ICZIZNODQCUVFU-WMLDXEAASA-N 2 2 343.496 3.852 10 0 EHAELP c1coc(-c2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)s2)c1 ZINC000248725130 1028941629 /nfs/dbraw/zinc/94/16/29/1028941629.db2.gz ICZIZNODQCUVFU-WMLDXEAASA-N 2 2 343.496 3.852 10 0 EHAELP c1coc(-c2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)s2)c1 ZINC000248725130 1028941637 /nfs/dbraw/zinc/94/16/37/1028941637.db2.gz ICZIZNODQCUVFU-WMLDXEAASA-N 2 2 343.496 3.852 10 0 EHAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000105875981 1037605498 /nfs/dbraw/zinc/60/54/98/1037605498.db2.gz CZDLESJLAICFDK-UHFFFAOYSA-N 2 2 336.439 3.530 10 0 EHAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3csc(C4CC4)n3)C2)[nH+]1 ZINC000163463268 1043948110 /nfs/dbraw/zinc/94/81/10/1043948110.db2.gz XWFIAKDBXBZOFW-AWEZNQCLSA-N 2 2 328.485 3.658 10 0 EHAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3csc(C4CC4)n3)C2)[nH+]1 ZINC000163463268 1043948117 /nfs/dbraw/zinc/94/81/17/1043948117.db2.gz XWFIAKDBXBZOFW-AWEZNQCLSA-N 2 2 328.485 3.658 10 0 EHAELP Cc1ccsc1C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275742031 564009939 /nfs/dbraw/zinc/00/99/39/564009939.db2.gz PSTWNGNMWSMFLK-INIZCTEOSA-N 2 2 347.553 4.000 10 0 EHAELP Cc1ccsc1C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275742031 564009940 /nfs/dbraw/zinc/00/99/40/564009940.db2.gz PSTWNGNMWSMFLK-INIZCTEOSA-N 2 2 347.553 4.000 10 0 EHAELP CC(C)c1cnc(C[N@@H+]2CCC[C@H](Nc3ccc(N)[nH+]c3)CC2)s1 ZINC000328646633 564137175 /nfs/dbraw/zinc/13/71/75/564137175.db2.gz STTVOLSSWXHSNS-AWEZNQCLSA-N 2 2 345.516 3.541 10 0 EHAELP CC(C)c1cnc(C[N@H+]2CCC[C@H](Nc3ccc(N)[nH+]c3)CC2)s1 ZINC000328646633 564137176 /nfs/dbraw/zinc/13/71/76/564137176.db2.gz STTVOLSSWXHSNS-AWEZNQCLSA-N 2 2 345.516 3.541 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(F)c1 ZINC000133176932 1028004794 /nfs/dbraw/zinc/00/47/94/1028004794.db2.gz WQTKCNGKVRDTIU-GUXCAODWSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(F)c1 ZINC000133176932 1028004804 /nfs/dbraw/zinc/00/48/04/1028004804.db2.gz WQTKCNGKVRDTIU-GUXCAODWSA-N 2 2 327.447 3.782 10 0 EHAELP CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000246924396 1028744486 /nfs/dbraw/zinc/74/44/86/1028744486.db2.gz GPCDZRVFKRWSFL-QFUCXCTJSA-N 2 2 338.499 3.818 10 0 EHAELP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000246924396 1028744503 /nfs/dbraw/zinc/74/45/03/1028744503.db2.gz GPCDZRVFKRWSFL-QFUCXCTJSA-N 2 2 338.499 3.818 10 0 EHAELP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247222294 1028758841 /nfs/dbraw/zinc/75/88/41/1028758841.db2.gz XTMXTRGVELWJLA-FVJLSDCUSA-N 2 2 341.474 3.652 10 0 EHAELP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247222294 1028758854 /nfs/dbraw/zinc/75/88/54/1028758854.db2.gz XTMXTRGVELWJLA-FVJLSDCUSA-N 2 2 341.474 3.652 10 0 EHAELP c1csc(Cn2cccc2C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648380 1030495398 /nfs/dbraw/zinc/49/53/98/1030495398.db2.gz YPLIXSUDFMRTAV-UHFFFAOYSA-N 2 2 326.469 3.632 10 0 EHAELP CC1(C)Cc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc2O1 ZINC000103340114 1037344766 /nfs/dbraw/zinc/34/47/66/1037344766.db2.gz RMGRLBGHMKQDGA-UHFFFAOYSA-N 2 2 337.467 3.554 10 0 EHAELP CC(C)c1nc(C[N@@H+]2CCC[C@@H](Nc3ccc(N)[nH+]c3)CC2)cs1 ZINC000328626907 564137044 /nfs/dbraw/zinc/13/70/44/564137044.db2.gz FPGQGCJYLLBUSX-CQSZACIVSA-N 2 2 345.516 3.541 10 0 EHAELP CC(C)c1nc(C[N@H+]2CCC[C@@H](Nc3ccc(N)[nH+]c3)CC2)cs1 ZINC000328626907 564137045 /nfs/dbraw/zinc/13/70/45/564137045.db2.gz FPGQGCJYLLBUSX-CQSZACIVSA-N 2 2 345.516 3.541 10 0 EHAELP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000175198513 1031311743 /nfs/dbraw/zinc/31/17/43/1031311743.db2.gz SPJVEYKBKLMQAH-AWEZNQCLSA-N 2 2 330.476 3.721 10 0 EHAELP C[C@H](C[NH2+]C(C)(C)C)C[N@H+](C)Cc1ccccc1Br ZINC000052541208 214132426 /nfs/dbraw/zinc/13/24/26/214132426.db2.gz YUPHZPWNDVNBAQ-CYBMUJFWSA-N 2 2 327.310 3.905 10 0 EHAELP C[C@H](C[NH2+]C(C)(C)C)C[N@@H+](C)Cc1ccccc1Br ZINC000052541208 214132428 /nfs/dbraw/zinc/13/24/28/214132428.db2.gz YUPHZPWNDVNBAQ-CYBMUJFWSA-N 2 2 327.310 3.905 10 0 EHAELP Cc1cccc2[nH+]c(C3CC[NH+](Cc4cccc(CC[NH3+])c4)CC3)[nH]c21 ZINC000072168610 216058880 /nfs/dbraw/zinc/05/88/80/216058880.db2.gz WRSZIWMLFBPUEI-UHFFFAOYSA-N 3 2 348.494 3.752 10 0 EHAELP Cc1cccc2[nH]c(C3CC[NH+](Cc4cccc(CC[NH3+])c4)CC3)[nH+]c21 ZINC000072168610 216058882 /nfs/dbraw/zinc/05/88/82/216058882.db2.gz WRSZIWMLFBPUEI-UHFFFAOYSA-N 3 2 348.494 3.752 10 0 EHAELP [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000333718090 1138325163 /nfs/dbraw/zinc/32/51/63/1138325163.db2.gz UCMJPWNCMADJBZ-APWZRJJASA-N 2 2 345.874 3.611 10 0 EHAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(F)ccc1Br ZINC000035586611 213040401 /nfs/dbraw/zinc/04/04/01/213040401.db2.gz PHZUPIAUVQKPDJ-ZDUSSCGKSA-N 2 2 326.213 3.595 10 0 EHAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(F)ccc1Br ZINC000035586612 213039862 /nfs/dbraw/zinc/03/98/62/213039862.db2.gz PHZUPIAUVQKPDJ-CYBMUJFWSA-N 2 2 326.213 3.595 10 0 EHAELP [NH3+][C@H]1CCCC[C@@H]1Nc1[nH+]c2ccccc2n1Cc1ccccc1F ZINC000095077409 218273758 /nfs/dbraw/zinc/27/37/58/218273758.db2.gz DALOZBNMWWNXCT-IRXDYDNUSA-N 2 2 338.430 3.906 10 0 EHAELP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Cc1ccccc1 ZINC000182062598 1032058117 /nfs/dbraw/zinc/05/81/17/1032058117.db2.gz OKKZSBJXEIEWML-IPJJNNNSSA-N 2 2 337.511 3.760 10 0 EHAELP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Cc1ccccc1 ZINC000182062598 1032058128 /nfs/dbraw/zinc/05/81/28/1032058128.db2.gz OKKZSBJXEIEWML-IPJJNNNSSA-N 2 2 337.511 3.760 10 0 EHAELP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000093770641 1030672067 /nfs/dbraw/zinc/67/20/67/1030672067.db2.gz NMBNOQFDUQJOEE-HNNXBMFYSA-N 2 2 346.906 3.514 10 0 EHAELP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000093770641 1030672071 /nfs/dbraw/zinc/67/20/71/1030672071.db2.gz NMBNOQFDUQJOEE-HNNXBMFYSA-N 2 2 346.906 3.514 10 0 EHAELP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000093770641 1030672075 /nfs/dbraw/zinc/67/20/75/1030672075.db2.gz NMBNOQFDUQJOEE-HNNXBMFYSA-N 2 2 346.906 3.514 10 0 EHAELP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000093770641 1030672076 /nfs/dbraw/zinc/67/20/76/1030672076.db2.gz NMBNOQFDUQJOEE-HNNXBMFYSA-N 2 2 346.906 3.514 10 0 EHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2C(C)C)C1 ZINC000122907332 1026853665 /nfs/dbraw/zinc/85/36/65/1026853665.db2.gz QIGKIWIILJCGRP-AWEZNQCLSA-N 2 2 349.910 3.793 10 0 EHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2C(C)C)C1 ZINC000122907332 1026853674 /nfs/dbraw/zinc/85/36/74/1026853674.db2.gz QIGKIWIILJCGRP-AWEZNQCLSA-N 2 2 349.910 3.793 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000126238864 1027179397 /nfs/dbraw/zinc/17/93/97/1027179397.db2.gz BJZHDDREPHDKOD-AVYPCKFXSA-N 2 2 345.437 3.921 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000126238864 1027179411 /nfs/dbraw/zinc/17/94/11/1027179411.db2.gz BJZHDDREPHDKOD-AVYPCKFXSA-N 2 2 345.437 3.921 10 0 EHAELP C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246556259 1028657506 /nfs/dbraw/zinc/65/75/06/1028657506.db2.gz WXIMLDAWHZZFLM-IEZWGBDMSA-N 2 2 343.496 3.578 10 0 EHAELP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Cc1ccccc1 ZINC000248580219 1028920531 /nfs/dbraw/zinc/92/05/31/1028920531.db2.gz OKKZSBJXEIEWML-CNNODRBYSA-N 2 2 337.511 3.760 10 0 EHAELP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Cc1ccccc1 ZINC000248580219 1028920544 /nfs/dbraw/zinc/92/05/44/1028920544.db2.gz OKKZSBJXEIEWML-CNNODRBYSA-N 2 2 337.511 3.760 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)nc1 ZINC000179127702 1031752330 /nfs/dbraw/zinc/75/23/30/1031752330.db2.gz KSWXELMSKYJSFZ-VKJFTORMSA-N 2 2 344.890 3.691 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)nc1 ZINC000179127702 1031752343 /nfs/dbraw/zinc/75/23/43/1031752343.db2.gz KSWXELMSKYJSFZ-VKJFTORMSA-N 2 2 344.890 3.691 10 0 EHAELP FC(F)(F)c1csc([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163375411 1043947033 /nfs/dbraw/zinc/94/70/33/1043947033.db2.gz IDIVPJLHCPKQGC-ZDUSSCGKSA-N 2 2 347.450 3.827 10 0 EHAELP FC(F)(F)c1csc([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163375411 1043947037 /nfs/dbraw/zinc/94/70/37/1043947037.db2.gz IDIVPJLHCPKQGC-ZDUSSCGKSA-N 2 2 347.450 3.827 10 0 EHAELP C[C@@H](C[NH2+]C(C)(C)C)C[N@H+](C)Cc1ccccc1Br ZINC000052541207 214133163 /nfs/dbraw/zinc/13/31/63/214133163.db2.gz YUPHZPWNDVNBAQ-ZDUSSCGKSA-N 2 2 327.310 3.905 10 0 EHAELP C[C@@H](C[NH2+]C(C)(C)C)C[N@@H+](C)Cc1ccccc1Br ZINC000052541207 214133165 /nfs/dbraw/zinc/13/31/65/214133165.db2.gz YUPHZPWNDVNBAQ-ZDUSSCGKSA-N 2 2 327.310 3.905 10 0 EHAELP CC(C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000053655131 214192994 /nfs/dbraw/zinc/19/29/94/214192994.db2.gz POCIQFHRTGQGOW-AWEZNQCLSA-N 2 2 325.294 3.659 10 0 EHAELP CC(C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000053655131 214192996 /nfs/dbraw/zinc/19/29/96/214192996.db2.gz POCIQFHRTGQGOW-AWEZNQCLSA-N 2 2 325.294 3.659 10 0 EHAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(Br)cc1 ZINC000019960389 212090431 /nfs/dbraw/zinc/09/04/31/212090431.db2.gz NEZQTWHQBGJCKQ-JKSUJKDBSA-N 2 2 325.294 3.974 10 0 EHAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(Br)cc1 ZINC000019960389 212090434 /nfs/dbraw/zinc/09/04/34/212090434.db2.gz NEZQTWHQBGJCKQ-JKSUJKDBSA-N 2 2 325.294 3.974 10 0 EHAELP C[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000251891529 1029167495 /nfs/dbraw/zinc/16/74/95/1029167495.db2.gz XEXIHENJMZQSRF-AHRSYUTCSA-N 2 2 338.499 3.514 10 0 EHAELP C[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000251891529 1029167510 /nfs/dbraw/zinc/16/75/10/1029167510.db2.gz XEXIHENJMZQSRF-AHRSYUTCSA-N 2 2 338.499 3.514 10 0 EHAELP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000175198531 1031310864 /nfs/dbraw/zinc/31/08/64/1031310864.db2.gz SPJVEYKBKLMQAH-CQSZACIVSA-N 2 2 330.476 3.721 10 0 EHAELP COc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000177346512 1031558634 /nfs/dbraw/zinc/55/86/34/1031558634.db2.gz HBMFLHQZOSQEPF-WWMYMODYSA-N 2 2 339.483 3.651 10 0 EHAELP COc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000177346512 1031558645 /nfs/dbraw/zinc/55/86/45/1031558645.db2.gz HBMFLHQZOSQEPF-WWMYMODYSA-N 2 2 339.483 3.651 10 0 EHAELP CCOCC[N@H+](CC)[C@@H](c1ccc(Br)s1)[C@@H]([NH3+])CC ZINC000104189623 219358472 /nfs/dbraw/zinc/35/84/72/219358472.db2.gz YRHJPQHLBGMHGW-SMDDNHRTSA-N 2 2 349.338 3.647 10 0 EHAELP CCOCC[N@@H+](CC)[C@@H](c1ccc(Br)s1)[C@@H]([NH3+])CC ZINC000104189623 219358479 /nfs/dbraw/zinc/35/84/79/219358479.db2.gz YRHJPQHLBGMHGW-SMDDNHRTSA-N 2 2 349.338 3.647 10 0 EHAELP CC[N@H+]([C@H](C[NH3+])c1ccc(Br)cc1F)C1CCCC1 ZINC000035765562 213048789 /nfs/dbraw/zinc/04/87/89/213048789.db2.gz VJUVEFACNCXEHR-OAHLLOKOSA-N 2 2 329.257 3.853 10 0 EHAELP CC[N@@H+]([C@H](C[NH3+])c1ccc(Br)cc1F)C1CCCC1 ZINC000035765562 213048794 /nfs/dbraw/zinc/04/87/94/213048794.db2.gz VJUVEFACNCXEHR-OAHLLOKOSA-N 2 2 329.257 3.853 10 0 EHAELP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000110686822 220057036 /nfs/dbraw/zinc/05/70/36/220057036.db2.gz JCVBGFIKUONUDA-XGHQBKJUSA-N 2 2 339.483 3.651 10 0 EHAELP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000110686822 220057039 /nfs/dbraw/zinc/05/70/39/220057039.db2.gz JCVBGFIKUONUDA-XGHQBKJUSA-N 2 2 339.483 3.651 10 0 EHAELP C[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 ZINC000328650231 258020570 /nfs/dbraw/zinc/02/05/70/258020570.db2.gz VKJYNRQKJPIYOK-OTBWCIGPSA-N 2 2 341.421 3.785 10 0 EHAELP C[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 ZINC000328650231 258020571 /nfs/dbraw/zinc/02/05/71/258020571.db2.gz VKJYNRQKJPIYOK-OTBWCIGPSA-N 2 2 341.421 3.785 10 0 EHAELP c1csc(Cn2cccc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597004 1030641098 /nfs/dbraw/zinc/64/10/98/1030641098.db2.gz DXOBTPUOADSTBJ-QGZVFWFLSA-N 2 2 329.513 3.516 10 0 EHAELP c1csc(Cn2cccc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597004 1030641107 /nfs/dbraw/zinc/64/11/07/1030641107.db2.gz DXOBTPUOADSTBJ-QGZVFWFLSA-N 2 2 329.513 3.516 10 0 EHAELP c1csc(Cn2cccc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683393 1030652723 /nfs/dbraw/zinc/65/27/23/1030652723.db2.gz TYZNSXIOPGEOAP-SFHVURJKSA-N 2 2 343.540 3.906 10 0 EHAELP c1csc(Cn2cccc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683393 1030652736 /nfs/dbraw/zinc/65/27/36/1030652736.db2.gz TYZNSXIOPGEOAP-SFHVURJKSA-N 2 2 343.540 3.906 10 0 EHAELP CCC[C@@](C)(C[NH2+]C)C[N@H+](C)Cc1ccccc1Br ZINC000051255360 214084394 /nfs/dbraw/zinc/08/43/94/214084394.db2.gz LWRKUEWDLQZLQC-INIZCTEOSA-N 2 2 327.310 3.907 10 0 EHAELP CCC[C@@](C)(C[NH2+]C)C[N@@H+](C)Cc1ccccc1Br ZINC000051255360 214084397 /nfs/dbraw/zinc/08/43/97/214084397.db2.gz LWRKUEWDLQZLQC-INIZCTEOSA-N 2 2 327.310 3.907 10 0 EHAELP C[N@@H+]1CCCC[C@@H]1CC[NH2+]Cc1cc(Br)ccc1F ZINC000052205836 214120966 /nfs/dbraw/zinc/12/09/66/214120966.db2.gz CHDSMIVTPXVLHL-CQSZACIVSA-N 2 2 329.257 3.552 10 0 EHAELP C[N@H+]1CCCC[C@@H]1CC[NH2+]Cc1cc(Br)ccc1F ZINC000052205836 214120970 /nfs/dbraw/zinc/12/09/70/214120970.db2.gz CHDSMIVTPXVLHL-CQSZACIVSA-N 2 2 329.257 3.552 10 0 EHAELP C[C@@H](C[NH2+]C1CCCC1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000053498525 214185974 /nfs/dbraw/zinc/18/59/74/214185974.db2.gz NJAWZBRSABYFTJ-ZDUSSCGKSA-N 2 2 325.294 3.802 10 0 EHAELP C[C@@H](C[NH2+]C1CCCC1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000053498525 214185976 /nfs/dbraw/zinc/18/59/76/214185976.db2.gz NJAWZBRSABYFTJ-ZDUSSCGKSA-N 2 2 325.294 3.802 10 0 EHAELP C[N@@H+]1CCc2c(sc3c2C[NH2+][C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000049454574 214009573 /nfs/dbraw/zinc/00/95/73/214009573.db2.gz SDQOOLCJIFGBES-IBGZPJMESA-N 2 2 335.476 3.719 10 0 EHAELP C[N@H+]1CCc2c(sc3c2C[NH2+][C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000049454574 214009574 /nfs/dbraw/zinc/00/95/74/214009574.db2.gz SDQOOLCJIFGBES-IBGZPJMESA-N 2 2 335.476 3.719 10 0 EHAELP CCOCC[N@H+](CC)[C@@H](c1cc(Br)cs1)[C@@H]([NH3+])CC ZINC000104186821 219357044 /nfs/dbraw/zinc/35/70/44/219357044.db2.gz BSYJFDWNQFIASY-GXTWGEPZSA-N 2 2 349.338 3.647 10 0 EHAELP