smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000002939302 132260143 /nfs/dbraw/zinc/26/01/43/132260143.db2.gz JVKCUNDONDXVPP-UHFFFAOYSA-N 1 2 402.498 3.421 50 0 HGAALO Cc1[nH+]c2ccccc2n1CCc1nc2c3ccccc3nc(N3CCOCC3)n2n1 ZINC000006739399 132314354 /nfs/dbraw/zinc/31/43/54/132314354.db2.gz IVJGJWFFQMCNFB-UHFFFAOYSA-N 1 2 413.485 3.015 50 0 HGAALO Cc1cc(C)c2c(nn3c2nc(C)cc3N2CCN(C3=[NH+]CC(C)(C)S3)CC2)n1 ZINC000006759864 132315135 /nfs/dbraw/zinc/31/51/35/132315135.db2.gz PROLUQMJQCVGJS-UHFFFAOYSA-N 1 2 409.563 3.206 50 0 HGAALO Cc1[nH+]c(SCc2ccc(C(=O)NCC3CC3)cc2)nc(N2CCOCC2)c1C ZINC000006801876 132317416 /nfs/dbraw/zinc/31/74/16/132317416.db2.gz GCDFXRQNJABTQA-UHFFFAOYSA-N 1 2 412.559 3.362 50 0 HGAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(N2CCOCC2)cc1 ZINC000008706886 132332258 /nfs/dbraw/zinc/33/22/58/132332258.db2.gz DTXRJJOMJYTOCW-FQEVSTJZSA-N 1 2 415.559 3.204 50 0 HGAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(N2CCOCC2)cc1 ZINC000008706886 132332260 /nfs/dbraw/zinc/33/22/60/132332260.db2.gz DTXRJJOMJYTOCW-FQEVSTJZSA-N 1 2 415.559 3.204 50 0 HGAALO Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000008985086 132334524 /nfs/dbraw/zinc/33/45/24/132334524.db2.gz OQRRDMXBPINOTD-UHFFFAOYSA-N 1 2 406.486 3.157 50 0 HGAALO O=C(c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000009883754 132343945 /nfs/dbraw/zinc/34/39/45/132343945.db2.gz AOYSGPXHFVABNJ-JOCHJYFZSA-N 1 2 413.477 3.498 50 0 HGAALO O=C(CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000018179704 132465960 /nfs/dbraw/zinc/46/59/60/132465960.db2.gz KOHKRNTVKPAPFE-UHFFFAOYSA-N 1 2 421.545 3.139 50 0 HGAALO CCCC(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2F)CC1 ZINC000022851550 132476069 /nfs/dbraw/zinc/47/60/69/132476069.db2.gz XWZHBWSFLGYGGD-FQEVSTJZSA-N 1 2 413.493 3.334 50 0 HGAALO CC[N@H+](CC(=O)NC(C)C)CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000032856057 520324482 /nfs/dbraw/zinc/32/44/82/520324482.db2.gz YLQCASTVYWDNPL-HXUWFJFHSA-N 1 2 405.589 3.130 50 0 HGAALO CC[N@@H+](CC(=O)NC(C)C)CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000032856057 520324486 /nfs/dbraw/zinc/32/44/86/520324486.db2.gz YLQCASTVYWDNPL-HXUWFJFHSA-N 1 2 405.589 3.130 50 0 HGAALO CC1(C)Cc2cccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)c2O1 ZINC000024096655 520581600 /nfs/dbraw/zinc/58/16/00/520581600.db2.gz LFSCCOUGZFMLBK-UHFFFAOYSA-N 1 2 422.525 3.058 50 0 HGAALO COc1ccc(CN2CC[N@H+](Cc3cccc(C(C)=O)c3)C[C@@H]2CCO)c(F)c1 ZINC000020541053 524033136 /nfs/dbraw/zinc/03/31/36/524033136.db2.gz WFTUTWHAHGNZOR-NRFANRHFSA-N 1 2 400.494 3.106 50 0 HGAALO COc1ccc(CN2CC[N@@H+](Cc3cccc(C(C)=O)c3)C[C@@H]2CCO)c(F)c1 ZINC000020541053 524033138 /nfs/dbraw/zinc/03/31/38/524033138.db2.gz WFTUTWHAHGNZOR-NRFANRHFSA-N 1 2 400.494 3.106 50 0 HGAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 ZINC000040162113 524952656 /nfs/dbraw/zinc/95/26/56/524952656.db2.gz VJZRXQWPSPZOPT-UHFFFAOYSA-N 1 2 406.429 3.133 50 0 HGAALO COc1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c2cccnc12 ZINC000032932956 525075458 /nfs/dbraw/zinc/07/54/58/525075458.db2.gz KFHFAOGCIQZMRN-IBGZPJMESA-N 1 2 408.483 3.045 50 0 HGAALO Cc1cc(N2CCN(C(=O)Nc3cccc(-c4nnco4)c3)CC2)nc(C(C)C)[nH+]1 ZINC000044086321 525075941 /nfs/dbraw/zinc/07/59/41/525075941.db2.gz USESLEXYQBTPCA-UHFFFAOYSA-N 1 2 407.478 3.313 50 0 HGAALO COc1ccc([C@@H](NC(=O)NCCCc2nc3ccccc3[nH]2)c2[nH+]ccn2C)cc1 ZINC000032809206 525196729 /nfs/dbraw/zinc/19/67/29/525196729.db2.gz YXAKYYRIBKVTSQ-OAQYLSRUSA-N 1 2 418.501 3.326 50 0 HGAALO COc1ccc([C@H](NC(=O)NCCCc2nc3ccccc3[nH]2)c2[nH+]ccn2C)cc1 ZINC000032809207 525367386 /nfs/dbraw/zinc/36/73/86/525367386.db2.gz YXAKYYRIBKVTSQ-NRFANRHFSA-N 1 2 418.501 3.326 50 0 HGAALO Cc1ccn2cc(CNC(=O)C3(NC(=O)NCc4ccccc4)CCCC3)[nH+]c2c1 ZINC000040158086 525617931 /nfs/dbraw/zinc/61/79/31/525617931.db2.gz OYFCEAQFAYXNAD-UHFFFAOYSA-N 1 2 405.502 3.071 50 0 HGAALO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000032924276 525932068 /nfs/dbraw/zinc/93/20/68/525932068.db2.gz JBGUISCNWJHTKM-GFCCVEGCSA-N 1 2 406.255 3.362 50 0 HGAALO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000012631207 535418927 /nfs/dbraw/zinc/41/89/27/535418927.db2.gz NKLPNUJVORBNQT-UHFFFAOYSA-N 1 2 423.542 3.018 50 0 HGAALO Cn1cccc1C[N@@H+]1CCc2nc(N3CCOCC3)nc(Oc3cccc(F)c3)c2C1 ZINC000034756020 557458359 /nfs/dbraw/zinc/45/83/59/557458359.db2.gz GLQDOKKHGWCJFT-UHFFFAOYSA-N 1 2 423.492 3.141 50 0 HGAALO Cn1cccc1C[N@H+]1CCc2nc(N3CCOCC3)nc(Oc3cccc(F)c3)c2C1 ZINC000034756020 557458362 /nfs/dbraw/zinc/45/83/62/557458362.db2.gz GLQDOKKHGWCJFT-UHFFFAOYSA-N 1 2 423.492 3.141 50 0 HGAALO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)C2CC2)cc1 ZINC000034857470 557477617 /nfs/dbraw/zinc/47/76/17/557477617.db2.gz DKKZWJOFOQJROK-OAQYLSRUSA-N 1 2 410.514 3.338 50 0 HGAALO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)C2CC2)cc1 ZINC000034857470 557477619 /nfs/dbraw/zinc/47/76/19/557477619.db2.gz DKKZWJOFOQJROK-OAQYLSRUSA-N 1 2 410.514 3.338 50 0 HGAALO CC(C)C(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022851501 557839299 /nfs/dbraw/zinc/83/92/99/557839299.db2.gz IPNFEQRKQLVKIS-HXUWFJFHSA-N 1 2 413.493 3.190 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)cc1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000022854083 557840817 /nfs/dbraw/zinc/84/08/17/557840817.db2.gz KDBGTGKCXKCSHI-MRXNPFEDSA-N 1 2 418.494 3.126 50 0 HGAALO OCC[C@H]1C[N@H+](Cc2cccn2-c2nccs2)CCN1Cc1ccc(F)c(F)c1 ZINC000019795042 558284306 /nfs/dbraw/zinc/28/43/06/558284306.db2.gz UKYVNWXADFIMCZ-KRWDZBQOSA-N 1 2 418.513 3.281 50 0 HGAALO OCC[C@H]1C[N@@H+](Cc2cccn2-c2nccs2)CCN1Cc1ccc(F)c(F)c1 ZINC000019795042 558284309 /nfs/dbraw/zinc/28/43/09/558284309.db2.gz UKYVNWXADFIMCZ-KRWDZBQOSA-N 1 2 418.513 3.281 50 0 HGAALO OCC[C@H]1CN(Cc2cccn2-c2nccs2)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000019795042 558284312 /nfs/dbraw/zinc/28/43/12/558284312.db2.gz UKYVNWXADFIMCZ-KRWDZBQOSA-N 1 2 418.513 3.281 50 0 HGAALO OCC[C@H]1CN(Cc2cccn2-c2nccs2)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000019795042 558284315 /nfs/dbraw/zinc/28/43/15/558284315.db2.gz UKYVNWXADFIMCZ-KRWDZBQOSA-N 1 2 418.513 3.281 50 0 HGAALO CCS(=O)(=O)c1ncc(C[N@@H+]2CCC[C@H](c3cccc(C)c3)C2)n1CCOC ZINC000019837982 558293330 /nfs/dbraw/zinc/29/33/30/558293330.db2.gz AWIVUEYOAYUGQW-IBGZPJMESA-N 1 2 405.564 3.011 50 0 HGAALO CCS(=O)(=O)c1ncc(C[N@H+]2CCC[C@H](c3cccc(C)c3)C2)n1CCOC ZINC000019837982 558293334 /nfs/dbraw/zinc/29/33/34/558293334.db2.gz AWIVUEYOAYUGQW-IBGZPJMESA-N 1 2 405.564 3.011 50 0 HGAALO CCc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C(C)=O)cc3OC)CC2)cc1 ZINC000019857453 558296532 /nfs/dbraw/zinc/29/65/32/558296532.db2.gz XQMSDMKNALRTQC-JOCHJYFZSA-N 1 2 412.530 3.022 50 0 HGAALO COc1cccc2c1OCC(CN1CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C1)=C2 ZINC000020118987 558336749 /nfs/dbraw/zinc/33/67/49/558336749.db2.gz XROAHWPSGHPTKV-NRFANRHFSA-N 1 2 412.505 3.179 50 0 HGAALO COc1cccc2c1OCC(CN1CC[N@@H+](Cc3ccccc3F)[C@@H](CCO)C1)=C2 ZINC000020118987 558336752 /nfs/dbraw/zinc/33/67/52/558336752.db2.gz XROAHWPSGHPTKV-NRFANRHFSA-N 1 2 412.505 3.179 50 0 HGAALO O=C(Cc1ccc(Br)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020158549 558342374 /nfs/dbraw/zinc/34/23/74/558342374.db2.gz GHCBIMMNPASMRJ-UHFFFAOYSA-N 1 2 417.303 3.065 50 0 HGAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)Nc4ccccc4)CC3)c2c1 ZINC000020213181 558347874 /nfs/dbraw/zinc/34/78/74/558347874.db2.gz LKTLVQNZUMFEIK-UHFFFAOYSA-N 1 2 405.498 3.112 50 0 HGAALO COc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000020274271 558353345 /nfs/dbraw/zinc/35/33/45/558353345.db2.gz FPXWHXQWVRRCMZ-UHFFFAOYSA-N 1 2 407.436 3.470 50 0 HGAALO Cc1cccc(NC(=O)CN2CC[NH+](Cc3cc(=O)oc4cc(C)ccc34)CC2)c1 ZINC000020408233 558360636 /nfs/dbraw/zinc/36/06/36/558360636.db2.gz HMLYMKBTVPFYSZ-UHFFFAOYSA-N 1 2 405.498 3.166 50 0 HGAALO Cc1ccc(C[C@@]2(CCC(=O)N3CCCC[C@H]3c3[nH+]ccn3C)CCC(=O)N2)cc1 ZINC000012242495 558360740 /nfs/dbraw/zinc/36/07/40/558360740.db2.gz DWIZOBKIHPZGFP-RDPSFJRHSA-N 1 2 408.546 3.454 50 0 HGAALO CCCC[C@@H]1C[N@H+](CC(=O)NC2CCN(C(=O)OCC)CC2)Cc2ccccc2O1 ZINC000012278396 558364650 /nfs/dbraw/zinc/36/46/50/558364650.db2.gz YYLBXEXBSPMKKM-HXUWFJFHSA-N 1 2 417.550 3.177 50 0 HGAALO CCCC[C@@H]1C[N@@H+](CC(=O)NC2CCN(C(=O)OCC)CC2)Cc2ccccc2O1 ZINC000012278396 558364653 /nfs/dbraw/zinc/36/46/53/558364653.db2.gz YYLBXEXBSPMKKM-HXUWFJFHSA-N 1 2 417.550 3.177 50 0 HGAALO COc1ccc(-c2noc(C[N@H+](C)C[C@H]3Cc4ccccc4O3)n2)c(OC)c1OC ZINC000012385433 558394546 /nfs/dbraw/zinc/39/45/46/558394546.db2.gz POELEUWFWSTVOK-OAHLLOKOSA-N 1 2 411.458 3.198 50 0 HGAALO COc1ccc(-c2noc(C[N@@H+](C)C[C@H]3Cc4ccccc4O3)n2)c(OC)c1OC ZINC000012385433 558394547 /nfs/dbraw/zinc/39/45/47/558394547.db2.gz POELEUWFWSTVOK-OAHLLOKOSA-N 1 2 411.458 3.198 50 0 HGAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(Cc3nc(-c4cccs4)oc3C)C2)CC1 ZINC000020877882 558419630 /nfs/dbraw/zinc/41/96/30/558419630.db2.gz QGGJOZXIBQOTJB-KRWDZBQOSA-N 1 2 418.563 3.450 50 0 HGAALO CCc1nn2c(nc(C[N@H+](C)Cc3cc(Br)ccc3OC)cc2=O)s1 ZINC000020962019 558424899 /nfs/dbraw/zinc/42/48/99/558424899.db2.gz UAYXUWZDZAMELK-UHFFFAOYSA-N 1 2 423.336 3.117 50 0 HGAALO CCc1nn2c(nc(C[N@@H+](C)Cc3cc(Br)ccc3OC)cc2=O)s1 ZINC000020962019 558424900 /nfs/dbraw/zinc/42/49/00/558424900.db2.gz UAYXUWZDZAMELK-UHFFFAOYSA-N 1 2 423.336 3.117 50 0 HGAALO C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022018331 558457952 /nfs/dbraw/zinc/45/79/52/558457952.db2.gz AIFAPHFEKNXRGS-INIZCTEOSA-N 1 2 411.575 3.315 50 0 HGAALO Cc1ccc(-c2noc(CCC(=O)NCc3ccccc3C[NH+]3CCOCC3)n2)cc1 ZINC000022056700 558460019 /nfs/dbraw/zinc/46/00/19/558460019.db2.gz PUNTVDBZFOVBEB-UHFFFAOYSA-N 1 2 420.513 3.126 50 0 HGAALO COC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000012805989 558473629 /nfs/dbraw/zinc/47/36/29/558473629.db2.gz IEXMACKVAJUIBT-QHCPKHFHSA-N 1 2 417.509 3.401 50 0 HGAALO COC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000012805989 558473631 /nfs/dbraw/zinc/47/36/31/558473631.db2.gz IEXMACKVAJUIBT-QHCPKHFHSA-N 1 2 417.509 3.401 50 0 HGAALO COc1ccc([C@H](CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)NC(C)=O)cc1 ZINC000022290821 558476550 /nfs/dbraw/zinc/47/65/50/558476550.db2.gz QBMRAQKFFVCGCB-IBGZPJMESA-N 1 2 416.547 3.344 50 0 HGAALO Cc1cccn2cc(CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH+]c12 ZINC000013059685 558509711 /nfs/dbraw/zinc/50/97/11/558509711.db2.gz CAECNDXPYJAYRT-UHFFFAOYSA-N 1 2 412.559 3.273 50 0 HGAALO COc1cc(C)c(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccc(F)cc3)CC2)cc1OC ZINC000022783701 558510331 /nfs/dbraw/zinc/51/03/31/558510331.db2.gz ZEMGRIXWANUDQE-KRWDZBQOSA-N 1 2 415.509 3.296 50 0 HGAALO CCc1cccc2c(C(=O)CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c[nH]c21 ZINC000022786166 558511016 /nfs/dbraw/zinc/51/10/16/558511016.db2.gz LMCNKZDDNDLPBL-UHFFFAOYSA-N 1 2 405.498 3.460 50 0 HGAALO CCOc1cc2c(cc1NC(=O)CN1CC[NH+](Cc3ccsc3)CC1)O[C@@H](C)C2 ZINC000022849182 558516542 /nfs/dbraw/zinc/51/65/42/558516542.db2.gz XTULRLXGOXETMV-INIZCTEOSA-N 1 2 415.559 3.227 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccc(Br)cc1F ZINC000022912541 558519988 /nfs/dbraw/zinc/51/99/88/558519988.db2.gz PIQKERRGZMKMBL-UHFFFAOYSA-N 1 2 412.328 3.406 50 0 HGAALO O=C([C@H](c1ccccc1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1)N1CCCCC1 ZINC000022926294 558523250 /nfs/dbraw/zinc/52/32/50/558523250.db2.gz VWBKVGNQESJMBY-DEOSSOPVSA-N 1 2 417.557 3.206 50 0 HGAALO COc1cc(C)c(C[NH+]2CCN(C(=O)CSc3nc(C)cs3)CC2)cc1OC ZINC000023014934 558530318 /nfs/dbraw/zinc/53/03/18/558530318.db2.gz ZWSTZYHYUVVABS-UHFFFAOYSA-N 1 2 421.588 3.214 50 0 HGAALO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc(Cl)cc1)CC(=O)N2 ZINC000013637521 558554694 /nfs/dbraw/zinc/55/46/94/558554694.db2.gz AZIDRVNTPDKCQN-ZDUSSCGKSA-N 1 2 400.870 3.417 50 0 HGAALO O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023763374 558575219 /nfs/dbraw/zinc/57/52/19/558575219.db2.gz FISMREXKQZRUKA-QHCPKHFHSA-N 1 2 422.525 3.137 50 0 HGAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000023864625 558578193 /nfs/dbraw/zinc/57/81/93/558578193.db2.gz YGGOEJOXWCCGPB-HSZRJFAPSA-N 1 2 400.526 3.304 50 0 HGAALO Cc1ccc(-c2nnc(CCC(=O)NCc3ccccc3C[NH+]3CCOCC3)o2)cc1 ZINC000023872930 558578653 /nfs/dbraw/zinc/57/86/53/558578653.db2.gz BIRCJQGJJZXKJJ-UHFFFAOYSA-N 1 2 420.513 3.126 50 0 HGAALO CNC(=O)NC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000023995957 558584270 /nfs/dbraw/zinc/58/42/70/558584270.db2.gz DQLPDZZDPIRGNO-KRWDZBQOSA-N 1 2 420.307 3.086 50 0 HGAALO CNC(=O)NC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000023995957 558584271 /nfs/dbraw/zinc/58/42/71/558584271.db2.gz DQLPDZZDPIRGNO-KRWDZBQOSA-N 1 2 420.307 3.086 50 0 HGAALO COc1cccc([C@@H](NC(=O)CCc2nnc(-c3ccccc3)o2)c2[nH+]ccn2C)c1 ZINC000024019561 558584871 /nfs/dbraw/zinc/58/48/71/558584871.db2.gz OMPVWIWSMCOFJZ-OAQYLSRUSA-N 1 2 417.469 3.317 50 0 HGAALO COc1ccc([C@H](NC(=O)C[C@H]2Sc3ccccc3NC2=O)c2[nH+]ccn2C)cc1 ZINC000024025203 558585151 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ONZSMPABEHQMOI-QFIPXVFZSA-N 1 2 407.558 3.419 50 0 HGAALO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057058650 558887337 /nfs/dbraw/zinc/88/73/37/558887337.db2.gz CMRYWKGKTPVKBY-KRWDZBQOSA-N 1 2 420.513 3.412 50 0 HGAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000058160826 558905363 /nfs/dbraw/zinc/90/53/63/558905363.db2.gz LZQBVFSSQMGXFH-UHFFFAOYSA-N 1 2 409.820 3.422 50 0 HGAALO CCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000058162292 558906088 /nfs/dbraw/zinc/90/60/88/558906088.db2.gz KCGPBZHGTWNQKN-QGZVFWFLSA-N 1 2 410.518 3.193 50 0 HGAALO CCOC(=O)N[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)CC(C)C ZINC000058223142 558913164 /nfs/dbraw/zinc/91/31/64/558913164.db2.gz DVKNMBKMNWHXJO-RTBURBONSA-N 1 2 407.580 3.054 50 0 HGAALO Cc1cccc2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc(-c3cnn(C)c3)nc12 ZINC000063832731 558959041 /nfs/dbraw/zinc/95/90/41/558959041.db2.gz NCUKWEAYALTANN-UHFFFAOYSA-N 1 2 412.497 3.301 50 0 HGAALO C[C@@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022025274 558985053 /nfs/dbraw/zinc/98/50/53/558985053.db2.gz VRMNIGKESLFBCA-OAHLLOKOSA-N 1 2 413.572 3.358 50 0 HGAALO C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022025274 558985054 /nfs/dbraw/zinc/98/50/54/558985054.db2.gz VRMNIGKESLFBCA-OAHLLOKOSA-N 1 2 413.572 3.358 50 0 HGAALO CCOc1cc(C(=O)N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)ccc1OC ZINC000022130606 558994789 /nfs/dbraw/zinc/99/47/89/558994789.db2.gz KWQRWNMSJALCBG-UHFFFAOYSA-N 1 2 414.502 3.069 50 0 HGAALO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000023106491 559010140 /nfs/dbraw/zinc/01/01/40/559010140.db2.gz PHDYJJGDHWCVAD-NRFANRHFSA-N 1 2 404.466 3.372 50 0 HGAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(Cl)cc1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000023156952 559022054 /nfs/dbraw/zinc/02/20/54/559022054.db2.gz NZUGJLXMEVJLHS-OAHLLOKOSA-N 1 2 420.922 3.387 50 0 HGAALO CC(C)C(=O)N1CCC[C@@H](C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C1 ZINC000023189159 559032179 /nfs/dbraw/zinc/03/21/79/559032179.db2.gz MREKQBNUWHBZKB-AEFFLSMTSA-N 1 2 402.926 3.174 50 0 HGAALO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000095507282 559083300 /nfs/dbraw/zinc/08/33/00/559083300.db2.gz DYALEYXOSUNWJH-SFHVURJKSA-N 1 2 402.498 3.288 50 0 HGAALO O=C1C[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100037033 559129103 /nfs/dbraw/zinc/12/91/03/559129103.db2.gz GUNCKHOONUGCTA-HXRGIAOBSA-N 1 2 409.917 3.303 50 0 HGAALO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011720067 559255171 /nfs/dbraw/zinc/25/51/71/559255171.db2.gz PWOJIMISVLUGQM-INIZCTEOSA-N 1 2 421.588 3.135 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]12 ZINC000101388594 560793964 /nfs/dbraw/zinc/79/39/64/560793964.db2.gz BEYFEKWVVRAIPI-MANSERQUSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]12 ZINC000101388594 560793966 /nfs/dbraw/zinc/79/39/66/560793966.db2.gz BEYFEKWVVRAIPI-MANSERQUSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000106536422 560892250 /nfs/dbraw/zinc/89/22/50/560892250.db2.gz YJWRXRFXIWIHSC-BRSBDYLESA-N 1 2 413.260 3.475 50 0 HGAALO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000106536422 560892251 /nfs/dbraw/zinc/89/22/51/560892251.db2.gz YJWRXRFXIWIHSC-BRSBDYLESA-N 1 2 413.260 3.475 50 0 HGAALO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907405 568415812 /nfs/dbraw/zinc/41/58/12/568415812.db2.gz MLVPGILTRBBBJA-NRFANRHFSA-N 1 2 403.482 3.442 50 0 HGAALO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907405 568415814 /nfs/dbraw/zinc/41/58/14/568415814.db2.gz MLVPGILTRBBBJA-NRFANRHFSA-N 1 2 403.482 3.442 50 0 HGAALO C[C@H](NC(=O)C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907561 568416016 /nfs/dbraw/zinc/41/60/16/568416016.db2.gz PTKKRAHNDJQKSV-PGRDOPGGSA-N 1 2 417.509 3.373 50 0 HGAALO C[C@H](NC(=O)C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907561 568416017 /nfs/dbraw/zinc/41/60/17/568416017.db2.gz PTKKRAHNDJQKSV-PGRDOPGGSA-N 1 2 417.509 3.373 50 0 HGAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(OCc2ccncc2)c1 ZINC000048209221 568432444 /nfs/dbraw/zinc/43/24/44/568432444.db2.gz VGEDOGJGEXZFCF-UHFFFAOYSA-N 1 2 419.485 3.214 50 0 HGAALO CCOc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc12 ZINC000048289403 568434911 /nfs/dbraw/zinc/43/49/11/568434911.db2.gz RJJLBVWMYCQSDB-IAGOWNOFSA-N 1 2 406.548 3.016 50 0 HGAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000048355103 568441377 /nfs/dbraw/zinc/44/13/77/568441377.db2.gz ASXVEHWJAYDBCT-QGZVFWFLSA-N 1 2 415.559 3.036 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)[C@H](NC(=O)C3CCCCC3)C(C)C)CC2)cc1 ZINC000024957815 568498926 /nfs/dbraw/zinc/49/89/26/568498926.db2.gz OZELCQAIHDEVPA-JOCHJYFZSA-N 1 2 415.578 3.061 50 0 HGAALO CC(C)(C)c1[nH]c2ccc(NS(=O)(=O)c3ccccc3Cn3cncn3)cc2[nH+]1 ZINC000095466420 568624413 /nfs/dbraw/zinc/62/44/13/568624413.db2.gz VPCXDOWPMKWSFQ-UHFFFAOYSA-N 1 2 410.503 3.301 50 0 HGAALO Cc1cc(=O)c(OCC(=O)Nc2ccc3[nH]c(CCc4ccccc4)[nH+]c3c2)cn1C ZINC000095472073 568627298 /nfs/dbraw/zinc/62/72/98/568627298.db2.gz HLJHWRLZFMFRQL-UHFFFAOYSA-N 1 2 416.481 3.373 50 0 HGAALO Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)[nH+]c(CCc2ccccc2)n3C)c[nH]1 ZINC000095476900 568630701 /nfs/dbraw/zinc/63/07/01/568630701.db2.gz OQBJYYLMQZPMNC-UHFFFAOYSA-N 1 2 416.481 3.373 50 0 HGAALO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000095479269 568632571 /nfs/dbraw/zinc/63/25/71/568632571.db2.gz WMOIQCNSCDIPLB-UHFFFAOYSA-N 1 2 423.948 3.363 50 0 HGAALO CC(C)(C)O[C@H]1CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)C1 ZINC000225424097 568636899 /nfs/dbraw/zinc/63/68/99/568636899.db2.gz BZGFRGYKEPSIBR-BBRMVZONSA-N 1 2 413.440 3.182 50 0 HGAALO CC(C)(C)O[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)C1 ZINC000225424097 568636902 /nfs/dbraw/zinc/63/69/02/568636902.db2.gz BZGFRGYKEPSIBR-BBRMVZONSA-N 1 2 413.440 3.182 50 0 HGAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2[nH]c1=S ZINC000020645355 568639093 /nfs/dbraw/zinc/63/90/93/568639093.db2.gz QTEVQTLGDJPJJS-QAPCUYQASA-N 1 2 416.591 3.336 50 0 HGAALO CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC(=O)Nc1ccccc1 ZINC000020932363 568651775 /nfs/dbraw/zinc/65/17/75/568651775.db2.gz XKSAFHHSTKCKNP-LJQANCHMSA-N 1 2 412.486 3.195 50 0 HGAALO CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000020932363 568651776 /nfs/dbraw/zinc/65/17/76/568651776.db2.gz XKSAFHHSTKCKNP-LJQANCHMSA-N 1 2 412.486 3.195 50 0 HGAALO COc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)OC(C)(C)C)c(OC)c1OC ZINC000229431763 568714001 /nfs/dbraw/zinc/71/40/01/568714001.db2.gz KNULHXRVYDYISX-GJZGRUSLSA-N 1 2 423.506 3.064 50 0 HGAALO COc1ccc(C(=O)OC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)OC(C)(C)C)c(OC)c1OC ZINC000229431763 568714003 /nfs/dbraw/zinc/71/40/03/568714003.db2.gz KNULHXRVYDYISX-GJZGRUSLSA-N 1 2 423.506 3.064 50 0 HGAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000000904726 568749818 /nfs/dbraw/zinc/74/98/18/568749818.db2.gz DGZYHTNXAXJNSH-UHFFFAOYSA-N 1 2 419.466 3.318 50 0 HGAALO Cc1cc(=O)c(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)nn1-c1ccccc1F ZINC000025174326 568758383 /nfs/dbraw/zinc/75/83/83/568758383.db2.gz MXGMMJRHXLTDBY-UHFFFAOYSA-N 1 2 403.417 3.177 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)c(F)c1)N1CC[NH+](CC)CC1)S2 ZINC000022578150 568770047 /nfs/dbraw/zinc/77/00/47/568770047.db2.gz MLTNTIGSUWUKQK-MRXNPFEDSA-N 1 2 407.490 3.064 50 0 HGAALO COc1ccccc1N1CC[NH+]([C@@H](CNC(=O)c2cccs2)c2cccnc2)CC1 ZINC000056896212 568820939 /nfs/dbraw/zinc/82/09/39/568820939.db2.gz NSLFKEVJDQMADO-FQEVSTJZSA-N 1 2 422.554 3.445 50 0 HGAALO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000056946292 568821994 /nfs/dbraw/zinc/82/19/94/568821994.db2.gz XNZDXSIBMWMRSY-NRFANRHFSA-N 1 2 411.527 3.121 50 0 HGAALO O=C(COc1ccc2ccccc2c1)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000056965949 568822482 /nfs/dbraw/zinc/82/24/82/568822482.db2.gz XUBUDLLSFMFNED-UHFFFAOYSA-N 1 2 407.489 3.296 50 0 HGAALO CCOc1cc(/C=C\C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1OC ZINC000057054141 568823771 /nfs/dbraw/zinc/82/37/71/568823771.db2.gz WGFJHENSHGNUDY-LUAWRHEFSA-N 1 2 409.530 3.493 50 0 HGAALO COC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415042 568833682 /nfs/dbraw/zinc/83/36/82/568833682.db2.gz PIDZIGOBUZKJSV-HXUWFJFHSA-N 1 2 411.889 3.179 50 0 HGAALO COC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415042 568833683 /nfs/dbraw/zinc/83/36/83/568833683.db2.gz PIDZIGOBUZKJSV-HXUWFJFHSA-N 1 2 411.889 3.179 50 0 HGAALO COC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415042 568833684 /nfs/dbraw/zinc/83/36/84/568833684.db2.gz PIDZIGOBUZKJSV-HXUWFJFHSA-N 1 2 411.889 3.179 50 0 HGAALO COC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415042 568833685 /nfs/dbraw/zinc/83/36/85/568833685.db2.gz PIDZIGOBUZKJSV-HXUWFJFHSA-N 1 2 411.889 3.179 50 0 HGAALO CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000057478269 568839774 /nfs/dbraw/zinc/83/97/74/568839774.db2.gz QXOHWUKATHIKLG-OAQYLSRUSA-N 1 2 409.461 3.055 50 0 HGAALO CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000057478269 568839776 /nfs/dbraw/zinc/83/97/76/568839776.db2.gz QXOHWUKATHIKLG-OAQYLSRUSA-N 1 2 409.461 3.055 50 0 HGAALO CCOC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000057478269 568839778 /nfs/dbraw/zinc/83/97/78/568839778.db2.gz QXOHWUKATHIKLG-OAQYLSRUSA-N 1 2 409.461 3.055 50 0 HGAALO CCOC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000057478269 568839779 /nfs/dbraw/zinc/83/97/79/568839779.db2.gz QXOHWUKATHIKLG-OAQYLSRUSA-N 1 2 409.461 3.055 50 0 HGAALO C[C@H](NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012535092 568845108 /nfs/dbraw/zinc/84/51/08/568845108.db2.gz BQFCFTZINNWRMY-RXVVDRJESA-N 1 2 402.498 3.141 50 0 HGAALO CN(CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)S(=O)(=O)c1cccs1 ZINC000012547667 568851093 /nfs/dbraw/zinc/85/10/93/568851093.db2.gz GZPYZEFJNJDBQF-UHFFFAOYSA-N 1 2 418.544 3.083 50 0 HGAALO COc1ccc([C@H](NC(=O)c2cccc(Nc3ncccn3)c2)c2[nH+]ccn2C)cc1 ZINC000012552524 568854390 /nfs/dbraw/zinc/85/43/90/568854390.db2.gz YKMZFNKBLMTEBU-FQEVSTJZSA-N 1 2 414.469 3.482 50 0 HGAALO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057752745 568859814 /nfs/dbraw/zinc/85/98/14/568859814.db2.gz SJZGEQUEGNTFMX-OAHLLOKOSA-N 1 2 409.456 3.205 50 0 HGAALO O=C(C[NH+]1CCC(c2nc3ccccc3o2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000012814406 568989168 /nfs/dbraw/zinc/98/91/68/568989168.db2.gz RVQMMNSWABVFHH-UHFFFAOYSA-N 1 2 406.486 3.454 50 0 HGAALO COC(=O)c1sc(NC(=O)C[N@H+](C)[C@@H](C)c2cccs2)c(C(=O)OC)c1C ZINC000012818553 568990324 /nfs/dbraw/zinc/99/03/24/568990324.db2.gz YUFDNUMGAFTMKM-NSHDSACASA-N 1 2 410.517 3.323 50 0 HGAALO COC(=O)c1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccs2)c(C(=O)OC)c1C ZINC000012818553 568990325 /nfs/dbraw/zinc/99/03/25/568990325.db2.gz YUFDNUMGAFTMKM-NSHDSACASA-N 1 2 410.517 3.323 50 0 HGAALO CCOc1ccc(CN2CC[N@H+](Cc3c(OC)cccc3OC)C[C@H]2CCO)cc1 ZINC000104298013 569008216 /nfs/dbraw/zinc/00/82/16/569008216.db2.gz AKEAVYIGOLWGPU-HXUWFJFHSA-N 1 2 414.546 3.171 50 0 HGAALO CCOc1ccc(CN2CC[N@@H+](Cc3c(OC)cccc3OC)C[C@H]2CCO)cc1 ZINC000104298013 569008217 /nfs/dbraw/zinc/00/82/17/569008217.db2.gz AKEAVYIGOLWGPU-HXUWFJFHSA-N 1 2 414.546 3.171 50 0 HGAALO