CCOCC[N@@H+](CC)[C@@H](c1cc(Br)cs1)[C@@H]([NH3+])CC ZINC000104186821 219357046 /nfs/dbraw/zinc/35/70/46/219357046.db2.gz BSYJFDWNQFIASY-GXTWGEPZSA-N 2 2 349.338 3.647 10 0 EHAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1Br ZINC000035586633 213040696 /nfs/dbraw/zinc/04/06/96/213040696.db2.gz MWRXXSVVFQHFHP-ZDUSSCGKSA-N 2 2 326.213 3.595 10 0 EHAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000022936205 212337633 /nfs/dbraw/zinc/33/76/33/212337633.db2.gz FCQJFWPHRQBNOJ-HXUWFJFHSA-N 2 2 342.458 3.979 10 0 EHAELP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000022936205 212337635 /nfs/dbraw/zinc/33/76/35/212337635.db2.gz FCQJFWPHRQBNOJ-HXUWFJFHSA-N 2 2 342.458 3.979 10 0 EHAELP C[N@H+](C/C=C/c1ccc(F)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328634400 258027060 /nfs/dbraw/zinc/02/70/60/258027060.db2.gz MTRPVRHLFAMOFQ-CFQKCQFKSA-N 2 2 339.458 3.859 10 0 EHAELP C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328634400 258027062 /nfs/dbraw/zinc/02/70/62/258027062.db2.gz MTRPVRHLFAMOFQ-CFQKCQFKSA-N 2 2 339.458 3.859 10 0 EHAELP C[NH+](C/C=C/c1ccc(F)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328634400 258027064 /nfs/dbraw/zinc/02/70/64/258027064.db2.gz MTRPVRHLFAMOFQ-CFQKCQFKSA-N 2 2 339.458 3.859 10 0 EHAELP C[NH+](C/C=C/c1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328634400 258027065 /nfs/dbraw/zinc/02/70/65/258027065.db2.gz MTRPVRHLFAMOFQ-CFQKCQFKSA-N 2 2 339.458 3.859 10 0 EHAELP CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000246924375 1028745265 /nfs/dbraw/zinc/74/52/65/1028745265.db2.gz GPCDZRVFKRWSFL-LMNJBCLMSA-N 2 2 338.499 3.818 10 0 EHAELP CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000246924375 1028745278 /nfs/dbraw/zinc/74/52/78/1028745278.db2.gz GPCDZRVFKRWSFL-LMNJBCLMSA-N 2 2 338.499 3.818 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000247926157 1028828005 /nfs/dbraw/zinc/82/80/05/1028828005.db2.gz BQCOQBWAEJXUET-NQERJWCQSA-N 2 2 339.458 3.708 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000247926157 1028828022 /nfs/dbraw/zinc/82/80/22/1028828022.db2.gz BQCOQBWAEJXUET-NQERJWCQSA-N 2 2 339.458 3.708 10 0 EHAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000106163808 1037608236 /nfs/dbraw/zinc/60/82/36/1037608236.db2.gz YHOSZDXBLIKNOU-UHFFFAOYSA-N 2 2 332.517 3.629 10 0 EHAELP C[N@@H+]1CCCC[C@@H]1CC[NH2+]Cc1cc(F)ccc1Br ZINC000052205718 214120522 /nfs/dbraw/zinc/12/05/22/214120522.db2.gz GMHBOBIKJWOLLR-CQSZACIVSA-N 2 2 329.257 3.552 10 0 EHAELP C[N@H+]1CCCC[C@@H]1CC[NH2+]Cc1cc(F)ccc1Br ZINC000052205718 214120525 /nfs/dbraw/zinc/12/05/25/214120525.db2.gz GMHBOBIKJWOLLR-CQSZACIVSA-N 2 2 329.257 3.552 10 0 EHAELP CC(C)(C)[NH2+]C[C@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000053031573 214161334 /nfs/dbraw/zinc/16/13/34/214161334.db2.gz PSFBBLRRHBQTED-CQSZACIVSA-N 2 2 325.294 3.659 10 0 EHAELP CC(C)(C)[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000053031573 214161337 /nfs/dbraw/zinc/16/13/37/214161337.db2.gz PSFBBLRRHBQTED-CQSZACIVSA-N 2 2 325.294 3.659 10 0 EHAELP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000120061035 523666857 /nfs/dbraw/zinc/66/68/57/523666857.db2.gz LPSLNDJONSVTAP-TWOQFEAHSA-N 2 2 340.515 3.833 10 0 EHAELP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000120061035 523666868 /nfs/dbraw/zinc/66/68/68/523666868.db2.gz LPSLNDJONSVTAP-TWOQFEAHSA-N 2 2 340.515 3.833 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)nc1 ZINC000179127710 1031752745 /nfs/dbraw/zinc/75/27/45/1031752745.db2.gz KSWXELMSKYJSFZ-MPGHIAIKSA-N 2 2 344.890 3.691 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)nc1 ZINC000179127710 1031752758 /nfs/dbraw/zinc/75/27/58/1031752758.db2.gz KSWXELMSKYJSFZ-MPGHIAIKSA-N 2 2 344.890 3.691 10 0 EHAELP [NH3+][C@H]1CCCC[C@H]1Nc1[nH+]c2ccccc2n1Cc1cccc(F)c1 ZINC000095077376 218273337 /nfs/dbraw/zinc/27/33/37/218273337.db2.gz QRYQCYARHCFGLO-DLBZAZTESA-N 2 2 338.430 3.906 10 0 EHAELP COCCC1(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCCC1 ZINC000188322439 1035908692 /nfs/dbraw/zinc/90/86/92/1035908692.db2.gz PYEZSUMBRHYDQK-GOSISDBHSA-N 2 2 333.520 3.662 10 0 EHAELP COCCC1(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCCC1 ZINC000188322439 1035908710 /nfs/dbraw/zinc/90/87/10/1035908710.db2.gz PYEZSUMBRHYDQK-GOSISDBHSA-N 2 2 333.520 3.662 10 0 EHAELP [NH3+][C@@H]1CCCC[C@H]1Nc1[nH+]c2ccccc2n1Cc1cccc(F)c1 ZINC000095077378 218273594 /nfs/dbraw/zinc/27/35/94/218273594.db2.gz QRYQCYARHCFGLO-IAGOWNOFSA-N 2 2 338.430 3.906 10 0 EHAELP CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccnc1 ZINC000185472575 1032402387 /nfs/dbraw/zinc/40/23/87/1032402387.db2.gz YNYADOQBNRFFEG-WMQCIHAUSA-N 2 2 338.499 3.818 10 0 EHAELP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccnc1 ZINC000185472575 1032402395 /nfs/dbraw/zinc/40/23/95/1032402395.db2.gz YNYADOQBNRFFEG-WMQCIHAUSA-N 2 2 338.499 3.818 10 0 EHAELP CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccnc1 ZINC000185472613 1032402164 /nfs/dbraw/zinc/40/21/64/1032402164.db2.gz YNYADOQBNRFFEG-YYWHXJBOSA-N 2 2 338.499 3.818 10 0 EHAELP CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccnc1 ZINC000185472613 1032402171 /nfs/dbraw/zinc/40/21/71/1032402171.db2.gz YNYADOQBNRFFEG-YYWHXJBOSA-N 2 2 338.499 3.818 10 0 EHAELP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1OC ZINC000126472414 1027208109 /nfs/dbraw/zinc/20/81/09/1027208109.db2.gz VGWOGQDVICRXMX-GOSISDBHSA-N 2 2 336.439 3.825 10 0 EHAELP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248184828 1028860673 /nfs/dbraw/zinc/86/06/73/1028860673.db2.gz XDGOZKASLCHJGE-JFIYKMOQSA-N 2 2 335.561 3.802 10 0 EHAELP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248184828 1028860689 /nfs/dbraw/zinc/86/06/89/1028860689.db2.gz XDGOZKASLCHJGE-JFIYKMOQSA-N 2 2 335.561 3.802 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1 ZINC000156870240 1030084516 /nfs/dbraw/zinc/08/45/16/1030084516.db2.gz VWGATLJIWVGCBZ-FTRWYGJKSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1 ZINC000156870240 1030084531 /nfs/dbraw/zinc/08/45/31/1030084531.db2.gz VWGATLJIWVGCBZ-FTRWYGJKSA-N 2 2 327.447 3.782 10 0 EHAELP COc1ccc(Cl)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000192007032 1036458602 /nfs/dbraw/zinc/45/86/02/1036458602.db2.gz GSOKICBWOJKUQX-UHFFFAOYSA-N 2 2 333.863 3.537 10 0 EHAELP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3F)CC2)[nH+]c1 ZINC000163458838 1043948756 /nfs/dbraw/zinc/94/87/56/1043948756.db2.gz XLFALPKBGHATEL-AWEZNQCLSA-N 2 2 331.410 3.988 10 0 EHAELP [NH3+]C1CCC(Nc2[nH+]c3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000095077194 218273686 /nfs/dbraw/zinc/27/36/86/218273686.db2.gz ULZSQJZNNOIACJ-UHFFFAOYSA-N 2 2 338.430 3.906 10 0 EHAELP [NH3+][C@H]1CCCC[C@@H]1Nc1[nH+]c2ccccc2n1Cc1cccc(F)c1 ZINC000095077377 218273837 /nfs/dbraw/zinc/27/38/37/218273837.db2.gz QRYQCYARHCFGLO-IRXDYDNUSA-N 2 2 338.430 3.906 10 0 EHAELP COc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000247290794 1028770902 /nfs/dbraw/zinc/77/09/02/1028770902.db2.gz HBMFLHQZOSQEPF-XGHQBKJUSA-N 2 2 339.483 3.651 10 0 EHAELP COc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000247290794 1028770918 /nfs/dbraw/zinc/77/09/18/1028770918.db2.gz HBMFLHQZOSQEPF-XGHQBKJUSA-N 2 2 339.483 3.651 10 0 EHAELP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248183220 1028860055 /nfs/dbraw/zinc/86/00/55/1028860055.db2.gz WUQXHIPOXZTFMZ-PZJWPPBQSA-N 2 2 339.483 3.778 10 0 EHAELP Cc1noc(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248183220 1028860075 /nfs/dbraw/zinc/86/00/75/1028860075.db2.gz WUQXHIPOXZTFMZ-PZJWPPBQSA-N 2 2 339.483 3.778 10 0 EHAELP Cc1noc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248183220 1028860094 /nfs/dbraw/zinc/86/00/94/1028860094.db2.gz WUQXHIPOXZTFMZ-PZJWPPBQSA-N 2 2 339.483 3.778 10 0 EHAELP Cc1noc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248183220 1028860108 /nfs/dbraw/zinc/86/01/08/1028860108.db2.gz WUQXHIPOXZTFMZ-PZJWPPBQSA-N 2 2 339.483 3.778 10 0 EHAELP C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180389665 1031846038 /nfs/dbraw/zinc/84/60/38/1031846038.db2.gz VXKMMCPDACFRBY-KXBFYZLASA-N 2 2 346.434 3.649 10 0 EHAELP C[N@H+](Cc1ccccc1Br)CC(C)(C)C[NH2+]C1CC1 ZINC000051255397 214084757 /nfs/dbraw/zinc/08/47/57/214084757.db2.gz MDTFESUDGBWCQJ-UHFFFAOYSA-N 2 2 325.294 3.659 10 0 EHAELP C[N@@H+](Cc1ccccc1Br)CC(C)(C)C[NH2+]C1CC1 ZINC000051255397 214084761 /nfs/dbraw/zinc/08/47/61/214084761.db2.gz MDTFESUDGBWCQJ-UHFFFAOYSA-N 2 2 325.294 3.659 10 0 EHAELP CC[N@H+]([C@H](C[NH3+])c1cc(Br)ccc1F)C1CCCC1 ZINC000035765424 213048615 /nfs/dbraw/zinc/04/86/15/213048615.db2.gz LMRFGUDLLMOKME-OAHLLOKOSA-N 2 2 329.257 3.853 10 0 EHAELP CC[N@@H+]([C@H](C[NH3+])c1cc(Br)ccc1F)C1CCCC1 ZINC000035765424 213048619 /nfs/dbraw/zinc/04/86/19/213048619.db2.gz LMRFGUDLLMOKME-OAHLLOKOSA-N 2 2 329.257 3.853 10 0 EHAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(Br)ccc1Cl ZINC000035570029 213038911 /nfs/dbraw/zinc/03/89/11/213038911.db2.gz WKPHVDVCTCFOJZ-LBPRGKRZSA-N 2 2 328.641 3.719 10 0 EHAELP Cc1ccsc1C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275742036 564009934 /nfs/dbraw/zinc/00/99/34/564009934.db2.gz PSTWNGNMWSMFLK-MRXNPFEDSA-N 2 2 347.553 4.000 10 0 EHAELP Cc1ccsc1C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275742036 564009935 /nfs/dbraw/zinc/00/99/35/564009935.db2.gz PSTWNGNMWSMFLK-MRXNPFEDSA-N 2 2 347.553 4.000 10 0 EHAELP C[C@@H]1CC[N@H+](Cc2ccc(Br)s2)C[C@H]1n1cc[nH+]c1 ZINC000247685696 1028810275 /nfs/dbraw/zinc/81/02/75/1028810275.db2.gz SCQQNYLZJXAYBT-DGCLKSJQSA-N 2 2 340.290 3.790 10 0 EHAELP C[C@@H]1CC[N@@H+](Cc2ccc(Br)s2)C[C@H]1n1cc[nH+]c1 ZINC000247685696 1028810287 /nfs/dbraw/zinc/81/02/87/1028810287.db2.gz SCQQNYLZJXAYBT-DGCLKSJQSA-N 2 2 340.290 3.790 10 0 EHAELP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000156971904 1030171698 /nfs/dbraw/zinc/17/16/98/1030171698.db2.gz NKZNUOULBALHAF-UWVAXJGDSA-N 2 2 339.483 3.651 10 0 EHAELP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000156971904 1030171708 /nfs/dbraw/zinc/17/17/08/1030171708.db2.gz NKZNUOULBALHAF-UWVAXJGDSA-N 2 2 339.483 3.651 10 0 EHAELP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000093770642 1030671962 /nfs/dbraw/zinc/67/19/62/1030671962.db2.gz NMBNOQFDUQJOEE-OAHLLOKOSA-N 2 2 346.906 3.514 10 0 EHAELP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000093770642 1030671972 /nfs/dbraw/zinc/67/19/72/1030671972.db2.gz NMBNOQFDUQJOEE-OAHLLOKOSA-N 2 2 346.906 3.514 10 0 EHAELP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000093770642 1030671976 /nfs/dbraw/zinc/67/19/76/1030671976.db2.gz NMBNOQFDUQJOEE-OAHLLOKOSA-N 2 2 346.906 3.514 10 0 EHAELP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000093770642 1030671981 /nfs/dbraw/zinc/67/19/81/1030671981.db2.gz NMBNOQFDUQJOEE-OAHLLOKOSA-N 2 2 346.906 3.514 10 0 EHAELP C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180389633 1031846101 /nfs/dbraw/zinc/84/61/01/1031846101.db2.gz VXKMMCPDACFRBY-HNAYVOBHSA-N 2 2 346.434 3.649 10 0 EHAELP CCC[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000052371701 214127056 /nfs/dbraw/zinc/12/70/56/214127056.db2.gz JRQTZDHHSQUVQW-MRXNPFEDSA-N 2 2 327.310 3.905 10 0 EHAELP CCC[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000052371701 214127058 /nfs/dbraw/zinc/12/70/58/214127058.db2.gz JRQTZDHHSQUVQW-MRXNPFEDSA-N 2 2 327.310 3.905 10 0 EHAELP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(Br)cc1 ZINC000019960401 212090864 /nfs/dbraw/zinc/09/08/64/212090864.db2.gz NEZQTWHQBGJCKQ-CVEARBPZSA-N 2 2 325.294 3.974 10 0 EHAELP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(Br)cc1 ZINC000019960401 212090865 /nfs/dbraw/zinc/09/08/65/212090865.db2.gz NEZQTWHQBGJCKQ-CVEARBPZSA-N 2 2 325.294 3.974 10 0 EHAELP C[C@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)o1 ZINC000328626246 258033032 /nfs/dbraw/zinc/03/30/32/258033032.db2.gz DXRPXXYFPBCPHU-LLYILUEJSA-N 2 2 325.456 3.581 10 0 EHAELP C[C@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)o1 ZINC000328626246 258033033 /nfs/dbraw/zinc/03/30/33/258033033.db2.gz DXRPXXYFPBCPHU-LLYILUEJSA-N 2 2 325.456 3.581 10 0 EHAELP [NH3+][C@H]1CC[C@H](Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000100278638 219095833 /nfs/dbraw/zinc/09/58/33/219095833.db2.gz UJKQOGSSNNWXBM-CALCHBBNSA-N 2 2 338.430 3.906 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000246892759 1028708867 /nfs/dbraw/zinc/70/88/67/1028708867.db2.gz DUQCNHVTHIKMHA-NQERJWCQSA-N 2 2 339.458 3.708 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000246892759 1028708880 /nfs/dbraw/zinc/70/88/80/1028708880.db2.gz DUQCNHVTHIKMHA-NQERJWCQSA-N 2 2 339.458 3.708 10 0 EHAELP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)CCCO2 ZINC000158011540 1031034072 /nfs/dbraw/zinc/03/40/72/1031034072.db2.gz GIZBEQJFWKGWEB-HXUWFJFHSA-N 2 2 346.515 3.688 10 0 EHAELP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(F)ccc1Br ZINC000020047861 212098245 /nfs/dbraw/zinc/09/82/45/212098245.db2.gz UVBHGYCYJDZAHU-CYBMUJFWSA-N 2 2 343.284 3.942 10 0 EHAELP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(F)ccc1Br ZINC000020047861 212098243 /nfs/dbraw/zinc/09/82/43/212098243.db2.gz UVBHGYCYJDZAHU-CYBMUJFWSA-N 2 2 343.284 3.942 10 0 EHAELP [NH3+][C@@H]1CCCC[C@H]1Nc1[nH+]c2ccccc2n1Cc1ccc(F)cc1 ZINC000095077398 218273872 /nfs/dbraw/zinc/27/38/72/218273872.db2.gz WNCBVDUCUVIWEB-IAGOWNOFSA-N 2 2 338.430 3.906 10 0 EHAELP COc1cccc2c(N3CC[NH+](Cc4ccccc4)CC3)cc[nH+]c12 ZINC000040175338 132398955 /nfs/dbraw/zinc/39/89/55/132398955.db2.gz WYQWGSISYCXXLJ-UHFFFAOYSA-N 2 2 333.435 3.566 10 0 EHAELP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246947814 1028715223 /nfs/dbraw/zinc/71/52/23/1028715223.db2.gz JFMNJQLFUFWZCN-XYAPHWEVSA-N 2 2 335.495 3.985 10 0 EHAELP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246947814 1028715239 /nfs/dbraw/zinc/71/52/39/1028715239.db2.gz JFMNJQLFUFWZCN-XYAPHWEVSA-N 2 2 335.495 3.985 10 0 EHAELP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247222304 1028760489 /nfs/dbraw/zinc/76/04/89/1028760489.db2.gz XTMXTRGVELWJLA-LZJOCLMNSA-N 2 2 341.474 3.652 10 0 EHAELP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247222304 