COc1ccc(CN2CC[N@H+](Cc3cccn3-c3ccccn3)C[C@H]2CCO)cc1C ZINC000104321923 569008279 /nfs/dbraw/zinc/00/82/79/569008279.db2.gz VVZKSRRSLYHQRU-JOCHJYFZSA-N 1 2 420.557 3.258 50 0 HGAALO COc1ccc(CN2CC[N@@H+](Cc3cccn3-c3ccccn3)C[C@H]2CCO)cc1C ZINC000104321923 569008280 /nfs/dbraw/zinc/00/82/80/569008280.db2.gz VVZKSRRSLYHQRU-JOCHJYFZSA-N 1 2 420.557 3.258 50 0 HGAALO CCOc1ccccc1CN1CC[N@H+](Cc2c(OC)cccc2OC)C[C@H]1CCO ZINC000104366268 569008453 /nfs/dbraw/zinc/00/84/53/569008453.db2.gz GNUOLBHRWKSCMV-HXUWFJFHSA-N 1 2 414.546 3.171 50 0 HGAALO CCOc1ccccc1CN1CC[N@@H+](Cc2c(OC)cccc2OC)C[C@H]1CCO ZINC000104366268 569008454 /nfs/dbraw/zinc/00/84/54/569008454.db2.gz GNUOLBHRWKSCMV-HXUWFJFHSA-N 1 2 414.546 3.171 50 0 HGAALO C[NH+]1CCC(N2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@H]2CCO)CC1 ZINC000104533131 569008973 /nfs/dbraw/zinc/00/89/73/569008973.db2.gz ITIBVDKDQXCLAP-RUZDIDTESA-N 1 2 423.601 3.228 50 0 HGAALO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc2cccc(F)c2)c(C)c1 ZINC000012870916 569013247 /nfs/dbraw/zinc/01/32/47/569013247.db2.gz AVKXRFMSOHZIPE-HNNXBMFYSA-N 1 2 400.454 3.050 50 0 HGAALO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc2cccc(F)c2)c(C)c1 ZINC000012870916 569013248 /nfs/dbraw/zinc/01/32/48/569013248.db2.gz AVKXRFMSOHZIPE-HNNXBMFYSA-N 1 2 400.454 3.050 50 0 HGAALO CCOC(=O)C1C(C[N@H+](C)Cc2ccsc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000012914884 569022185 /nfs/dbraw/zinc/02/21/85/569022185.db2.gz VNAHQAOYRVMDHO-IBGZPJMESA-N 1 2 415.515 3.060 50 0 HGAALO CCOC(=O)C1C(C[N@@H+](C)Cc2ccsc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000012914884 569022186 /nfs/dbraw/zinc/02/21/86/569022186.db2.gz VNAHQAOYRVMDHO-IBGZPJMESA-N 1 2 415.515 3.060 50 0 HGAALO CCOC(=O)C1=C(C[N@H+](C)Cc2ccsc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000012914884 569022187 /nfs/dbraw/zinc/02/21/87/569022187.db2.gz VNAHQAOYRVMDHO-IBGZPJMESA-N 1 2 415.515 3.060 50 0 HGAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccsc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000012914884 569022188 /nfs/dbraw/zinc/02/21/88/569022188.db2.gz VNAHQAOYRVMDHO-IBGZPJMESA-N 1 2 415.515 3.060 50 0 HGAALO CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C(=O)N2 ZINC000035430696 569036726 /nfs/dbraw/zinc/03/67/26/569036726.db2.gz UOPPFWGUQPQWBB-UHFFFAOYSA-N 1 2 418.541 3.216 50 0 biogenic HGAALO Cc1cc(C)cc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c1 ZINC000035430798 569036785 /nfs/dbraw/zinc/03/67/85/569036785.db2.gz BUBAEWNSWSBXPS-UHFFFAOYSA-N 1 2 418.541 3.270 50 0 biogenic HGAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000229495494 569040509 /nfs/dbraw/zinc/04/05/09/569040509.db2.gz DUUUXLBPBDAPAZ-RTBURBONSA-N 1 2 404.518 3.486 50 0 HGAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000229495494 569040510 /nfs/dbraw/zinc/04/05/10/569040510.db2.gz DUUUXLBPBDAPAZ-RTBURBONSA-N 1 2 404.518 3.486 50 0 HGAALO O=C(/C=C/c1ccccc1OC(F)F)NCc1ccccc1C[NH+]1CCOCC1 ZINC000029931860 569047890 /nfs/dbraw/zinc/04/78/90/569047890.db2.gz DIRBYLCBBGIYBE-MDZDMXLPSA-N 1 2 402.441 3.450 50 0 HGAALO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000012997273 569048199 /nfs/dbraw/zinc/04/81/99/569048199.db2.gz RMGIYEGRMKSCSF-KRWDZBQOSA-N 1 2 424.485 3.001 50 0 HGAALO CSCC[C@@H]1NC(=O)N(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)C1=O ZINC000239338782 569054208 /nfs/dbraw/zinc/05/42/08/569054208.db2.gz LFHAOFCCCYHKFQ-BBRMVZONSA-N 1 2 407.586 3.388 50 0 HGAALO CSCC[C@@H]1NC(=O)N(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)C1=O ZINC000239338782 569054209 /nfs/dbraw/zinc/05/42/09/569054209.db2.gz LFHAOFCCCYHKFQ-BBRMVZONSA-N 1 2 407.586 3.388 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000245324905 569055814 /nfs/dbraw/zinc/05/58/14/569055814.db2.gz CEAHITVAIUOWIK-WCIQWLHISA-N 1 2 408.885 3.484 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000245324905 569055815 /nfs/dbraw/zinc/05/58/15/569055815.db2.gz CEAHITVAIUOWIK-WCIQWLHISA-N 1 2 408.885 3.484 50 0 HGAALO Nc1n[nH]c(Sc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)n1 ZINC000006502942 569061681 /nfs/dbraw/zinc/06/16/81/569061681.db2.gz BNANQCFWGXJCRK-UHFFFAOYSA-N 1 2 401.565 3.408 50 0 HGAALO CCN(Cc1[nH+]ccn1Cc1cccc(OC)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000035979995 569071803 /nfs/dbraw/zinc/07/18/03/569071803.db2.gz YBPPMTKMSXRSFO-UHFFFAOYSA-N 1 2 415.515 3.159 50 0 HGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CCCC[C@H]3CCO)csc2C1 ZINC000426563470 569073470 /nfs/dbraw/zinc/07/34/70/569073470.db2.gz WHLHMRKCSMIDDR-INIZCTEOSA-N 1 2 403.548 3.288 50 0 HGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CCCC[C@H]3CCO)csc2C1 ZINC000426563470 569073471 /nfs/dbraw/zinc/07/34/71/569073471.db2.gz WHLHMRKCSMIDDR-INIZCTEOSA-N 1 2 403.548 3.288 50 0 HGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCC3(CO)CCCC3)csc2C1 ZINC000426632838 569073674 /nfs/dbraw/zinc/07/36/74/569073674.db2.gz DMJNSLMSQQANQY-UHFFFAOYSA-N 1 2 403.548 3.194 50 0 HGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC3(CO)CCCC3)csc2C1 ZINC000426632838 569073675 /nfs/dbraw/zinc/07/36/75/569073675.db2.gz DMJNSLMSQQANQY-UHFFFAOYSA-N 1 2 403.548 3.194 50 0 HGAALO CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCn3cc[nH+]c3)c(Cl)cc12 ZINC000006658765 569083529 /nfs/dbraw/zinc/08/35/29/569083529.db2.gz DUJGYOQWDMWGCL-ZDUSSCGKSA-N 1 2 403.866 3.179 50 0 HGAALO C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCn1cc[nH+]c1 ZINC000006660028 569084130 /nfs/dbraw/zinc/08/41/30/569084130.db2.gz TZWDQBJQUINVNF-CYBMUJFWSA-N 1 2 415.877 3.105 50 0 HGAALO CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)NCCCn3cc[nH+]c3)C2=O)cc1 ZINC000006661108 569085212 /nfs/dbraw/zinc/08/52/12/569085212.db2.gz JBWCHOKGWIJYPQ-PDGQHHTCSA-N 1 2 412.515 3.249 50 0 HGAALO CC(C)c1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccc2c(c1)OCCO2)OCCO3 ZINC000064795234 569096147 /nfs/dbraw/zinc/09/61/47/569096147.db2.gz DLZHQGKTXPXNDS-UHFFFAOYSA-N 1 2 409.442 3.341 50 0 HGAALO Cc1cccc(CNC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccco3)CC2)c1 ZINC000036255210 569120198 /nfs/dbraw/zinc/12/01/98/569120198.db2.gz WIXZRACULJDSQX-JOCHJYFZSA-N 1 2 409.530 3.221 50 0 HGAALO COc1cccc(CNC(=O)C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000065237134 569202668 /nfs/dbraw/zinc/20/26/68/569202668.db2.gz LXYBRFINKRUEJY-UHFFFAOYSA-N 1 2 409.534 3.008 50 0 HGAALO COc1cccc(CNC(=O)C2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000065237134 569202670 /nfs/dbraw/zinc/20/26/70/569202670.db2.gz LXYBRFINKRUEJY-UHFFFAOYSA-N 1 2 409.534 3.008 50 0 HGAALO C[C@H]1CCCCN1c1cc(-n2cnc(C(=O)Nc3ccc4c(c3)OCCO4)c2)nc[nH+]1 ZINC000065239906 569203627 /nfs/dbraw/zinc/20/36/27/569203627.db2.gz FYWNIWLZIXKMAJ-HNNXBMFYSA-N 1 2 420.473 3.065 50 0 HGAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N3CCC(COC)CC3)C2)nc[nH+]1 ZINC000065242422 569204628 /nfs/dbraw/zinc/20/46/28/569204628.db2.gz TWRLKTDNVGSFAZ-GOSISDBHSA-N 1 2 403.571 3.180 50 0 HGAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N3CCC(COC)CC3)C2)[nH+]cn1 ZINC000065242422 569204629 /nfs/dbraw/zinc/20/46/29/569204629.db2.gz TWRLKTDNVGSFAZ-GOSISDBHSA-N 1 2 403.571 3.180 50 0 HGAALO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)Nc1ccc2c(c1)OCCO2 ZINC000065245161 569204983 /nfs/dbraw/zinc/20/49/83/569204983.db2.gz YKQCLFCXSDAUTE-MRXNPFEDSA-N 1 2 423.517 3.457 50 0 HGAALO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000065245161 569204984 /nfs/dbraw/zinc/20/49/84/569204984.db2.gz YKQCLFCXSDAUTE-MRXNPFEDSA-N 1 2 423.517 3.457 50 0 HGAALO CCc1ccc(-c2nc(-c3ccc4c(c3)nnn4CC[NH+]3CCOCC3)no2)cc1 ZINC000065255037 569207683 /nfs/dbraw/zinc/20/76/83/569207683.db2.gz RYVDOMMQIZZZJB-UHFFFAOYSA-N 1 2 404.474 3.043 50 0 HGAALO COC(=O)C[C@H](c1ccco1)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524731862 569212485 /nfs/dbraw/zinc/21/24/85/569212485.db2.gz MVEBLBOJZXTKFF-GOSISDBHSA-N 1 2 409.438 3.192 50 0 biogenic HGAALO COC(=O)C[C@H](c1ccco1)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524731862 569212486 /nfs/dbraw/zinc/21/24/86/569212486.db2.gz MVEBLBOJZXTKFF-GOSISDBHSA-N 1 2 409.438 3.192 50 0 biogenic HGAALO COCCN=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1ccc(Cl)s1)C2 ZINC000065265791 569212940 /nfs/dbraw/zinc/21/29/40/569212940.db2.gz ARYDUHITVQXKHT-HXUWFJFHSA-N 1 2 418.950 3.056 50 0 HGAALO Cc1ccc(C(=O)N2CC[C@]3(C2)[NH2+]Cc2ccccc2NC3=NC2CCCC2)cn1 ZINC000065265893 569213042 /nfs/dbraw/zinc/21/30/42/569213042.db2.gz MXPMZVUIWTVGHW-XMMPIXPASA-N 1 2 403.530 3.340 50 0 HGAALO O=S(=O)(NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000036700356 569222788 /nfs/dbraw/zinc/22/27/88/569222788.db2.gz BEFPHUNPSZOGNT-HXUWFJFHSA-N 1 2 408.951 3.472 50 0 HGAALO O=S(=O)(NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000036700356 569222789 /nfs/dbraw/zinc/22/27/89/569222789.db2.gz BEFPHUNPSZOGNT-HXUWFJFHSA-N 1 2 408.951 3.472 50 0 HGAALO COc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)c(C)c1 ZINC000036700433 569222854 /nfs/dbraw/zinc/22/28/54/569222854.db2.gz JFELLGBWZUCCKF-NRFANRHFSA-N 1 2 418.559 3.136 50 0 HGAALO COc1ccc(S(=O)(=O)NCCCC[N@H+]2CCO[C@H](c3ccccc3)C2)c(C)c1 ZINC000036700433 569222855 /nfs/dbraw/zinc/22/28/55/569222855.db2.gz JFELLGBWZUCCKF-NRFANRHFSA-N 1 2 418.559 3.136 50 0 HGAALO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC000036700327 569222895 /nfs/dbraw/zinc/22/28/95/569222895.db2.gz ZSJOAQLDAILFGN-HXUWFJFHSA-N 1 2 424.950 3.091 50 0 HGAALO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC000036700327 569222896 /nfs/dbraw/zinc/22/28/96/569222896.db2.gz ZSJOAQLDAILFGN-HXUWFJFHSA-N 1 2 424.950 3.091 50 0 HGAALO O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000071186300 569251174 /nfs/dbraw/zinc/25/11/74/569251174.db2.gz TZHITJZGAUBYTO-UHFFFAOYSA-N 1 2 419.572 3.249 50 0 HGAALO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009909555 569251619 /nfs/dbraw/zinc/25/16/19/569251619.db2.gz PJAHFQPLIYZDIF-KRWDZBQOSA-N 1 2 424.526 3.148 50 0 HGAALO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000014239909 569259145 /nfs/dbraw/zinc/25/91/45/569259145.db2.gz BZUXKKULAOCEOO-UHFFFAOYSA-N 1 2 415.378 3.326 50 0 HGAALO O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014564443 569260438 /nfs/dbraw/zinc/26/04/38/569260438.db2.gz OWEVXQZPVMQUON-UHFFFAOYSA-N 1 2 424.831 3.246 50 0 HGAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000170638099 569280002 /nfs/dbraw/zinc/28/00/02/569280002.db2.gz ZLZIEWZYYUUMNY-SFHVURJKSA-N 1 2 408.502 3.439 50 0 HGAALO CCOc1ccc(NC(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1OCC ZINC000002217498 569311654 /nfs/dbraw/zinc/31/16/54/569311654.db2.gz QQWRILCWLLNVMQ-UHFFFAOYSA-N 1 2 414.502 3.498 50 0 biogenic HGAALO CCOc1ccc(NC(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1OCC ZINC000002217498 569311656 /nfs/dbraw/zinc/31/16/56/569311656.db2.gz QQWRILCWLLNVMQ-UHFFFAOYSA-N 1 2 414.502 3.498 50 0 biogenic HGAALO COc1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000253425506 569368210 /nfs/dbraw/zinc/36/82/10/569368210.db2.gz UKRHLCUNDWTCIN-INIZCTEOSA-N 1 2 415.494 3.255 50 0 HGAALO O=C(NCc1ccc[nH+]c1N1CCCC1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000253472826 569381367 /nfs/dbraw/zinc/38/13/67/569381367.db2.gz PSAPBCIRUCATRP-UHFFFAOYSA-N 1 2 416.909 3.218 50 0 HGAALO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(COc3ccc(C)cc3C)o1)C2 ZINC000328591714 569415139 /nfs/dbraw/zinc/41/51/39/569415139.db2.gz YGPCJZZZYXURBC-SFHVURJKSA-N 1 2 423.513 3.260 50 0 HGAALO Cc1cc2[nH+]cn(C[C@H](NC(=O)CCS(=O)(=O)C3CCCC3)C3CC3)c2cc1C ZINC000079045642 569425230 /nfs/dbraw/zinc/42/52/30/569425230.db2.gz SLVRODPLSNIXCJ-FQEVSTJZSA-N 1 2 417.575 3.295 50 0 HGAALO Cc1sc2ncn(CCC(=O)NCc3ccccc3Cn3cc[nH+]c3)c(=O)c2c1C ZINC000040040087 571142209 /nfs/dbraw/zinc/14/22/09/571142209.db2.gz NXJNGIZXRLGJHH-UHFFFAOYSA-N 1 2 421.526 3.026 50 0 HGAALO Cc1cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)[nH+]1 ZINC000040103837 571164446 /nfs/dbraw/zinc/16/44/46/571164446.db2.gz RAFTVVMQEWNKJU-UHFFFAOYSA-N 1 2 411.506 3.424 50 0 HGAALO O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000040106612 571167208 /nfs/dbraw/zinc/16/72/08/571167208.db2.gz QBXJYIXWDBGCIM-UHFFFAOYSA-N 1 2 422.445 3.296 50 0 HGAALO CCc1nnc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)C3CCOCC3)CC2)o1 ZINC000069948387 571250814 /nfs/dbraw/zinc/25/08/14/571250814.db2.gz YDMVVLACXWQPMM-LJQANCHMSA-N 1 2 404.555 3.042 50 0 HGAALO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1ccccc1N1CCCCC1 ZINC000070009091 571253819 /nfs/dbraw/zinc/25/38/19/571253819.db2.gz OYTIPUPGAVMOPZ-NRFANRHFSA-N 1 2 404.580 3.006 50 0 HGAALO O=C(c1ccccc1)N1CCCCC[C@H]1C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000070011902 571253849 /nfs/dbraw/zinc/25/38/49/571253849.db2.gz QTHRAPDHBCMOCC-NRFANRHFSA-N 1 2 408.550 3.305 50 0 HGAALO O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)NCCCn1cc[nH+]c1 ZINC000009421194 571257113 /nfs/dbraw/zinc/25/71/13/571257113.db2.gz QJISLCZLJNRQOK-UHFFFAOYSA-N 1 2 403.438 3.242 50 0 biogenic HGAALO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009635268 571275114 /nfs/dbraw/zinc/27/51/14/571275114.db2.gz DKXRTLJXXGBTIC-QGZVFWFLSA-N 1 2 424.526 3.148 50 0 HGAALO Cc1ccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCC2)cc1C ZINC000033312758 571316247 /nfs/dbraw/zinc/31/62/47/571316247.db2.gz UGEXKVXSMPXAGA-DEOSSOPVSA-N 1 2 405.542 3.141 50 0 HGAALO Cc1ccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCC2)cc1C ZINC000033312758 571316248 /nfs/dbraw/zinc/31/62/48/571316248.db2.gz UGEXKVXSMPXAGA-DEOSSOPVSA-N 1 2 405.542 3.141 50 0 HGAALO Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(c5cccc[nH+]5)CC4)sc3c2c1 ZINC000004193927 132273123 /nfs/dbraw/zinc/27/31/23/132273123.db2.gz HPDBIIJQOPBJGK-UHFFFAOYSA-N 1 2 404.495 3.409 50 0 HGAALO O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008131992 132327674 /nfs/dbraw/zinc/32/76/74/132327674.db2.gz LSKBUPRKUDAYMC-UHFFFAOYSA-N 1 2 413.481 3.271 50 0 HGAALO Nc1ncnc2sc3c(c21)CCN(c1[nH+]cnc2c1cnn2-c1ccc(F)cc1)C3 ZINC000008747364 132333133 /nfs/dbraw/zinc/33/31/33/132333133.db2.gz AXZBOTCNAKHYSS-UHFFFAOYSA-N 1 2 418.461 3.104 50 0 HGAALO Cc1coc2cc3oc(=O)c(CC(=O)N4CCN(c5cccc[nH+]5)CC4)c(C)c3cc12 ZINC000008992020 132334492 /nfs/dbraw/zinc/33/44/92/132334492.db2.gz LXAQBNJHHPFUKA-UHFFFAOYSA-N 1 2 417.465 3.442 50 0 HGAALO COc1ccc(CC(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)cc1OC ZINC000009486472 132340433 /nfs/dbraw/zinc/34/04/33/132340433.db2.gz LTQGVJKAAYISRL-UHFFFAOYSA-N 1 2 405.498 3.452 50 0 HGAALO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000012563154 132364151 /nfs/dbraw/zinc/36/41/51/132364151.db2.gz SAOZPVPRQGDMSV-FQEVSTJZSA-N 1 2 422.573 3.165 50 0 HGAALO Cc1cc(N2CCN([C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000012746627 132366515 /nfs/dbraw/zinc/36/65/15/132366515.db2.gz QQXKWTJGMZDCJK-MSOLQXFVSA-N 1 2 413.541 3.435 50 0 HGAALO Cc1nc2sc3c(c2c(N2CC[NH+]([C@H](C(N)=O)c4ccccc4)CC2)n1)CCCC3 ZINC000012819115 132367610 /nfs/dbraw/zinc/36/76/10/132367610.db2.gz PZSFOHOHWQBKQC-FQEVSTJZSA-N 1 2 421.570 3.227 50 0 HGAALO Cc1cc(N2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000012815928 132367628 /nfs/dbraw/zinc/36/76/28/132367628.db2.gz FXGUXPZFLFBOKV-UHFFFAOYSA-N 1 2 401.942 3.000 50 0 HGAALO CN(C)c1nc(N2CCCCC2)[nH+]c2c1CN(C(=O)c1ccc(F)cc1F)CC2 ZINC000034678689 132794713 /nfs/dbraw/zinc/79/47/13/132794713.db2.gz IJQVSDVSWMJQAL-UHFFFAOYSA-N 1 2 401.461 3.010 50 0 HGAALO CC(C)c1ccc(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3F)CC2)cc1 ZINC000032772174 519834765 /nfs/dbraw/zinc/83/47/65/519834765.db2.gz QVUOYICDZCANMG-FQEVSTJZSA-N 1 2 400.494 3.147 50 0 HGAALO CCOC(=O)CCCCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000045264225 520625308 /nfs/dbraw/zinc/62/53/08/520625308.db2.gz XRHBNICSMKTFKF-IBGZPJMESA-N 1 2 404.486 3.461 50 0 HGAALO COc1ccc(-c2nc3c(c(SCC[NH+]4CCOCC4)n2)COC(C)(C)C3)cc1 ZINC000020547810 523226579 /nfs/dbraw/zinc/22/65/79/523226579.db2.gz KLJSXRDTMOSHJE-UHFFFAOYSA-N 1 2 415.559 3.428 50 0 HGAALO Cc1ccc(C)c(CNC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)c1 ZINC000033312761 524104243 /nfs/dbraw/zinc/10/42/43/524104243.db2.gz QUUSEXRLXNRFRG-XMMPIXPASA-N 1 2 405.542 3.141 50 0 HGAALO Cc1ccc(C)c(CNC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)c1 ZINC000033312761 524104250 /nfs/dbraw/zinc/10/42/50/524104250.db2.gz QUUSEXRLXNRFRG-XMMPIXPASA-N 1 2 405.542 3.141 50 0 HGAALO COc1cccc([C@H](NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c2[nH+]ccn2C)c1 ZINC000032802458 524162506 /nfs/dbraw/zinc/16/25/06/524162506.db2.gz MPVWYRUQWSFXAW-VLIAUNLRSA-N 1 2 408.458 3.307 50 0 HGAALO COc1ccccc1[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1[nH+]ccn1C ZINC000032905115 524795261 /nfs/dbraw/zinc/79/52/61/524795261.db2.gz LYEYNHSCAQLIST-QUCCMNQESA-N 1 2 422.510 3.137 50 0 HGAALO Cc1c(Cl)cccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019808884 525765012 /nfs/dbraw/zinc/76/50/12/525765012.db2.gz AWMVBDNTEQNTEQ-UHFFFAOYSA-N 1 2 401.894 3.133 50 0 HGAALO O=C(CCCc1ncc(-c2ccccc2)o1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000032638180 526466732 /nfs/dbraw/zinc/46/67/32/526466732.db2.gz ISOHYMLMQPFJIF-UHFFFAOYSA-N 1 2 406.486 3.212 50 0 HGAALO Cc1noc(C)c1COc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000032876124 526523247 /nfs/dbraw/zinc/52/32/47/526523247.db2.gz LQVJPLVVXJRHKD-UHFFFAOYSA-N 1 2 403.442 3.381 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(F)c(Cl)c1 ZINC000022804961 526774967 /nfs/dbraw/zinc/77/49/67/526774967.db2.gz GSVPNNFFZLOTAF-UHFFFAOYSA-N 1 2 403.885 3.170 50 0 HGAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000032869218 526993069 /nfs/dbraw/zinc/99/30/69/526993069.db2.gz KVVCHDVTGJQNBB-JOCHJYFZSA-N 1 2 416.525 3.164 50 0 HGAALO O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2)N1CCC[NH+]1CCOCC1 ZINC000020308631 527138128 /nfs/dbraw/zinc/13/81/28/527138128.db2.gz YJDISXNDDMNZAR-NRFANRHFSA-N 1 2 422.456 3.200 50 0 HGAALO O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000032594168 527268513 /nfs/dbraw/zinc/26/85/13/527268513.db2.gz BKMDDDVAZCFHEZ-UHFFFAOYSA-N 1 2 407.539 3.298 50 0 HGAALO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1)CCCC2 ZINC000001061447 557164018 /nfs/dbraw/zinc/16/40/18/557164018.db2.gz NTMHOZMLZDOMDI-CQSZACIVSA-N 1 2 422.547 3.017 50 0 HGAALO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1)CCCC2 ZINC000001061447 557164020 /nfs/dbraw/zinc/16/40/20/557164020.db2.gz NTMHOZMLZDOMDI-CQSZACIVSA-N 1 2 422.547 3.017 50 0 HGAALO Cn1cccc1C[N@@H+]1CCc2nc(N3CCOCC3)nc(Oc3ccccc3)c2C1 ZINC000034755957 557458463 /nfs/dbraw/zinc/45/84/63/557458463.db2.gz AACCUDNNENJRSO-UHFFFAOYSA-N 1 2 405.502 3.002 50 0 HGAALO Cn1cccc1C[N@H+]1CCc2nc(N3CCOCC3)nc(Oc3ccccc3)c2C1 ZINC000034755957 557458465 /nfs/dbraw/zinc/45/84/65/557458465.db2.gz AACCUDNNENJRSO-UHFFFAOYSA-N 1 2 405.502 3.002 50 0 HGAALO COCC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000034855484 557476922 /nfs/dbraw/zinc/47/69/22/557476922.db2.gz BANSKMBGGHLQES-CMJOXMDJSA-N 1 2 416.493 3.093 50 0 HGAALO COCC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000034855484 557476927 /nfs/dbraw/zinc/47/69/27/557476927.db2.gz BANSKMBGGHLQES-CMJOXMDJSA-N 1 2 416.493 3.093 50 0 HGAALO O=C(NC1=[NH+]CCS1)[C@@H](NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005043493 557629095 /nfs/dbraw/zinc/62/90/95/557629095.db2.gz FMRBFQUKWVQMDL-XCLLZBPDSA-N 1 2 403.592 3.487 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)OC)CC1)S2 ZINC000022853627 557840249 /nfs/dbraw/zinc/84/02/49/557840249.db2.gz UCUPWFOOLZWHNP-INIZCTEOSA-N 1 2 418.494 3.172 50 0 HGAALO CCOc1ccc([C@@H](C2Sc3nc(CC)nn3C2=O)[NH+]2CCC(O)CC2)cc1 ZINC000022855217 557842545 /nfs/dbraw/zinc/84/25/45/557842545.db2.gz IHSLNNHCEHAJLU-KRWDZBQOSA-N 1 2 402.520 3.004 50 0 HGAALO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907394 557852454 /nfs/dbraw/zinc/85/24/54/557852454.db2.gz BQAFHCXVYCIKKA-NRFANRHFSA-N 1 2 419.481 3.143 50 0 HGAALO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907394 557852457 /nfs/dbraw/zinc/85/24/57/557852457.db2.gz BQAFHCXVYCIKKA-NRFANRHFSA-N 1 2 419.481 3.143 50 0 HGAALO COc1ccc(CN2CC[N@H+](Cc3cccn3-c3cccnc3)C[C@@H]2CCO)cc1C ZINC000019744949 558265541 /nfs/dbraw/zinc/26/55/41/558265541.db2.gz SZXXILOMQZVZDN-QHCPKHFHSA-N 1 2 420.557 3.258 50 0 HGAALO COc1ccc(CN2CC[N@@H+](Cc3cccn3-c3cccnc3)C[C@@H]2CCO)cc1C ZINC000019744949 558265543 /nfs/dbraw/zinc/26/55/43/558265543.db2.gz SZXXILOMQZVZDN-QHCPKHFHSA-N 1 2 420.557 3.258 50 0 HGAALO O=C(CC[NH+]1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000019781999 558281368 /nfs/dbraw/zinc/28/13/68/558281368.db2.gz TZHLHFUAOYHAHR-UHFFFAOYSA-N 1 2 417.303 3.341 50 0 HGAALO O=C1C(Cl)=C(N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000019792816 558283271 /nfs/dbraw/zinc/28/32/71/558283271.db2.gz LNTIMVYPVRPGGZ-UHFFFAOYSA-N 1 2 416.308 3.481 50 0 HGAALO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2c[nH]c(C)n2)CC1)c1ccccc1 ZINC000011820180 558283352 /nfs/dbraw/zinc/28/33/52/558283352.db2.gz HKGOJVXISOQGND-OAQYLSRUSA-N 1 2 408.506 3.078 50 0 HGAALO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1c(F)cccc1Cl)CC2 ZINC000019838356 558293342 /nfs/dbraw/zinc/29/33/42/558293342.db2.gz FJGCMKLSCNLAOW-CYBMUJFWSA-N 1 2 417.872 3.213 50 0 HGAALO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1c(F)cccc1Cl)CC2 ZINC000019838356 558293344 /nfs/dbraw/zinc/29/33/44/558293344.db2.gz FJGCMKLSCNLAOW-CYBMUJFWSA-N 1 2 417.872 3.213 50 0 HGAALO COc1ccc(OC)c(NC(=O)CCN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000019853490 558296143 /nfs/dbraw/zinc/29/61/43/558296143.db2.gz BRKGKVASBNSRNV-RMKNXTFCSA-N 1 2 409.530 3.363 50 0 HGAALO COc1ccccc1[C@H]1CN(CC(=O)NCCCn2cc[nH+]c2)Cc2ccccc2O1 ZINC000011912235 558297140 /nfs/dbraw/zinc/29/71/40/558297140.db2.gz PVMLBUQMDUVXTN-HSZRJFAPSA-N 1 2 420.513 3.034 50 0 HGAALO Cc1cc(Cl)ccc1OCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019877521 558300294 /nfs/dbraw/zinc/30/02/94/558300294.db2.gz LZLOSXLJJRPWRZ-UHFFFAOYSA-N 1 2 402.878 3.100 50 0 HGAALO CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CC[NH+]1CCOCC1 ZINC000019902607 558305662 /nfs/dbraw/zinc/30/56/62/558305662.db2.gz BFOXAAYOUPZXAN-UHFFFAOYSA-N 1 2 418.515 3.261 50 0 HGAALO O=C(c1ccc(Br)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019913953 558307077 /nfs/dbraw/zinc/30/70/77/558307077.db2.gz AFDYLRLKLZXSPM-UHFFFAOYSA-N 1 2 403.276 3.136 50 0 HGAALO O=C(COc1ccc(Br)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019938177 558312754 /nfs/dbraw/zinc/31/27/54/558312754.db2.gz YHUDTIVTAMYXRA-UHFFFAOYSA-N 1 2 405.292 3.299 50 0 HGAALO COc1ccc(OC[C@H](O)Cn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])cc1 ZINC000020130514 558337264 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COc1ccc(-c2n[nH]cc2CN2CCc3[nH+]c[nH]c3[C@@H]2c2cccnc2)c(F)c1 ZINC000012445679 558413701 /nfs/dbraw/zinc/41/37/01/558413701.db2.gz DRBPNIHYNPCJSX-QFIPXVFZSA-N 1 2 404.449 3.490 50 0 HGAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3nc(-c4cccs4)oc3C)C2)CC1 ZINC000020877880 558419688 /nfs/dbraw/zinc/41/96/88/558419688.db2.gz QGGJOZXIBQOTJB-QGZVFWFLSA-N 1 2 418.563 3.450 50 0 HGAALO Cc1nnc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)s1 ZINC000004341761 558425436 /nfs/dbraw/zinc/42/54/36/558425436.db2.gz YKBTYFIBBHDYDD-UHFFFAOYSA-N 1 2 411.516 3.323 50 0 HGAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000004341787 558425673 /nfs/dbraw/zinc/42/56/73/558425673.db2.gz HEDXILNNLBCFKU-HOTGVXAUSA-N 1 2 411.531 3.160 50 0 HGAALO Cc1ccc(C(=O)[C@@H]([C@H](c2cccs2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000021670200 558445501 /nfs/dbraw/zinc/44/55/01/558445501.db2.gz BNKNETILKVSMCR-LEWJYISDSA-N 1 2 400.544 3.014 50 0 HGAALO Cc1ccc(C(=O)[C@H]([C@H](c2cccs2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000021670204 558445534 /nfs/dbraw/zinc/44/55/34/558445534.db2.gz BNKNETILKVSMCR-SFTDATJTSA-N 1 2 400.544 3.014 50 0 HGAALO C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012797118 558469808 /nfs/dbraw/zinc/46/98/08/558469808.db2.gz YEFPHUXFRPJYPS-ZDUSSCGKSA-N 1 2 403.429 3.348 50 0 HGAALO C[N@H+](CCc1ccccn1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000022287058 558476454 /nfs/dbraw/zinc/47/64/54/558476454.db2.gz CWYFCDJYCOFIJS-UHFFFAOYSA-N 1 2 400.482 3.009 50 0 HGAALO C[N@@H+](CCc1ccccn1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000022287058 558476456 /nfs/dbraw/zinc/47/64/56/558476456.db2.gz CWYFCDJYCOFIJS-UHFFFAOYSA-N 1 2 400.482 3.009 50 0 HGAALO CC(C)N(C(=O)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)c1ccccc1 ZINC000022406651 558487682 /nfs/dbraw/zinc/48/76/82/558487682.db2.gz NTLNKDDIMUPGNS-QHCPKHFHSA-N 1 2 405.542 3.477 50 0 HGAALO CC(C)N(C(=O)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)c1ccccc1 ZINC000022406651 558487686 /nfs/dbraw/zinc/48/76/86/558487686.db2.gz NTLNKDDIMUPGNS-QHCPKHFHSA-N 1 2 405.542 3.477 50 0 HGAALO C[C@@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000012972932 558489828 /nfs/dbraw/zinc/48/98/28/558489828.db2.gz XDHONZUNJSGWEQ-MRXNPFEDSA-N 1 2 415.921 3.327 50 0 HGAALO Cc1cc2ncc(C(=O)N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)c(C)n2n1 ZINC000022690597 558504587 /nfs/dbraw/zinc/50/45/87/558504587.db2.gz RNDMUDPTKLMOLK-UHFFFAOYSA-N 1 2 417.435 3.323 50 0 HGAALO c1nn(-c2ccccc2)c2nc(NCC[NH+]3CCOCC3)nc(Nc3ccccc3)c12 ZINC000022698841 558505307 /nfs/dbraw/zinc/50/53/07/558505307.db2.gz NJRPEOXVTSHKTH-UHFFFAOYSA-N 1 2 415.501 3.303 50 0 HGAALO Cc1ccc2c(C[NH+]3CCN(CC(=O)Nc4ccc(C)c(F)c4)CC3)cc(=O)oc2c1 ZINC000022752845 558507792 /nfs/dbraw/zinc/50/77/92/558507792.db2.gz RSBBEKUUSRJZBP-UHFFFAOYSA-N 1 2 423.488 3.305 50 0 biogenic,in-vitro HGAALO C[C@H](NC(=O)CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)c1cc2ccccc2o1 ZINC000022807178 558513809 /nfs/dbraw/zinc/51/38/09/558513809.db2.gz IJFJFBVKLBJBTM-SFHVURJKSA-N 1 2 419.525 3.363 50 0 HGAALO CCCCNC(=O)C[NH+]1CCN(c2nc(C)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000022810129 558514032 /nfs/dbraw/zinc/51/40/32/558514032.db2.gz KZTZQABHFXEOFV-OAHLLOKOSA-N 1 2 415.607 3.163 50 0 HGAALO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccc(Cl)s4)CC3)C2=O)c(C)c1 ZINC000022932968 558525137 /nfs/dbraw/zinc/52/51/37/558525137.db2.gz GLIVECXQDOKBGN-SFHVURJKSA-N 1 2 417.962 3.468 50 0 HGAALO O=C(C[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)NCCc1ccccc1 ZINC000023095834 558534120 /nfs/dbraw/zinc/53/41/20/558534120.db2.gz BBRCPOUIGAUGPD-UHFFFAOYSA-N 1 2 406.357 3.470 50 0 HGAALO COc1ccc(Cc2noc(C[N@H+](C)Cc3cccc(-n4cccn4)c3)n2)cc1OC ZINC000013594785 558546909 /nfs/dbraw/zinc/54/69/09/558546909.db2.gz GYZIZRVEMCRRLN-UHFFFAOYSA-N 1 2 419.485 3.495 50 0 HGAALO COc1ccc(Cc2noc(C[N@@H+](C)Cc3cccc(-n4cccn4)c3)n2)cc1OC ZINC000013594785 558546911 /nfs/dbraw/zinc/54/69/11/558546911.db2.gz GYZIZRVEMCRRLN-UHFFFAOYSA-N 1 2 419.485 3.495 50 0 HGAALO COC(=O)c1ccc(-c2nc(CN3CC[NH+](Cc4ncccc4C)CC3)c(C)o2)cc1 ZINC000023375218 558554813 /nfs/dbraw/zinc/55/48/13/558554813.db2.gz IHGWKDHMNGRGRX-UHFFFAOYSA-N 1 2 420.513 3.458 50 0 HGAALO O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736840 558572287 /nfs/dbraw/zinc/57/22/87/558572287.db2.gz GZQPZTCOFXQGCX-UHFFFAOYSA-N 1 2 403.935 3.486 50 0 HGAALO O=C(NCc1cn2ccccc2[nH+]1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000023754766 558574051 /nfs/dbraw/zinc/57/40/51/558574051.db2.gz LVRAXUCEKPFFPT-UHFFFAOYSA-N 1 2 424.457 3.204 50 0 HGAALO C[N@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000023762582 558574674 /nfs/dbraw/zinc/57/46/74/558574674.db2.gz RUTDHHRIWQKSGI-UHFFFAOYSA-N 1 2 422.573 3.190 50 0 HGAALO C[N@@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000023762582 558574676 /nfs/dbraw/zinc/57/46/76/558574676.db2.gz RUTDHHRIWQKSGI-UHFFFAOYSA-N 1 2 422.573 3.190 50 0 HGAALO CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000023762582 558574678 /nfs/dbraw/zinc/57/46/78/558574678.db2.gz RUTDHHRIWQKSGI-UHFFFAOYSA-N 1 2 422.573 3.190 50 0 HGAALO O=C1c2cccc3cccc(c23)N1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000023844306 558577527 /nfs/dbraw/zinc/57/75/27/558577527.db2.gz KJZXPRLJODODAT-UHFFFAOYSA-N 1 2 415.493 3.347 50 0 HGAALO CSCC[C@@H]1NC(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)C1=O ZINC000023846646 558577717 /nfs/dbraw/zinc/57/77/17/558577717.db2.gz LFHAOFCCCYHKFQ-XJKSGUPXSA-N 1 2 407.586 3.388 50 0 HGAALO CSCC[C@@H]1NC(=O)N(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)C1=O ZINC000023846646 558577720 /nfs/dbraw/zinc/57/77/20/558577720.db2.gz LFHAOFCCCYHKFQ-XJKSGUPXSA-N 1 2 407.586 3.388 50 0 HGAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000023864622 558578224 /nfs/dbraw/zinc/57/82/24/558578224.db2.gz YGGOEJOXWCCGPB-QHCPKHFHSA-N 1 2 400.526 3.304 50 0 HGAALO COc1ccc([C@H](NC(=O)c2cc(Cl)c3c(c2)OCCO3)c2[nH+]ccn2C)cc1 ZINC000024025692 558585203 /nfs/dbraw/zinc/58/52/03/558585203.db2.gz QRYMLWGDCOYYNF-SFHVURJKSA-N 1 2 413.861 3.373 50 0 HGAALO NC(=O)N[C@@H](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000024437508 558597361 /nfs/dbraw/zinc/59/73/61/558597361.db2.gz TUKQUHGFQWUNDM-IBGZPJMESA-N 1 2 411.893 3.001 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 ZINC000024601813 558602476 /nfs/dbraw/zinc/60/24/76/558602476.db2.gz LUWZVNUYNWWKIT-UHFFFAOYSA-N 1 2 419.319 3.424 50 0 HGAALO COc1ccc(C2=NN(C(=O)CSc3nc(N)cc(C)[nH+]3)[C@H](c3ccco3)C2)cc1 ZINC000024841113 558616807 /nfs/dbraw/zinc/61/68/07/558616807.db2.gz CVASWSIDRUPIOC-KRWDZBQOSA-N 1 2 423.498 3.439 50 0 HGAALO CC(=O)c1ccc(OCC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000014303475 558652121 /nfs/dbraw/zinc/65/21/21/558652121.db2.gz UOQKVWLSYOAZKO-UHFFFAOYSA-N 1 2 416.905 3.145 50 0 HGAALO CCOC(=O)C1=C(C[N@H+](C)Cc2cccc(F)c2)NC(=O)N[C@@H]1c1cccs1 ZINC000027348921 558672243 /nfs/dbraw/zinc/67/22/43/558672243.db2.gz GNGFHYNRAOZHNK-GOSISDBHSA-N 1 2 403.479 3.190 50 0 HGAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2cccc(F)c2)NC(=O)N[C@@H]1c1cccs1 ZINC000027348921 558672245 /nfs/dbraw/zinc/67/22/45/558672245.db2.gz GNGFHYNRAOZHNK-GOSISDBHSA-N 1 2 403.479 3.190 50 0 HGAALO CCCCCOc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)c2ccccc12 ZINC000028251964 558693838 /nfs/dbraw/zinc/69/38/38/558693838.db2.gz FQWNEPRJUBKVSH-UHFFFAOYSA-N 1 2 420.575 3.409 50 0 HGAALO Cc1cc(N2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000015033028 558703671 /nfs/dbraw/zinc/70/36/71/558703671.db2.gz XPPRDABYBQRFMQ-UHFFFAOYSA-N 1 2 412.925 3.121 50 0 HGAALO Cc1cccc(N2C[C@H](C(=O)N[C@@H](c3[nH+]ccn3C)c3cccc(F)c3)CC2=O)c1C ZINC000029080392 558709614 /nfs/dbraw/zinc/70/96/14/558709614.db2.gz DKFYOEMWLYPQJX-XMSQKQJNSA-N 1 2 420.488 3.435 50 0 HGAALO Cc1cccc(N2C[C@@H](C(=O)N[C@H](c3[nH+]ccn3C)c3cccc(F)c3)CC2=O)c1C ZINC000029080379 558709706 /nfs/dbraw/zinc/70/97/06/558709706.db2.gz DKFYOEMWLYPQJX-AVRDEDQJSA-N 1 2 420.488 3.435 50 0 HGAALO COc1cccc([C@@H](NS(=O)(=O)c2cccc3cc(C)cnc32)c2[nH+]ccn2C)c1 ZINC000029352855 558714244 /nfs/dbraw/zinc/71/42/44/558714244.db2.gz PRKNBUAKPNRZPK-OAQYLSRUSA-N 1 2 422.510 3.353 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c(OC)c1OC ZINC000030535881 558731961 /nfs/dbraw/zinc/73/19/61/558731961.db2.gz DDABJWLZUOVHRA-UHFFFAOYSA-N 1 2 423.513 3.162 50 0 HGAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4cccc(F)c4C)CC3)[nH+]c(C)n2)n1 ZINC000035597329 558793870 /nfs/dbraw/zinc/79/38/70/558793870.db2.gz WCBNNKUAOAJTCP-UHFFFAOYSA-N 1 2 423.496 3.389 50 0 HGAALO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)cc3F)[C@H](CCO)C2)c(F)c1 ZINC000039399544 558820825 /nfs/dbraw/zinc/82/08/25/558820825.db2.gz PPFKXYKSKDBMLH-GOSISDBHSA-N 1 2 406.473 3.051 50 0 HGAALO COc1ccc(CN2CC[N@@H+](Cc3ccc(OC)cc3F)[C@H](CCO)C2)c(F)c1 ZINC000039399544 558820827 /nfs/dbraw/zinc/82/08/27/558820827.db2.gz PPFKXYKSKDBMLH-GOSISDBHSA-N 1 2 406.473 3.051 50 0 HGAALO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)cc3F)C[C@H]2CCO)c(F)c1 ZINC000039399544 558820831 /nfs/dbraw/zinc/82/08/31/558820831.db2.gz PPFKXYKSKDBMLH-GOSISDBHSA-N 1 2 406.473 3.051 50 0 HGAALO COc1ccc(CN2CC[N@@H+](Cc3ccc(OC)cc3F)C[C@H]2CCO)c(F)c1 ZINC000039399544 558820832 /nfs/dbraw/zinc/82/08/32/558820832.db2.gz PPFKXYKSKDBMLH-GOSISDBHSA-N 1 2 406.473 3.051 50 0 HGAALO O=C1C[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018148600 558832111 /nfs/dbraw/zinc/83/21/11/558832111.db2.gz ZIJQQIPCUXQDLS-SFHVURJKSA-N 1 2 404.297 3.448 50 0 HGAALO O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2[nH+]cccc2-n2cccc2)CC1 ZINC000033034570 558858689 /nfs/dbraw/zinc/85/86/89/558858689.db2.gz LLSTXEWNBJBSTK-UHFFFAOYSA-N 1 2 404.470 3.134 50 0 HGAALO COCC[N@H+](Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(C)C ZINC000019300093 558866287 /nfs/dbraw/zinc/86/62/87/558866287.db2.gz IUXQMFFMBNMPKP-UHFFFAOYSA-N 1 2 407.580 3.370 50 0 HGAALO COCC[N@@H+](Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(C)C ZINC000019300093 558866290 /nfs/dbraw/zinc/86/62/90/558866290.db2.gz IUXQMFFMBNMPKP-UHFFFAOYSA-N 1 2 407.580 3.370 50 0 HGAALO COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)c1 ZINC000033072183 558866887 /nfs/dbraw/zinc/86/68/87/558866887.db2.gz OOFQTPQUDFHEIQ-MRXNPFEDSA-N 1 2 408.502 3.421 50 0 HGAALO COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)c1 ZINC000033072183 558866889 /nfs/dbraw/zinc/86/68/89/558866889.db2.gz OOFQTPQUDFHEIQ-MRXNPFEDSA-N 1 2 408.502 3.421 50 0 HGAALO COC(=O)Cc1ccc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000054254207 558866948 /nfs/dbraw/zinc/86/69/48/558866948.db2.gz BSPAPLQILOJBGL-VMPITWQZSA-N 1 2 409.555 3.430 50 0 HGAALO CC[N@H+](CCCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1)c1cccc(C)c1 ZINC000004669453 558877182 /nfs/dbraw/zinc/87/71/82/558877182.db2.gz BHJAHRWJKBQMOH-OAQYLSRUSA-N 1 2 423.557 3.385 50 0 HGAALO CC[N@@H+](CCCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1)c1cccc(C)c1 ZINC000004669453 558877184 /nfs/dbraw/zinc/87/71/84/558877184.db2.gz BHJAHRWJKBQMOH-OAQYLSRUSA-N 1 2 423.557 3.385 50 0 HGAALO O=C(Cc1c2ccccc2[nH]c1Sc1cccc(F)c1)NCC[NH+]1CCOCC1 ZINC000033116315 558877647 /nfs/dbraw/zinc/87/76/47/558877647.db2.gz ZQDXOCGCGYPIST-UHFFFAOYSA-N 1 2 413.518 3.449 50 0 HGAALO CCOC(=O)C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055270845 558878129 /nfs/dbraw/zinc/87/81/29/558878129.db2.gz BQVBJFGZVFAILZ-UHFFFAOYSA-N 1 2 407.470 3.322 50 0 HGAALO CCOC(=O)C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055270845 558878132 /nfs/dbraw/zinc/87/81/32/558878132.db2.gz BQVBJFGZVFAILZ-UHFFFAOYSA-N 1 2 407.470 3.322 50 0 HGAALO CCc1cccc(CC)c1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000058154272 558902667 /nfs/dbraw/zinc/90/26/67/558902667.db2.gz QJWSJFLBUGDTCG-OAQYLSRUSA-N 1 2 420.513 3.398 50 0 HGAALO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000058158795 558904023 /nfs/dbraw/zinc/90/40/23/558904023.db2.gz SPCYKQWQIFOEIU-CQSZACIVSA-N 1 2 404.308 3.304 50 0 HGAALO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1 ZINC000058175435 558909250 /nfs/dbraw/zinc/90/92/50/558909250.db2.gz CHRLHRWTHGZMKV-NRFANRHFSA-N 1 2 420.513 3.008 50 0 HGAALO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1 ZINC000058175435 558909254 /nfs/dbraw/zinc/90/92/54/558909254.db2.gz 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ZINC000012314866 568466415 /nfs/dbraw/zinc/46/64/15/568466415.db2.gz LBBOKWLQIDKWJJ-XMMPIXPASA-N 1 2 413.521 3.115 50 0 HGAALO COc1ccc2c(CC(=O)NC[C@H](c3cccs3)[NH+]3CCOCC3)coc2c1 ZINC000022760211 568500140 /nfs/dbraw/zinc/50/01/40/568500140.db2.gz VLGGPPDUUZWGOO-GOSISDBHSA-N 1 2 400.500 3.235 50 0 HGAALO O=c1c2ccccc2[nH]c(=S)n1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020154006 568590856 /nfs/dbraw/zinc/59/08/56/568590856.db2.gz TYVTZLRLUBELQH-UHFFFAOYSA-N 1 2 400.935 3.161 50 0 HGAALO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000095446867 568612100 /nfs/dbraw/zinc/61/21/00/568612100.db2.gz GAGWEWFPICFKQA-KRWDZBQOSA-N 1 2 406.486 3.476 50 0 HGAALO COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000095446867 568612103 /nfs/dbraw/zinc/61/21/03/568612103.db2.gz GAGWEWFPICFKQA-KRWDZBQOSA-N 1 2 406.486 3.476 50 0 HGAALO COc1cc(C[N@@H+]2CCc3nc(N4CCC(C)CC4)ncc3C2)cc(OC)c1OC ZINC000021039534 568659802 /nfs/dbraw/zinc/65/98/02/568659802.db2.gz CMJZRXWOBNMPBE-UHFFFAOYSA-N 1 2 412.534 3.297 50 0 HGAALO COc1cc(C[N@H+]2CCc3nc(N4CCC(C)CC4)ncc3C2)cc(OC)c1OC ZINC000021039534 568659804 /nfs/dbraw/zinc/65/98/04/568659804.db2.gz CMJZRXWOBNMPBE-UHFFFAOYSA-N 1 2 412.534 3.297 50 0 HGAALO CCCn1c(C(=O)NCC[NH+]2CCOCC2)cc2cc(NC(=O)CC(C)C)ccc21 ZINC000096277669 568716177 /nfs/dbraw/zinc/71/61/77/568716177.db2.gz MYJJZHJTEVQFEF-UHFFFAOYSA-N 1 2 414.550 3.098 50 0 HGAALO O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)nc1)NCC[NH+]1CCOCC1 ZINC000096289107 568719590 /nfs/dbraw/zinc/71/95/90/568719590.db2.gz DJJVOOPSAGAEHA-SFHVURJKSA-N 1 2 412.921 3.187 50 0 HGAALO CCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@H](C)C(=O)OC ZINC000096299908 568723341 /nfs/dbraw/zinc/72/33/41/568723341.db2.gz OTFHTHXOYBVAJH-LJQANCHMSA-N 1 2 400.519 3.433 50 0 HGAALO CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@H](C)C(=O)OC ZINC000096299908 568723343 /nfs/dbraw/zinc/72/33/43/568723343.db2.gz OTFHTHXOYBVAJH-LJQANCHMSA-N 1 2 400.519 3.433 50 0 HGAALO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1F ZINC000238923532 568727381 /nfs/dbraw/zinc/72/73/81/568727381.db2.gz OMSNOCHOYRUFGE-INIZCTEOSA-N 1 2 419.291 3.309 50 0 HGAALO O=C1c2ccccc2C(=O)N1CCSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000942665 568753574 /nfs/dbraw/zinc/75/35/74/568753574.db2.gz LPYQFZLQWQRKQQ-UHFFFAOYSA-N 1 2 401.451 3.204 50 0 HGAALO O=C(/C=C\c1ccc(Br)o1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000096619943 568764050 /nfs/dbraw/zinc/76/40/50/568764050.db2.gz WIMRYHGGQAIFKF-KXQLTZBTSA-N 1 2 411.321 3.307 50 0 HGAALO COc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)NC3(CCCCCC3)C2=O)c(OC)c1 ZINC000052583176 568770856 /nfs/dbraw/zinc/77/08/56/568770856.db2.gz GBLAGLIGDLTNGQ-GOSISDBHSA-N 1 2 401.507 3.443 50 0 HGAALO COc1ccc([C@H]2CCC[N@H+]2CN2C(=O)NC3(CCCCCC3)C2=O)c(OC)c1 ZINC000052583176 568770862 /nfs/dbraw/zinc/77/08/62/568770862.db2.gz GBLAGLIGDLTNGQ-GOSISDBHSA-N 1 2 401.507 3.443 50 0 HGAALO CC(C)[C@@H](NC(=O)C[N@H+](Cc1cnn(C)c1)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000055920808 568784598 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HGAALO CCNc1cc(N2CCC(CCC(=O)NCc3cc(F)cc(F)c3)CC2)[nH+]cn1 ZINC000065274023 569214975 /nfs/dbraw/zinc/21/49/75/569214975.db2.gz BTLZUFPADVJZNC-UHFFFAOYSA-N 1 2 403.477 3.500 50 0 HGAALO CCOc1ccc(C)cc1S(=O)(=O)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700301 569222621 /nfs/dbraw/zinc/22/26/21/569222621.db2.gz IMEADAOLRVPAFJ-NRFANRHFSA-N 1 2 418.559 3.136 50 0 HGAALO CCOc1ccc(C)cc1S(=O)(=O)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700301 569222622 /nfs/dbraw/zinc/22/26/22/569222622.db2.gz IMEADAOLRVPAFJ-NRFANRHFSA-N 1 2 418.559 3.136 50 0 HGAALO O=S(=O)(NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000036700355 569222833 /nfs/dbraw/zinc/22/28/33/569222833.db2.gz BEFPHUNPSZOGNT-FQEVSTJZSA-N 1 2 408.951 3.472 50 0 HGAALO O=S(=O)(NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000036700355 569222834 /nfs/dbraw/zinc/22/28/34/569222834.db2.gz BEFPHUNPSZOGNT-FQEVSTJZSA-N 1 2 408.951 3.472 50 0 HGAALO Cc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000036700390 569222921 /nfs/dbraw/zinc/22/29/21/569222921.db2.gz OMRAWEYZIFIQRY-JOCHJYFZSA-N 1 2 402.560 3.435 50 0 HGAALO Cc1ccc(S(=O)(=O)NCCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000036700390 569222922 /nfs/dbraw/zinc/22/29/22/569222922.db2.gz OMRAWEYZIFIQRY-JOCHJYFZSA-N 1 2 402.560 3.435 50 0 HGAALO CC[C@@H](c1nnc(SCC(=O)NCC(F)(F)F)n1Cc1ccccc1)[NH+](C)C ZINC000007158869 569225959 /nfs/dbraw/zinc/22/59/59/569225959.db2.gz HJDHLCWGDXUFQP-AWEZNQCLSA-N 1 2 415.485 3.110 50 0 HGAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000170638101 569280039 /nfs/dbraw/zinc/28/00/39/569280039.db2.gz ZLZIEWZYYUUMNY-GOSISDBHSA-N 1 2 408.502 3.439 50 0 HGAALO COC(=O)c1ccc(C[N@@H+]2CCN(c3cccc(Br)c3)C(=O)[C@@H]2C)cc1 ZINC000037520288 569302836 /nfs/dbraw/zinc/30/28/36/569302836.db2.gz KWMNDUGIGSPEEP-AWEZNQCLSA-N 1 2 417.303 3.473 50 0 HGAALO COC(=O)c1ccc(C[N@H+]2CCN(c3cccc(Br)c3)C(=O)[C@@H]2C)cc1 ZINC000037520288 569302838 /nfs/dbraw/zinc/30/28/38/569302838.db2.gz KWMNDUGIGSPEEP-AWEZNQCLSA-N 1 2 417.303 3.473 50 0 HGAALO Cc1cc(N2CCN([C@@H](C)C(=O)NCc3ccccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000027545799 569372109 /nfs/dbraw/zinc/37/21/09/569372109.db2.gz NDSHPVLXKVMCDH-KRWDZBQOSA-N 1 2 415.969 3.389 50 0 HGAALO CC1(C)C=C(C[NH+]2CCN(c3ccccc3F)CC2)c2cccc3c2N1C(=O)C3=O ZINC000253495630 569381968 /nfs/dbraw/zinc/38/19/68/569381968.db2.gz LKIPAFCNMKOOMI-UHFFFAOYSA-N 1 2 405.473 3.353 50 0 HGAALO CN(C[C@H]1CCCCO1)c1nc(N(C)C[C@@H]2CCCCO2)[nH+]cc1Br ZINC000079046813 569425274 /nfs/dbraw/zinc/42/52/74/569425274.db2.gz HSHYNNFSILBTMG-CABCVRRESA-N 1 2 413.360 3.250 50 0 HGAALO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000008879713 571131144 /nfs/dbraw/zinc/13/11/44/571131144.db2.gz QPFQUDVKEBEAJM-KRWDZBQOSA-N 1 2 422.481 3.145 50 0 biogenic HGAALO CC[N@H+]1CCC[C@H]1CNC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000008879713 571131146 /nfs/dbraw/zinc/13/11/46/571131146.db2.gz QPFQUDVKEBEAJM-KRWDZBQOSA-N 1 2 422.481 3.145 50 0 biogenic HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000040015860 571138679 /nfs/dbraw/zinc/13/86/79/571138679.db2.gz XZWVYAIDXLHMQX-FPOVZHCZSA-N 1 2 420.488 3.317 50 0 HGAALO O=C(c1cnn2cccnc12)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000040069405 571149542 /nfs/dbraw/zinc/14/95/42/571149542.db2.gz YEOAAFSKUPPSDI-UHFFFAOYSA-N 1 2 403.511 3.416 50 0 HGAALO CCn1c2ccc(C(=O)NCc3ccc(N4CCCCCC4)[nH+]c3)cc2nc(C)c1=O ZINC000040122074 571178020 /nfs/dbraw/zinc/17/80/20/571178020.db2.gz WBJQOVMWQRMPLO-UHFFFAOYSA-N 1 2 419.529 3.430 50 0 HGAALO C[NH+](C)CCN(C(=O)c1ccc(F)cc1)c1nc2c(cccc2S(C)(=O)=O)s1 ZINC000010337311 571301019 /nfs/dbraw/zinc/30/10/19/571301019.db2.gz GXLYLRHWNJJZDO-UHFFFAOYSA-N 1 2 421.519 3.047 50 0 HGAALO CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(-c3cn4cccc(C)c4[nH+]3)cc2)C1=O ZINC000071851835 571303526 /nfs/dbraw/zinc/30/35/26/571303526.db2.gz DPCZDPJMEVPDHU-UHFFFAOYSA-N 1 2 419.485 3.359 50 0 HGAALO Cc1ccccc1N1C(=O)C[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000006549469 132311663 /nfs/dbraw/zinc/31/16/63/132311663.db2.gz XTHJVNSNWPWJCS-LJQANCHMSA-N 1 2 417.431 3.468 50 0 HGAALO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008318600 132329450 /nfs/dbraw/zinc/32/94/50/132329450.db2.gz XQHYVTVEBFNMPU-SFHVURJKSA-N 1 2 421.497 3.359 50 0 HGAALO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008318600 132329453 /nfs/dbraw/zinc/32/94/53/132329453.db2.gz XQHYVTVEBFNMPU-SFHVURJKSA-N 1 2 421.497 3.359 50 0 HGAALO Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000012431603 132359917 /nfs/dbraw/zinc/35/99/17/132359917.db2.gz KYRLQOGRZOVUPX-NRFANRHFSA-N 1 2 420.557 3.371 50 0 HGAALO O=c1cc(N2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)nc2ccccn12 ZINC000012903306 132368349 /nfs/dbraw/zinc/36/83/49/132368349.db2.gz WOMNWXDBQJQOCQ-UHFFFAOYSA-N 1 2 409.540 3.202 50 0 HGAALO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(C)c1 ZINC000012790704 132449224 /nfs/dbraw/zinc/44/92/24/132449224.db2.gz FZVLSGRXUNKPFJ-UHFFFAOYSA-N 1 2 402.564 3.345 50 0 HGAALO CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000032493671 519820133 /nfs/dbraw/zinc/82/01/33/519820133.db2.gz GUYQDEAIQQUJPH-VQTJNVASSA-N 1 2 408.477 3.219 50 0 HGAALO CCCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000020598105 521701854 /nfs/dbraw/zinc/70/18/54/521701854.db2.gz ASZXKWKTNGQMTE-BQJUDKOJSA-N 1 2 404.441 3.429 50 0 HGAALO CCCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000020598105 521701856 /nfs/dbraw/zinc/70/18/56/521701856.db2.gz ASZXKWKTNGQMTE-BQJUDKOJSA-N 1 2 404.441 3.429 50 0 HGAALO COc1cc(CN(C)C(=O)NCCc2cn3ccccc3[nH+]2)ccc1OC(F)F ZINC000045610556 522344315 /nfs/dbraw/zinc/34/43/15/522344315.db2.gz KQVUPFYECUDJKF-UHFFFAOYSA-N 1 2 404.417 3.328 50 0 HGAALO COc1cc(C[N@H+](C)[C@@H](C(=O)N2CCOCC2)c2ccccc2)ccc1OC(F)F ZINC000032751366 522354143 /nfs/dbraw/zinc/35/41/43/522354143.db2.gz XEEGLZVGWXNSCL-HXUWFJFHSA-N 1 2 420.456 3.329 50 0 HGAALO COc1cc(C[N@@H+](C)[C@@H](C(=O)N2CCOCC2)c2ccccc2)ccc1OC(F)F ZINC000032751366 522354158 /nfs/dbraw/zinc/35/41/58/522354158.db2.gz XEEGLZVGWXNSCL-HXUWFJFHSA-N 1 2 420.456 3.329 50 0 HGAALO CCc1nn2c(nnc3c(=O)n(CCc4c[nH+]c[nH]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040395931 522713755 /nfs/dbraw/zinc/71/37/55/522713755.db2.gz MXNDLCHYELAXHB-UHFFFAOYSA-N 1 2 419.876 3.288 50 0 HGAALO CCc1nn2c(nnc3c(=O)n(CCc4c[nH]c[nH+]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040395931 522713760 /nfs/dbraw/zinc/71/37/60/522713760.db2.gz MXNDLCHYELAXHB-UHFFFAOYSA-N 1 2 419.876 3.288 50 0 HGAALO C[NH+]1CCN(C(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)CC1 ZINC000032945205 523875035 /nfs/dbraw/zinc/87/50/35/523875035.db2.gz YXRQFGYULCEPNU-UHFFFAOYSA-N 1 2 419.620 3.302 50 0 HGAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022877717 524255140 /nfs/dbraw/zinc/25/51/40/524255140.db2.gz CAIUPXHXPQBOBL-AWEZNQCLSA-N 1 2 419.884 3.353 50 0 HGAALO Cc1ccc(CCC(=O)N2CCN(c3ccc(C4=[NH+]NC(=O)C[C@H]4C)cc3)CC2)cc1 ZINC000000968638 524287159 /nfs/dbraw/zinc/28/71/59/524287159.db2.gz AWGMQIHZCIBMDC-LJQANCHMSA-N 1 2 418.541 3.137 50 0 HGAALO COc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000248148493 524397438 /nfs/dbraw/zinc/39/74/38/524397438.db2.gz USJLSKUJLJCMPX-LWYYNNOASA-N 1 2 424.884 3.184 50 0 HGAALO COc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000248148493 524397452 /nfs/dbraw/zinc/39/74/52/524397452.db2.gz USJLSKUJLJCMPX-LWYYNNOASA-N 1 2 424.884 3.184 50 0 HGAALO Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c1C ZINC000032579191 524667094 /nfs/dbraw/zinc/66/70/94/524667094.db2.gz FJNUEMKQEYKGML-UHFFFAOYSA-N 1 2 418.588 3.048 50 0 HGAALO COc1cccc(CN2CC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)c1 ZINC000020538669 525944234 /nfs/dbraw/zinc/94/42/34/525944234.db2.gz UXORMGYYTWOYNL-QFIPXVFZSA-N 1 2 424.520 3.293 50 0 HGAALO COc1cccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)c1 ZINC000020538669 525944245 /nfs/dbraw/zinc/94/42/45/525944245.db2.gz UXORMGYYTWOYNL-QFIPXVFZSA-N 1 2 424.520 3.293 50 0 HGAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1 ZINC000032931380 526504010 /nfs/dbraw/zinc/50/40/10/526504010.db2.gz MNPDGAPVIMCPLL-UHFFFAOYSA-N 1 2 422.533 3.452 50 0 HGAALO O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000023805506 526679134 /nfs/dbraw/zinc/67/91/34/526679134.db2.gz CBNILBBYJPFONE-UHFFFAOYSA-N 1 2 403.935 3.486 50 0 HGAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032760312 526749596 /nfs/dbraw/zinc/74/95/96/526749596.db2.gz FPZMRCCTGNMSAP-IBGZPJMESA-N 1 2 408.527 3.162 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000022804943 526774518 /nfs/dbraw/zinc/77/45/18/526774518.db2.gz ONKOINHCDIGIOJ-UHFFFAOYSA-N 1 2 419.447 3.397 50 0 HGAALO Clc1cccc(N2CCN(c3nc(N4CCOCC4)c4ccccc4[nH+]3)CC2)c1 ZINC000041148997 526980368 /nfs/dbraw/zinc/98/03/68/526980368.db2.gz ZULDZKRCGWKJDK-UHFFFAOYSA-N 1 2 409.921 3.446 50 0 HGAALO Cn1cc([C@@H](CC(=O)NCC[NH+]2CCOCC2)c2ccccc2F)c2ccccc21 ZINC000106798197 527292553 /nfs/dbraw/zinc/29/25/53/527292553.db2.gz JOJOPYGRXSZICD-FQEVSTJZSA-N 1 2 409.505 3.288 50 0 HGAALO CCOC(=O)c1sc2nc3c(cc2c1NC(=O)C[NH+]1CCCC1)COC(C)(C)C3 ZINC000009341337 557837907 /nfs/dbraw/zinc/83/79/07/557837907.db2.gz WYFNPWBQECRCEL-UHFFFAOYSA-N 1 2 417.531 3.359 50 0 HGAALO Cc1ccc2sc(N3CC[NH+](CCNC(=O)COc4ccccc4)CC3)nc2c1C ZINC000022855270 557842487 /nfs/dbraw/zinc/84/24/87/557842487.db2.gz RESWPSZLVAAOEO-UHFFFAOYSA-N 1 2 424.570 3.230 50 0 HGAALO COCCCn1c(C[N@@H+](Cc2ccccc2)CC2CCC2)cnc1S(C)(=O)=O ZINC000011663325 558266994 /nfs/dbraw/zinc/26/69/94/558266994.db2.gz IEESNIUJZAIMKX-UHFFFAOYSA-N 1 2 405.564 3.125 50 0 HGAALO COCCCn1c(C[N@H+](Cc2ccccc2)CC2CCC2)cnc1S(C)(=O)=O ZINC000011663325 558266996 /nfs/dbraw/zinc/26/69/96/558266996.db2.gz IEESNIUJZAIMKX-UHFFFAOYSA-N 1 2 405.564 3.125 50 0 HGAALO COc1cccc(N2CC[NH+]([C@@H]3CC(=O)N(c4cc(Cl)ccc4C)C3=O)CC2)c1 ZINC000019815013 558287187 /nfs/dbraw/zinc/28/71/87/558287187.db2.gz DBRLSXVETMBSOS-HXUWFJFHSA-N 1 2 413.905 3.111 50 0 HGAALO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019835191 558292509 /nfs/dbraw/zinc/29/25/09/558292509.db2.gz VYXICDUMCQKFDO-UHFFFAOYSA-N 1 2 409.511 3.368 50 0 HGAALO CCc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C(C)=O)cc3OC)CC2)cc1 ZINC000019857455 558296525 /nfs/dbraw/zinc/29/65/25/558296525.db2.gz XQMSDMKNALRTQC-QFIPXVFZSA-N 1 2 412.530 3.022 50 0 HGAALO Cc1cc(OCC(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)cc(C)c1Cl ZINC000019902162 558305310 /nfs/dbraw/zinc/30/53/10/558305310.db2.gz FKNPUTFWWVCFOZ-UHFFFAOYSA-N 1 2 407.986 3.402 50 0 HGAALO CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019929082 558309079 /nfs/dbraw/zinc/30/90/79/558309079.db2.gz SKHAIXPSYXZISY-UHFFFAOYSA-N 1 2 413.543 3.433 50 0 HGAALO Cc1ccc(C[C@@]2(CCC(=O)NCc3cn4c(cccc4C)[nH+]3)CCC(=O)N2)cc1 ZINC000012055601 558315643 /nfs/dbraw/zinc/31/56/43/558315643.db2.gz OGOLYDZVWZTUSZ-XMMPIXPASA-N 1 2 404.514 3.239 50 0 HGAALO CN(CC[NH+]1CCOCC1)C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000020352057 558356889 /nfs/dbraw/zinc/35/68/89/558356889.db2.gz WDVFSPGAJXZJKP-UHFFFAOYSA-N 1 2 407.514 3.407 50 0 HGAALO CC(C)CS(=O)(=O)c1ncc(C[N@H+](C)CC2CCOCC2)n1Cc1ccccc1 ZINC000012305907 558374756 /nfs/dbraw/zinc/37/47/56/558374756.db2.gz FCIIMHCBGWJTBP-UHFFFAOYSA-N 1 2 419.591 3.220 50 0 HGAALO CC(C)CS(=O)(=O)c1ncc(C[N@@H+](C)CC2CCOCC2)n1Cc1ccccc1 ZINC000012305907 558374759 /nfs/dbraw/zinc/37/47/59/558374759.db2.gz FCIIMHCBGWJTBP-UHFFFAOYSA-N 1 2 419.591 3.220 50 0 HGAALO COc1ccc2[nH]c(S[C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000021128415 558431657 /nfs/dbraw/zinc/43/16/57/558431657.db2.gz DEXHYJRLCZSNEC-MRXNPFEDSA-N 1 2 410.543 3.397 50 0 HGAALO COc1ccc(CCn2c(C)cc(C(=O)C[NH+]3CCC(O)CC3)c2C)cc1OC ZINC000021581854 558441959 /nfs/dbraw/zinc/44/19/59/558441959.db2.gz OHBSXRPDUHGHSB-UHFFFAOYSA-N 1 2 400.519 3.004 50 0 HGAALO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000022687489 558504685 /nfs/dbraw/zinc/50/46/85/558504685.db2.gz XBRIGDRJNCRQFE-NRFANRHFSA-N 1 2 405.498 3.291 50 0 HGAALO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000022687489 558504687 /nfs/dbraw/zinc/50/46/87/558504687.db2.gz XBRIGDRJNCRQFE-NRFANRHFSA-N 1 2 405.498 3.291 50 0 HGAALO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1F ZINC000022772784 558509119 /nfs/dbraw/zinc/50/91/19/558509119.db2.gz ZMQQXEHAYFONJG-IAGOWNOFSA-N 1 2 417.500 3.357 50 0 HGAALO O=c1cc(C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)nc2ccccn12 ZINC000022912522 558520050 /nfs/dbraw/zinc/52/00/50/558520050.db2.gz XZOLCCHZGQQUII-UHFFFAOYSA-N 1 2 417.538 3.136 50 0 HGAALO Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000023238652 558544753 /nfs/dbraw/zinc/54/47/53/558544753.db2.gz SDZWBNIWWLFEEO-UHFFFAOYSA-N 1 2 412.515 3.121 50 0 HGAALO COc1cccc2c1OCCC[N@H+](Cc1c(C(=O)N3CCCC3)nc3ccccn31)C2 ZINC000023251116 558546089 /nfs/dbraw/zinc/54/60/89/558546089.db2.gz AKVKIKONYCQSAF-UHFFFAOYSA-N 1 2 420.513 3.364 50 0 HGAALO COc1cccc2c1OCCC[N@@H+](Cc1c(C(=O)N3CCCC3)nc3ccccn31)C2 ZINC000023251116 558546092 /nfs/dbraw/zinc/54/60/92/558546092.db2.gz AKVKIKONYCQSAF-UHFFFAOYSA-N 1 2 420.513 3.364 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000013591786 558546127 /nfs/dbraw/zinc/54/61/27/558546127.db2.gz BEYFEKWVVRAIPI-OKYOBFRVSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000013591786 558546129 /nfs/dbraw/zinc/54/61/29/558546129.db2.gz BEYFEKWVVRAIPI-OKYOBFRVSA-N 1 2 412.848 3.314 50 0 HGAALO CCc1cc2c(C[NH+]3CCN(Cc4ccc5c(c4)CCO5)CC3)cc(=O)oc2cc1O ZINC000023303291 558548346 /nfs/dbraw/zinc/54/83/46/558548346.db2.gz NNGAAYWORPQSKB-UHFFFAOYSA-N 1 2 420.509 3.314 50 0 HGAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(C(C)=O)CC2)c(F)c1 ZINC000023339183 558550280 /nfs/dbraw/zinc/55/02/80/558550280.db2.gz NOPHDYLTPVXDGD-UHFFFAOYSA-N 1 2 408.477 3.351 50 0 HGAALO 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ZINC000029932897 558724240 /nfs/dbraw/zinc/72/42/40/558724240.db2.gz UWRZKCFPNGICKC-NRFANRHFSA-N 1 2 424.570 3.283 50 0 HGAALO O=C(CC[NH+]1CCN(C(=O)c2ccco2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000030146644 558727456 /nfs/dbraw/zinc/72/74/56/558727456.db2.gz ZXOLYKXPBXQISI-QFIPXVFZSA-N 1 2 423.538 3.395 50 0 HGAALO Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C)CC4)cc3N2)cc1 ZINC000033927165 558772182 /nfs/dbraw/zinc/77/21/82/558772182.db2.gz HNWWNDJRBHIJHJ-NVXWUHKLSA-N 1 2 407.440 3.239 50 0 HGAALO COc1ccccc1N1CC[NH+](CCCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000004792317 558781029 /nfs/dbraw/zinc/78/10/29/558781029.db2.gz XJYDWKVNQIJCJV-UHFFFAOYSA-N 1 2 410.543 3.280 50 0 HGAALO C[N@H+](CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccccc21 ZINC000016342861 558786863 /nfs/dbraw/zinc/78/68/63/558786863.db2.gz FFYAHKFABLLOFU-RBBKRZOGSA-N 1 2 412.555 3.216 50 0 HGAALO C[N@@H+](CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccccc21 ZINC000016342861 558786865 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50 0 HGAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000033017492 558834610 /nfs/dbraw/zinc/83/46/10/558834610.db2.gz XYOFXGBXXPWRTR-UHFFFAOYSA-N 1 2 422.529 3.367 50 0 HGAALO O=C1c2ccccc2C(=O)N1CC[NH+]1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000055214941 558876545 /nfs/dbraw/zinc/87/65/45/558876545.db2.gz NIIWABNOFNOZIT-UHFFFAOYSA-N 1 2 418.522 3.228 50 0 HGAALO COCCn1cc[nH+]c1CN(C)[C@@H](c1nnnn1-c1ccccc1C)c1ccccc1 ZINC000055252784 558877637 /nfs/dbraw/zinc/87/76/37/558877637.db2.gz MXMZLAREFJRHAK-JOCHJYFZSA-N 1 2 417.517 3.035 50 0 HGAALO C[N@@H+]1CCc2nc(NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)sc2C1 ZINC000083881752 558886309 /nfs/dbraw/zinc/88/63/09/558886309.db2.gz VMCYMNNQCUIAGN-UHFFFAOYSA-N 1 2 407.495 3.380 50 0 HGAALO C[N@H+]1CCc2nc(NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)sc2C1 ZINC000083881752 558886313 /nfs/dbraw/zinc/88/63/13/558886313.db2.gz VMCYMNNQCUIAGN-UHFFFAOYSA-N 1 2 407.495 3.380 50 0 HGAALO CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000057991192 558892694 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O=C(Nc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1)c1ccco1 ZINC000023642038 559178553 /nfs/dbraw/zinc/17/85/53/559178553.db2.gz QITBHHARSBQMCA-UHFFFAOYSA-N 1 2 419.481 3.369 50 0 HGAALO COc1cc(-c2nc(C(=O)NCCCn3cc[nH+]c3)c(C)s2)cc(OC)c1OC ZINC000011691878 559185446 /nfs/dbraw/zinc/18/54/46/559185446.db2.gz WZLUZLNEERWBMR-UHFFFAOYSA-N 1 2 416.503 3.161 50 0 HGAALO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000033635589 559223922 /nfs/dbraw/zinc/22/39/22/559223922.db2.gz PPKBCXDRJPIAHD-WTGUMLROSA-N 1 2 424.884 3.184 50 0 HGAALO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000033635589 559223923 /nfs/dbraw/zinc/22/39/23/559223923.db2.gz PPKBCXDRJPIAHD-WTGUMLROSA-N 1 2 424.884 3.184 50 0 HGAALO Cc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000033677723 559227978 /nfs/dbraw/zinc/22/79/78/559227978.db2.gz XXXSEIQJRNEGDH-UHFFFAOYSA-N 1 2 416.525 3.412 50 0 HGAALO Cc1cc(-c2cccc(F)c2)nnc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000078903721 560540633 /nfs/dbraw/zinc/54/06/33/560540633.db2.gz RMGIOERISVMHGZ-UHFFFAOYSA-N 1 2 419.504 3.030 50 0 HGAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000008719766 560637840 /nfs/dbraw/zinc/63/78/40/560637840.db2.gz RJOHNDALWVSKFA-UHFFFAOYSA-N 1 2 414.531 3.268 50 0 HGAALO Cc1cccc(C)c1N1C(=O)C[C@H](N2CC[NH+](Cc3ccc(Cl)s3)CC2)C1=O ZINC000101490511 560795882 /nfs/dbraw/zinc/79/58/82/560795882.db2.gz IBXSANWQGOKPMF-KRWDZBQOSA-N 1 2 417.962 3.468 50 0 HGAALO NC(=O)N[C@H](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1Cl ZINC000024437523 560811136 /nfs/dbraw/zinc/81/11/36/560811136.db2.gz CZVJDAGVHBCYGT-LJQANCHMSA-N 1 2 411.893 3.001 50 0 HGAALO CC[C@H](C)c1nc(N2CCN(S(C)(=O)=O)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317309 560848750 /nfs/dbraw/zinc/84/87/50/560848750.db2.gz MKQRXKZSWRSWPQ-KRWDZBQOSA-N 1 2 416.591 3.279 50 0 HGAALO CC[C@@H](C)c1nc(N2CCN(S(C)(=O)=O)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317308 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O=C(C[C@@H]1COCCN1c1[nH+]cnc2c1cnn2-c1ccccc1)c1cccs1 ZINC000095467659 568624865 /nfs/dbraw/zinc/62/48/65/568624865.db2.gz CGOJDOYBEXCKCP-MRXNPFEDSA-N 1 2 405.483 3.355 50 0 HGAALO Cc1cc(C)nc(Nc2ccc(C(=O)N3CC[NH+](CCc4ccccn4)CC3)cc2)n1 ZINC000095473165 568628501 /nfs/dbraw/zinc/62/85/01/568628501.db2.gz OBCIGYYUDXPPLE-UHFFFAOYSA-N 1 2 416.529 3.233 50 0 HGAALO CC(C)(C)O[C@H]1CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)C1 ZINC000225424052 568637076 /nfs/dbraw/zinc/63/70/76/568637076.db2.gz BZGFRGYKEPSIBR-XJKSGUPXSA-N 1 2 413.440 3.182 50 0 HGAALO CC(C)(C)O[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)C1 ZINC000225424052 568637081 /nfs/dbraw/zinc/63/70/81/568637081.db2.gz BZGFRGYKEPSIBR-XJKSGUPXSA-N 1 2 413.440 3.182 50 0 HGAALO CCOCC(=O)Nc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020942336 568652916 /nfs/dbraw/zinc/65/29/16/568652916.db2.gz CORDKXMJHIDUMZ-UHFFFAOYSA-N 1 2 421.497 3.366 50 0 HGAALO Cn1cccc1[C@H](CNS(=O)(=O)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000021153929 568672992 /nfs/dbraw/zinc/67/29/92/568672992.db2.gz VRIIPNGQQMNERR-QHCPKHFHSA-N 1 2 409.555 3.244 50 0 HGAALO Cn1cccc1[C@H](CNS(=O)(=O)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000021153929 568672996 /nfs/dbraw/zinc/67/29/96/568672996.db2.gz VRIIPNGQQMNERR-QHCPKHFHSA-N 1 2 409.555 3.244 50 0 HGAALO C[C@@H](OC(=O)c1cc2sc3ccccc3c2s1)C(=O)NCC[NH+]1CCOCC1 ZINC000225857477 568681198 /nfs/dbraw/zinc/68/11/98/568681198.db2.gz KUFHBRTXPJYPSS-CYBMUJFWSA-N 1 2 418.540 3.110 50 0 HGAALO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000229765956 568715228 /nfs/dbraw/zinc/71/52/28/568715228.db2.gz YSLBWRPUMNMGPC-LKTVYLICSA-N 1 2 403.832 3.416 50 0 HGAALO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000229765956 568715229 /nfs/dbraw/zinc/71/52/29/568715229.db2.gz YSLBWRPUMNMGPC-LKTVYLICSA-N 1 2 403.832 3.416 50 0 HGAALO COc1ccc(C(=O)N2CCN(c3[nH+]ccn3-c3ccc(C)cc3)CC2)c(OC)c1 ZINC000012444665 568725835 /nfs/dbraw/zinc/72/58/35/568725835.db2.gz JCDJHMJSCBSEJM-UHFFFAOYSA-N 1 2 406.486 3.160 50 0 HGAALO Cc1cc(S(=O)(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)c(C)s1 ZINC000240423824 568729969 /nfs/dbraw/zinc/72/99/69/568729969.db2.gz FRDQTMJCIHLIPI-INIZCTEOSA-N 1 2 407.561 3.202 50 0 HGAALO CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2)N2NC(c3ccc(Cl)cc3)=NC2=[NH+]1 ZINC000000940657 568753109 /nfs/dbraw/zinc/75/31/09/568753109.db2.gz YIJNLXJAFACITG-MRXNPFEDSA-N 1 2 400.269 3.430 50 0 HGAALO C[NH+]1CCN([C@@H](c2ccc(F)cc2)C2Sc3nc(-c4ccco4)nn3C2=O)CC1 ZINC000022577375 568770270 /nfs/dbraw/zinc/77/02/70/568770270.db2.gz CAFJOBYJAIIIHT-INIZCTEOSA-N 1 2 413.478 3.232 50 0 HGAALO CCOc1cc2[nH]c(=O)n(CCC[N@H+](CC)c3ccccc3)c(=O)c2cc1OCC ZINC000002952525 568829512 /nfs/dbraw/zinc/82/95/12/568829512.db2.gz YFCUDZOLDVQFKM-UHFFFAOYSA-N 1 2 411.502 3.404 50 0 HGAALO CCOc1cc2[nH]c(=O)n(CCC[N@@H+](CC)c3ccccc3)c(=O)c2cc1OCC ZINC000002952525 568829514 /nfs/dbraw/zinc/82/95/14/568829514.db2.gz YFCUDZOLDVQFKM-UHFFFAOYSA-N 1 2 411.502 3.404 50 0 HGAALO COc1cc(C[NH+]2CCN(c3ccccc3O)CC2)c(OC)cc1Br ZINC000057381149 568830551 /nfs/dbraw/zinc/83/05/51/568830551.db2.gz ZQDUGUGEHTXYTR-UHFFFAOYSA-N 1 2 407.308 3.494 50 0 HGAALO O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000031682364 568837605 /nfs/dbraw/zinc/83/76/05/568837605.db2.gz KMDMPGPVBJRLLJ-UHFFFAOYSA-N 1 2 419.456 3.179 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1cccc(Br)c1)c1ccccc1 ZINC000012534988 568845103 /nfs/dbraw/zinc/84/51/03/568845103.db2.gz FEKSRSNTSTUDAV-SFHVURJKSA-N 1 2 400.276 3.467 50 0 HGAALO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012535093 568845135 /nfs/dbraw/zinc/84/51/35/568845135.db2.gz BQFCFTZINNWRMY-WIYYLYMNSA-N 1 2 402.498 3.141 50 0 HGAALO CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)n(C)c1 ZINC000012535528 568845260 /nfs/dbraw/zinc/84/52/60/568845260.db2.gz ZAAONTVYDPQMPG-UHFFFAOYSA-N 1 2 417.535 3.138 50 0 HGAALO Cc1cccn2cc(COC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)[nH+]c12 ZINC000012544463 568849711 /nfs/dbraw/zinc/84/97/11/568849711.db2.gz JSMFOXIVOLGYRG-UHFFFAOYSA-N 1 2 415.405 3.389 50 0 HGAALO CCN1C[C@H](C[N@H+](C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)Oc2ccccc21 ZINC000057531671 568852414 /nfs/dbraw/zinc/85/24/14/568852414.db2.gz TXQBJXJANPBBHP-AWEZNQCLSA-N 1 2 410.543 3.193 50 0 HGAALO CCN1C[C@H](C[N@@H+](C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)Oc2ccccc21 ZINC000057531671 568852415 /nfs/dbraw/zinc/85/24/15/568852415.db2.gz TXQBJXJANPBBHP-AWEZNQCLSA-N 1 2 410.543 3.193 50 0 HGAALO COc1ccccc1[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1[nH+]ccn1C ZINC000012560233 568857542 /nfs/dbraw/zinc/85/75/42/568857542.db2.gz FTKCVQSIFSOIKX-NRFANRHFSA-N 1 2 411.527 3.375 50 0 HGAALO Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)cc2)cc1 ZINC000012600090 568869721 /nfs/dbraw/zinc/86/97/21/568869721.db2.gz YXJDKFOFEZUXFR-UHFFFAOYSA-N 1 2 406.486 3.053 50 0 HGAALO Cc1cccn2cc(CN3CCN(C(=O)CCc4ccccc4Cl)CCC3=O)[nH+]c12 ZINC000299793505 568876081 /nfs/dbraw/zinc/87/60/81/568876081.db2.gz JLPGKZYHAMZJEG-UHFFFAOYSA-N 1 2 424.932 3.490 50 0 HGAALO COc1ccccc1C(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000031237228 568920269 /nfs/dbraw/zinc/92/02/69/568920269.db2.gz WSECRWXZPAZGNK-UHFFFAOYSA-N 1 2 420.513 3.444 50 0 HGAALO CCn1c(=O)cc(OCC(=O)NCCC[N@H+](CC)c2ccccc2)c2ccccc21 ZINC000004057599 568936725 /nfs/dbraw/zinc/93/67/25/568936725.db2.gz MRNCWXXOVBJWTG-UHFFFAOYSA-N 1 2 407.514 3.433 50 0 HGAALO CCn1c(=O)cc(OCC(=O)NCCC[N@@H+](CC)c2ccccc2)c2ccccc21 ZINC000004057599 568936728 /nfs/dbraw/zinc/93/67/28/568936728.db2.gz MRNCWXXOVBJWTG-UHFFFAOYSA-N 1 2 407.514 3.433 50 0 HGAALO Cc1cnc2c(cccc2S(=O)(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000084129533 568939311 /nfs/dbraw/zinc/93/93/11/568939311.db2.gz GSEXEZNQSGSTFS-LJQANCHMSA-N 1 2 424.570 3.032 50 0 HGAALO Cc1cnc2c(cccc2S(=O)(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000084129534 568939414 /nfs/dbraw/zinc/93/94/14/568939414.db2.gz GSEXEZNQSGSTFS-IBGZPJMESA-N 1 2 424.570 3.032 50 0 HGAALO Cc1nn(CC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c(=O)c2ccccc12 ZINC000012756100 568943124 /nfs/dbraw/zinc/94/31/24/568943124.db2.gz VUZZPHZZCOFZIM-CQSZACIVSA-N 1 2 411.531 3.032 50 0 HGAALO Cc1nn(CC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c(=O)c2ccccc12 ZINC000012756100 568943126 /nfs/dbraw/zinc/94/31/26/568943126.db2.gz VUZZPHZZCOFZIM-CQSZACIVSA-N 1 2 411.531 3.032 50 0 HGAALO O=C(CCOc1ccccc1F)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000084507161 568949858 /nfs/dbraw/zinc/94/98/58/568949858.db2.gz QJWWGDOMPYFOSF-UHFFFAOYSA-N 1 2 406.885 3.471 50 0 HGAALO COc1ccccc1C[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012780695 568957703 /nfs/dbraw/zinc/95/77/03/568957703.db2.gz SUEDCJDBVWUPSJ-UHFFFAOYSA-N 1 2 419.407 3.365 50 0 HGAALO COc1ccccc1C[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012780695 568957705 /nfs/dbraw/zinc/95/77/05/568957705.db2.gz SUEDCJDBVWUPSJ-UHFFFAOYSA-N 1 2 419.407 3.365 50 0 HGAALO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012808150 568980610 /nfs/dbraw/zinc/98/06/10/568980610.db2.gz 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416.485 3.203 50 0 HGAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000040122096 571177956 /nfs/dbraw/zinc/17/79/56/571177956.db2.gz VDCUJCCRGNIPDM-IBGZPJMESA-N 1 2 410.518 3.224 50 0 HGAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000040122098 571178272 /nfs/dbraw/zinc/17/82/72/571178272.db2.gz XCJDVCQQTVUEFX-UHFFFAOYSA-N 1 2 406.486 3.045 50 0 HGAALO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCN(c2cc(F)cc(F)c2)CC1 ZINC000069570435 571230414 /nfs/dbraw/zinc/23/04/14/571230414.db2.gz PJLDBPBEMHAASZ-FOIQADDNSA-N 1 2 401.457 3.115 50 0 HGAALO O=C(CCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)NCCCn1cc[nH+]c1 ZINC000009187642 571235243 /nfs/dbraw/zinc/23/52/43/571235243.db2.gz YSYFJRXWZUHDCA-FOWTUZBSSA-N 1 2 418.906 3.169 50 0 HGAALO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCn2cc[nH+]c2)ccc1C ZINC000009356306 571251136 /nfs/dbraw/zinc/25/11/36/571251136.db2.gz PXVLDGWXJMEDTB-UHFFFAOYSA-N 1 2 412.515 3.121 50 0 HGAALO Cc1cccc(CS(=O)(=O)N2CC[NH+](CCn3ccnc3-c3ccccc3)CC2)c1 ZINC000077160855 571311784 /nfs/dbraw/zinc/31/17/84/571311784.db2.gz UBJMBCSVCUQFHJ-UHFFFAOYSA-N 1 2 424.570 3.006 50 0 HGAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1C(=O)c1ccccc1 ZINC000011153106 132347785 /nfs/dbraw/zinc/34/77/85/132347785.db2.gz BNUFHPYPMWXRDD-UHFFFAOYSA-N 1 2 401.466 3.079 50 0 HGAALO Cc1nc(N2CCC(C(=O)NCc3c[nH+]c4ccccn34)CC2)nc2ccc(F)cc12 ZINC000011911564 132352149 /nfs/dbraw/zinc/35/21/49/132352149.db2.gz URYHVXAXMSQRKY-UHFFFAOYSA-N 1 2 418.476 3.258 50 0 HGAALO CC[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012790052 132449212 /nfs/dbraw/zinc/44/92/12/132449212.db2.gz YVXTZNUNAKIPLH-GOSISDBHSA-N 1 2 406.452 3.317 50 0 HGAALO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000020109778 518397184 /nfs/dbraw/zinc/39/71/84/518397184.db2.gz JFVIDPUOHSJYAT-HXUWFJFHSA-N 1 2 402.922 3.413 50 0 HGAALO CCN(C(=O)C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC1 ZINC000032913771 519912558 /nfs/dbraw/zinc/91/25/58/519912558.db2.gz QFWFHGDVXBOGMJ-UHFFFAOYSA-N 1 2 404.864 3.277 50 0 HGAALO CCN(C(=O)C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC1 ZINC000032913771 519912563 /nfs/dbraw/zinc/91/25/63/519912563.db2.gz QFWFHGDVXBOGMJ-UHFFFAOYSA-N 1 2 404.864 3.277 50 0 HGAALO CCOc1ccccc1CN1CC[N@H+](Cc2c(OC)cccc2OC)C[C@@H]1CCO ZINC000020598470 521484214 /nfs/dbraw/zinc/48/42/14/521484214.db2.gz GNUOLBHRWKSCMV-FQEVSTJZSA-N 1 2 414.546 3.171 50 0 HGAALO CCOc1ccccc1CN1CC[N@@H+](Cc2c(OC)cccc2OC)C[C@@H]1CCO ZINC000020598470 521484219 /nfs/dbraw/zinc/48/42/19/521484219.db2.gz GNUOLBHRWKSCMV-FQEVSTJZSA-N 1 2 414.546 3.171 50 0 HGAALO COc1c2c(c(NC(=O)c3ccc(Cl)nc3Cl)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123961 521886734 /nfs/dbraw/zinc/88/67/34/521886734.db2.gz PYRKGSGJFKAZLN-UHFFFAOYSA-N 1 2 410.257 3.366 50 0 biogenic HGAALO COc1c2c(c(NC(=O)c3ccc(Cl)nc3Cl)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123961 521886742 /nfs/dbraw/zinc/88/67/42/521886742.db2.gz PYRKGSGJFKAZLN-UHFFFAOYSA-N 1 2 410.257 3.366 50 0 biogenic HGAALO CC[C@@H](Oc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020568003 523062482 /nfs/dbraw/zinc/06/24/82/523062482.db2.gz JOYDRKICNAAJMF-GOSISDBHSA-N 1 2 400.450 3.056 50 0 HGAALO COc1ccc(-n2ccnc2SCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000032903838 523338740 /nfs/dbraw/zinc/33/87/40/523338740.db2.gz BTBUZYPONCWPAA-UHFFFAOYSA-N 1 2 415.544 3.056 50 0 HGAALO COc1ccc(-n2ccnc2SCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000032903838 523338744 /nfs/dbraw/zinc/33/87/44/523338744.db2.gz BTBUZYPONCWPAA-UHFFFAOYSA-N 1 2 415.544 3.056 50 0 HGAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032860078 526750379 /nfs/dbraw/zinc/75/03/79/526750379.db2.gz RLMIDNBDEOBRIA-OAQYLSRUSA-N 1 2 420.488 3.239 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000022805321 526773882 /nfs/dbraw/zinc/77/38/82/526773882.db2.gz CZGHYQQSFJXTTC-UHFFFAOYSA-N 1 2 419.447 3.397 50 0 HGAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000032869217 526857371 /nfs/dbraw/zinc/85/73/71/526857371.db2.gz KVVCHDVTGJQNBB-QFIPXVFZSA-N 1 2 416.525 3.164 50 0 HGAALO O=C1C(Cl)=C(N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccccc1Cl ZINC000019792814 526956872 /nfs/dbraw/zinc/95/68/72/526956872.db2.gz BAWXSSYHCPZZRF-UHFFFAOYSA-N 1 2 416.308 3.481 50 0 HGAALO Cn1cc[nH+]c1CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000040640817 527429086 /nfs/dbraw/zinc/42/90/86/527429086.db2.gz JTHDWQLDMVLLEU-UHFFFAOYSA-N 1 2 413.124 3.010 50 0 HGAALO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4cc(Cl)ccc4C)CC3)C2=O)cc1 ZINC000003374471 536662122 /nfs/dbraw/zinc/66/21/22/536662122.db2.gz HWXXLJMBWUMTMO-HXUWFJFHSA-N 1 2 413.905 3.111 50 0 HGAALO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1)CCCC2 ZINC000004698335 557582780 /nfs/dbraw/zinc/58/27/80/557582780.db2.gz NTMHOZMLZDOMDI-AWEZNQCLSA-N 1 2 422.547 3.017 50 0 HGAALO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1)CCCC2 ZINC000004698335 557582781 /nfs/dbraw/zinc/58/27/81/557582781.db2.gz NTMHOZMLZDOMDI-AWEZNQCLSA-N 1 2 422.547 3.017 50 0 HGAALO O=C(NCCCn1cc[nH+]c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000009356057 557838772 /nfs/dbraw/zinc/83/87/72/557838772.db2.gz YWQRSLQMUZSDJT-UHFFFAOYSA-N 1 2 418.906 3.157 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000022854091 557840852 /nfs/dbraw/zinc/84/08/52/557840852.db2.gz GVGARMLKIPVCKF-KRWDZBQOSA-N 1 2 414.531 3.296 50 0 HGAALO Cc1ccc(Cl)c(-n2ncc3c2nc[nH+]c3N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000022864274 557843423 /nfs/dbraw/zinc/84/34/23/557843423.db2.gz JRSWQUHVYBBVGY-UHFFFAOYSA-N 1 2 422.876 3.333 50 0 HGAALO Clc1ccc(-c2nnc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)cc1 ZINC000022918339 558262829 /nfs/dbraw/zinc/26/28/29/558262829.db2.gz URTNVDNZQUKLEB-UHFFFAOYSA-N 1 2 412.877 3.437 50 0 HGAALO O=C(c1cn(Cc2cccc(Cl)c2)nn1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019743337 558263803 /nfs/dbraw/zinc/26/38/03/558263803.db2.gz VIGWHCZTOJMHIA-WEVVVXLNSA-N 1 2 421.932 3.451 50 0 HGAALO Cc1[nH+]c2cc(NS(C)(=O)=O)cc(C(=O)NCC(C)C)c2n1Cc1ccccc1 ZINC000011785103 558275959 /nfs/dbraw/zinc/27/59/59/558275959.db2.gz NQQOINCRPCVJDX-UHFFFAOYSA-N 1 2 414.531 3.150 50 0 HGAALO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2c[nH]c(C)n2)CC1)c1ccccc1 ZINC000011820181 558283342 /nfs/dbraw/zinc/28/33/42/558283342.db2.gz HKGOJVXISOQGND-NRFANRHFSA-N 1 2 408.506 3.078 50 0 HGAALO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4cc(C)ccc4C)CC3)C2=O)cc1 ZINC000019800395 558285562 /nfs/dbraw/zinc/28/55/62/558285562.db2.gz BCAIZONUONPPNV-JOCHJYFZSA-N 1 2 407.514 3.156 50 0 HGAALO O=C(COc1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000019889486 558302498 /nfs/dbraw/zinc/30/24/98/558302498.db2.gz JGCUQUQXSZHTCA-UHFFFAOYSA-N 1 2 407.283 3.311 50 0 HGAALO O=C(c1cccc(Br)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020123857 558337046 /nfs/dbraw/zinc/33/70/46/558337046.db2.gz VBZUJGAOPRQQCQ-UHFFFAOYSA-N 1 2 403.276 3.136 50 0 HGAALO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000020213536 558348064 /nfs/dbraw/zinc/34/80/64/558348064.db2.gz IQGCFXDSNCLLLQ-UHFFFAOYSA-N 1 2 419.525 3.420 50 0 HGAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1)NCC1(c2ccccc2)CCCC1 ZINC000012199846 558351117 /nfs/dbraw/zinc/35/11/17/558351117.db2.gz PNXXMHFIBCKLGX-JOCHJYFZSA-N 1 2 405.542 3.005 50 0 HGAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)NCC1(c2ccccc2)CCCC1 ZINC000012199846 558351119 /nfs/dbraw/zinc/35/11/19/558351119.db2.gz PNXXMHFIBCKLGX-JOCHJYFZSA-N 1 2 405.542 3.005 50 0 HGAALO CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCC[NH+]4CCOCC4)c23)CO1 ZINC000020358855 558358260 /nfs/dbraw/zinc/35/82/60/558358260.db2.gz WEXFNYHTNZFCMP-IBGZPJMESA-N 1 2 408.593 3.399 50 0 HGAALO Cc1ccc(C[C@]2(CCC(=O)N3CCCC[C@@H]3c3[nH+]ccn3C)CCC(=O)N2)cc1 ZINC000012242494 558360612 /nfs/dbraw/zinc/36/06/12/558360612.db2.gz DWIZOBKIHPZGFP-HYBUGGRVSA-N 1 2 408.546 3.454 50 0 HGAALO Cc1ccc(C[C@]2(CCC(=O)N3CCCC[C@H]3c3[nH+]ccn3C)CCC(=O)N2)cc1 ZINC000012242496 558360640 /nfs/dbraw/zinc/36/06/40/558360640.db2.gz DWIZOBKIHPZGFP-GBXCKJPGSA-N 1 2 408.546 3.454 50 0 HGAALO COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(N)n1)CC[N@@H+](C)C3 ZINC000020440112 558363372 /nfs/dbraw/zinc/36/33/72/558363372.db2.gz YMWFPZQBSJLIEZ-UHFFFAOYSA-N 1 2 415.544 3.001 50 0 HGAALO COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(N)n1)CC[N@H+](C)C3 ZINC000020440112 558363375 /nfs/dbraw/zinc/36/33/75/558363375.db2.gz YMWFPZQBSJLIEZ-UHFFFAOYSA-N 1 2 415.544 3.001 50 0 HGAALO CC(C)S(=O)(=O)c1ncc(C[N@H+](C)CC2CCOCC2)n1CCc1ccccc1 ZINC000012446017 558414044 /nfs/dbraw/zinc/41/40/44/558414044.db2.gz FORBICPCXJYTDV-UHFFFAOYSA-N 1 2 419.591 3.166 50 0 HGAALO CC(C)S(=O)(=O)c1ncc(C[N@@H+](C)CC2CCOCC2)n1CCc1ccccc1 ZINC000012446017 558414046 /nfs/dbraw/zinc/41/40/46/558414046.db2.gz FORBICPCXJYTDV-UHFFFAOYSA-N 1 2 419.591 3.166 50 0 HGAALO COc1ccc(Cn2cc(C(=O)N[C@H](CCn3cc[nH+]c3)c3ccccc3)nn2)cc1 ZINC000012446395 558414403 /nfs/dbraw/zinc/41/44/03/558414403.db2.gz JJUFBRZYUPHFSX-OAQYLSRUSA-N 1 2 416.485 3.093 50 0 HGAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1 ZINC000020907827 558421468 /nfs/dbraw/zinc/42/14/68/558421468.db2.gz RMSULZZSGJIKRE-UHFFFAOYSA-N 1 2 405.498 3.323 50 0 HGAALO O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000021216500 558433844 /nfs/dbraw/zinc/43/38/44/558433844.db2.gz XAGITWPCPVKHPM-UHFFFAOYSA-N 1 2 424.888 3.417 50 0 HGAALO COc1cc(OC)cc([C@@H](NC(=O)CCc2nc3ccccc3o2)c2[nH+]ccn2C)c1 ZINC000012628832 558441172 /nfs/dbraw/zinc/44/11/72/558441172.db2.gz DKPXHHUSVUSNAN-JOCHJYFZSA-N 1 2 420.469 3.417 50 0 HGAALO CN(C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)[C@@H]1CCCc2ccccc21 