1028760498 /nfs/dbraw/zinc/76/04/98/1028760498.db2.gz XTMXTRGVELWJLA-LZJOCLMNSA-N 2 2 341.474 3.652 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000247926153 1028826442 /nfs/dbraw/zinc/82/64/42/1028826442.db2.gz BQCOQBWAEJXUET-LPTQZCDUSA-N 2 2 339.458 3.708 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000247926153 1028826460 /nfs/dbraw/zinc/82/64/60/1028826460.db2.gz BQCOQBWAEJXUET-LPTQZCDUSA-N 2 2 339.458 3.708 10 0 EHAELP FC(F)(F)c1csc([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163375289 1043946528 /nfs/dbraw/zinc/94/65/28/1043946528.db2.gz IDIVPJLHCPKQGC-CYBMUJFWSA-N 2 2 347.450 3.827 10 0 EHAELP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163375289 1043946537 /nfs/dbraw/zinc/94/65/37/1043946537.db2.gz IDIVPJLHCPKQGC-CYBMUJFWSA-N 2 2 347.450 3.827 10 0 EHAELP C[N@H+]([C@H](C[NH3+])c1ccc(Br)cc1F)C1CCCCC1 ZINC000036985260 213128411 /nfs/dbraw/zinc/12/84/11/213128411.db2.gz VBYGWWIBHRGFQK-OAHLLOKOSA-N 2 2 329.257 3.853 10 0 EHAELP C[N@@H+]([C@H](C[NH3+])c1ccc(Br)cc1F)C1CCCCC1 ZINC000036985260 213128415 /nfs/dbraw/zinc/12/84/15/213128415.db2.gz VBYGWWIBHRGFQK-OAHLLOKOSA-N 2 2 329.257 3.853 10 0 EHAELP [NH3+][C@@H]1CCCC[C@@H]1Nc1[nH+]c2ccccc2n1Cc1ccc(F)cc1 ZINC000095077399 218273325 /nfs/dbraw/zinc/27/33/25/218273325.db2.gz WNCBVDUCUVIWEB-SJORKVTESA-N 2 2 338.430 3.906 10 0 EHAELP [NH3+][C@@H]1CCCC[C@@H]1Nc1[nH+]c2ccccc2n1Cc1ccccc1F ZINC000095077411 218273487 /nfs/dbraw/zinc/27/34/87/218273487.db2.gz DALOZBNMWWNXCT-SJORKVTESA-N 2 2 338.430 3.906 10 0 EHAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000184733146 1032305701 /nfs/dbraw/zinc/30/57/01/1032305701.db2.gz XXSGFZPTPKARJF-INIZCTEOSA-N 2 2 349.425 3.519 10 0 EHAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000184733146 1032305718 /nfs/dbraw/zinc/30/57/18/1032305718.db2.gz XXSGFZPTPKARJF-INIZCTEOSA-N 2 2 349.425 3.519 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000246892745 1028707380 /nfs/dbraw/zinc/70/73/80/1028707380.db2.gz DUQCNHVTHIKMHA-IPHXSNPTSA-N 2 2 339.458 3.708 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000246892745 1028707397 /nfs/dbraw/zinc/70/73/97/1028707397.db2.gz DUQCNHVTHIKMHA-IPHXSNPTSA-N 2 2 339.458 3.708 10 0 EHAELP COc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247290783 1028771604 /nfs/dbraw/zinc/77/16/04/1028771604.db2.gz HBMFLHQZOSQEPF-LLGFUMIMSA-N 2 2 339.483 3.651 10 0 EHAELP COc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247290783 1028771617 /nfs/dbraw/zinc/77/16/17/1028771617.db2.gz HBMFLHQZOSQEPF-LLGFUMIMSA-N 2 2 339.483 3.651 10 0 EHAELP C[C@H]1CC[N@H+](Cc2cc(Br)cs2)C[C@H]1n1cc[nH+]c1 ZINC000245566097 1028853572 /nfs/dbraw/zinc/85/35/72/1028853572.db2.gz DYMCZECHTDQWEB-SMDDNHRTSA-N 2 2 340.290 3.790 10 0 EHAELP C[C@H]1CC[N@@H+](Cc2cc(Br)cs2)C[C@H]1n1cc[nH+]c1 ZINC000245566097 1028853590 /nfs/dbraw/zinc/85/35/90/1028853590.db2.gz DYMCZECHTDQWEB-SMDDNHRTSA-N 2 2 340.290 3.790 10 0 EHAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104415163 219384441 /nfs/dbraw/zinc/38/44/41/219384441.db2.gz BPTMPQDKTXZSOI-DDUYRFODSA-N 2 2 325.294 3.815 10 0 EHAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104415163 219384442 /nfs/dbraw/zinc/38/44/42/219384442.db2.gz BPTMPQDKTXZSOI-DDUYRFODSA-N 2 2 325.294 3.815 10 0 EHAELP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000186168649 1035594747 /nfs/dbraw/zinc/59/47/47/1035594747.db2.gz CFLKZXLJDQZGPF-ZOBUZTSGSA-N 2 2 345.512 3.713 10 0 EHAELP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000186168649 1035594764 /nfs/dbraw/zinc/59/47/64/1035594764.db2.gz CFLKZXLJDQZGPF-ZOBUZTSGSA-N 2 2 345.512 3.713 10 0 EHAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccsc1)CC2 ZINC000275655658 564009760 /nfs/dbraw/zinc/00/97/60/564009760.db2.gz KWFMWYKHNXDOBR-OAHLLOKOSA-N 2 2 333.526 3.691 10 0 EHAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccsc1)CC2 ZINC000275655658 564009761 /nfs/dbraw/zinc/00/97/61/564009761.db2.gz KWFMWYKHNXDOBR-OAHLLOKOSA-N 2 2 333.526 3.691 10 0 EHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2C(C)C)C1 ZINC000122907076 1026853740 /nfs/dbraw/zinc/85/37/40/1026853740.db2.gz QIGKIWIILJCGRP-CQSZACIVSA-N 2 2 349.910 3.793 10 0 EHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2C(C)C)C1 ZINC000122907076 1026853747 /nfs/dbraw/zinc/85/37/47/1026853747.db2.gz QIGKIWIILJCGRP-CQSZACIVSA-N 2 2 349.910 3.793 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(F)c1 ZINC000133177190 1028005354 /nfs/dbraw/zinc/00/53/54/1028005354.db2.gz WQTKCNGKVRDTIU-FTRWYGJKSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(F)c1 ZINC000133177190 1028005367 /nfs/dbraw/zinc/00/53/67/1028005367.db2.gz WQTKCNGKVRDTIU-FTRWYGJKSA-N 2 2 327.447 3.782 10 0 EHAELP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)n1 ZINC000066533397 1028333003 /nfs/dbraw/zinc/33/30/03/1028333003.db2.gz SQVVKWMOABZCKE-UHFFFAOYSA-N 2 2 338.499 3.549 10 0 EHAELP Cc1oc(-c2cccs2)nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247110827 1028778448 /nfs/dbraw/zinc/77/84/48/1028778448.db2.gz ACLFZMYCGWLPIP-GOEBONIOSA-N 2 2 331.485 3.628 10 0 EHAELP Cc1oc(-c2cccs2)nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247110827 1028778460 /nfs/dbraw/zinc/77/84/60/1028778460.db2.gz ACLFZMYCGWLPIP-GOEBONIOSA-N 2 2 331.485 3.628 10 0 EHAELP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247110827 1028778474 /nfs/dbraw/zinc/77/84/74/1028778474.db2.gz ACLFZMYCGWLPIP-GOEBONIOSA-N 2 2 331.485 3.628 10 0 EHAELP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247110827 1028778489 /nfs/dbraw/zinc/77/84/89/1028778489.db2.gz ACLFZMYCGWLPIP-GOEBONIOSA-N 2 2 331.485 3.628 10 0 EHAELP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248184830 1028860857 /nfs/dbraw/zinc/86/08/57/1028860857.db2.gz XDGOZKASLCHJGE-LZLYRXPVSA-N 2 2 335.561 3.802 10 0 EHAELP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248184830 1028860879 /nfs/dbraw/zinc/86/08/79/1028860879.db2.gz XDGOZKASLCHJGE-LZLYRXPVSA-N 2 2 335.561 3.802 10 0 EHAELP CCC[C@](C)(C[NH2+]C)C[N@H+](C)Cc1csc(Br)c1 ZINC000051256896 214085102 /nfs/dbraw/zinc/08/51/02/214085102.db2.gz NVOFKUCULNXQHE-CQSZACIVSA-N 2 2 333.339 3.968 10 0 EHAELP CCC[C@](C)(C[NH2+]C)C[N@@H+](C)Cc1csc(Br)c1 ZINC000051256896 214085105 /nfs/dbraw/zinc/08/51/05/214085105.db2.gz NVOFKUCULNXQHE-CQSZACIVSA-N 2 2 333.339 3.968 10 0 EHAELP Cc1cccc(C2CC([NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)C2)c1 ZINC000328629231 258030415 /nfs/dbraw/zinc/03/04/15/258030415.db2.gz IAFGODOIIFYTRJ-SAZYNNDCSA-N 2 2 335.495 3.919 10 0 EHAELP Cc1cccc(C2CC([NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)C2)c1 ZINC000328629231 258030416 /nfs/dbraw/zinc/03/04/16/258030416.db2.gz IAFGODOIIFYTRJ-SAZYNNDCSA-N 2 2 335.495 3.919 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000247066923 1028739561 /nfs/dbraw/zinc/73/95/61/1028739561.db2.gz OBNAYNGKKVGKNO-LZQZEXGQSA-N 2 2 325.456 3.552 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000247066923 1028739570 /nfs/dbraw/zinc/73/95/70/1028739570.db2.gz OBNAYNGKKVGKNO-LZQZEXGQSA-N 2 2 325.456 3.552 10 0 