ZINC000021972733 558456864 /nfs/dbraw/zinc/45/68/64/558456864.db2.gz GHULAZDUURVCAT-JOCHJYFZSA-N 1 2 421.541 3.069 50 0 HGAALO CN(C(=O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)[C@@H]1CCCc2ccccc21 ZINC000021972733 558456866 /nfs/dbraw/zinc/45/68/66/558456866.db2.gz GHULAZDUURVCAT-JOCHJYFZSA-N 1 2 421.541 3.069 50 0 HGAALO CC1=C(C(N)=O)[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N2NC=NC2=[NH+]1 ZINC000004368708 558461990 /nfs/dbraw/zinc/46/19/90/558461990.db2.gz UGHSYUCIWBBKES-GOSISDBHSA-N 1 2 413.840 3.077 50 0 HGAALO Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000012971793 558488989 /nfs/dbraw/zinc/48/89/89/558488989.db2.gz JCVNVCLTIQHLEW-UHFFFAOYSA-N 1 2 419.529 3.214 50 0 HGAALO CCc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000013038311 558505465 /nfs/dbraw/zinc/50/54/65/558505465.db2.gz GMLMKSSEIRJCOV-UHFFFAOYSA-N 1 2 422.573 3.085 50 0 HGAALO C[C@@H](Sc1nc2sccc2c(N)n1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022747901 558507078 /nfs/dbraw/zinc/50/70/78/558507078.db2.gz VYGPEUXFUZHKOG-CQSZACIVSA-N 1 2 413.572 3.099 50 0 HGAALO Cc1ccc([C@H](C)NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000022773032 558509148 /nfs/dbraw/zinc/50/91/48/558509148.db2.gz COSAHPCNKIWEGY-IBGZPJMESA-N 1 2 409.530 3.027 50 0 HGAALO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000022773032 558509151 /nfs/dbraw/zinc/50/91/51/558509151.db2.gz COSAHPCNKIWEGY-IBGZPJMESA-N 1 2 409.530 3.027 50 0 HGAALO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)cc1F ZINC000022787043 558511283 /nfs/dbraw/zinc/51/12/83/558511283.db2.gz RSPKLBBPOPITMN-QGZVFWFLSA-N 1 2 417.500 3.138 50 0 HGAALO CCOc1cccc(CN2CC[N@H+](Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)c1 ZINC000022919246 558522307 /nfs/dbraw/zinc/52/23/07/558522307.db2.gz RZTRHLYKZRZVCO-NRFANRHFSA-N 1 2 414.546 3.171 50 0 HGAALO CCOc1cccc(CN2CC[N@@H+](Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)c1 ZINC000022919246 558522310 /nfs/dbraw/zinc/52/23/10/558522310.db2.gz RZTRHLYKZRZVCO-NRFANRHFSA-N 1 2 414.546 3.171 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@@H]3CCC[N@@H+]32)cc1 ZINC000013571627 558542108 /nfs/dbraw/zinc/54/21/08/558542108.db2.gz IWNOZIKSIZMADR-CBPXPLCBSA-N 1 2 402.494 3.447 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@@H]3CCC[N@H+]32)cc1 ZINC000013571627 558542110 /nfs/dbraw/zinc/54/21/10/558542110.db2.gz IWNOZIKSIZMADR-CBPXPLCBSA-N 1 2 402.494 3.447 50 0 HGAALO O=C(c1ccccc1OC(F)F)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000023240618 558545124 /nfs/dbraw/zinc/54/51/24/558545124.db2.gz YHVVLFLFMPCXCY-UHFFFAOYSA-N 1 2 404.413 3.017 50 0 HGAALO Cc1cccn2cc(COc3cccc(C(=O)N[C@@H](C(N)=O)c4ccccc4)c3)[nH+]c12 ZINC000010895264 558547544 /nfs/dbraw/zinc/54/75/44/558547544.db2.gz LNEAABRSCBJODX-OAQYLSRUSA-N 1 2 414.465 3.178 50 0 HGAALO CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)C[NH+](CCOC)CCOC ZINC000023329971 558549535 /nfs/dbraw/zinc/54/95/35/558549535.db2.gz BJGWAGYYOAWZND-UHFFFAOYSA-N 1 2 424.519 3.027 50 0 HGAALO O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023763464 558575256 /nfs/dbraw/zinc/57/52/56/558575256.db2.gz WJJMQHKBTZGIRJ-UHFFFAOYSA-N 1 2 413.547 3.053 50 0 HGAALO O=S(=O)(c1ccc(F)c(F)c1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000024168954 558591037 /nfs/dbraw/zinc/59/10/37/558591037.db2.gz SWPYAJJBAVPSKJ-UHFFFAOYSA-N 1 2 416.877 3.004 50 0 HGAALO CC(C)Oc1ccc(CC2C(=O)N=C(NCCC[NH+]3CCCCC3)NC2=O)cc1 ZINC000013765184 558591289 /nfs/dbraw/zinc/59/12/89/558591289.db2.gz WOHPVJNFGBRUTD-UHFFFAOYSA-N 1 2 400.523 3.141 50 0 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CCCNC(=O)CSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccc(OC)cc1 ZINC000005084813 559242414 /nfs/dbraw/zinc/24/24/14/559242414.db2.gz VZWYQBIUECXXCG-MRXNPFEDSA-N 1 2 417.579 3.441 50 0 HGAALO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000005321594 560568293 /nfs/dbraw/zinc/56/82/93/560568293.db2.gz UPVXRZXAZJOAQF-MKXGPGLRSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000005321594 560568294 /nfs/dbraw/zinc/56/82/94/560568294.db2.gz UPVXRZXAZJOAQF-MKXGPGLRSA-N 1 2 412.848 3.314 50 0 HGAALO CCCCCCn1c(O)c([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=S ZINC000017196096 560703529 /nfs/dbraw/zinc/70/35/29/560703529.db2.gz VVDLPTYJHPVLOF-GOSISDBHSA-N 1 2 419.547 3.444 50 0 HGAALO CCCCCCn1c(=O)c([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c(O)[nH]c1=S ZINC000017196096 560703530 /nfs/dbraw/zinc/70/35/30/560703530.db2.gz VVDLPTYJHPVLOF-GOSISDBHSA-N 1 2 419.547 3.444 50 0 HGAALO 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O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 ZINC000038732542 571075561 /nfs/dbraw/zinc/07/55/61/571075561.db2.gz LEGWOVZUUFLSEP-VQTJNVASSA-N 1 2 420.538 3.081 50 0 HGAALO COc1cccc(C(=O)C[C@@]2(O)c3ccccc3N(C[NH+]3CCCCCC3)C2=O)c1 ZINC000008569932 571082028 /nfs/dbraw/zinc/08/20/28/571082028.db2.gz OTKWGJMRQMGFFW-XMMPIXPASA-N 1 2 408.498 3.336 50 0 HGAALO CCN(CC)c1nc2sc(C(=O)NC[C@@H](C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2s1 ZINC000039563681 571133411 /nfs/dbraw/zinc/13/34/11/571133411.db2.gz XOTMPPLPIUVYMK-MCIONIFRSA-N 1 2 410.609 3.432 50 0 HGAALO CCN(CC)c1nc2sc(C(=O)NC[C@@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2s1 ZINC000039563681 571133414 /nfs/dbraw/zinc/13/34/14/571133414.db2.gz XOTMPPLPIUVYMK-MCIONIFRSA-N 1 2 410.609 3.432 50 0 HGAALO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccc(-n3cccn3)nc2)C[C@H](C)O1 ZINC000040145362 571195611 /nfs/dbraw/zinc/19/56/11/571195611.db2.gz CXIBUNPMNGROPD-HDICACEKSA-N 1 2 420.517 3.198 50 0 HGAALO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccc(-n3cccn3)nc2)C[C@H](C)O1 ZINC000040145362 571195612 /nfs/dbraw/zinc/19/56/12/571195612.db2.gz CXIBUNPMNGROPD-HDICACEKSA-N 1 2 420.517 3.198 50 0 HGAALO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000009052768 571216482 /nfs/dbraw/zinc/21/64/82/571216482.db2.gz OKWWNTRVFDIARH-OAHLLOKOSA-N 1 2 405.292 3.468 50 0 HGAALO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000009052768 571216483 /nfs/dbraw/zinc/21/64/83/571216483.db2.gz OKWWNTRVFDIARH-OAHLLOKOSA-N 1 2 405.292 3.468 50 0 HGAALO O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000069292075 571218161 /nfs/dbraw/zinc/21/81/61/571218161.db2.gz MURVINHHRURTJU-QGZVFWFLSA-N 1 2 414.527 3.123 50 0 HGAALO CC(C)N(C[C@@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000069369733 571223914 /nfs/dbraw/zinc/22/39/14/571223914.db2.gz ORKRIUYMEIERDZ-GOSISDBHSA-N 1 2 407.559 3.340 50 0 HGAALO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCN(c2cc(F)cc(F)c2)CC1 ZINC000069570437 571230222 /nfs/dbraw/zinc/23/02/22/571230222.db2.gz PJLDBPBEMHAASZ-YWZLYKJASA-N 1 2 401.457 3.115 50 0 HGAALO Fc1cccc(-n2c(SCc3cn4ccccc4[nH+]3)nnc2N2CCOCC2)c1 ZINC000009217594 571237719 /nfs/dbraw/zinc/23/77/19/571237719.db2.gz PEBLDEDNRWSHQT-UHFFFAOYSA-N 1 2 410.478 3.183 50 0 HGAALO O=C(C1CCOCC1)N1CCCCC[C@H]1C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000069742780 571242552 /nfs/dbraw/zinc/24/25/52/571242552.db2.gz GROPZEBZNLEBLW-FQEVSTJZSA-N 1 2 416.566 3.357 50 0 HGAALO CCc1nnc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)C3CCOCC3)CC2)o1 ZINC000069948386 571250824 /nfs/dbraw/zinc/25/08/24/571250824.db2.gz YDMVVLACXWQPMM-IBGZPJMESA-N 1 2 404.555 3.042 50 0 HGAALO C[C@@H](CN1CCCC1=O)NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000070019345 571254437 /nfs/dbraw/zinc/25/44/37/571254437.db2.gz WMBRWLJVNYODRN-INIZCTEOSA-N 1 2 408.527 3.367 50 0 HGAALO C[NH+](C)CCN(C(=O)c1ccc(F)cc1)c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000010337334 571301059 /nfs/dbraw/zinc/30/10/59/571301059.db2.gz ZBYKDTCNWXLMID-UHFFFAOYSA-N 1 2 421.519 3.047 50 0 HGAALO O=C(N/C(=C\c1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000004180577 132272576 /nfs/dbraw/zinc/27/25/76/132272576.db2.gz JBVZJIDYYZZFEV-QOCHGBHMSA-N 1 2 412.493 3.201 50 0 HGAALO FC(F)(F)c1ccc(N2CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)nc1 ZINC000004324557 132275458 /nfs/dbraw/zinc/27/54/58/132275458.db2.gz NXPVHLBNNYVZNP-FQEVSTJZSA-N 1 2 420.479 3.123 50 0 HGAALO FC(F)(F)c1ccc(N2CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)nc1 ZINC000004324557 132275460 /nfs/dbraw/zinc/27/54/60/132275460.db2.gz NXPVHLBNNYVZNP-FQEVSTJZSA-N 1 2 420.479 3.123 50 0 HGAALO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000004700763 132283718 /nfs/dbraw/zinc/28/37/18/132283718.db2.gz HZUKBXKGADEGEZ-UHFFFAOYSA-N 1 2 406.408 3.168 50 0 HGAALO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000010042834 132344888 /nfs/dbraw/zinc/34/48/88/132344888.db2.gz KEPZUZHWXNJFCK-UHFFFAOYSA-N 1 2 414.513 3.176 50 0 HGAALO C[N@H+](CC(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)Cc1ccc(F)c(F)c1 ZINC000012764475 132366823 /nfs/dbraw/zinc/36/68/23/132366823.db2.gz BZZZIFJZIGOLIU-UHFFFAOYSA-N 1 2 413.346 3.401 50 0 HGAALO C[N@@H+](CC(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)Cc1ccc(F)c(F)c1 ZINC000012764475 132366825 /nfs/dbraw/zinc/36/68/25/132366825.db2.gz BZZZIFJZIGOLIU-UHFFFAOYSA-N 1 2 413.346 3.401 50 0 HGAALO Cc1cc(N2CCN(C(=O)COc3ccc(F)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000016103438 132463552 /nfs/dbraw/zinc/46/35/52/132463552.db2.gz ADIMCXXAZMOLBV-UHFFFAOYSA-N 1 2 406.889 3.429 50 0 HGAALO CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000032493670 519820139 /nfs/dbraw/zinc/82/01/39/519820139.db2.gz GUYQDEAIQQUJPH-PMACEKPBSA-N 1 2 408.477 3.219 50 0 HGAALO COc1ccc(Br)c(C(=O)NCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000043976224 523477386 /nfs/dbraw/zinc/47/73/86/523477386.db2.gz MOGBLFSIDJDYIW-UHFFFAOYSA-N 1 2 404.308 3.499 50 0 HGAALO CCc1ccc(CN(C)C(=O)CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000029632059 523919248 /nfs/dbraw/zinc/91/92/48/523919248.db2.gz SZDOTCLKKJECAF-UHFFFAOYSA-N 1 2 409.578 3.251 50 0 HGAALO COc1ccc(C[N@H+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC(F)F ZINC000025482218 524004939 /nfs/dbraw/zinc/00/49/39/524004939.db2.gz LGKLEGUQSVOXJW-UHFFFAOYSA-N 1 2 411.449 3.187 50 0 HGAALO COc1ccc(C[N@@H+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC(F)F ZINC000025482218 524004943 /nfs/dbraw/zinc/00/49/43/524004943.db2.gz LGKLEGUQSVOXJW-UHFFFAOYSA-N 1 2 411.449 3.187 50 0 HGAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(S(=O)(=O)N3CCCC3)o2)c1 ZINC000032932820 524914789 /nfs/dbraw/zinc/91/47/89/524914789.db2.gz MLWDTIGOUAYDFE-LJQANCHMSA-N 1 2 420.531 3.418 50 0 HGAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(S(=O)(=O)N3CCCC3)o2)c1 ZINC000032932820 524914794 /nfs/dbraw/zinc/91/47/94/524914794.db2.gz MLWDTIGOUAYDFE-LJQANCHMSA-N 1 2 420.531 3.418 50 0 HGAALO C[C@H](NC(=O)C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC1 ZINC000025355488 524951725 /nfs/dbraw/zinc/95/17/25/524951725.db2.gz WGJQSZBWEHIIMX-LBPRGKRZSA-N 1 2 404.864 3.181 50 0 HGAALO C[C@H](NC(=O)C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC1 ZINC000025355488 524951736 /nfs/dbraw/zinc/95/17/36/524951736.db2.gz WGJQSZBWEHIIMX-LBPRGKRZSA-N 1 2 404.864 3.181 50 0 HGAALO C[C@@H]1CN(c2ccc(CNC(=O)COc3ccc(C(F)(F)F)cc3)c[nH+]2)CCO1 ZINC000044552858 525063517 /nfs/dbraw/zinc/06/35/17/525063517.db2.gz XBBBWDWBYWTAPV-CQSZACIVSA-N 1 2 409.408 3.021 50 0 HGAALO COc1ccc2c(C[NH+]3CCN(Cc4ccc5c(c4)CCO5)CC3)cc(=O)oc2c1 ZINC000022805885 525502323 /nfs/dbraw/zinc/50/23/23/525502323.db2.gz HTOGDPLMSMCVJO-UHFFFAOYSA-N 1 2 406.482 3.054 50 0 HGAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032760310 526749605 /nfs/dbraw/zinc/74/96/05/526749605.db2.gz FPZMRCCTGNMSAP-LJQANCHMSA-N 1 2 408.527 3.162 50 0 HGAALO O=C(COc1coc(C[NH+]2CCSCC2)cc1=O)Nc1cccc2ccccc21 ZINC000044900899 527003024 /nfs/dbraw/zinc/00/30/24/527003024.db2.gz DSFVRKSLULLPCO-UHFFFAOYSA-N 1 2 410.495 3.359 50 0 HGAALO Cn1ncc2c1nc(NCCc1ccccc1)[nH+]c2N1CCN(c2ccccc2)CC1 ZINC000032095241 527584243 /nfs/dbraw/zinc/58/42/43/527584243.db2.gz INTUBVZEPRNNKU-UHFFFAOYSA-N 1 2 413.529 3.345 50 0 HGAALO CCn1c(C)cc(O)c([C@@H](c2ccncc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697517 557784182 /nfs/dbraw/zinc/78/41/82/557784182.db2.gz QKAMKGUZRYQZEF-HSZRJFAPSA-N 1 2 422.504 3.328 50 0 HGAALO CCn1c(C)cc(O)c([C@H](c2ccncc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697514 557784252 /nfs/dbraw/zinc/78/42/52/557784252.db2.gz QKAMKGUZRYQZEF-QHCPKHFHSA-N 1 2 422.504 3.328 50 0 HGAALO CCCC(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2F)CC1 ZINC000022851548 557839347 /nfs/dbraw/zinc/83/93/47/557839347.db2.gz XWZHBWSFLGYGGD-HXUWFJFHSA-N 1 2 413.493 3.334 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[NH+]1CCC(C(=O)OC)CC1)S2 ZINC000022853635 557840152 /nfs/dbraw/zinc/84/01/52/557840152.db2.gz VDDIYJCDPZAMPZ-QGZVFWFLSA-N 1 2 414.531 3.342 50 0 HGAALO Cc1nn(C)cc1C[N@@H+](C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000011663994 558267579 /nfs/dbraw/zinc/26/75/79/558267579.db2.gz ZHKFHBPIDOGDMG-UHFFFAOYSA-N 1 2 416.529 3.280 50 0 HGAALO Cc1nn(C)cc1C[N@H+](C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000011663994 558267581 /nfs/dbraw/zinc/26/75/81/558267581.db2.gz ZHKFHBPIDOGDMG-UHFFFAOYSA-N 1 2 416.529 3.280 50 0 HGAALO CSc1ccc(-c2nc(CN3CC[NH+](CC(=O)NC(C)C)CC3)c(C)o2)cc1 ZINC000019758354 558275075 /nfs/dbraw/zinc/27/50/75/558275075.db2.gz PQKSYFNFKWQWBK-UHFFFAOYSA-N 1 2 402.564 3.014 50 0 HGAALO CCOC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000019809432 558286419 /nfs/dbraw/zinc/28/64/19/558286419.db2.gz TVNNZYVGXKYICJ-NRFANRHFSA-N 1 2 422.456 3.424 50 0 aggregator HGAALO CCOC(=O)c1ccc(N2C(=O)C[C@H]([N@@H+]3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000019809432 558286421 /nfs/dbraw/zinc/28/64/21/558286421.db2.gz TVNNZYVGXKYICJ-NRFANRHFSA-N 1 2 422.456 3.424 50 0 aggregator HGAALO C[NH+]1CCN(C(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1 ZINC000019860622 558297604 /nfs/dbraw/zinc/29/76/04/558297604.db2.gz AWNJWSNMLGEZCH-UHFFFAOYSA-N 1 2 414.428 3.168 50 0 HGAALO Cc1ccc2nc(NC(=O)CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)sc2c1 ZINC000019921536 558307069 /nfs/dbraw/zinc/30/70/69/558307069.db2.gz DXKFZGVSCPRTBY-UHFFFAOYSA-N 1 2 424.526 3.090 50 0 HGAALO O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1CCC[NH+]1CCOCC1 ZINC000020219624 558348547 /nfs/dbraw/zinc/34/85/47/558348547.db2.gz CYDYYGALNNNRAW-NRFANRHFSA-N 1 2 422.456 3.200 50 0 HGAALO O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCC[NH+]1CCOCC1 ZINC000020219644 558348595 /nfs/dbraw/zinc/34/85/95/558348595.db2.gz VHFXXZCXQLECSF-NRFANRHFSA-N 1 2 404.466 3.061 50 0 HGAALO COc1c(C)c[nH+]c(Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)c1C ZINC000020353579 558356875 /nfs/dbraw/zinc/35/68/75/558356875.db2.gz QGVCLNVQDWYYKV-UHFFFAOYSA-N 1 2 416.481 3.233 50 0 HGAALO CCn1ccnc1C[NH+]1CCC(Oc2ccc(C(=O)NCc3ccncc3)cc2)CC1 ZINC000012306752 558375681 /nfs/dbraw/zinc/37/56/81/558375681.db2.gz GSQITKBHVQXVOH-UHFFFAOYSA-N 1 2 419.529 3.271 50 0 HGAALO CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000020621758 558394140 /nfs/dbraw/zinc/39/41/40/558394140.db2.gz YPELFRMCRYSPKZ-INIZCTEOSA-N 1 2 421.900 3.091 50 0 investigational HGAALO CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000020621758 558394142 /nfs/dbraw/zinc/39/41/42/558394142.db2.gz YPELFRMCRYSPKZ-INIZCTEOSA-N 1 2 421.900 3.091 50 0 investigational HGAALO CCCCc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)[nH]1 ZINC000012447555 558414886 /nfs/dbraw/zinc/41/48/86/558414886.db2.gz ZLQQBEVLPWPDDU-SFHVURJKSA-N 1 2 414.550 3.168 50 0 HGAALO CCCCc1ncc(C[N@H+]2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)[nH]1 ZINC000012447555 558414889 /nfs/dbraw/zinc/41/48/89/558414889.db2.gz ZLQQBEVLPWPDDU-SFHVURJKSA-N 1 2 414.550 3.168 50 0 HGAALO CC(C)[NH+]1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC1 ZINC000020917942 558423154 /nfs/dbraw/zinc/42/31/54/558423154.db2.gz VAXXZNSKCJAGBY-UHFFFAOYSA-N 1 2 422.639 3.173 50 0 HGAALO C[C@@H]1CN(C(=O)CSc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000004341723 558425405 /nfs/dbraw/zinc/42/54/05/558425405.db2.gz SZMLTMRGNYUFCB-CHWSQXEVSA-N 1 2 417.922 3.197 50 0 HGAALO O=C(COc1ccc2ccccc2c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000021959846 558456732 /nfs/dbraw/zinc/45/67/32/558456732.db2.gz RWDIUALZDRMYHU-UHFFFAOYSA-N 1 2 402.494 3.498 50 0 HGAALO COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000022699068 558505239 /nfs/dbraw/zinc/50/52/39/558505239.db2.gz MWBYUYLBOVEAGD-UHFFFAOYSA-N 1 2 410.470 3.179 50 0 HGAALO CC[C@H](NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(C)cc1 ZINC000022773036 558509093 /nfs/dbraw/zinc/50/90/93/558509093.db2.gz RRHOSJSTYMENRT-NRFANRHFSA-N 1 2 409.530 3.109 50 0 HGAALO Cc1ccc(C)c(S(=O)(=O)N2CCN(Cn3c[nH+]c4cc(C)c(C)cc43)CC2)c1 ZINC000013058900 558509380 /nfs/dbraw/zinc/50/93/80/558509380.db2.gz ZNOARHNORSPCAM-UHFFFAOYSA-N 1 2 412.559 3.234 50 0 HGAALO CCN(C(=O)C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1)C1CCCCC1 ZINC000022789619 558511945 /nfs/dbraw/zinc/51/19/45/558511945.db2.gz KOVNGYIHRSOITM-UHFFFAOYSA-N 1 2 420.985 3.077 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]3CCC[N@H+]23)cc1 ZINC000013554915 558540159 /nfs/dbraw/zinc/54/01/59/558540159.db2.gz CEAHITVAIUOWIK-NMLBUPMWSA-N 1 2 408.885 3.484 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]3CCC[N@@H+]23)cc1 ZINC000013554915 558540160 /nfs/dbraw/zinc/54/01/60/558540160.db2.gz CEAHITVAIUOWIK-NMLBUPMWSA-N 1 2 408.885 3.484 50 0 HGAALO c1[nH]n(Cc2ccccc2)c2nc(-c3ccccc3OCC[NH+]3CCOCC3)nc1-2 ZINC000023581607 558562883 /nfs/dbraw/zinc/56/28/83/558562883.db2.gz WMETXWBOGZVWJY-UHFFFAOYSA-N 1 2 403.486 3.186 50 0 HGAALO O=C(CSc1ccc2ccccc2n1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000023596435 558563335 /nfs/dbraw/zinc/56/33/35/558563335.db2.gz SGAYSZPVSJVBLL-HXUWFJFHSA-N 1 2 407.539 3.344 50 0 HGAALO O=C(CSc1ccc2ccccc2n1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000023596435 558563336 /nfs/dbraw/zinc/56/33/36/558563336.db2.gz SGAYSZPVSJVBLL-HXUWFJFHSA-N 1 2 407.539 3.344 50 0 HGAALO COc1cc2nc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)[nH]c(=O)c2cc1OC ZINC000023845228 558577688 /nfs/dbraw/zinc/57/76/88/558577688.db2.gz OWMATPVQCFFKAI-QGZVFWFLSA-N 1 2 423.469 3.049 50 0 HGAALO COc1cc2nc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)[nH]c(=O)c2cc1OC ZINC000023845228 558577690 /nfs/dbraw/zinc/57/76/90/558577690.db2.gz OWMATPVQCFFKAI-QGZVFWFLSA-N 1 2 423.469 3.049 50 0 HGAALO Cc1cc(C(=O)CCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C)s1 ZINC000023956483 558582532 /nfs/dbraw/zinc/58/25/32/558582532.db2.gz FTFGSNQMSSLSNG-UHFFFAOYSA-N 1 2 400.544 3.476 50 0 HGAALO O=C(c1cc(F)ccc1Br)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024137248 558590407 /nfs/dbraw/zinc/59/04/07/558590407.db2.gz CLDHUJZGOKUYBA-UHFFFAOYSA-N 1 2 419.294 3.481 50 0 HGAALO O=C(c1cc(-c2ccco2)on1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000024528448 558600258 /nfs/dbraw/zinc/60/02/58/558600258.db2.gz QFEUTGIBJSLRRH-UHFFFAOYSA-N 1 2 401.850 3.425 50 0 HGAALO Cc1c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000024752433 558610215 /nfs/dbraw/zinc/61/02/15/558610215.db2.gz FVCVQJSVZCDMLK-UHFFFAOYSA-N 1 2 401.551 3.243 50 0 HGAALO COc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4cc(Cl)ccc4C)CC3)C2=O)cc1 ZINC000025286415 558636787 /nfs/dbraw/zinc/63/67/87/558636787.db2.gz HWXXLJMBWUMTMO-FQEVSTJZSA-N 1 2 413.905 3.111 50 0 HGAALO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](Cc3ccc(O)c4ncccc34)CC2)c1 ZINC000025286197 558636855 /nfs/dbraw/zinc/63/68/55/558636855.db2.gz OKYRYCAREFYSDD-UHFFFAOYSA-N 1 2 411.527 3.064 50 0 HGAALO O=C(c1ccco1)N1CC[NH+](C[C@@H](O)COc2ccc3oc4ccccc4c3c2)CC1 ZINC000025330103 558638394 /nfs/dbraw/zinc/63/83/94/558638394.db2.gz MEAPPSPXOTTZOF-QGZVFWFLSA-N 1 2 420.465 3.377 50 0 HGAALO CSc1ccc(N2C[C@@H](C(=O)N3CC[NH+](Cc4cccs4)CC3)CC2=O)cc1 ZINC000025462852 558641742 /nfs/dbraw/zinc/64/17/42/558641742.db2.gz SQQWQRYGXZIZMN-INIZCTEOSA-N 1 2 415.584 3.167 50 0 HGAALO O=C(CC[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000014977855 558690011 /nfs/dbraw/zinc/69/00/11/558690011.db2.gz LFIIONSUMQQDCH-LJQANCHMSA-N 1 2 424.520 3.202 50 0 HGAALO O=C(CC1CCCCC1)N1CCC2(C[C@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000014991135 558694579 /nfs/dbraw/zinc/69/45/79/558694579.db2.gz HCLQWLVKVLRADW-NRFANRHFSA-N 1 2 424.589 3.329 50 0 HGAALO Cn1cc[nH+]c1[C@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccccc1 ZINC000029070206 558709324 /nfs/dbraw/zinc/70/93/24/558709324.db2.gz LNUHTRGUDRBSGE-MRXNPFEDSA-N 1 2 424.810 3.160 50 0 HGAALO COc1ccc([C@H](NC(=O)COCc2nc3ccccc3s2)c2[nH+]ccn2C)cc1 ZINC000029132804 558710433 /nfs/dbraw/zinc/71/04/33/558710433.db2.gz GXENZOXKBHTHAM-NRFANRHFSA-N 1 2 422.510 3.461 50 0 HGAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1C(=O)c1cccs1 ZINC000029980912 558725420 /nfs/dbraw/zinc/72/54/20/558725420.db2.gz RZPYNVXMQKYSDN-UHFFFAOYSA-N 1 2 407.495 3.141 50 0 HGAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(I)cc1 ZINC000015686329 558748967 /nfs/dbraw/zinc/74/89/67/558748967.db2.gz LAUKHYFORWBPCQ-AWEZNQCLSA-N 1 2 408.239 3.389 50 0 HGAALO COCCN1C[NH+]=C2N[C@@H](c3cc(Cl)ccc3F)n3c4ccccc4nc3N2C1 ZINC000031810496 558752711 /nfs/dbraw/zinc/75/27/11/558752711.db2.gz LVUMJAABAVPMEI-GOSISDBHSA-N 1 2 414.872 3.018 50 0 HGAALO Cc1ccc(CNC(=O)COc2coc(C[N@@H+]3CCc4ccccc4C3)cc2=O)cc1 ZINC000004583894 558774376 /nfs/dbraw/zinc/77/43/76/558774376.db2.gz DFRLTGKXDKZXPN-UHFFFAOYSA-N 1 2 418.493 3.202 50 0 HGAALO Cc1ccc(CNC(=O)COc2coc(C[N@H+]3CCc4ccccc4C3)cc2=O)cc1 ZINC000004583894 558774379 /nfs/dbraw/zinc/77/43/79/558774379.db2.gz DFRLTGKXDKZXPN-UHFFFAOYSA-N 1 2 418.493 3.202 50 0 HGAALO CCOC(=O)CSc1nc2sc3c(c2c(N)n1)CC[N@@H+](Cc1ccccc1)C3 ZINC000022034167 558779034 /nfs/dbraw/zinc/77/90/34/558779034.db2.gz CHFJNJRUOPSOJW-UHFFFAOYSA-N 1 2 414.556 3.487 50 0 HGAALO CCOC(=O)CSc1nc2sc3c(c2c(N)n1)CC[N@H+](Cc1ccccc1)C3 ZINC000022034167 558779037 /nfs/dbraw/zinc/77/90/37/558779037.db2.gz CHFJNJRUOPSOJW-UHFFFAOYSA-N 1 2 414.556 3.487 50 0 HGAALO Cc1cc(C)c(NC(=O)CNC(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)c1 ZINC000016484510 558794112 /nfs/dbraw/zinc/79/41/12/558794112.db2.gz SUSAIXLTLUFAAH-UHFFFAOYSA-N 1 2 422.573 3.106 50 0 HGAALO Cc1c(C[N@@H+]2CC(=O)N(c3ccccc3C)[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000039388507 558820904 /nfs/dbraw/zinc/82/09/04/558820904.db2.gz NMQOCEVGGRBKKJ-SFHVURJKSA-N 1 2 404.514 3.030 50 0 HGAALO Cc1c(C[N@H+]2CC(=O)N(c3ccccc3C)[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000039388507 558820905 /nfs/dbraw/zinc/82/09/05/558820905.db2.gz NMQOCEVGGRBKKJ-SFHVURJKSA-N 1 2 404.514 3.030 50 0 HGAALO COc1cccc2c1OCC(C[N@@H+]1CCN(Cc3ccsc3)[C@H](CCO)C1)=C2 ZINC000039445859 558821364 /nfs/dbraw/zinc/82/13/64/558821364.db2.gz KBZOBWVKCUSVEX-HXUWFJFHSA-N 1 2 400.544 3.101 50 0 HGAALO COc1cccc2c1OCC(C[N@H+]1CCN(Cc3ccsc3)[C@H](CCO)C1)=C2 ZINC000039445859 558821366 /nfs/dbraw/zinc/82/13/66/558821366.db2.gz KBZOBWVKCUSVEX-HXUWFJFHSA-N 1 2 400.544 3.101 50 0 HGAALO Cc1ccc(-n2cc(CN3CC[N@H+](Cc4ccccc4F)[C@H](CCO)C3)cn2)cc1 ZINC000039537855 558822302 /nfs/dbraw/zinc/82/23/02/558822302.db2.gz TXZMTSIVICKOJA-HSZRJFAPSA-N 1 2 408.521 3.389 50 0 HGAALO Cc1ccc(-n2cc(CN3CC[N@@H+](Cc4ccccc4F)[C@H](CCO)C3)cn2)cc1 ZINC000039537855 558822303 /nfs/dbraw/zinc/82/23/03/558822303.db2.gz TXZMTSIVICKOJA-HSZRJFAPSA-N 1 2 408.521 3.389 50 0 HGAALO Cc1ccc(-n2cc(C[N@@H+]3CCN(Cc4ccccc4F)[C@H](CCO)C3)cn2)cc1 ZINC000039537855 558822304 /nfs/dbraw/zinc/82/23/04/558822304.db2.gz TXZMTSIVICKOJA-HSZRJFAPSA-N 1 2 408.521 3.389 50 0 HGAALO Cc1ccc(-n2cc(C[N@H+]3CCN(Cc4ccccc4F)[C@H](CCO)C3)cn2)cc1 ZINC000039537855 558822305 /nfs/dbraw/zinc/82/23/05/558822305.db2.gz TXZMTSIVICKOJA-HSZRJFAPSA-N 1 2 408.521 3.389 50 0 HGAALO Cc1nc(-n2nc(C)c(Cc3ccccc3)c2C)sc1C(=O)N1CC[NH+](C)CC1 ZINC000033000021 558826482 /nfs/dbraw/zinc/82/64/82/558826482.db2.gz SUWOFHAZRDLNRH-UHFFFAOYSA-N 1 2 409.559 3.232 50 0 HGAALO O=C1C[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C(=O)N1c1cccc2ccccc21 ZINC000018142707 558831981 /nfs/dbraw/zinc/83/19/81/558831981.db2.gz UQZFLGUCNIKTIT-JOCHJYFZSA-N 1 2 403.457 3.433 50 0 HGAALO CCOCCCNC(=O)[C@H]1CCCN(c2[nH]c3ccc(Br)cc3[nH+]2)C1 ZINC000033071309 558866560 /nfs/dbraw/zinc/86/65/60/558866560.db2.gz VHTOTHPBCPWNAS-ZDUSSCGKSA-N 1 2 409.328 3.085 50 0 HGAALO COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)c1 ZINC000033072185 558866732 /nfs/dbraw/zinc/86/67/32/558866732.db2.gz OOFQTPQUDFHEIQ-INIZCTEOSA-N 1 2 408.502 3.421 50 0 