EHAELP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247957779 1028833453 /nfs/dbraw/zinc/83/34/53/1028833453.db2.gz FUMUHWXLJAHILG-FTIBCMOBSA-N 2 2 335.495 3.815 10 0 EHAELP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247957779 1028833472 /nfs/dbraw/zinc/83/34/72/1028833472.db2.gz FUMUHWXLJAHILG-FTIBCMOBSA-N 2 2 335.495 3.815 10 0 EHAELP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248184831 1028858745 /nfs/dbraw/zinc/85/87/45/1028858745.db2.gz XDGOZKASLCHJGE-NUJGCVRESA-N 2 2 335.561 3.802 10 0 EHAELP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248184831 1028858762 /nfs/dbraw/zinc/85/87/62/1028858762.db2.gz XDGOZKASLCHJGE-NUJGCVRESA-N 2 2 335.561 3.802 10 0 EHAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000248722854 1028941939 /nfs/dbraw/zinc/94/19/39/1028941939.db2.gz GQVSABGDUCGWCZ-XJKSGUPXSA-N 2 2 335.904 3.797 10 0 EHAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000248722854 1028941954 /nfs/dbraw/zinc/94/19/54/1028941954.db2.gz GQVSABGDUCGWCZ-XJKSGUPXSA-N 2 2 335.904 3.797 10 0 EHAELP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000252663723 1029222240 /nfs/dbraw/zinc/22/22/40/1029222240.db2.gz DPRFEGPJMKUACG-OXQOHEQNSA-N 2 2 348.450 3.558 10 0 EHAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000252663723 1029222259 /nfs/dbraw/zinc/22/22/59/1029222259.db2.gz DPRFEGPJMKUACG-OXQOHEQNSA-N 2 2 348.450 3.558 10 0 EHAELP Cc1ccc(N2CCC([NH2+][C@H](C)c3nc4ccccc4n3C)CC2)[nH+]c1 ZINC000091346532 1030255773 /nfs/dbraw/zinc/25/57/73/1030255773.db2.gz LRPJXWUFSANWBT-MRXNPFEDSA-N 2 2 349.482 3.596 10 0 EHAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000105875993 1037605189 /nfs/dbraw/zinc/60/51/89/1037605189.db2.gz VAXPEVCAVKZEAB-UHFFFAOYSA-N 2 2 342.468 3.591 10 0 EHAELP C[C@H]([NH3+])[C@H](c1ccccc1Br)[N@H+](C)CC1CCCC1 ZINC000104366247 219379982 /nfs/dbraw/zinc/37/99/82/219379982.db2.gz YIDQSAVRCSPKSN-BLLLJJGKSA-N 2 2 325.294 3.959 10 0 EHAELP C[C@H]([NH3+])[C@H](c1ccccc1Br)[N@@H+](C)CC1CCCC1 ZINC000104366247 219379985 /nfs/dbraw/zinc/37/99/85/219379985.db2.gz YIDQSAVRCSPKSN-BLLLJJGKSA-N 2 2 325.294 3.959 10 0 EHAELP C[NH+](C)C(C)(C)C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000036843338 213122197 /nfs/dbraw/zinc/12/21/97/213122197.db2.gz IQFHSYZAQAEJHJ-UHFFFAOYSA-N 2 2 325.294 3.625 10 0 EHAELP Cc1[nH+]cc2n1-c1ccc(Cl)cc1C(c1ccccc1F)[N+](=O)C2 ZINC000022054580 212273656 /nfs/dbraw/zinc/27/36/56/212273656.db2.gz FIDBLKWFRFIVLJ-UHFFFAOYSA-N 2 2 341.773 3.835 10 0 in-vitro EHAELP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(F)ccc1Br ZINC000020047864 212097884 /nfs/dbraw/zinc/09/78/84/212097884.db2.gz UVBHGYCYJDZAHU-ZDUSSCGKSA-N 2 2 343.284 3.942 10 0 EHAELP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(F)ccc1Br ZINC000020047864 212097885 /nfs/dbraw/zinc/09/78/85/212097885.db2.gz UVBHGYCYJDZAHU-ZDUSSCGKSA-N 2 2 343.284 3.942 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000247066939 1028737534 /nfs/dbraw/zinc/73/75/34/1028737534.db2.gz OBNAYNGKKVGKNO-MNEFBYGVSA-N 2 2 325.456 3.552 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000247066939 1028737547 /nfs/dbraw/zinc/73/75/47/1028737547.db2.gz OBNAYNGKKVGKNO-MNEFBYGVSA-N 2 2 325.456 3.552 10 0 EHAELP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)cc1Br ZINC000020047922 212098015 /nfs/dbraw/zinc/09/80/15/212098015.db2.gz LUYMBCIPSGWAOS-CYBMUJFWSA-N 2 2 343.284 3.942 10 0 EHAELP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)cc1Br ZINC000020047922 212098017 /nfs/dbraw/zinc/09/80/17/212098017.db2.gz LUYMBCIPSGWAOS-CYBMUJFWSA-N 2 2 343.284 3.942 10 0 EHAELP CSCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)cc1)C2 ZINC000011814730 211251035 /nfs/dbraw/zinc/25/10/35/211251035.db2.gz XTHCXIINVHABHW-LJQANCHMSA-N 2 2 336.520 3.867 10 0 EHAELP CSCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)cc1)C2 ZINC000011814730 211251037 /nfs/dbraw/zinc/25/10/37/211251037.db2.gz XTHCXIINVHABHW-LJQANCHMSA-N 2 2 336.520 3.867 10 0 EHAELP CSCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000011814730 211251041 /nfs/dbraw/zinc/25/10/41/211251041.db2.gz XTHCXIINVHABHW-LJQANCHMSA-N 2 2 336.520 3.867 10 0 EHAELP CSCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000011814730 211251043 /nfs/dbraw/zinc/25/10/43/211251043.db2.gz XTHCXIINVHABHW-LJQANCHMSA-N 2 2 336.520 3.867 10 0 EHAELP C[N@@H+](Cc1cnc(C2CC2)s1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328623603 258034923 /nfs/dbraw/zinc/03/49/23/258034923.db2.gz BYOPRVBDMPUIMG-WMZOPIPTSA-N 2 2 342.512 3.540 10 0 EHAELP C[N@H+](Cc1cnc(C2CC2)s1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328623603 258034924 /nfs/dbraw/zinc/03/49/24/258034924.db2.gz BYOPRVBDMPUIMG-WMZOPIPTSA-N 2 2 342.512 3.540 10 0 EHAELP C[NH+](Cc1cnc(C2CC2)s1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328623603 258034925 /nfs/dbraw/zinc/03/49/25/258034925.db2.gz BYOPRVBDMPUIMG-WMZOPIPTSA-N 2 2 342.512 3.540 10 0 EHAELP C[NH+](Cc1cnc(C2CC2)s1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328623603 258034926 /nfs/dbraw/zinc/03/49/26/258034926.db2.gz BYOPRVBDMPUIMG-WMZOPIPTSA-N 2 2 342.512 3.540 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000247926149 1028827488 /nfs/dbraw/zinc/82/74/88/1028827488.db2.gz BQCOQBWAEJXUET-IPHXSNPTSA-N 2 2 339.458 3.708 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000247926149 1028827506 /nfs/dbraw/zinc/82/75/06/1028827506.db2.gz BQCOQBWAEJXUET-IPHXSNPTSA-N 2 2 339.458 3.708 10 0 EHAELP CCCCc1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000106162969 1037609733 /nfs/dbraw/zinc/60/97/33/1037609733.db2.gz WSKWCSYPYSAFIM-UHFFFAOYSA-N 2 2 332.517 3.674 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000163514598 1043956662 /nfs/dbraw/zinc/95/66/62/1043956662.db2.gz DUQCNHVTHIKMHA-GQWLDOHISA-N 2 2 339.458 3.708 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000163514598 1043956676 /nfs/dbraw/zinc/95/66/76/1043956676.db2.gz DUQCNHVTHIKMHA-GQWLDOHISA-N 2 2 339.458 3.708 10 0 EHAELP COc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1ccc(C)cc1 ZINC000020873973 212180236 /nfs/dbraw/zinc/18/02/36/212180236.db2.gz VCWNCKBMZRVNLL-UHFFFAOYSA-N 2 2 342.483 3.624 10 0 EHAELP CCCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070456055 521379330 /nfs/dbraw/zinc/37/93/30/521379330.db2.gz YPOAXVQALZWFAD-UHFFFAOYSA-N 2 2 328.435 3.647 10 0 EHAELP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247222284 1028760278 /nfs/dbraw/zinc/76/02/78/1028760278.db2.gz XTMXTRGVELWJLA-CSODHUTKSA-N 2 2 341.474 3.652 10 0 EHAELP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247222284 1028760292 /nfs/dbraw/zinc/76/02/92/1028760292.db2.gz XTMXTRGVELWJLA-CSODHUTKSA-N 2 2 341.474 3.652 10 0 EHAELP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247957783 1028832723 /nfs/dbraw/zinc/83/27/23/1028832723.db2.gz FUMUHWXLJAHILG-YVCBRDFCSA-N 2 2 335.495 3.815 10 0 EHAELP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247957783 1028832737 /nfs/dbraw/zinc/83/27/37/1028832737.db2.gz FUMUHWXLJAHILG-YVCBRDFCSA-N 2 2 335.495 3.815 10 0 EHAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000248754534 1028946881 /nfs/dbraw/zinc/94/68/81/1028946881.db2.gz VMGBGBOEIQUJDJ-JQWIXIFHSA-N 2 2 344.406 3.750 10 0 EHAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000248754534 1028946893 /nfs/dbraw/zinc/94/68/93/1028946893.db2.gz VMGBGBOEIQUJDJ-JQWIXIFHSA-N 2 2 344.406 3.750 10 0 EHAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812721 1030525402 /nfs/dbraw/zinc/52/54/02/1030525402.db2.gz VOHLCTUNTMZYKO-CQSZACIVSA-N 2 2 347.894 3.526 10 0 EHAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812721 1030525415 /nfs/dbraw/zinc/52/54/15/1030525415.db2.gz VOHLCTUNTMZYKO-CQSZACIVSA-N 2 2 347.894 3.526 10 0 EHAELP CCC[C@](C)(C[NH2+]C)C[N@H+](C)Cc1ccccc1Br ZINC000051255362 214085385 /nfs/dbraw/zinc/08/53/85/214085385.db2.gz LWRKUEWDLQZLQC-MRXNPFEDSA-N 2 2 327.310 3.907 10 0 EHAELP CCC[C@](C)(C[NH2+]C)C[N@@H+](C)Cc1ccccc1Br ZINC000051255362 214085389 /nfs/dbraw/zinc/08/53/89/214085389.db2.gz LWRKUEWDLQZLQC-MRXNPFEDSA-N 2 2 327.310 3.907 10 0 EHAELP CC[N@H+]([C@@H](C[NH3+])c1cc(Br)ccc1F)C1CCCC1 ZINC000035765422 213049194 /nfs/dbraw/zinc/04/91/94/213049194.db2.gz LMRFGUDLLMOKME-HNNXBMFYSA-N 2 2 329.257 3.853 10 0 EHAELP CC[N@@H+]([C@@H](C[NH3+])c1cc(Br)ccc1F)C1CCCC1 ZINC000035765422 213049197 /nfs/dbraw/zinc/04/91/97/213049197.db2.gz LMRFGUDLLMOKME-HNNXBMFYSA-N 2 2 329.257 3.853 10 0 EHAELP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000022936208 212337809 /nfs/dbraw/zinc/33/78/09/212337809.db2.gz FCQJFWPHRQBNOJ-FQEVSTJZSA-N 2 2 342.458 3.979 10 0 EHAELP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000022936208 212337812 /nfs/dbraw/zinc/33/78/12/212337812.db2.gz FCQJFWPHRQBNOJ-FQEVSTJZSA-N 2 2 342.458 3.979 10 0 EHAELP [NH3+]C1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000095077199 218273862 /nfs/dbraw/zinc/27/38/62/218273862.db2.gz UJKQOGSSNNWXBM-UHFFFAOYSA-N 2 2 338.430 3.906 10 0 EHAELP [NH3+][C@H]1CCCC[C@@H]1Nc1[nH+]c2ccccc2n1Cc1ccc(F)cc1 ZINC000095077397 218273885 /nfs/dbraw/zinc/27/38/85/218273885.db2.gz WNCBVDUCUVIWEB-IRXDYDNUSA-N 2 2 338.430 3.906 10 0 EHAELP C[N@H+]([C@H](C[NH3+])c1cc(Br)ccc1F)C1CCCCC1 ZINC000019439714 212028508 /nfs/dbraw/zinc/02/85/08/212028508.db2.gz UNUPCBGVYDOFEV-OAHLLOKOSA-N 2 2 329.257 3.853 10 0 EHAELP C[N@@H+]([C@H](C[NH3+])c1cc(Br)ccc1F)C1CCCCC1 ZINC000019439714 212028509 /nfs/dbraw/zinc/02/85/09/212028509.db2.gz UNUPCBGVYDOFEV-OAHLLOKOSA-N 2 2 329.257 3.853 10 0 EHAELP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)o1 ZINC000328626245 258033269 /nfs/dbraw/zinc/03/32/69/258033269.db2.gz DXRPXXYFPBCPHU-CQEAQJRCSA-N 2 2 325.456 3.581 10 0 EHAELP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)o1 ZINC000328626245 258033271 /nfs/dbraw/zinc/03/32/71/258033271.db2.gz DXRPXXYFPBCPHU-CQEAQJRCSA-N 2 2 325.456 3.581 10 0 EHAELP CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000119494234 1033076335 /nfs/dbraw/zinc/07/63/35/1033076335.db2.gz GPCDZRVFKRWSFL-DSKINZAPSA-N 2 2 338.499 3.818 10 0 EHAELP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000119494234 1033076356 /nfs/dbraw/zinc/07/63/56/1033076356.db2.gz GPCDZRVFKRWSFL-DSKINZAPSA-N 2 2 338.499 3.818 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1F ZINC000153482379 1027988588 /nfs/dbraw/zinc/98/85/88/1027988588.db2.gz PWWNKDFFIVRAMK-FTRWYGJKSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1F ZINC000153482379 1027988601 /nfs/dbraw/zinc/98/86/01/1027988601.db2.gz PWWNKDFFIVRAMK-FTRWYGJKSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(F)c1 ZINC000248052235 1028843014 /nfs/dbraw/zinc/84/30/14/1028843014.db2.gz WQTKCNGKVRDTIU-GQIGUUNPSA-N 2 2 327.447 3.782 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(F)c1 ZINC000248052235 1028843034 /nfs/dbraw/zinc/84/30/34/1028843034.db2.gz WQTKCNGKVRDTIU-GQIGUUNPSA-N 2 2 327.447 3.782 10 0 EHAELP Cc1noc(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248183219 1028858636 /nfs/dbraw/zinc/85/86/36/1028858636.db2.gz WUQXHIPOXZTFMZ-FPOVZHCZSA-N 2 2 339.483 3.778 10 0 EHAELP Cc1noc(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248183219 1028858655 /nfs/dbraw/zinc/85/86/55/1028858655.db2.gz WUQXHIPOXZTFMZ-FPOVZHCZSA-N 2 2 339.483 3.778 10 0 EHAELP Cc1noc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248183219 1028858674 /nfs/dbraw/zinc/85/86/74/1028858674.db2.gz WUQXHIPOXZTFMZ-FPOVZHCZSA-N 2 2 339.483 3.778 10 0 EHAELP Cc1noc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248183219 1028858695 /nfs/dbraw/zinc/85/86/95/1028858695.db2.gz WUQXHIPOXZTFMZ-FPOVZHCZSA-N 2 2 339.483 3.778 10 0 EHAELP CC[NH2+]C[C@](C)(CC)C[N@H+](C)Cc1ccccc1Br ZINC000051255426 214084243 /nfs/dbraw/zinc/08/42/43/214084243.db2.gz AIQOZYNWYXTOMU-INIZCTEOSA-N 2 2 327.310 3.907 10 0 EHAELP CC[NH2+]C[C@](C)(CC)C[N@@H+](C)Cc1ccccc1Br ZINC000051255426 214084247 /nfs/dbraw/zinc/08/42/47/214084247.db2.gz AIQOZYNWYXTOMU-INIZCTEOSA-N 2 2 327.310 3.907 10 0 EHAELP C[N@@H+]1CCCC[C@H]1CC[NH2+]Cc1cc(F)ccc1Br ZINC000052205719 214121105 /nfs/dbraw/zinc/12/11/05/214121105.db2.gz GMHBOBIKJWOLLR-AWEZNQCLSA-N 2 2 329.257 3.552 10 0 EHAELP C[N@H+]1CCCC[C@H]1CC[NH2+]Cc1cc(F)ccc1Br ZINC000052205719 214121107 /nfs/dbraw/zinc/12/11/07/214121107.db2.gz GMHBOBIKJWOLLR-AWEZNQCLSA-N 2 2 329.257 3.552 10 0 EHAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccn3Cc3cccs3)CC[C@H]21 ZINC000246780260 1028689969 /nfs/dbraw/zinc/68/99/69/1028689969.db2.gz QEXWMVDEMIIQER-VQIMIIECSA-N 2 2 329.513 3.514 10 0 EHAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccn3Cc3cccs3)CC[C@H]21 ZINC000246780260 1028689979 /nfs/dbraw/zinc/68/99/79/1028689979.db2.gz QEXWMVDEMIIQER-VQIMIIECSA-N 2 2 329.513 3.514 10 0 EHAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccn3Cc3cccs3)CC[C@H]21 ZINC000246780260 1028689983 /nfs/dbraw/zinc/68/99/83/1028689983.db2.gz QEXWMVDEMIIQER-VQIMIIECSA-N 2 2 329.513 3.514 10 0 EHAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccn3Cc3cccs3)CC[C@H]21 ZINC000246780260 1028689986 /nfs/dbraw/zinc/68/99/86/1028689986.db2.gz QEXWMVDEMIIQER-VQIMIIECSA-N 2 2 329.513 3.514 10 0 EHAELP Cc1oc(-c2cccs2)nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247110852 1028778760 /nfs/dbraw/zinc/77/87/60/1028778760.db2.gz ACLFZMYCGWLPIP-HOCLYGCPSA-N 2 2 331.485 3.628 10 0 EHAELP Cc1oc(-c2cccs2)nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247110852 1028778776 /nfs/dbraw/zinc/77/87/76/1028778776.db2.gz ACLFZMYCGWLPIP-HOCLYGCPSA-N 2 2 331.485 3.628 10 0 EHAELP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247110852 1028778787 /nfs/dbraw/zinc/77/87/87/1028778787.db2.gz ACLFZMYCGWLPIP-HOCLYGCPSA-N 2 2 331.485 3.628 10 0 EHAELP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247110852 1028778804 /nfs/dbraw/zinc/77/88/04/1028778804.db2.gz ACLFZMYCGWLPIP-HOCLYGCPSA-N 2 2 331.485 3.628 10 0 EHAELP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000178439518 1031663761 /nfs/dbraw/zinc/66/37/61/1031663761.db2.gz UMKNEEJUIXISMN-DHSIGJKJSA-N 2 2 344.528 3.716 10 0 EHAELP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000178439518 1031663768 /nfs/dbraw/zinc/66/37/68/1031663768.db2.gz