HGAALO COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)c1 ZINC000033072185 558866735 /nfs/dbraw/zinc/86/67/35/558866735.db2.gz OOFQTPQUDFHEIQ-INIZCTEOSA-N 1 2 408.502 3.421 50 0 HGAALO C[N@H+](Cc1c(C(=O)N2CCCC2)nc2sccn12)Cc1ccc2nsnc2c1 ZINC000055211909 558876242 /nfs/dbraw/zinc/87/62/42/558876242.db2.gz HFLHXISVJXALAX-UHFFFAOYSA-N 1 2 412.544 3.269 50 0 HGAALO C[N@@H+](Cc1c(C(=O)N2CCCC2)nc2sccn12)Cc1ccc2nsnc2c1 ZINC000055211909 558876245 /nfs/dbraw/zinc/87/62/45/558876245.db2.gz HFLHXISVJXALAX-UHFFFAOYSA-N 1 2 412.544 3.269 50 0 HGAALO O=C(NCc1ccc(N2CCCC[C@H]2CCO)[nH+]c1)c1cc(-c2ccccc2)n[nH]1 ZINC000058061851 558897302 /nfs/dbraw/zinc/89/73/02/558897302.db2.gz RJYILECLYCLWDN-IBGZPJMESA-N 1 2 405.502 3.143 50 0 HGAALO O=C(c1nc2ccc(Cl)cn2c1C[N@H+]1CC=C[C@H]1CO)N1CCCCCCC1 ZINC000071661964 558906483 /nfs/dbraw/zinc/90/64/83/558906483.db2.gz OGPPTTOFBRQHQK-KRWDZBQOSA-N 1 2 402.926 3.127 50 0 HGAALO O=C(c1nc2ccc(Cl)cn2c1C[N@@H+]1CC=C[C@H]1CO)N1CCCCCCC1 ZINC000071661964 558906487 /nfs/dbraw/zinc/90/64/87/558906487.db2.gz OGPPTTOFBRQHQK-KRWDZBQOSA-N 1 2 402.926 3.127 50 0 HGAALO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000058169705 558907851 /nfs/dbraw/zinc/90/78/51/558907851.db2.gz MQGMAMITYMZION-WOJBJXKFSA-N 1 2 421.497 3.105 50 0 HGAALO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000058169705 558907855 /nfs/dbraw/zinc/90/78/55/558907855.db2.gz MQGMAMITYMZION-WOJBJXKFSA-N 1 2 421.497 3.105 50 0 HGAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)ncn2)c1C ZINC000072117237 558927252 /nfs/dbraw/zinc/92/72/52/558927252.db2.gz UXSYBVASVDUCBS-UHFFFAOYSA-N 1 2 411.897 3.287 50 0 HGAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)Nc4ccc(C)c(F)c4)CC3)ncn2)c1C ZINC000072441771 558982058 /nfs/dbraw/zinc/98/20/58/558982058.db2.gz KXFVLMCWTVSWOR-UHFFFAOYSA-N 1 2 409.469 3.081 50 0 HGAALO CC[C@H]1C=CCN1C(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000067757051 558992469 /nfs/dbraw/zinc/99/24/69/558992469.db2.gz KOCOUVQVLNFDAO-ISPXXFMDSA-N 1 2 406.530 3.296 50 0 HGAALO C[NH+]1CCN(c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)s2)CC1 ZINC000023139761 559020113 /nfs/dbraw/zinc/02/01/13/559020113.db2.gz IMECWRIDOAKNFW-UHFFFAOYSA-N 1 2 418.375 3.328 50 0 HGAALO COc1cc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCCCC2)cc(OC)c1OC ZINC000023157947 559022518 /nfs/dbraw/zinc/02/25/18/559022518.db2.gz GTABXKFJRZSEAR-INIZCTEOSA-N 1 2 418.519 3.406 50 0 HGAALO CCc1ccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCCC2)cc1 ZINC000033312830 559054910 /nfs/dbraw/zinc/05/49/10/559054910.db2.gz IDIINHHTGUYIDL-VWLOTQADSA-N 1 2 419.569 3.477 50 0 HGAALO CCc1ccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCCC2)cc1 ZINC000033312830 559054911 /nfs/dbraw/zinc/05/49/11/559054911.db2.gz IDIINHHTGUYIDL-VWLOTQADSA-N 1 2 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Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000018081747 560774919 /nfs/dbraw/zinc/77/49/19/560774919.db2.gz HEDXILNNLBCFKU-IYBDPMFKSA-N 1 2 411.531 3.160 50 0 HGAALO CC(C)[C@@H](CNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C)[NH+]1CCOCC1 ZINC000107497384 560896503 /nfs/dbraw/zinc/89/65/03/560896503.db2.gz MMXKIBYJWWPKCD-PGRDOPGGSA-N 1 2 411.546 3.317 50 0 HGAALO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907273 568415787 /nfs/dbraw/zinc/41/57/87/568415787.db2.gz NKJABBHHRCMOQJ-QFIPXVFZSA-N 1 2 417.509 3.120 50 0 HGAALO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907273 568415788 /nfs/dbraw/zinc/41/57/88/568415788.db2.gz NKJABBHHRCMOQJ-QFIPXVFZSA-N 1 2 417.509 3.120 50 0 HGAALO O=C(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000022907444 568415864 /nfs/dbraw/zinc/41/58/64/568415864.db2.gz ZULJTSLWBBEOTM-FQEVSTJZSA-N 1 2 407.445 3.273 50 0 HGAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 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MJTDKIRJLFOCNE-NRFANRHFSA-N 1 2 409.534 3.094 50 0 HGAALO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(N2CCCCC2)nc1 ZINC000048231355 568433449 /nfs/dbraw/zinc/43/34/49/568433449.db2.gz MJTDKIRJLFOCNE-NRFANRHFSA-N 1 2 409.534 3.094 50 0 HGAALO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048262941 568433745 /nfs/dbraw/zinc/43/37/45/568433745.db2.gz DLTLDXBZWGEBHH-SFHVURJKSA-N 1 2 402.539 3.478 50 0 HGAALO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000048265008 568433961 /nfs/dbraw/zinc/43/39/61/568433961.db2.gz YOAQGXRLCQNWEG-GOSISDBHSA-N 1 2 421.567 3.148 50 0 HGAALO O=C(NCc1ccc(N2CCCC[C@@H]2CCO)[nH+]c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000048332859 568439354 /nfs/dbraw/zinc/43/93/54/568439354.db2.gz QWJFNGSSRREDCM-LJQANCHMSA-N 1 2 423.492 3.282 50 0 HGAALO Cc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000005318738 568443190 /nfs/dbraw/zinc/44/31/90/568443190.db2.gz AQPJIRFFOASZIM-CJLVFECKSA-N 1 2 402.498 3.477 50 0 HGAALO CC(=O)Nc1ccc(NC(=O)c2cn(-c3cc(N4CCC(C)CC4)[nH+]cn3)cn2)cc1 ZINC000049411238 568450058 /nfs/dbraw/zinc/45/00/58/568450058.db2.gz CXAVVWBTRQAXQJ-UHFFFAOYSA-N 1 2 419.489 3.109 50 0 HGAALO COC(=O)C[C@H](c1cccc(Cl)c1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604419405 568493245 /nfs/dbraw/zinc/49/32/45/568493245.db2.gz LUNCVIQUTVUTPH-QGZVFWFLSA-N 1 2 415.877 3.177 50 0 HGAALO COC(=O)C[C@H](c1cccc(Cl)c1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604419405 568493246 /nfs/dbraw/zinc/49/32/46/568493246.db2.gz LUNCVIQUTVUTPH-QGZVFWFLSA-N 1 2 415.877 3.177 50 0 HGAALO Cc1ccccc1CNC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C(=O)N1CCC(C)CC1 ZINC000033312867 568513758 /nfs/dbraw/zinc/51/37/58/568513758.db2.gz IABOBHGVFKUHPG-RUZDIDTESA-N 1 2 419.569 3.469 50 0 HGAALO Cc1ccccc1CNC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)N1CCC(C)CC1 ZINC000033312867 568513759 /nfs/dbraw/zinc/51/37/59/568513759.db2.gz IABOBHGVFKUHPG-RUZDIDTESA-N 1 2 419.569 3.469 50 0 HGAALO O=C(CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2)NCc1ccccc1 ZINC000020467745 568610499 /nfs/dbraw/zinc/61/04/99/568610499.db2.gz DBBOXVSEWNJNGM-UHFFFAOYSA-N 1 2 420.538 3.149 50 0 HGAALO O=C(CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2)NCc1ccccc1 ZINC000020467745 568610503 /nfs/dbraw/zinc/61/05/03/568610503.db2.gz DBBOXVSEWNJNGM-UHFFFAOYSA-N 1 2 420.538 3.149 50 0 HGAALO O=C(CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2)Nc1ccccc1 ZINC000020467729 568610633 /nfs/dbraw/zinc/61/06/33/568610633.db2.gz LQOCPNPNNLWDDN-UHFFFAOYSA-N 1 2 406.511 3.471 50 0 HGAALO O=C(CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2)Nc1ccccc1 ZINC000020467729 568610634 /nfs/dbraw/zinc/61/06/34/568610634.db2.gz LQOCPNPNNLWDDN-UHFFFAOYSA-N 1 2 406.511 3.471 50 0 HGAALO CC(C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000040152317 568625384 /nfs/dbraw/zinc/62/53/84/568625384.db2.gz TVZFXQKMZXGFHQ-UHFFFAOYSA-N 1 2 410.518 3.435 50 0 HGAALO CCC[NH+]1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000020977702 568654047 /nfs/dbraw/zinc/65/40/47/568654047.db2.gz 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CO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006544 568682942 /nfs/dbraw/zinc/68/29/42/568682942.db2.gz NKDNGLRTAMQACO-IRXDYDNUSA-N 1 2 411.930 3.283 50 0 HGAALO Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2-n2cccc2)cc1 ZINC000021529735 568710038 /nfs/dbraw/zinc/71/00/38/568710038.db2.gz BTXVNYYDENFGMB-UHFFFAOYSA-N 1 2 412.497 3.329 50 0 HGAALO COc1ccc(C(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2C)cc1 ZINC000000892175 568741295 /nfs/dbraw/zinc/74/12/95/568741295.db2.gz BALXPZILJZYMPJ-UHFFFAOYSA-N 1 2 407.499 3.460 50 0 HGAALO Cc1cc(N2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000015032305 568747023 /nfs/dbraw/zinc/74/70/23/568747023.db2.gz VOZCMGSDPRWZIR-UHFFFAOYSA-N 1 2 405.905 3.462 50 0 HGAALO CCOC(=O)C1CC[NH+]([C@H](c2ccc(C)cc2)C2Sc3ncnn3C2=O)CC1 ZINC000022609239 568771759 /nfs/dbraw/zinc/77/17/59/568771759.db2.gz NBSNAAIPIWRFCU-MRXNPFEDSA-N 1 2 400.504 3.169 50 0 HGAALO C[C@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057061388 568824047 /nfs/dbraw/zinc/82/40/47/568824047.db2.gz BRKFTLGDLPCSIV-QGZVFWFLSA-N 1 2 406.505 3.402 50 0 HGAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006017588 568835428 /nfs/dbraw/zinc/83/54/28/568835428.db2.gz ULZJPSBVVDOVOW-UHFFFAOYSA-N 1 2 412.515 3.158 50 0 HGAALO CCCCn1c2nc(C[N@@H+]3C[C@@H]4CCCC[C@]43c3ccccc3)n(C)c2c(=O)[nH]c1=O ZINC000230111433 568846868 /nfs/dbraw/zinc/84/68/68/568846868.db2.gz KSGBSVWXXJAPHS-UUOWRZLLSA-N 1 2 421.545 3.125 50 0 HGAALO CCCCn1c2nc(C[N@H+]3C[C@@H]4CCCC[C@]43c3ccccc3)n(C)c2c(=O)[nH]c1=O ZINC000230111433 568846870 /nfs/dbraw/zinc/84/68/70/568846870.db2.gz KSGBSVWXXJAPHS-UUOWRZLLSA-N 1 2 421.545 3.125 50 0 HGAALO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000057830276 568861987 /nfs/dbraw/zinc/86/19/87/568861987.db2.gz NQHQAOKDBHOILT-JOCHJYFZSA-N 1 2 409.530 3.190 50 0 HGAALO C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)NCC[NH+]2CCOCC2)[C@@H]1C ZINC000012587854 568867623 /nfs/dbraw/zinc/86/76/23/568867623.db2.gz 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COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000012822369 569006464 /nfs/dbraw/zinc/00/64/64/569006464.db2.gz DVGVPPBNQQHNIF-UHFFFAOYSA-N 1 2 407.942 3.402 50 0 HGAALO C[NH+]1CCN(C(=S)SCC(=O)Nc2nc3ccc(Cl)cc3s2)CC1 ZINC000043214977 569012963 /nfs/dbraw/zinc/01/29/63/569012963.db2.gz GPCJKMVYLHPNJC-UHFFFAOYSA-N 1 2 400.982 3.154 50 0 HGAALO Cc1cc(C)c2c(=O)cc(C[NH+]3CCN(C(=O)COc4ccc(F)cc4)CC3)[nH]c2c1 ZINC000015865382 569016555 /nfs/dbraw/zinc/01/65/55/569016555.db2.gz FVRVPASLKAPPQG-UHFFFAOYSA-N 1 2 423.488 3.007 50 0 HGAALO O=C(NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 ZINC000015882588 569019101 /nfs/dbraw/zinc/01/91/01/569019101.db2.gz KCQGRJZDTRBILM-QFIPXVFZSA-N 1 2 418.472 3.075 50 0 HGAALO O=C(NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 ZINC000015882588 569019102 /nfs/dbraw/zinc/01/91/02/569019102.db2.gz KCQGRJZDTRBILM-QFIPXVFZSA-N 1 2 418.472 3.075 50 0 HGAALO CC[C@@H](C(=O)Nc1ccccc1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012888055 569019741 /nfs/dbraw/zinc/01/97/41/569019741.db2.gz QTKSBTXSEFWZJH-LPHOPBHVSA-N 1 2 408.502 3.099 50 0 HGAALO CC[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012888055 569019742 /nfs/dbraw/zinc/01/97/42/569019742.db2.gz QTKSBTXSEFWZJH-LPHOPBHVSA-N 1 2 408.502 3.099 50 0 HGAALO O=C(COc1ccc2ccc(=O)oc2c1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012932582 569025058 /nfs/dbraw/zinc/02/50/58/569025058.db2.gz LVNCFPAQOSSFQE-UHFFFAOYSA-N 1 2 412.873 3.170 50 0 HGAALO O=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000026174383 569025574 /nfs/dbraw/zinc/02/55/74/569025574.db2.gz SMYALUSCZJXWHG-UHFFFAOYSA-N 1 2 411.502 3.419 50 0 in-man HGAALO O=C([C@H](c1ccccc1)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCCC1 ZINC000053517363 569031232 /nfs/dbraw/zinc/03/12/32/569031232.db2.gz IBUWFKCJYTZUJT-QFIPXVFZSA-N 1 2 404.514 3.330 50 0 HGAALO O=C(/C=C/c1ccccc1)NCCn1ncc2c1nc[nH+]c2NCCc1ccccc1 ZINC000035590581 569045461 /nfs/dbraw/zinc/04/54/61/569045461.db2.gz 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408.502 3.099 50 0 HGAALO CC[C@H](C(=O)Nc1ccccc1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000241720929 569054825 /nfs/dbraw/zinc/05/48/25/569054825.db2.gz QTKSBTXSEFWZJH-VQIMIIECSA-N 1 2 408.502 3.099 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000245326071 569055846 /nfs/dbraw/zinc/05/58/46/569055846.db2.gz IWNOZIKSIZMADR-MBDNFAEBSA-N 1 2 402.494 3.447 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000245326071 569055847 /nfs/dbraw/zinc/05/58/47/569055847.db2.gz IWNOZIKSIZMADR-MBDNFAEBSA-N 1 2 402.494 3.447 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035876926 569064321 /nfs/dbraw/zinc/06/43/21/569064321.db2.gz TVDYMEYMPBZKCE-MKXGPGLRSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035876926 569064322 /nfs/dbraw/zinc/06/43/22/569064322.db2.gz 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O=C(Nc1ccc(C2(C(=O)N3CCN(c4cccc[nH+]4)CC3)CCC2)cc1)C1CC1 ZINC000065029590 569156956 /nfs/dbraw/zinc/15/69/56/569156956.db2.gz QVTIDKLIJMXLIX-UHFFFAOYSA-N 1 2 404.514 3.201 50 0 HGAALO C[C@@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)N1CC[NH+](C)CC1 ZINC000007001569 569198791 /nfs/dbraw/zinc/19/87/91/569198791.db2.gz ABSSTRDCHKJJRS-MRXNPFEDSA-N 1 2 407.470 3.226 50 0 HGAALO Cc1ccc(Nc2cc(N3CCC(C(=O)NCc4cccnc4)CC3)nc[nH+]2)cc1 ZINC000065237255 569202930 /nfs/dbraw/zinc/20/29/30/569202930.db2.gz DVKRCUCVDYDSJM-UHFFFAOYSA-N 1 2 402.502 3.456 50 0 HGAALO COc1ccccc1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000065245155 569204828 /nfs/dbraw/zinc/20/48/28/569204828.db2.gz STXCEUVTPJJWAC-QGZVFWFLSA-N 1 2 409.534 3.373 50 0 HGAALO COc1ccccc1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000065245155 569204829 /nfs/dbraw/zinc/20/48/29/569204829.db2.gz STXCEUVTPJJWAC-QGZVFWFLSA-N 1 2 409.534 3.373 50 0 HGAALO CN(CCc1ccccn1)C(=O)CCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000065274310 569215096 /nfs/dbraw/zinc/21/50/96/569215096.db2.gz DVASBLLREZCDQB-UHFFFAOYSA-N 1 2 408.550 3.144 50 0 HGAALO CN(CCc1ccccn1)C(=O)CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000065274310 569215097 /nfs/dbraw/zinc/21/50/97/569215097.db2.gz DVASBLLREZCDQB-UHFFFAOYSA-N 1 2 408.550 3.144 50 0 HGAALO COc1ccc(C)cc1S(=O)(=O)NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700392 569222864 /nfs/dbraw/zinc/22/28/64/569222864.db2.gz RXEABGHFTSDILF-NRFANRHFSA-N 1 2 418.559 3.136 50 0 HGAALO COc1ccc(C)cc1S(=O)(=O)NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700392 569222865 /nfs/dbraw/zinc/22/28/65/569222865.db2.gz RXEABGHFTSDILF-NRFANRHFSA-N 1 2 418.559 3.136 50 0 HGAALO COc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(C)c1 ZINC000036700434 569222867 /nfs/dbraw/zinc/22/28/67/569222867.db2.gz JFELLGBWZUCCKF-OAQYLSRUSA-N 1 2 418.559 3.136 50 0 HGAALO COc1ccc(S(=O)(=O)NCCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)c(C)c1 ZINC000036700434 569222868 /nfs/dbraw/zinc/22/28/68/569222868.db2.gz JFELLGBWZUCCKF-OAQYLSRUSA-N 1 2 418.559 3.136 50 0 HGAALO COc1cc(C[N@H+](C)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)ccc1OC(F)F ZINC000037200204 569240150 /nfs/dbraw/zinc/24/01/50/569240150.db2.gz GWGJUOPCWDUCRJ-ZUOKHONESA-N 1 2 411.449 3.187 50 0 HGAALO COc1cc(C[N@@H+](C)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)ccc1OC(F)F ZINC000037200204 569240151 /nfs/dbraw/zinc/24/01/51/569240151.db2.gz GWGJUOPCWDUCRJ-ZUOKHONESA-N 1 2 411.449 3.187 50 0 HGAALO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@H+](C)Cc1ccco1 ZINC000007487939 569240903 /nfs/dbraw/zinc/24/09/03/569240903.db2.gz IINOAFNNEMCZII-UHFFFAOYSA-N 1 2 416.547 3.456 50 0 HGAALO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@@H+](C)Cc1ccco1 ZINC000007487939 569240904 /nfs/dbraw/zinc/24/09/04/569240904.db2.gz IINOAFNNEMCZII-UHFFFAOYSA-N 1 2 416.547 3.456 50 0 HGAALO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)COc2cccc(C(C)C)c2)CC1 ZINC000170602426 569243798 /nfs/dbraw/zinc/24/37/98/569243798.db2.gz XSLQQBMVGJRAHM-UHFFFAOYSA-N 1 2 409.530 3.492 50 0 HGAALO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc2c(c1)nc(C)n2CCO ZINC000253404606 569365835 /nfs/dbraw/zinc/36/58/35/569365835.db2.gz NFIGCDVHGJKLDY-UHFFFAOYSA-N 1 2 421.545 3.111 50 0 HGAALO CCOC(=O)C1(c2ccccc2)CC[NH+](CCS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000054956622 569369241 /nfs/dbraw/zinc/36/92/41/569369241.db2.gz TYKYHZOXXGNRAZ-UHFFFAOYSA-N 1 2 415.555 3.366 50 0 HGAALO CCS(=O)(=O)Nc1ccc(NC(=O)NCc2c[nH+]c(C)n2-c2ccccc2)cc1 ZINC000078953509 569422073 /nfs/dbraw/zinc/42/20/73/569422073.db2.gz AFYDQUTXAINUKY-UHFFFAOYSA-N 1 2 413.503 3.264 50 0 HGAALO C[C@H](Cc1nc2ccccc2s1)[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000079023355 569424535 /nfs/dbraw/zinc/42/45/35/569424535.db2.gz ILPPILBAVASDKO-OAHLLOKOSA-N 1 2 419.547 3.373 50 0 HGAALO COc1ccc(-n2c(SCC[NH+]3CCOCC3)nnc2-c2cccs2)cc1 ZINC000019897377 569433273 /nfs/dbraw/zinc/43/32/73/569433273.db2.gz FDWFCLXDGOREBF-UHFFFAOYSA-N 1 2 402.545 3.429 50 0 HGAALO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000008494449 571061483 /nfs/dbraw/zinc/06/14/83/571061483.db2.gz STKVWVAJRGWTGK-HNNXBMFYSA-N 1 2 414.481 3.380 50 0 HGAALO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000008494449 571061487 /nfs/dbraw/zinc/06/14/87/571061487.db2.gz STKVWVAJRGWTGK-HNNXBMFYSA-N 1 2 414.481 3.380 50 0 HGAALO COc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1cc(C)ccc1C)CC3 ZINC000067349937 571081674 /nfs/dbraw/zinc/08/16/74/571081674.db2.gz PHYHAALCSGLLAX-UHFFFAOYSA-N 1 2 405.498 3.459 50 0 HGAALO COc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1cc(C)ccc1C)CC3 ZINC000067349937 571081675 /nfs/dbraw/zinc/08/16/75/571081675.db2.gz PHYHAALCSGLLAX-UHFFFAOYSA-N 1 2 405.498 3.459 50 0 HGAALO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000008879708 571131057 /nfs/dbraw/zinc/13/10/57/571131057.db2.gz QPFQUDVKEBEAJM-QGZVFWFLSA-N 1 2 422.481 3.145 50 0 biogenic HGAALO CC[N@H+]1CCC[C@@H]1CNC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000008879708 571131060 /nfs/dbraw/zinc/13/10/60/571131060.db2.gz QPFQUDVKEBEAJM-QGZVFWFLSA-N 1 2 422.481 3.145 50 0 biogenic HGAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000040015854 571138714 /nfs/dbraw/zinc/13/87/14/571138714.db2.gz XZWVYAIDXLHMQX-TZIWHRDSSA-N 1 2 420.488 3.317 50 0 HGAALO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@@H]1CCCc2ccccc21 ZINC000008918774 571154698 /nfs/dbraw/zinc/15/46/98/571154698.db2.gz FPUYVTOEUXDCFD-HXUWFJFHSA-N 1 2 404.514 3.160 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)Cc3ccc(-n4cccc4)cc3)CC2)c1 ZINC000040080407 571155507 /nfs/dbraw/zinc/15/55/07/571155507.db2.gz JSXGHUWISLKMBB-UHFFFAOYSA-N 1 2 419.525 3.381 50 0 HGAALO Cc1sc2nc(CS[C@H](C)C(=O)NCCCCn3cc[nH+]c3)[nH]c(=O)c2c1C ZINC000040157609 571204214 /nfs/dbraw/zinc/20/42/14/571204214.db2.gz STQKQTLUKOVXED-CQSZACIVSA-N 1 2 419.576 3.016 50 0 HGAALO CC(C)n1ncc2cc(NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cnc21 ZINC000069489748 571228485 /nfs/dbraw/zinc/22/84/85/571228485.db2.gz XEMRDKVAZVGCEA-FQEVSTJZSA-N 1 2 408.506 3.035 50 0 HGAALO CC(C)n1ncc2cc(NC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cnc21 ZINC000069489748 571228487 /nfs/dbraw/zinc/22/84/87/571228487.db2.gz XEMRDKVAZVGCEA-FQEVSTJZSA-N 1 2 408.506 3.035 50 0 HGAALO CCCCn1nnnc1CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000009219115 571238105 /nfs/dbraw/zinc/23/81/05/571238105.db2.gz URTMFJUVHLENEI-ZDUSSCGKSA-N 1 2 404.519 3.108 50 0 HGAALO COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CC[NH+](C)CC2)c(OC)c1 ZINC000009251242 571242367 /nfs/dbraw/zinc/24/23/67/571242367.db2.gz KUSRHSWNEXMYPY-UHFFFAOYSA-N 1 2 423.469 3.090 50 0 HGAALO CC[N@H+](CCCNC(=O)CN1C(=S)N=NC1c1cccs1)c1ccccc1 ZINC000009920230 571290193 /nfs/dbraw/zinc/29/01/93/571290193.db2.gz HMZMEFBKBXFHAE-UHFFFAOYSA-N 1 2 401.561 3.328 50 0 HGAALO CC[N@@H+](CCCNC(=O)CN1C(=S)N=NC1c1cccs1)c1ccccc1 ZINC000009920230 571290195 /nfs/dbraw/zinc/29/01/95/571290195.db2.gz HMZMEFBKBXFHAE-UHFFFAOYSA-N 1 2 401.561 3.328 50 0 HGAALO C[NH+](C)CCN(C(=O)c1cccc(F)c1)c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000010337337 571301091 /nfs/dbraw/zinc/30/10/91/571301091.db2.gz ISHIRPPAKAYSAE-UHFFFAOYSA-N 1 2 421.519 3.047 50 0 HGAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(C(=O)c3ccc(F)cc3)CC2)N(Cc2ccco2)C1=O ZINC000036027718 571317220 /nfs/dbraw/zinc/31/72/20/571317220.db2.gz PGNRGTFRPUGHDS-OXQOHEQNSA-N 1 2 413.493 3.398 50 0 HGAALO CCOC(=O)CCC(=O)N1CCN(c2nc(-c3cccc(C)c3)[nH+]c(C)c2CC)CC1 ZINC000006834270 132318479 /nfs/dbraw/zinc/31/84/79/132318479.db2.gz PWMZDINGYSYXFP-UHFFFAOYSA-N 1 2 424.545 3.315 50 0 HGAALO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccccc2F)CC1 ZINC000007746077 132325595 /nfs/dbraw/zinc/32/55/95/132325595.db2.gz LYDWDATYCVMTBD-UHFFFAOYSA-N 1 2 417.428 3.397 50 0 HGAALO Cn1cc[nH+]c1[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1 ZINC000012507811 132361152 /nfs/dbraw/zinc/36/11/52/132361152.db2.gz LDKQBHSGDMJVNJ-OAQYLSRUSA-N 1 2 424.888 3.095 50 0 HGAALO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccccc1N1CCOCC1 ZINC000012522950 132361745 /nfs/dbraw/zinc/36/17/45/132361745.db2.gz YIKDACPINDRQKU-UHFFFAOYSA-N 1 2 418.335 3.356 50 0 HGAALO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccccc1N1CCOCC1 ZINC000012522950 132361746 /nfs/dbraw/zinc/36/17/46/132361746.db2.gz YIKDACPINDRQKU-UHFFFAOYSA-N 1 2 418.335 3.356 50 0 HGAALO O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000012817456 132367630 /nfs/dbraw/zinc/36/76/30/132367630.db2.gz PEPDEGPJYXIHBW-UHFFFAOYSA-N 1 2 405.829 3.265 50 0 HGAALO O=C1C[C@@H](c2ccccc2F)Cc2nc(N3CCN(c4cccc[nH+]4)CC3)ncc21 ZINC000018223038 132466046 /nfs/dbraw/zinc/46/60/46/132466046.db2.gz FUKPHHPAMJOJAW-INIZCTEOSA-N 1 2 403.461 3.250 50 0 HGAALO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000042686652 519867187 /nfs/dbraw/zinc/86/71/87/519867187.db2.gz SNWOTQRUTFOBHQ-LBPRGKRZSA-N 1 2 414.319 3.153 50 0 HGAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020539208 523183084 /nfs/dbraw/zinc/18/30/84/523183084.db2.gz GQEKMTJEVCMSGA-QFIPXVFZSA-N 1 2 406.530 3.154 50 0 HGAALO COc1ccc(-c2n[nH]cc2C[N@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020539208 523183093 /nfs/dbraw/zinc/18/30/93/523183093.db2.gz GQEKMTJEVCMSGA-QFIPXVFZSA-N 1 2 406.530 3.154 50 0 HGAALO COCCN1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000020600628 523856056 /nfs/dbraw/zinc/85/60/56/523856056.db2.gz QSVWGDIAZLJRDB-UHFFFAOYSA-N 1 2 406.530 3.312 50 0 HGAALO COc1ccc(C[N@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)c(OC)c1OC ZINC000023815098 524002053 /nfs/dbraw/zinc/00/20/53/524002053.db2.gz GYXYTXXWDNYSFO-UHFFFAOYSA-N 1 2 402.535 3.229 50 0 HGAALO COc1ccc(C[N@@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)c(OC)c1OC ZINC000023815098 524002054 /nfs/dbraw/zinc/00/20/54/524002054.db2.gz GYXYTXXWDNYSFO-UHFFFAOYSA-N 1 2 402.535 3.229 50 0 HGAALO COc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1[nH+]ccn1C ZINC000032802541 524795329 /nfs/dbraw/zinc/79/53/29/524795329.db2.gz HKWAXMIYQIZRFV-XOBRGWDASA-N 1 2 408.458 3.307 50 0 HGAALO COc1ccc(OC)c(CN2CC[NH+](CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)c1 ZINC000032751456 524827687 /nfs/dbraw/zinc/82/76/87/524827687.db2.gz MKECULLHYWIRFG-KNQAVFIVSA-N 1 2 415.578 3.003 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)c1 ZINC000032751456 524827694 /nfs/dbraw/zinc/82/76/94/524827694.db2.gz MKECULLHYWIRFG-KNQAVFIVSA-N 1 2 415.578 3.003 50 0 HGAALO COc1ccc(O[C@@H](C)C(=O)N[C@H](CCn2cc[nH+]c2)c2nc3ccccc3[nH]2)cc1 ZINC000032933450 524981249 /nfs/dbraw/zinc/98/12/49/524981249.db2.gz GICDBXPTSXWVMV-HRAATJIYSA-N 1 2 419.485 3.483 50 0 HGAALO COc1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c2cccnc12 ZINC000032932957 525071996 /nfs/dbraw/zinc/07/19/96/525071996.db2.gz KFHFAOGCIQZMRN-LJQANCHMSA-N 1 2 408.483 3.045 50 0 HGAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1Cl ZINC000072442076 525134882 /nfs/dbraw/zinc/13/48/82/525134882.db2.gz ORLLNHGENUVZQB-UHFFFAOYSA-N 1 2 400.914 3.393 50 0 HGAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1Cl ZINC000072442076 525134888 /nfs/dbraw/zinc/13/48/88/525134888.db2.gz ORLLNHGENUVZQB-UHFFFAOYSA-N 1 2 400.914 3.393 50 0 HGAALO Cc1c(C)c(=O)oc2cc(OCC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)ccc12 ZINC000020573394 525672152 /nfs/dbraw/zinc/67/21/52/525672152.db2.gz GGBZUFAQNDDEHD-UHFFFAOYSA-N 1 2 422.481 3.260 50 0 HGAALO O=C(CCc1ccccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000029706874 526612500 /nfs/dbraw/zinc/61/25/00/526612500.db2.gz MPANWZNLXCUMTK-UHFFFAOYSA-N 1 2 400.906 3.388 50 0 HGAALO O=C(c1cc2c([nH]c1=O)CCCC2=O)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032272713 526631222 /nfs/dbraw/zinc/63/12/22/526631222.db2.gz HMANVSLXIGXHMC-UHFFFAOYSA-N 1 2 421.522 3.067 50 0 HGAALO Cn1cccc1C[N@@H+]1CCc2nc(N3CCOCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000034755741 557458525 /nfs/dbraw/zinc/45/85/25/557458525.db2.gz MDSAVKDLHUMXQT-UHFFFAOYSA-N 1 2 423.492 3.141 50 0 HGAALO Cn1cccc1C[N@H+]1CCc2nc(N3CCOCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000034755741 557458529 /nfs/dbraw/zinc/45/85/29/557458529.db2.gz MDSAVKDLHUMXQT-UHFFFAOYSA-N 1 2 423.492 3.141 50 0 HGAALO COCC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000034855481 557476893 /nfs/dbraw/zinc/47/68/93/557476893.db2.gz BANSKMBGGHLQES-NPMXOYFQSA-N 1 2 416.493 3.093 50 0 HGAALO COCC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000034855481 557476895 /nfs/dbraw/zinc/47/68/95/557476895.db2.gz BANSKMBGGHLQES-NPMXOYFQSA-N 1 2 416.493 3.093 50 0 HGAALO C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000022788584 557824339 /nfs/dbraw/zinc/82/43/39/557824339.db2.gz WOLSOJHDSSINKM-FQEVSTJZSA-N 1 2 422.573 3.187 50 0 HGAALO CCOC(=O)C1CC[NH+]([C@@H](c2ccccc2)C2Sc3nc(CC)nn3C2=O)CC1 ZINC000022853449 557840164 /nfs/dbraw/zinc/84/01/64/557840164.db2.gz GJQHTKMMZXBUHY-KRWDZBQOSA-N 1 2 414.531 3.423 50 0 HGAALO CCOc1ccc([C@H](C2Sc3nc(CC)nn3C2=O)[NH+]2CCC(O)CC2)cc1 ZINC000022855215 557842525 /nfs/dbraw/zinc/84/25/25/557842525.db2.gz IHSLNNHCEHAJLU-QGZVFWFLSA-N 1 2 402.520 3.004 50 0 HGAALO O=S(=O)(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022907144 557852904 /nfs/dbraw/zinc/85/29/04/557852904.db2.gz SPDVSBUQMHDIQS-FQEVSTJZSA-N 1 2 400.475 3.497 50 0 HGAALO O=S(=O)(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022907144 557852905 /nfs/dbraw/zinc/85/29/05/557852905.db2.gz SPDVSBUQMHDIQS-FQEVSTJZSA-N 1 2 400.475 3.497 50 0 HGAALO COc1ccc(CN2CC[N@H+](Cc3cccn3-c3ccccn3)C[C@@H]2CCO)cc1C ZINC000019745947 558266070 /nfs/dbraw/zinc/26/60/70/558266070.db2.gz VVZKSRRSLYHQRU-QFIPXVFZSA-N 1 2 420.557 3.258 50 0 HGAALO COc1ccc(CN2CC[N@@H+](Cc3cccn3-c3ccccn3)C[C@@H]2CCO)cc1C ZINC000019745947 558266072 /nfs/dbraw/zinc/26/60/72/558266072.db2.gz VVZKSRRSLYHQRU-QFIPXVFZSA-N 1 2 420.557 3.258 50 0 HGAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000011664396 558267925 /nfs/dbraw/zinc/26/79/25/558267925.db2.gz XMCGGPAKFAQNFQ-UHFFFAOYSA-N 1 2 424.545 3.251 50 0 HGAALO Cc1nc2sc3c(ncnc3NCC[NH+]3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000019940127 558314101 /nfs/dbraw/zinc/31/41/01/558314101.db2.gz RKJLWJDTCWRVCI-UHFFFAOYSA-N 1 2 413.547 3.143 50 0 HGAALO Cn1cc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020167680 558343054 /nfs/dbraw/zinc/34/30/54/558343054.db2.gz YBQQSYPSBGZGQB-OAQYLSRUSA-N 1 2 404.514 3.347 50 0 HGAALO Cn1cc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020167680 558343055 /nfs/dbraw/zinc/34/30/55/558343055.db2.gz YBQQSYPSBGZGQB-OAQYLSRUSA-N 1 2 404.514 3.347 50 0 HGAALO Cc1c(Cl)ccc2c(C(=O)NCC[NH+]3CCOCC3)cc(-c3ccccn3)nc12 ZINC000020295539 558354579 /nfs/dbraw/zinc/35/45/79/558354579.db2.gz OMTUQARTHIKDJN-UHFFFAOYSA-N 1 2 410.905 3.321 50 0 HGAALO CCS(=O)(=O)c1ncc(C[N@@H+]2CCCC[C@@H]2CCOC)n1Cc1ccccc1 ZINC000012300752 558370611 /nfs/dbraw/zinc/37/06/11/558370611.db2.gz PAJAYVLEQNINEJ-LJQANCHMSA-N 1 2 405.564 3.116 50 0 HGAALO CCS(=O)(=O)c1ncc(C[N@H+]2CCCC[C@@H]2CCOC)n1Cc1ccccc1 ZINC000012300752 558370612 /nfs/dbraw/zinc/37/06/12/558370612.db2.gz PAJAYVLEQNINEJ-LJQANCHMSA-N 1 2 405.564 3.116 50 0 HGAALO Cc1cccc(CN2CC[N@@H+](Cc3ccc(Sc4nncn4C)o3)CCC2=O)c1 ZINC000020774942 558411916 /nfs/dbraw/zinc/41/19/16/558411916.db2.gz GQJUYSKTBOLJDD-UHFFFAOYSA-N 1 2 411.531 3.102 50 0 HGAALO Cc1cccc(CN2CC[N@H+](Cc3ccc(Sc4nncn4C)o3)CCC2=O)c1 ZINC000020774942 558411919 /nfs/dbraw/zinc/41/19/19/558411919.db2.gz GQJUYSKTBOLJDD-UHFFFAOYSA-N 1 2 411.531 3.102 50 0 HGAALO CCn1ccnc1C[NH+]1CCC(Oc2cc(OC)ccc2C(=O)N2CCCC2)CC1 ZINC000012444676 558413408 /nfs/dbraw/zinc/41/34/08/558413408.db2.gz LJXLLWILLNRNME-UHFFFAOYSA-N 1 2 412.534 3.191 50 0 HGAALO CCn1nc(C)c(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1C ZINC000020996404 558426762 /nfs/dbraw/zinc/42/67/62/558426762.db2.gz JRIMTWFYGWITJW-QFIPXVFZSA-N 1 2 414.594 3.214 50 0 HGAALO CCn1nc(C)c(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1C ZINC000020996404 558426763 /nfs/dbraw/zinc/42/67/63/558426763.db2.gz JRIMTWFYGWITJW-QFIPXVFZSA-N 1 2 414.594 3.214 50 0 HGAALO C[N@@H+]1CC[C@H](c2c(=O)cc(O)c3c(O)cc(-c4ccccc4Cl)oc2-3)[C@H](O)C1 ZINC000021288966 558434868 /nfs/dbraw/zinc/43/48/68/558434868.db2.gz BIIVYFLTOXDAOV-YVEFUNNKSA-N 1 2 401.846 3.305 50 0 investigational HGAALO C[N@H+]1CC[C@H](c2c(=O)cc(O)c3c(O)cc(-c4ccccc4Cl)oc2-3)[C@H](O)C1 ZINC000021288966 558434873 /nfs/dbraw/zinc/43/48/73/558434873.db2.gz BIIVYFLTOXDAOV-YVEFUNNKSA-N 1 2 401.846 3.305 50 0 investigational HGAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cc(Cl)ccc1Cl ZINC000021847410 558452147 /nfs/dbraw/zinc/45/21/47/558452147.db2.gz MPBPPWCAOZIMHW-UHFFFAOYSA-N 1 2 422.312 3.478 50 0 HGAALO O=C(CC[C@H]1CCCN(C(=O)c2cccs2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012712048 558452917 /nfs/dbraw/zinc/45/29/17/558452917.db2.gz GWHFHKDVTBCBAH-GOSISDBHSA-N 1 2 412.559 3.124 50 0 HGAALO C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022039667 558459574 /nfs/dbraw/zinc/45/95/74/558459574.db2.gz KOYUNFXSWDKDDZ-GCJKJVERSA-N 1 2 421.541 3.115 50 0 HGAALO C[C@H](C(=O)N[C@H]1CCCc2ccccc21)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022039667 558459577 /nfs/dbraw/zinc/45/95/77/558459577.db2.gz KOYUNFXSWDKDDZ-GCJKJVERSA-N 1 2 421.541 3.115 50 0 HGAALO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1C ZINC000012792850 558466681 /nfs/dbraw/zinc/46/66/81/558466681.db2.gz ZZTFOGNBWOGQDU-AWEZNQCLSA-N 1 2 400.548 3.360 50 0 HGAALO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1C ZINC000012792850 558466682 /nfs/dbraw/zinc/46/66/82/558466682.db2.gz ZZTFOGNBWOGQDU-AWEZNQCLSA-N 1 2 400.548 3.360 50 0 HGAALO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012797113 558469596 /nfs/dbraw/zinc/46/95/96/558469596.db2.gz YEFPHUXFRPJYPS-CYBMUJFWSA-N 1 2 403.429 3.348 50 0 HGAALO Cc1ccc(CN2C[C@@H](C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CC2=O)cc1 ZINC000022238199 558471244 /nfs/dbraw/zinc/47/12/44/558471244.db2.gz SGIVTTMZTUDHNQ-SFHVURJKSA-N 1 2 412.559 3.425 50 0 HGAALO C[N@@H+](Cc1ccc2c(c1)OCCO2)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000013058824 558509397 /nfs/dbraw/zinc/50/93/97/558509397.db2.gz SPLSVACHBXOGOE-UHFFFAOYSA-N 1 2 415.534 3.374 50 0 HGAALO C[N@H+](Cc1ccc2c(c1)OCCO2)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000013058824 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3.149 50 0 HGAALO CCn1c2ccccc2nc1SCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023055400 558532600 /nfs/dbraw/zinc/53/26/00/558532600.db2.gz BZIBWUMWQOVFPJ-UHFFFAOYSA-N 1 2 424.570 3.372 50 0 HGAALO C[N@@H+]1CCc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2C1 ZINC000023607801 558563425 /nfs/dbraw/zinc/56/34/25/558563425.db2.gz RCQRSQXTMFUIIK-AWEZNQCLSA-N 1 2 418.950 3.275 50 0 HGAALO C[N@H+]1CCc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2C1 ZINC000023607801 558563428 /nfs/dbraw/zinc/56/34/28/558563428.db2.gz RCQRSQXTMFUIIK-AWEZNQCLSA-N 1 2 418.950 3.275 50 0 HGAALO O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735588 558572239 /nfs/dbraw/zinc/57/22/39/558572239.db2.gz LGEDUQSSZGYYFU-KRWDZBQOSA-N 1 2 417.962 3.094 50 0 HGAALO COc1ccc([C@@H](CNC(=O)Cc2ccc3c(c2)CCCC3)[NH+]2CCOCC2)cc1 ZINC000023762991 558575025 /nfs/dbraw/zinc/57/50/25/558575025.db2.gz VHHJORMEZSFBTF-XMMPIXPASA-N 1 2 408.542 3.306 50 0 HGAALO O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 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417.303 3.178 50 0 HGAALO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000024257806 558593301 /nfs/dbraw/zinc/59/33/01/558593301.db2.gz LPJIXHAYLKCHEH-UHFFFAOYSA-N 1 2 415.342 3.304 50 0 HGAALO NC(=O)N[C@H](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000024437511 558597372 /nfs/dbraw/zinc/59/73/72/558597372.db2.gz TUKQUHGFQWUNDM-LJQANCHMSA-N 1 2 411.893 3.001 50 0 HGAALO Cc1ccc([C@H](CNc2ncnc3c2cnn3-c2ccccc2)[NH+]2CCOCC2)o1 ZINC000024528646 558600267 /nfs/dbraw/zinc/60/02/67/558600267.db2.gz PPHMTXFMIKBHJX-IBGZPJMESA-N 1 2 404.474 3.202 50 0 HGAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024831064 558614964 /nfs/dbraw/zinc/61/49/64/558614964.db2.gz ZCEXHXAXXBHYOF-SFHVURJKSA-N 1 2 414.531 3.499 50 0 HGAALO Cc1ccc2c(c1)CCCN2CC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000014086081 558618778 /nfs/dbraw/zinc/61/87/78/558618778.db2.gz JIHGGXHJWGMNAV-NBGIEHNGSA-N 1 2 407.558 3.326 50 0 HGAALO O=C(c1ccc2c(c1)NC(=O)CCS2)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000014183886 558629432 /nfs/dbraw/zinc/62/94/32/558629432.db2.gz IXNSPHJOHKUVAG-UHFFFAOYSA-N 1 2 423.538 3.014 50 0 HGAALO O=C(COc1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000025426858 558640960 /nfs/dbraw/zinc/64/09/60/558640960.db2.gz FLWCDOKUXMJAHP-UHFFFAOYSA-N 1 2 422.403 3.157 50 0 HGAALO COc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1Br ZINC000014245937 558647039 /nfs/dbraw/zinc/64/70/39/558647039.db2.gz WZDIRFHQOKUFRU-UHFFFAOYSA-N 1 2 419.319 3.295 50 0 HGAALO O=C(C[NH+]1CCC(NC(=O)NCCSc2ccccc2)CC1)Nc1ccccc1 ZINC000026283173 558658333 /nfs/dbraw/zinc/65/83/33/558658333.db2.gz OBTSRHTVBHPPDV-UHFFFAOYSA-N 1 2 412.559 3.181 50 0 HGAALO C[C@H](C(=O)c1c[nH]c2ccccc12)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000026844811 558665897 /nfs/dbraw/zinc/66/58/97/558665897.db2.gz XCTINLVMQHZTFK-QGZVFWFLSA-N 1 2 405.498 3.328 50 0 HGAALO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000026844811 558665900 /nfs/dbraw/zinc/66/59/00/558665900.db2.gz 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418.501 3.326 50 0 HGAALO COc1ccc2cc(C(=O)N3CC[NH+](Cc4cc(OC)ccc4OC)CC3)[nH]c2c1 ZINC000029984125 558725405 /nfs/dbraw/zinc/72/54/05/558725405.db2.gz NTBJDLYIKKMFMW-UHFFFAOYSA-N 1 2 409.486 3.152 50 0 HGAALO COc1ccc([C@@H](CNc2nc3ccccc3nc2C)[NH+]2CCOCC2)cc1OC ZINC000030009181 558725861 /nfs/dbraw/zinc/72/58/61/558725861.db2.gz KFTOLIHTFOQWFH-HXUWFJFHSA-N 1 2 408.502 3.441 50 0 HGAALO CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000020942346 558783559 /nfs/dbraw/zinc/78/35/59/558783559.db2.gz LIIXPFQGVGOZPQ-UHFFFAOYSA-N 1 2 407.470 3.471 50 0 HGAALO CSc1cccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)c1 ZINC000035597323 558793828 /nfs/dbraw/zinc/79/38/28/558793828.db2.gz RANPMSYMSWLKTJ-UHFFFAOYSA-N 1 2 409.519 3.047 50 0 HGAALO Cc1ccc(-c2n[nH]c(=S)c3ccccc32)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000018137576 558832007 /nfs/dbraw/zinc/83/20/07/558832007.db2.gz KFXCUGWYVIXBKB-UHFFFAOYSA-N 1 2 414.556 3.204 50 0 HGAALO CCc1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000018179323 558832780 /nfs/dbraw/zinc/83/27/80/558832780.db2.gz DZKIRBIICSNNGU-UHFFFAOYSA-N 1 2 404.308 3.134 50 0 HGAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(C(=O)c3csc4c3CCCC4)C2)CC1 ZINC000055100224 558872675 /nfs/dbraw/zinc/87/26/75/558872675.db2.gz BAMZWEMMAGTTPX-MRXNPFEDSA-N 1 2 405.564 3.006 50 0 HGAALO CCOC(=O)c1ccc(NC(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)cc1 ZINC000033106512 558874276 /nfs/dbraw/zinc/87/42/76/558874276.db2.gz MEDNJHWRZBMRGI-UHFFFAOYSA-N 1 2 407.474 3.104 50 0 HGAALO CC[N@H+](CCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O)c1ccccc1 ZINC000004669419 558877190 /nfs/dbraw/zinc/87/71/90/558877190.db2.gz PNJKQDWRJGKEKJ-UHFFFAOYSA-N 1 2 404.514 3.252 50 0 HGAALO CC[N@@H+](CCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O)c1ccccc1 ZINC000004669419 558877192 /nfs/dbraw/zinc/87/71/92/558877192.db2.gz PNJKQDWRJGKEKJ-UHFFFAOYSA-N 1 2 404.514 3.252 50 0 HGAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000057291849 558888137 /nfs/dbraw/zinc/88/81/37/558888137.db2.gz UTUNMYKNJIIQHY-UHFFFAOYSA-N 1 2 421.419 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O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1)NCc1ccoc1 ZINC000072148188 558929555 /nfs/dbraw/zinc/92/95/55/558929555.db2.gz HAMORJIPBNSAIQ-JOCHJYFZSA-N 1 2 419.481 3.079 50 0 HGAALO COC(=O)c1c(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c2c(cccc2C)n1C ZINC000059866378 558939632 /nfs/dbraw/zinc/93/96/32/558939632.db2.gz VIROANVGWOZXFO-UHFFFAOYSA-N 1 2 420.513 3.034 50 0 HGAALO OCC[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[N@@H+]1Cc1ccccc1F ZINC000019595194 558946085 /nfs/dbraw/zinc/94/60/85/558946085.db2.gz TXHPURACGQCCJS-QGZVFWFLSA-N 1 2 406.885 3.277 50 0 HGAALO OCC[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[N@H+]1Cc1ccccc1F ZINC000019595194 558946087 /nfs/dbraw/zinc/94/60/87/558946087.db2.gz TXHPURACGQCCJS-QGZVFWFLSA-N 1 2 406.885 3.277 50 0 HGAALO COC(=O)c1c(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c2cc(C)ccc2n1C ZINC000061958013 558947366 /nfs/dbraw/zinc/94/73/66/558947366.db2.gz QPAKDRDWPUIIAS-UHFFFAOYSA-N 1 2 420.513 3.034 50 0 HGAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccccc4F)CC3)[nH+]c(C)n2)n1 ZINC000065363487 558974492 /nfs/dbraw/zinc/97/44/92/558974492.db2.gz DHVFWWZVJDOEOQ-UHFFFAOYSA-N 1 2 409.469 3.081 50 0 HGAALO Cc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)cc1Cl ZINC000065364793 558976000 /nfs/dbraw/zinc/97/60/00/558976000.db2.gz DUJGXBGCWZYNEB-UHFFFAOYSA-N 1 2 411.897 3.287 50 0 HGAALO CCOC(=O)C1CC[NH+]([C@@H](c2ccc(F)cc2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000023157466 559022397 /nfs/dbraw/zinc/02/23/97/559022397.db2.gz PHNHPXURGLYWDY-INIZCTEOSA-N 1 2 418.494 3.308 50 0 HGAALO Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccccc3C(F)(F)F)ncn2)c1C ZINC000082230600 559042946 /nfs/dbraw/zinc/04/29/46/559042946.db2.gz BPIPAIDESHPHTF-UHFFFAOYSA-N 1 2 404.396 3.140 50 0 HGAALO Cc1cc2oc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)cc(=O)c2cc1Cl ZINC000095099723 559079260 /nfs/dbraw/zinc/07/92/60/559079260.db2.gz FDOCJESNHNFGFP-UHFFFAOYSA-N 1 2 411.889 3.150 50 0 HGAALO CC(C)c1nc(C[NH+]2CCC3(CC(=O)N(Cc4cc(F)cc(F)c4)C3)CC2)no1 ZINC000095392753 559080861 /nfs/dbraw/zinc/08/08/61/559080861.db2.gz WOLQABQNGUWFQB-UHFFFAOYSA-N 1 2 404.461 3.486 50 0 HGAALO O=C1C[C@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100500390 559135782 /nfs/dbraw/zinc/13/57/82/559135782.db2.gz GMYQLGVNKMMQGG-SFHVURJKSA-N 1 2 404.297 3.448 50 0 HGAALO O=C(c1ccc(Cl)cc1)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 ZINC000101655495 559147599 /nfs/dbraw/zinc/14/75/99/559147599.db2.gz BDJAMSFTTWFDMG-UHFFFAOYSA-N 1 2 411.889 3.316 50 0 HGAALO CCN(CC)C(=O)C[NH+]1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000014138669 559153473 /nfs/dbraw/zinc/15/34/73/559153473.db2.gz ADZHVUDWEXSOEA-UHFFFAOYSA-N 1 2 409.559 3.349 50 0 HGAALO C[N@H+](CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 ZINC000247929444 559255260 /nfs/dbraw/zinc/25/52/60/559255260.db2.gz FFYAHKFABLLOFU-IRLDBZIGSA-N 1 2 412.555 3.216 50 0 HGAALO C[N@@H+](CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 ZINC000247929444 559255263 /nfs/dbraw/zinc/25/52/63/559255263.db2.gz FFYAHKFABLLOFU-IRLDBZIGSA-N 1 2 412.555 3.216 50 0 HGAALO Cc1n[nH]c(C2CC[NH+](CC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)CC2)n1 ZINC000078742916 560540806 /nfs/dbraw/zinc/54/08/06/560540806.db2.gz LRZMYHMTRXPIDS-HXUWFJFHSA-N 1 2 413.522 3.399 50 0 HGAALO Cc1nc(C2CC[NH+](CC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)CC2)n[nH]1 ZINC000078742916 560540808 /nfs/dbraw/zinc/54/08/08/560540808.db2.gz LRZMYHMTRXPIDS-HXUWFJFHSA-N 1 2 413.522 3.399 50 0 HGAALO Cc1nnc(C2CC[NH+](CC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)CC2)[nH]1 ZINC000078742916 560540810 /nfs/dbraw/zinc/54/08/10/560540810.db2.gz LRZMYHMTRXPIDS-HXUWFJFHSA-N 1 2 413.522 3.399 50 0 HGAALO CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000018217899 560784956 /nfs/dbraw/zinc/78/49/56/560784956.db2.gz ORMNUNLPLQXJAO-SOAGJPPSSA-N 1 2 400.567 3.087 50 0 HGAALO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccc(Cl)s4)CC3)C2=O)c(C)c1 ZINC000101490528 560795973 /nfs/dbraw/zinc/79/59/73/560795973.db2.gz GLIVECXQDOKBGN-GOSISDBHSA-N 1 2 417.962 3.468 50 0 HGAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccccc3)CC2)N(C[C@@H](C)CC)C1=O ZINC000104949834 560857516 /nfs/dbraw/zinc/85/75/16/560857516.db2.gz CKVREYRKLOMHKH-NSHGMRRFSA-N 1 2 421.607 3.060 50 0 HGAALO C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000048253061 568434396 /nfs/dbraw/zinc/43/43/96/568434396.db2.gz ULYGFFWWTJNVLA-UZLBHIALSA-N 1 2 417.531 3.208 50 0 HGAALO CC[C@H](C)NC(=O)c1cn(C2CC2)c2cc(N3CC[NH+](CC)CC3)c(F)cc2c1=O ZINC000051364377 568436332 /nfs/dbraw/zinc/43/63/32/568436332.db2.gz HXJWJZMADQGJQP-HNNXBMFYSA-N 1 2 414.525 3.146 50 0 HGAALO CCCCNC(=O)c1cn(C2CC2)c2cc(N3CC[NH+](CC)CC3)c(F)cc2c1=O ZINC000051364381 568436408 /nfs/dbraw/zinc/43/64/08/568436408.db2.gz DPSKURHSMFVFQF-UHFFFAOYSA-N 1 2 414.525 3.147 50 0 HGAALO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2c(Cl)nc3ccccn32)c2ccc(Cl)cc2)C1 ZINC000222051440 568513916 /nfs/dbraw/zinc/51/39/16/568513916.db2.gz OYXYCKZXYSMSHV-WBVHZDCISA-N 1 2 419.312 3.443 50 0 HGAALO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2c(Cl)nc3ccccn32)c2ccc(Cl)cc2)C1 ZINC000222051440 568513917 /nfs/dbraw/zinc/51/39/17/568513917.db2.gz OYXYCKZXYSMSHV-WBVHZDCISA-N 1 2 419.312 3.443 50 0 HGAALO O=C1C(Cl)=C(N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000019911833 568585658 /nfs/dbraw/zinc/58/56/58/568585658.db2.gz CYNSHTHLYJCUPY-UHFFFAOYSA-N 1 2 416.308 3.481 50 0 HGAALO Cc1cc(Br)cn2c(CN3CCN(C(=O)OC(C)(C)C)CC3)c[nH+]c12 ZINC000094992588 568593191 /nfs/dbraw/zinc/59/31/91/568593191.db2.gz GGKJKLIPMKZRTA-UHFFFAOYSA-N 1 2 409.328 3.458 50 0 HGAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000020288079 568597445 /nfs/dbraw/zinc/59/74/45/568597445.db2.gz JLMDVKXRPNVNLO-IIBYNOLFSA-N 1 2 417.575 3.262 50 0 HGAALO O=C(NCCc1ccccc1F)C1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000040120655 568620765 /nfs/dbraw/zinc/62/07/65/568620765.db2.gz VPJWHQFMVZDSBR-UHFFFAOYSA-N 1 2 422.504 3.370 50 0 HGAALO C[C@H]1Cc2cc(S(=O)(=O)NCc3[nH+]ccn3Cc3ccccc3)cc(Cl)c2O1 ZINC000095461762 568620895 /nfs/dbraw/zinc/62/08/95/568620895.db2.gz JLUBEEIVGMSEHB-AWEZNQCLSA-N 1 2 417.918 3.387 50 0 HGAALO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000095464594 568622608 /nfs/dbraw/zinc/62/26/08/568622608.db2.gz DFHMQFBMYVFRRG-HNNXBMFYSA-N 1 2 411.340 3.347 50 0 HGAALO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000095464594 568622609 /nfs/dbraw/zinc/62/26/09/568622609.db2.gz DFHMQFBMYVFRRG-HNNXBMFYSA-N 1 2 411.340 3.347 50 0 HGAALO O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020865594 568646484 /nfs/dbraw/zinc/64/64/84/568646484.db2.gz GYQHNOCXDQQTQH-UHFFFAOYSA-N 1 2 422.554 3.091 50 0 HGAALO CC[C@H](C(=O)NCCC[N@H+](CC)c1cccc(C)c1)N1c2cc(C)nn2CCC1=O ZINC000020943582 568653258 /nfs/dbraw/zinc/65/32/58/568653258.db2.gz HXYSPFCMHRWLEX-HXUWFJFHSA-N 1 2 411.550 3.048 50 0 HGAALO CC[C@H](C(=O)NCCC[N@@H+](CC)c1cccc(C)c1)N1c2cc(C)nn2CCC1=O ZINC000020943582 568653260 /nfs/dbraw/zinc/65/32/60/568653260.db2.gz HXYSPFCMHRWLEX-HXUWFJFHSA-N 1 2 411.550 3.048 50 0 HGAALO Cc1nn(C)c(C)c1-c1cc(C(=O)NCCCCCc2[nH]c3ccccc3[nH+]2)[nH]n1 ZINC000096118627 568698416 /nfs/dbraw/zinc/69/84/16/568698416.db2.gz IDEBXGQOHNUWKB-UHFFFAOYSA-N 1 2 405.506 3.446 50 0 HGAALO Cn1c(CCCCCNC(=O)[C@H]2CCCN(c3ncccn3)C2)[nH+]c2ccccc21 ZINC000096231621 568707305 /nfs/dbraw/zinc/70/73/05/568707305.db2.gz ZMDOIBYLRGUPSQ-SFHVURJKSA-N 1 2 406.534 3.109 50 0 HGAALO COC(=O)[C@@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)CC1CC1 ZINC000096299905 568723088 /nfs/dbraw/zinc/72/30/88/568723088.db2.gz KDDPLFSEFMQEDS-LJQANCHMSA-N 1 2 412.530 3.433 50 0 HGAALO COC(=O)[C@@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)CC1CC1 ZINC000096299905 568723091 /nfs/dbraw/zinc/72/30/91/568723091.db2.gz KDDPLFSEFMQEDS-LJQANCHMSA-N 1 2 412.530 3.433 50 0 HGAALO Cc1nn(-c2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)c2c1C(=O)CCC2 ZINC000021652826 568730386 /nfs/dbraw/zinc/73/03/86/568730386.db2.gz PEGLBLNBYQKAJK-UHFFFAOYSA-N 1 2 415.497 3.057 50 0 HGAALO CCOC(=O)/C=C/c1ccc(NC(=O)C[N@H+](C)Cc2ccc(OC)cc2OC)cc1 ZINC000022060250 568764527 /nfs/dbraw/zinc/76/45/27/568764527.db2.gz SJINORLSRMOADU-MDWZMJQESA-N 1 2 412.486 3.351 50 0 HGAALO CCOC(=O)/C=C/c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)cc2OC)cc1 ZINC000022060250 568764528 /nfs/dbraw/zinc/76/45/28/568764528.db2.gz SJINORLSRMOADU-MDWZMJQESA-N 1 2 412.486 3.351 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(Cl)cc1)N1CC[NH+](CC)CC1)S2 ZINC000022578022 568770052 /nfs/dbraw/zinc/77/00/52/568770052.db2.gz KKVMNPBABXWCIA-MRXNPFEDSA-N 1 2 405.955 3.439 50 0 HGAALO O=C(COc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056945464 568821490 /nfs/dbraw/zinc/82/14/90/568821490.db2.gz MCZFZEAHGGCSTD-QFIPXVFZSA-N 1 2 423.488 3.477 50 0 HGAALO O=C(COc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000056945182 568821619 /nfs/dbraw/zinc/82/16/19/568821619.db2.gz CQVJTSUHWKQPNR-QFIPXVFZSA-N 1 2 405.498 3.338 50 0 HGAALO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000056946293 568821954 /nfs/dbraw/zinc/82/19/54/568821954.db2.gz XNZDXSIBMWMRSY-OAQYLSRUSA-N 1 2 411.527 3.121 50 0 HGAALO C[C@H]1CCCC[C@H]1OCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000057343451 568827298 /nfs/dbraw/zinc/82/72/98/568827298.db2.gz WWFZWNBNYAGYJA-XJKSGUPXSA-N 1 2 409.328 3.491 50 0 HGAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000057432010 568836519 /nfs/dbraw/zinc/83/65/19/568836519.db2.gz OAVFWBLMOHEPMC-IAGOWNOFSA-N 1 2 412.433 3.162 50 0 HGAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012463875 568837793 /nfs/dbraw/zinc/83/77/93/568837793.db2.gz MXRFLINRVFOITB-IBGZPJMESA-N 1 2 419.447 3.021 50 0 HGAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012463875 568837795 /nfs/dbraw/zinc/83/77/95/568837795.db2.gz MXRFLINRVFOITB-IBGZPJMESA-N 1 2 419.447 3.021 50 0 HGAALO CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000057478271 568839827 /nfs/dbraw/zinc/83/98/27/568839827.db2.gz QXOHWUKATHIKLG-NRFANRHFSA-N 1 2 409.461 3.055 50 0 HGAALO CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000057478271 568839828 /nfs/dbraw/zinc/83/98/28/568839828.db2.gz QXOHWUKATHIKLG-NRFANRHFSA-N 1 2 409.461 3.055 50 0 HGAALO CCOC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000057478271 568839831 /nfs/dbraw/zinc/83/98/31/568839831.db2.gz QXOHWUKATHIKLG-NRFANRHFSA-N 1 2 409.461 3.055 50 0 HGAALO CCOC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000057478271 568839832 /nfs/dbraw/zinc/83/98/32/568839832.db2.gz QXOHWUKATHIKLG-NRFANRHFSA-N 1 2 409.461 3.055 50 0 HGAALO C[C@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012535094 568845122 /nfs/dbraw/zinc/84/51/22/568845122.db2.gz BQFCFTZINNWRMY-GHTZIAJQSA-N 1 2 402.498 3.141 50 0 HGAALO COc1ccc(CCNC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1OC ZINC000003045569 568848828 /nfs/dbraw/zinc/84/88/28/568848828.db2.gz BPKQAZISJOTXDQ-UHFFFAOYSA-N 1 2 408.502 3.155 50 0 HGAALO CN(CC(=O)Nc1cccc(F)c1)C(=O)CCSCc1cn2ccccc2[nH+]1 ZINC000012544565 568849847 /nfs/dbraw/zinc/84/98/47/568849847.db2.gz UPECROZCXGYWEA-UHFFFAOYSA-N 1 2 400.479 3.194 50 0 HGAALO CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000057688624 568858377 /nfs/dbraw/zinc/85/83/77/568858377.db2.gz RFJWPVXXWJAGRY-UHFFFAOYSA-N 1 2 411.502 3.007 50 0 HGAALO Nc1nc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc(Nc2ccccc2)n1 ZINC000057891739 568866113 /nfs/dbraw/zinc/86/61/13/568866113.db2.gz GZIXLNKHKDWYJB-QGZVFWFLSA-N 1 2 404.474 3.306 50 0 HGAALO Nc1nc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc(Nc2ccccc2)n1 ZINC000057891739 568866115 /nfs/dbraw/zinc/86/61/15/568866115.db2.gz GZIXLNKHKDWYJB-QGZVFWFLSA-N 1 2 404.474 3.306 50 0 HGAALO COc1cccc(C(=O)NC[C@H](c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000058133880 568890053 /nfs/dbraw/zinc/89/00/53/568890053.db2.gz AWKBGZLYUYRGQM-XMMPIXPASA-N 1 2 416.525 3.384 50 0 HGAALO CCOC(=O)c1ccsc1NC(=O)C[N@H+](CC)C[C@@H]1COc2ccccc2O1 ZINC000031174536 568917106 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415.497 3.278 50 0 HGAALO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1F ZINC000008309058 568988561 /nfs/dbraw/zinc/98/85/61/568988561.db2.gz IAIQWELJJRUWDW-UHFFFAOYSA-N 1 2 403.845 3.139 50 0 HGAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1F ZINC000008309058 568988562 /nfs/dbraw/zinc/98/85/62/568988562.db2.gz IAIQWELJJRUWDW-UHFFFAOYSA-N 1 2 403.845 3.139 50 0 HGAALO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(OC)c2OC)C[C@H]1CCO ZINC000104365751 569008483 /nfs/dbraw/zinc/00/84/83/569008483.db2.gz VFNLBKKLXIXSEV-OAQYLSRUSA-N 1 2 414.546 3.171 50 0 HGAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(OC)c2OC)C[C@H]1CCO ZINC000104365751 569008484 /nfs/dbraw/zinc/00/84/84/569008484.db2.gz VFNLBKKLXIXSEV-OAQYLSRUSA-N 1 2 414.546 3.171 50 0 HGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(-n3cccn3)c2)C[C@H]1CCO ZINC000104380751 569008560 /nfs/dbraw/zinc/00/85/60/569008560.db2.gz IRFVBAPTDHWPCZ-XMMPIXPASA-N 1 2 420.557 3.340 50 0 HGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(-n3cccn3)c2)C[C@H]1CCO