UMKNEEJUIXISMN-DHSIGJKJSA-N 2 2 344.528 3.716 10 0 EHAELP C[N@H+]([C@@H](C[NH3+])c1ccc(Br)cc1F)C1CCCCC1 ZINC000036985259 213128061 /nfs/dbraw/zinc/12/80/61/213128061.db2.gz VBYGWWIBHRGFQK-HNNXBMFYSA-N 2 2 329.257 3.853 10 0 EHAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(Br)cc1F)C1CCCCC1 ZINC000036985259 213128063 /nfs/dbraw/zinc/12/80/63/213128063.db2.gz VBYGWWIBHRGFQK-HNNXBMFYSA-N 2 2 329.257 3.853 10 0 EHAELP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000072359248 216165486 /nfs/dbraw/zinc/16/54/86/216165486.db2.gz RKSBMJGEEWNGKB-QGZVFWFLSA-N 2 2 348.454 3.518 10 0 EHAELP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000072359248 216165491 /nfs/dbraw/zinc/16/54/91/216165491.db2.gz RKSBMJGEEWNGKB-QGZVFWFLSA-N 2 2 348.454 3.518 10 0 EHAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(Br)cc1 ZINC000019960393 212090275 /nfs/dbraw/zinc/09/02/75/212090275.db2.gz NEZQTWHQBGJCKQ-HOTGVXAUSA-N 2 2 325.294 3.974 10 0 EHAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(Br)cc1 ZINC000019960393 212090276 /nfs/dbraw/zinc/09/02/76/212090276.db2.gz NEZQTWHQBGJCKQ-HOTGVXAUSA-N 2 2 325.294 3.974 10 0 EHAELP CC(C)c1nc(C[N@@H+]2CCC[C@H](Nc3ccc(N)[nH+]c3)CC2)cs1 ZINC000328626904 564137022 /nfs/dbraw/zinc/13/70/22/564137022.db2.gz FPGQGCJYLLBUSX-AWEZNQCLSA-N 2 2 345.516 3.541 10 0 EHAELP CC(C)c1nc(C[N@H+]2CCC[C@H](Nc3ccc(N)[nH+]c3)CC2)cs1 ZINC000328626904 564137023 /nfs/dbraw/zinc/13/70/23/564137023.db2.gz FPGQGCJYLLBUSX-AWEZNQCLSA-N 2 2 345.516 3.541 10 0 EHAELP CC[NH2+]C[C@@](C)(CC)C[N@H+](C)Cc1ccccc1Br ZINC000051255428 214084312 /nfs/dbraw/zinc/08/43/12/214084312.db2.gz AIQOZYNWYXTOMU-MRXNPFEDSA-N 2 2 327.310 3.907 10 0 EHAELP CC[NH2+]C[C@@](C)(CC)C[N@@H+](C)Cc1ccccc1Br ZINC000051255428 214084314 /nfs/dbraw/zinc/08/43/14/214084314.db2.gz AIQOZYNWYXTOMU-MRXNPFEDSA-N 2 2 327.310 3.907 10 0 EHAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104415160 219384851 /nfs/dbraw/zinc/38/48/51/219384851.db2.gz BPTMPQDKTXZSOI-DLKVLKDVSA-N 2 2 325.294 3.815 10 0 EHAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104415160 219384853 /nfs/dbraw/zinc/38/48/53/219384853.db2.gz BPTMPQDKTXZSOI-DLKVLKDVSA-N 2 2 325.294 3.815 10 0 EHAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000247979439 1028836785 /nfs/dbraw/zinc/83/67/85/1028836785.db2.gz IFMGLUXQRKFBGD-SXSPYAJSSA-N 2 2 349.522 3.903 10 0 EHAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000247979439 1028836799 /nfs/dbraw/zinc/83/67/99/1028836799.db2.gz IFMGLUXQRKFBGD-SXSPYAJSSA-N 2 2 349.522 3.903 10 0 EHAELP COc1ccc(Cl)cc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165229 1037608978 /nfs/dbraw/zinc/60/89/78/1037608978.db2.gz LAJQPYUMSNDHJQ-UHFFFAOYSA-N 2 2 333.863 3.537 10 0 EHAELP [NH3+]CCCCCCc1[nH]cc(-c2ccc(Br)s2)[nH+]1 ZINC000038002401 213186971 /nfs/dbraw/zinc/18/69/71/213186971.db2.gz AJULHCHFUVFSKD-UHFFFAOYSA-N 2 2 328.279 3.962 10 0 EHAELP [NH3+][C@H]1CCCC[C@H]1Nc1[nH+]c2ccccc2n1Cc1ccccc1F ZINC000095077408 218273731 /nfs/dbraw/zinc/27/37/31/218273731.db2.gz DALOZBNMWWNXCT-DLBZAZTESA-N 2 2 338.430 3.906 10 0 EHAELP Cc1ccc(COc2ccccc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000010314116 563646851 /nfs/dbraw/zinc/64/68/51/563646851.db2.gz BGQICQLOBCMDPJ-UHFFFAOYSA-N 2 2 335.451 3.950 10 0 EHAELP c1cc([C@@H]2CCC[NH+]2CCC[N@@H+]2CCC[C@H]2c2ccncc2)ccn1 ZINC000245609551 1028918515 /nfs/dbraw/zinc/91/85/15/1028918515.db2.gz NUAUOFAUOCBVEA-SFTDATJTSA-N 2 2 336.483 3.841 10 0 EHAELP c1cc([C@@H]2CCC[NH+]2CCC[N@H+]2CCC[C@H]2c2ccncc2)ccn1 ZINC000245609551 1028918532 /nfs/dbraw/zinc/91/85/32/1028918532.db2.gz NUAUOFAUOCBVEA-SFTDATJTSA-N 2 2 336.483 3.841 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)nc1 ZINC000245613727 1028926622 /nfs/dbraw/zinc/92/66/22/1028926622.db2.gz KSWXELMSKYJSFZ-RLFYNMQTSA-N 2 2 344.890 3.691 10 0 EHAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)nc1 ZINC000245613727 1028926634 /nfs/dbraw/zinc/92/66/34/1028926634.db2.gz KSWXELMSKYJSFZ-RLFYNMQTSA-N 2 2 344.890 3.691 10 0 EHAELP CCn1cc(C[N@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)c(C)n1 ZINC000097675233 219047327 /nfs/dbraw/zinc/04/73/27/219047327.db2.gz GXNOVGOOQMJKKT-UHFFFAOYSA-N 2 2 332.517 3.501 10 0 EHAELP CCn1cc(C[N@@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)c(C)n1 ZINC000097675233 219047330 /nfs/dbraw/zinc/04/73/30/219047330.db2.gz GXNOVGOOQMJKKT-UHFFFAOYSA-N 2 2 332.517 3.501 10 0 EHAELP c1coc(-c2ncc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)c1 ZINC000248725136 1028941196 /nfs/dbraw/zinc/94/11/96/1028941196.db2.gz ICZIZNODQCUVFU-YOEHRIQHSA-N 2 2 343.496 3.852 10 0 EHAELP c1coc(-c2ncc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)c1 ZINC000248725136 1028941203 /nfs/dbraw/zinc/94/12/03/1028941203.db2.gz ICZIZNODQCUVFU-YOEHRIQHSA-N 2 2 343.496 3.852 10 0 EHAELP c1coc(-c2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)s2)c1 ZINC000248725136 1028941218 /nfs/dbraw/zinc/94/12/18/1028941218.db2.gz ICZIZNODQCUVFU-YOEHRIQHSA-N 2 2 343.496 3.852 10 0 EHAELP c1coc(-c2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)s2)c1 ZINC000248725136 1028941230 /nfs/dbraw/zinc/94/12/30/1028941230.db2.gz ICZIZNODQCUVFU-YOEHRIQHSA-N 2 2 343.496 3.852 10 0 EHAELP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1nc2ccccc2n1C ZINC000091312652 1030256571 /nfs/dbraw/zinc/25/65/71/1030256571.db2.gz UKILBYKAVQLFTM-INIZCTEOSA-N 2 2 340.515 3.879 10 0 EHAELP CC(C)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000053658118 214192520 /nfs/dbraw/zinc/19/25/20/214192520.db2.gz SALLPCVCUWNLAU-ZDUSSCGKSA-N 2 2 345.350 3.968 10 0 EHAELP CC(C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000053658118 214192522 /nfs/dbraw/zinc/19/25/22/214192522.db2.gz SALLPCVCUWNLAU-ZDUSSCGKSA-N 2 2 345.350 3.968 10 0 EHAELP C[C@@H]([NH3+])[C@@H](c1ccccc1Br)[N@H+](C)CC1CCCC1 ZINC000104366242 219379702 /nfs/dbraw/zinc/37/97/02/219379702.db2.gz YIDQSAVRCSPKSN-WBMJQRKESA-N 2 2 325.294 3.959 10 0 EHAELP C[C@@H]([NH3+])[C@@H](c1ccccc1Br)[N@@H+](C)CC1CCCC1 ZINC000104366242 219379703 /nfs/dbraw/zinc/37/97/03/219379703.db2.gz YIDQSAVRCSPKSN-WBMJQRKESA-N 2 2 325.294 3.959 10 0 EHAELP CC[N@H+]([C@H](C[NH3+])c1ccc(OC)c(Br)c1)C1CCCC1 ZINC000038052137 213198705 /nfs/dbraw/zinc/19/87/05/213198705.db2.gz RVKHXZJWCMTRJH-OAHLLOKOSA-N 2 2 341.293 3.722 10 0 EHAELP CC[N@@H+]([C@H](C[NH3+])c1ccc(OC)c(Br)c1)C1CCCC1 ZINC000038052137 213198707 /nfs/dbraw/zinc/19/87/07/213198707.db2.gz RVKHXZJWCMTRJH-OAHLLOKOSA-N 2 2 341.293 3.722 10 0 EHAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Br)cc1F ZINC000035586452 213040748 /nfs/dbraw/zinc/04/07/48/213040748.db2.gz ULGPHUCMJPQBAC-ZDUSSCGKSA-N 2 2 326.213 3.595 10 0 EHAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(C(C)(C)C)n2)[C@@H]1c1cccnc1 ZINC000328636131 258026247 /nfs/dbraw/zinc/02/62/47/258026247.db2.gz NWKUADKOTFLPBV-RDJZCZTQSA-N 2 2 344.528 3.618 10 0 EHAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2csc(C(C)(C)C)n2)[C@@H]1c1cccnc1 ZINC000328636131 258026249 /nfs/dbraw/zinc/02/62/49/258026249.db2.gz NWKUADKOTFLPBV-RDJZCZTQSA-N 2 2 344.528 3.618 10 0 EHAELP