ZINC000104380751 569008561 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3.242 50 0 HGAALO Cc1ccc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000006406841 569047061 /nfs/dbraw/zinc/04/70/61/569047061.db2.gz QDSSRWCKMIZGDM-RCCKNPSSSA-N 1 2 406.461 3.308 50 0 HGAALO CC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)C[C@H]1COc2ccccc2O1 ZINC000012996272 569048309 /nfs/dbraw/zinc/04/83/09/569048309.db2.gz WCEODEPYWZMYSY-AWEZNQCLSA-N 1 2 420.893 3.458 50 0 HGAALO CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)C[C@H]1COc2ccccc2O1 ZINC000012996272 569048310 /nfs/dbraw/zinc/04/83/10/569048310.db2.gz WCEODEPYWZMYSY-AWEZNQCLSA-N 1 2 420.893 3.458 50 0 HGAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000013013446 569050916 /nfs/dbraw/zinc/05/09/16/569050916.db2.gz JUJGLLBWLAHFGX-QGZVFWFLSA-N 1 2 403.486 3.068 50 0 HGAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000013013446 569050917 /nfs/dbraw/zinc/05/09/17/569050917.db2.gz JUJGLLBWLAHFGX-QGZVFWFLSA-N 1 2 403.486 3.068 50 0 HGAALO C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)NCC[NH+]2CCOCC2)[C@H]1C ZINC000241644578 569054912 /nfs/dbraw/zinc/05/49/12/569054912.db2.gz PRWBCGNKRFMUQI-WSTZPKSXSA-N 1 2 417.550 3.084 50 0 HGAALO Cc1cc(C)c(Cn2ccnc2CN(CC[NH+]2CCOCC2)C(=O)C2CCC2)c(C)c1 ZINC000035800869 569060440 /nfs/dbraw/zinc/06/04/40/569060440.db2.gz HRNBDLAWSVSZDS-UHFFFAOYSA-N 1 2 424.589 3.318 50 0 HGAALO Cc1cc(C)c(Cn2cc[nH+]c2CN(CCN2CCOCC2)C(=O)C2CCC2)c(C)c1 ZINC000035800869 569060441 /nfs/dbraw/zinc/06/04/41/569060441.db2.gz HRNBDLAWSVSZDS-UHFFFAOYSA-N 1 2 424.589 3.318 50 0 HGAALO COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000089466038 569060735 /nfs/dbraw/zinc/06/07/35/569060735.db2.gz BTWGGSRRXCIODD-UHFFFAOYSA-N 1 2 422.304 3.122 50 0 HGAALO CCc1nc(CN(C)C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)no1 ZINC000426369934 569072494 /nfs/dbraw/zinc/07/24/94/569072494.db2.gz LKTVVZMZFMPKPC-UHFFFAOYSA-N 1 2 415.519 3.129 50 0 HGAALO CCc1nc(CN(C)C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)no1 ZINC000426369934 569072495 /nfs/dbraw/zinc/07/24/95/569072495.db2.gz LKTVVZMZFMPKPC-UHFFFAOYSA-N 1 2 415.519 3.129 50 0 HGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](C)Cc3cnccn3)csc2C1 ZINC000426445681 569073022 /nfs/dbraw/zinc/07/30/22/569073022.db2.gz UZPSVCVCOPCMJP-ZDUSSCGKSA-N 1 2 411.531 3.062 50 0 HGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](C)Cc3cnccn3)csc2C1 ZINC000426445681 569073023 /nfs/dbraw/zinc/07/30/23/569073023.db2.gz UZPSVCVCOPCMJP-ZDUSSCGKSA-N 1 2 411.531 3.062 50 0 HGAALO CCC(=O)N(CC[NH+]1CCOCC1)Cc1csc(COc2cccc(C)c2C)n1 ZINC000036107131 569093264 /nfs/dbraw/zinc/09/32/64/569093264.db2.gz YEKLGYXCQCOVFU-UHFFFAOYSA-N 1 2 417.575 3.410 50 0 HGAALO CCn1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc2c1c1ccccc1oc2=O ZINC000064839062 569106407 /nfs/dbraw/zinc/10/64/07/569106407.db2.gz DTFVGVJXGDURLP-UHFFFAOYSA-N 1 2 402.454 3.125 50 0 HGAALO O=C(NCc1ccco1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036251703 569119494 /nfs/dbraw/zinc/11/94/94/569119494.db2.gz WKMXQVFCEQYLHU-NRFANRHFSA-N 1 2 413.493 3.052 50 0 HGAALO O=C(NCc1ccco1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036251631 569119540 /nfs/dbraw/zinc/11/95/40/569119540.db2.gz FFZKGANMGTWCQS-OAQYLSRUSA-N 1 2 413.493 3.052 50 0 HGAALO Cc1ccc(-c2csc(-c3cccn3CC(=O)NCC[NH+]3CCOCC3)n2)cc1 ZINC000065114058 569180962 /nfs/dbraw/zinc/18/09/62/569180962.db2.gz UZKIBJQNWOUMNL-UHFFFAOYSA-N 1 2 410.543 3.035 50 0 HGAALO Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000065230286 569200681 /nfs/dbraw/zinc/20/06/81/569200681.db2.gz BUFIRWFYWUDQNQ-UHFFFAOYSA-N 1 2 410.543 3.385 50 0 HGAALO CCc1ccc(-c2cc3c(=O)n(Cc4noc(C[NH+]5CCCCC5)n4)ccn3n2)cc1 ZINC000065235845 569202519 /nfs/dbraw/zinc/20/25/19/569202519.db2.gz FIBVVAOIHQTRKJ-UHFFFAOYSA-N 1 2 418.501 3.143 50 0 HGAALO O=C(Nc1ccc(F)cc1)C1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000065237086 569202713 /nfs/dbraw/zinc/20/27/13/569202713.db2.gz SXJLMAHPSHWORM-UHFFFAOYSA-N 1 2 401.511 3.024 50 0 HGAALO O=C(Nc1ccc(F)cc1)C1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000065237086 569202714 /nfs/dbraw/zinc/20/27/14/569202714.db2.gz SXJLMAHPSHWORM-UHFFFAOYSA-N 1 2 401.511 3.024 50 0 HGAALO CC1CCN(c2cc(-n3cnc(C(=O)N4CCc5ccccc5C4)c3)nc[nH+]2)CC1 ZINC000065239807 569203458 /nfs/dbraw/zinc/20/34/58/569203458.db2.gz RIUIBNBXYXZLGP-UHFFFAOYSA-N 1 2 402.502 3.097 50 0 HGAALO c1ccc(-c2noc(-c3nnc(NCC[NH+]4CCOCC4)c4ccccc43)n2)cc1 ZINC000065258319 569210200 /nfs/dbraw/zinc/21/02/00/569210200.db2.gz WNAHOYHLKSZPHS-UHFFFAOYSA-N 1 2 402.458 3.091 50 0 HGAALO CC(C)(C)N=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000065265972 569213114 /nfs/dbraw/zinc/21/31/14/569213114.db2.gz YXOZOGZXQLYTCD-DEOSSOPVSA-N 1 2 420.513 3.222 50 0 HGAALO Cc1ccc(Nc2cc(N3CCC(C(=O)NCc4ccccn4)CC3)nc[nH+]2)cc1 ZINC000065307724 569219859 /nfs/dbraw/zinc/21/98/59/569219859.db2.gz BUHBVFLPBXYEEC-UHFFFAOYSA-N 1 2 402.502 3.456 50 0 HGAALO Cn1cc(C[NH+]2CCN(C(=O)c3ccc(Br)o3)CC2)c2ccccc21 ZINC000065330067 569225017 /nfs/dbraw/zinc/22/50/17/569225017.db2.gz YGBDSSFKJKTEQI-UHFFFAOYSA-N 1 2 402.292 3.492 50 0 HGAALO COc1cccc([C@@H](NC(=O)c2ccc(-c3cccs3)[nH]c2=O)c2[nH+]ccn2C)c1 ZINC000065519110 569233517 /nfs/dbraw/zinc/23/35/17/569233517.db2.gz ZFXQTWYNZAZFQS-LJQANCHMSA-N 1 2 420.494 3.365 50 0 HGAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2nsnc2c1 ZINC000013324572 569254982 /nfs/dbraw/zinc/25/49/82/569254982.db2.gz XJULUMJNSNMNGG-UHFFFAOYSA-N 1 2 421.448 3.471 50 0 HGAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCO2 ZINC000089779508 569263927 /nfs/dbraw/zinc/26/39/27/569263927.db2.gz UMNAGYMHSSCLMI-UHFFFAOYSA-N 1 2 407.392 3.195 50 0 HGAALO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C[C@H]1C ZINC000252512770 569292092 /nfs/dbraw/zinc/29/20/92/569292092.db2.gz VKGQRORNDPCRHO-QZTJIDSGSA-N 1 2 400.544 3.215 50 0 HGAALO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C[C@H]1C ZINC000252512770 569292093 /nfs/dbraw/zinc/29/20/93/569292093.db2.gz VKGQRORNDPCRHO-QZTJIDSGSA-N 1 2 400.544 3.215 50 0 HGAALO CC(=O)c1cc2c(cc1NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)OCO2 ZINC000007927452 569327550 /nfs/dbraw/zinc/32/75/50/569327550.db2.gz ZJYWWMQZOHGZRQ-OAHLLOKOSA-N 1 2 416.499 3.299 50 0 HGAALO CC(=O)c1cc2c(cc1NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1)OCO2 ZINC000007927452 569327551 /nfs/dbraw/zinc/32/75/51/569327551.db2.gz ZJYWWMQZOHGZRQ-OAHLLOKOSA-N 1 2 416.499 3.299 50 0 HGAALO COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCSCC2)cc1Cl ZINC000253400152 569365547 /nfs/dbraw/zinc/36/55/47/569365547.db2.gz KURUYPBCTGFTTH-OAHLLOKOSA-N 1 2 416.952 3.010 50 0 HGAALO COc1cc(OC)c2[nH]c(C)c(C[NH+]3CCN(Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019793369 569430028 /nfs/dbraw/zinc/43/00/28/569430028.db2.gz ZPYWOXWZDLOEMI-UHFFFAOYSA-N 1 2 407.514 3.172 50 0 HGAALO Cc1ccc2[nH+]c(COC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)cn2c1 ZINC000008482723 571055100 /nfs/dbraw/zinc/05/51/00/571055100.db2.gz GGRXFHAJRWHSON-UHFFFAOYSA-N 1 2 401.488 3.029 50 0 HGAALO O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N1CCc2[nH]c[nH+]c2C1 ZINC000008765475 571115316 /nfs/dbraw/zinc/11/53/16/571115316.db2.gz HCCGXNVIYFTNLL-UHFFFAOYSA-N 1 2 401.422 3.147 50 0 biogenic HGAALO O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N1CCc2[nH+]c[nH]c2C1 ZINC000008765475 571115320 /nfs/dbraw/zinc/11/53/20/571115320.db2.gz HCCGXNVIYFTNLL-UHFFFAOYSA-N 1 2 401.422 3.147 50 0 biogenic HGAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000040015858 571138696 /nfs/dbraw/zinc/13/86/96/571138696.db2.gz XZWVYAIDXLHMQX-PZJWPPBQSA-N 1 2 420.488 3.317 50 0 HGAALO O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000040082846 571156569 /nfs/dbraw/zinc/15/65/69/571156569.db2.gz BAVUMIDCAXVONH-UHFFFAOYSA-N 1 2 420.904 3.336 50 0 HGAALO O=C(Cc1csc(Cc2ccccc2)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000040088813 571158901 /nfs/dbraw/zinc/15/89/01/571158901.db2.gz NKAQAIUHHDDHCM-UHFFFAOYSA-N 1 2 421.566 3.500 50 0 HGAALO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[NH+](Cc2ccco2)CC1 ZINC000040103724 571164537 /nfs/dbraw/zinc/16/45/37/571164537.db2.gz SZNLZUKCLOCVJU-UHFFFAOYSA-N 1 2 422.279 3.163 50 0 HGAALO O=S(=O)(c1ccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)o1)N1CCCC1 ZINC000040115563 571173516 /nfs/dbraw/zinc/17/35/16/571173516.db2.gz LIGQDGWSLQFLCI-MRXNPFEDSA-N 1 2 410.561 3.307 50 0 HGAALO O=S(=O)(c1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)o1)N1CCCC1 ZINC000040115563 571173519 /nfs/dbraw/zinc/17/35/19/571173519.db2.gz LIGQDGWSLQFLCI-MRXNPFEDSA-N 1 2 410.561 3.307 50 0 HGAALO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(-n3cccn3)nc2)C[C@H](C)O1 ZINC000040145363 571195433 /nfs/dbraw/zinc/19/54/33/571195433.db2.gz CXIBUNPMNGROPD-ROUUACIJSA-N 1 2 420.517 3.198 50 0 HGAALO O=C(C[N@@H+](Cc1ccccc1)CC1CCC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000069947651 571250740 /nfs/dbraw/zinc/25/07/40/571250740.db2.gz ZKZIHIUTUFRIIK-QFIPXVFZSA-N 1 2 418.603 3.247 50 0 HGAALO O=C(C[N@H+](Cc1ccccc1)CC1CCC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000069947651 571250741 /nfs/dbraw/zinc/25/07/41/571250741.db2.gz ZKZIHIUTUFRIIK-QFIPXVFZSA-N 1 2 418.603 3.247 50 0 HGAALO O=C(c1cccn1Cc1ccncc1)N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069971304 571251800 /nfs/dbraw/zinc/25/18/00/571251800.db2.gz DXTSVHDMRRBSJP-UHFFFAOYSA-N 1 2 400.486 3.160 50 0 HGAALO C[C@H](CN1CCCC1=O)NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000070019349 571254588 /nfs/dbraw/zinc/25/45/88/571254588.db2.gz WMBRWLJVNYODRN-MRXNPFEDSA-N 1 2 408.527 3.367 50 0 HGAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NC1CC1 ZINC000009575979 571269674 /nfs/dbraw/zinc/26/96/74/571269674.db2.gz OWPNPVTXBYZOCK-FQEVSTJZSA-N 1 2 421.497 3.126 50 0 HGAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NC1CC1 ZINC000009575979 571269675 /nfs/dbraw/zinc/26/96/75/571269675.db2.gz OWPNPVTXBYZOCK-FQEVSTJZSA-N 1 2 421.497 3.126 50 0 HGAALO O=C(C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1)NCc1ccccc1Cl ZINC000077198075 571312699 /nfs/dbraw/zinc/31/26/99/571312699.db2.gz KZNWSJYMCCZAEI-UHFFFAOYSA-N 1 2 402.804 3.238 50 0 HGAALO O=C(NCc1cccnc1)c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000034668417 571316359 /nfs/dbraw/zinc/31/63/59/571316359.db2.gz CYZRCFHQWKZMBW-UHFFFAOYSA-N 1 2 404.489 3.473 50 0 HGAALO CCN1C[C@@H](C[N@H+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2)Oc2ccccc21 ZINC000009836090 132343651 /nfs/dbraw/zinc/34/36/51/132343651.db2.gz XCGTUMPOHRYVDB-HXUWFJFHSA-N 1 2 419.529 3.339 50 0 HGAALO CCN1C[C@@H](C[N@@H+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2)Oc2ccccc21 ZINC000009836090 132343653 /nfs/dbraw/zinc/34/36/53/132343653.db2.gz XCGTUMPOHRYVDB-HXUWFJFHSA-N 1 2 419.529 3.339 50 0 HGAALO O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000009883752 132343913 /nfs/dbraw/zinc/34/39/13/132343913.db2.gz AOYSGPXHFVABNJ-QFIPXVFZSA-N 1 2 413.477 3.498 50 0 HGAALO CCOC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000012600659 132364974 /nfs/dbraw/zinc/36/49/74/132364974.db2.gz ULUQUMJFDQUJRZ-SFHVURJKSA-N 1 2 418.921 3.079 50 0 HGAALO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2N2CCCCC2)NC(=O)N[C@H]1CC ZINC000012637117 132365634 /nfs/dbraw/zinc/36/56/34/132365634.db2.gz AZKYCFYVAZYGNW-SFHVURJKSA-N 1 2 414.550 3.017 50 0 HGAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2N2CCCCC2)NC(=O)N[C@H]1CC ZINC000012637117 132365635 /nfs/dbraw/zinc/36/56/35/132365635.db2.gz AZKYCFYVAZYGNW-SFHVURJKSA-N 1 2 414.550 3.017 50 0 HGAALO Cc1cc(N2CCN(CC(=O)NCc3ccccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012754090 132366635 /nfs/dbraw/zinc/36/66/35/132366635.db2.gz FFBJOMPZZCGESR-UHFFFAOYSA-N 1 2 401.942 3.000 50 0 HGAALO COc1cc(C[N@H+](C)[C@H](C(=O)N2CCOCC2)c2ccccc2)ccc1OC(F)F ZINC000032751367 522355718 /nfs/dbraw/zinc/35/57/18/522355718.db2.gz XEEGLZVGWXNSCL-FQEVSTJZSA-N 1 2 420.456 3.329 50 0 HGAALO COc1cc(C[N@@H+](C)[C@H](C(=O)N2CCOCC2)c2ccccc2)ccc1OC(F)F ZINC000032751367 522355725 /nfs/dbraw/zinc/35/57/25/522355725.db2.gz XEEGLZVGWXNSCL-FQEVSTJZSA-N 1 2 420.456 3.329 50 0 HGAALO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000032865332 524151843 /nfs/dbraw/zinc/15/18/43/524151843.db2.gz HFCXTDIVFCPQGA-MRXNPFEDSA-N 1 2 421.588 3.135 50 0 HGAALO CS(=O)(=O)c1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032902479 525276204 /nfs/dbraw/zinc/27/62/04/525276204.db2.gz APKNBXKVKJADHJ-SFHVURJKSA-N 1 2 406.935 3.310 50 0 HGAALO C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000032465505 525506831 /nfs/dbraw/zinc/50/68/31/525506831.db2.gz DEKGEILKCHVJNC-LBPRGKRZSA-N 1 2 418.494 3.305 50 0 HGAALO Cc1ccn2c(=O)cc(C[NH+]3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc2c1 ZINC000032718930 525606790 /nfs/dbraw/zinc/60/67/90/525606790.db2.gz ANMMARDRRIIBLD-UHFFFAOYSA-N 1 2 416.447 3.340 50 0 HGAALO Cc1ccn2c(=O)cc(CN3CC[NH+](Cc4cccc(C(F)(F)F)c4)CC3)nc2c1 ZINC000032718930 525606800 /nfs/dbraw/zinc/60/68/00/525606800.db2.gz ANMMARDRRIIBLD-UHFFFAOYSA-N 1 2 416.447 3.340 50 0 HGAALO C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000041896430 526005200 /nfs/dbraw/zinc/00/52/00/526005200.db2.gz MLCOWHGGHLIOOY-AWEZNQCLSA-N 1 2 410.465 3.320 50 0 HGAALO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000054004013 526566032 /nfs/dbraw/zinc/56/60/32/526566032.db2.gz JKTAOYBTQORWDS-FQEVSTJZSA-N 1 2 408.995 3.476 50 0 HGAALO O=C(COc1ccc(OCc2ccccc2)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000032721382 526965066 /nfs/dbraw/zinc/96/50/66/526965066.db2.gz CDBDQPSONIDUKA-UHFFFAOYSA-N 1 2 417.509 3.384 50 0 HGAALO O=C1c2cccc3c2c(nn3CN2CC[NH+](Cc3ccncc3)CC2)-c2ccccc21 ZINC000032803755 527126358 /nfs/dbraw/zinc/12/63/58/527126358.db2.gz ZPMRKCRAAAXLKR-UHFFFAOYSA-N 1 2 409.493 3.418 50 0 HGAALO O=C(Nc1nccs1)C1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000040149352 527524782 /nfs/dbraw/zinc/52/47/82/527524782.db2.gz CCRRDDOBWMYINS-UHFFFAOYSA-N 1 2 405.487 3.127 50 0 HGAALO CCN(C)C(=O)c1cccc(CSc2nc(N3CCOCC3)c(C)c(C)[nH+]2)c1 ZINC000006868749 535742746 /nfs/dbraw/zinc/74/27/46/535742746.db2.gz QFSHMJHECZKABB-UHFFFAOYSA-N 1 2 400.548 3.314 50 0 HGAALO CCNC(=O)NC[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000034857476 557477622 /nfs/dbraw/zinc/47/76/22/557477622.db2.gz AQLXZCYWVVEPNF-FQEVSTJZSA-N 1 2 413.518 3.131 50 0 HGAALO CCNC(=O)NC[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000034857476 557477624 /nfs/dbraw/zinc/47/76/24/557477624.db2.gz AQLXZCYWVVEPNF-FQEVSTJZSA-N 1 2 413.518 3.131 50 0 HGAALO CCOC(=O)N1CC[NH+]([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697225 557784093 /nfs/dbraw/zinc/78/40/93/557784093.db2.gz WKXBWZJSAITARH-OAQYLSRUSA-N 1 2 413.518 3.054 50 0 HGAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccc(F)cc3s2)no1 ZINC000022768260 557818635 /nfs/dbraw/zinc/81/86/35/557818635.db2.gz FLZAJGDMMNYIKX-UHFFFAOYSA-N 1 2 404.467 3.101 50 0 HGAALO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907391 557852395 /nfs/dbraw/zinc/85/23/95/557852395.db2.gz BQAFHCXVYCIKKA-OAQYLSRUSA-N 1 2 419.481 3.143 50 0 HGAALO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907391 557852397 /nfs/dbraw/zinc/85/23/97/557852397.db2.gz BQAFHCXVYCIKKA-OAQYLSRUSA-N 1 2 419.481 3.143 50 0 HGAALO COc1ccc(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)c(OC)c1 ZINC000019781569 558281088 /nfs/dbraw/zinc/28/10/88/558281088.db2.gz AJPCFCQVMFENRG-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO COc1ccc(CN2CC[NH+](Cc3cc(OC)c(OC)cc3OC)CC2)c(OC)c1 ZINC000019781569 558281090 /nfs/dbraw/zinc/28/10/90/558281090.db2.gz AJPCFCQVMFENRG-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO O=C(CC[NH+]1CCOCC1)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000019789831 558282133 /nfs/dbraw/zinc/28/21/33/558282133.db2.gz YXKYQRDESDMWAN-HXUWFJFHSA-N 1 2 406.526 3.082 50 0 HGAALO Cc1cccn2c(C[NH2+]Cc3cn4ccsc4n3)c(C(=O)N3CCCCC3)nc12 ZINC000011819140 558282418 /nfs/dbraw/zinc/28/24/18/558282418.db2.gz HOKFZJPWEQEBGT-UHFFFAOYSA-N 1 2 408.531 3.268 50 0 HGAALO CCc1[nH+]c(C)ccc1OCC(=O)N1CCC[C@](CO)(CCOc2ccccc2)C1 ZINC000011822066 558285031 /nfs/dbraw/zinc/28/50/31/558285031.db2.gz OFGVWQKMCMFSFD-DEOSSOPVSA-N 1 2 412.530 3.401 50 0 HGAALO CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC[C@H](O)C[NH+]3CCOCC3)cc21 ZINC000019810304 558286614 /nfs/dbraw/zinc/28/66/14/558286614.db2.gz WVABONJOWJOYLA-HXUWFJFHSA-N 1 2 408.498 3.213 50 0 HGAALO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)no2)cc1OC ZINC000020137527 558337744 /nfs/dbraw/zinc/33/77/44/558337744.db2.gz IOYFKLXSLFLPPW-UHFFFAOYSA-N 1 2 407.470 3.317 50 0 HGAALO CCOc1ccccc1CN1CC[N@H+](Cc2ccc3nsnc3c2)C[C@@H]1CCO ZINC000020256573 558352107 /nfs/dbraw/zinc/35/21/07/558352107.db2.gz ZJNNUZSBMIYMJT-IBGZPJMESA-N 1 2 412.559 3.159 50 0 HGAALO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc3nsnc3c2)C[C@@H]1CCO ZINC000020256573 558352110 /nfs/dbraw/zinc/35/21/10/558352110.db2.gz ZJNNUZSBMIYMJT-IBGZPJMESA-N 1 2 412.559 3.159 50 0 HGAALO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020352637 558356865 /nfs/dbraw/zinc/35/68/65/558356865.db2.gz KZZWQARPRYJJFF-INIZCTEOSA-N 1 2 416.905 3.489 50 0 HGAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000022928904 558365324 /nfs/dbraw/zinc/36/53/24/558365324.db2.gz PANHQWMOSYVCBO-RTWAWAEBSA-N 1 2 422.573 3.125 50 0 HGAALO Cc1cc(C[NH+]2CCC(Oc3cccc(C(=O)NCc4cccnc4)c3)CC2)n[nH]1 ZINC000012432007 558406388 /nfs/dbraw/zinc/40/63/88/558406388.db2.gz XGCFOVMSVZNLMV-UHFFFAOYSA-N 1 2 405.502 3.087 50 0 HGAALO C[C@H]1CN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000004341684 558425248 /nfs/dbraw/zinc/42/52/48/558425248.db2.gz AWQJXMQKFDXELH-STQMWFEESA-N 1 2 417.922 3.197 50 0 HGAALO CCc1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2cc(OC)cc(OC)c2)cc1 ZINC000010748645 558436307 /nfs/dbraw/zinc/43/63/07/558436307.db2.gz BDNBIPWUKILSBF-HXUWFJFHSA-N 1 2 415.515 3.068 50 0 HGAALO CC(C)(CNC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)[NH+]1CCOCC1 ZINC000022025338 558458784 /nfs/dbraw/zinc/45/87/84/558458784.db2.gz MXELLLJYMLLNGQ-UHFFFAOYSA-N 1 2 410.543 3.441 50 0 HGAALO C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022039675 558459485 /nfs/dbraw/zinc/45/94/85/558459485.db2.gz KOYUNFXSWDKDDZ-XMSQKQJNSA-N 1 2 421.541 3.115 50 0 HGAALO C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022039675 558459488 /nfs/dbraw/zinc/45/94/88/558459488.db2.gz KOYUNFXSWDKDDZ-XMSQKQJNSA-N 1 2 421.541 3.115 50 0 HGAALO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022238288 558471404 /nfs/dbraw/zinc/47/14/04/558471404.db2.gz ZVDVUKRLCBLQTK-FQEVSTJZSA-N 1 2 414.575 3.451 50 0 HGAALO CCOc1cc2c(cc1NC(=O)CN1CC[NH+](Cc3ccsc3)CC1)O[C@H](C)C2 ZINC000022849180 558516525 /nfs/dbraw/zinc/51/65/25/558516525.db2.gz XTULRLXGOXETMV-MRXNPFEDSA-N 1 2 415.559 3.227 50 0 HGAALO O=C(Nc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1)c1ccco1 ZINC000023873188 558579169 /nfs/dbraw/zinc/57/91/69/558579169.db2.gz SVMUKOQCQSKLKE-OAQYLSRUSA-N 1 2 419.481 3.335 50 0 HGAALO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000024193349 558591674 /nfs/dbraw/zinc/59/16/74/558591674.db2.gz CJHACULVYWISTK-UHFFFAOYSA-N 1 2 401.919 3.395 50 0 HGAALO O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000024193355 558591724 /nfs/dbraw/zinc/59/17/24/558591724.db2.gz AZXUEHPOFIPFJR-UHFFFAOYSA-N 1 2 401.919 3.395 50 0 HGAALO Cc1sc2nc(-c3cccs3)nc(N3CC[NH+](CC(=O)N(C)C)CC3)c2c1C ZINC000014187390 558631660 /nfs/dbraw/zinc/63/16/60/558631660.db2.gz IIQWWVKEQDUPPN-UHFFFAOYSA-N 1 2 415.588 3.247 50 0 HGAALO O=C(c1ccc(CN2CCCC2=O)cc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000025455390 558641580 /nfs/dbraw/zinc/64/15/80/558641580.db2.gz ZMLROZPCKOSWSQ-UHFFFAOYSA-N 1 2 411.933 3.420 50 0 HGAALO CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000025528033 558642641 /nfs/dbraw/zinc/64/26/41/558642641.db2.gz FLBRGTIWSFKEBB-VBSWXYJSSA-N 1 2 422.573 3.350 50 0 HGAALO O=C(c1cn(Cc2ccccc2Cl)nc1-c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000025637998 558646754 /nfs/dbraw/zinc/64/67/54/558646754.db2.gz MBQNGOGLLKGOTO-UHFFFAOYSA-N 1 2 424.932 3.002 50 0 HGAALO O=C(C[NH+]1CCC(NC(=O)NCCc2cccc(Cl)c2)CC1)Nc1ccccc1 ZINC000026282922 558658246 /nfs/dbraw/zinc/65/82/46/558658246.db2.gz UUEBCSKQGLNSRD-UHFFFAOYSA-N 1 2 414.937 3.285 50 0 HGAALO O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000026303041 558658568 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3.110 50 0 HGAALO O=c1c2ccccc2nc(SCC[NH+]2CCOCC2)n1-c1ccccc1Cl ZINC000015274886 558730147 /nfs/dbraw/zinc/73/01/47/558730147.db2.gz HOHPJQHYKRBAGR-UHFFFAOYSA-N 1 2 401.919 3.463 50 0 HGAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)Nc1cc(C)nn1C)CC2 ZINC000015593997 558745649 /nfs/dbraw/zinc/74/56/49/558745649.db2.gz YMGSUIHAVXIWEJ-XMMPIXPASA-N 1 2 420.513 3.332 50 0 HGAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1cc(C)nn1C)CC2 ZINC000015593997 558745651 /nfs/dbraw/zinc/74/56/51/558745651.db2.gz YMGSUIHAVXIWEJ-XMMPIXPASA-N 1 2 420.513 3.332 50 0 HGAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(C)c1 ZINC000020491729 558762266 /nfs/dbraw/zinc/76/22/66/558762266.db2.gz NXVKYTAUWFANCS-UHFFFAOYSA-N 1 2 403.504 3.281 50 0 HGAALO COCCN(Cc1cccnc1)C(=O)[C@@H](c1cc(Br)cs1)[NH+](C)C ZINC000072307117 558766627 /nfs/dbraw/zinc/76/66/27/558766627.db2.gz BJXTYQNQUKSSNM-MRXNPFEDSA-N 1 2 412.353 3.184 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[NH+]1CCC3(CC1)OCCO3)S2 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CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)Nc4ccc(C)cc4)CC3)c2c1 ZINC000033088040 558869840 /nfs/dbraw/zinc/86/98/40/558869840.db2.gz SQCRRDNUWLDYDG-UHFFFAOYSA-N 1 2 419.525 3.420 50 0 HGAALO CC(=O)c1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000055035721 558869960 /nfs/dbraw/zinc/86/99/60/558869960.db2.gz QJVWKXIRFHIZTM-LJQANCHMSA-N 1 2 409.505 3.455 50 0 HGAALO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000057050824 558887276 /nfs/dbraw/zinc/88/72/76/558887276.db2.gz QPRAMEDGVAMCER-UHFFFAOYSA-N 1 2 406.486 3.024 50 0 HGAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000058102774 558899140 /nfs/dbraw/zinc/89/91/40/558899140.db2.gz SFAUHHOMDFZKIE-UHFFFAOYSA-N 1 2 421.457 3.085 50 0 HGAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3nccc(OC)c3OC)C2)cc1OC ZINC000071524636 558904566 /nfs/dbraw/zinc/90/45/66/558904566.db2.gz UFFLXCNQBKFYGG-INIZCTEOSA-N 1 2 400.475 3.211 50 0 HGAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3nccc(OC)c3OC)C2)cc1OC ZINC000071524636 558904569 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50 0 HGAALO O=C(/C=C\c1ccccc1)N1CCC(C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000096861334 558991592 /nfs/dbraw/zinc/99/15/92/558991592.db2.gz IZDFXCYIBCBJIR-HJWRWDBZSA-N 1 2 423.582 3.344 50 0 HGAALO CCOC(=O)C1CC[NH+]([C@H](c2ccc(F)cc2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000023157469 559022426 /nfs/dbraw/zinc/02/24/26/559022426.db2.gz PHNHPXURGLYWDY-MRXNPFEDSA-N 1 2 418.494 3.308 50 0 HGAALO CC(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C1 ZINC000023189165 559032200 /nfs/dbraw/zinc/03/22/00/559032200.db2.gz MREKQBNUWHBZKB-FUHWJXTLSA-N 1 2 402.926 3.174 50 0 HGAALO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000011440044 559076234 /nfs/dbraw/zinc/07/62/34/559076234.db2.gz BJZRGACRKVVRBX-HXUWFJFHSA-N 1 2 412.486 3.290 50 0 HGAALO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000011440044 559076236 /nfs/dbraw/zinc/07/62/36/559076236.db2.gz BJZRGACRKVVRBX-HXUWFJFHSA-N 1 2 412.486 3.290 50 0 HGAALO O=C(Cc1c[nH+]c[nH]1)N1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1 ZINC000095518474 559084792 /nfs/dbraw/zinc/08/47/92/559084792.db2.gz FFFUMPPHEXOIBB-UHFFFAOYSA-N 1 2 400.482 3.207 50 0 HGAALO COc1cccc(N2CC[NH+]([C@@H]3CC(=O)N(c4cccc5ccccc54)C3=O)CC2)c1 ZINC000096299668 559108927 /nfs/dbraw/zinc/10/89/27/559108927.db2.gz YQJFVIQUEDCEIU-HSZRJFAPSA-N 1 2 415.493 3.303 50 0 HGAALO Cc1cc2[nH+]cn([C@@H]3CC(=O)N(Cc4ccc(N5CCCC5=O)cc4)C3=O)c2cc1C ZINC000100147284 559164287 /nfs/dbraw/zinc/16/42/87/559164287.db2.gz NNLTXDVKHDAIBQ-OAQYLSRUSA-N 1 2 416.481 3.280 50 0 HGAALO CCCNC(=O)CSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccc(OC)cc1 ZINC000005084823 559242454 /nfs/dbraw/zinc/24/24/54/559242454.db2.gz VZWYQBIUECXXCG-INIZCTEOSA-N 1 2 417.579 3.441 50 0 HGAALO COc1ccc2[nH]c(C(=O)Nc3cccc(OCC[NH+]4CCOCC4)c3)c(C)c2c1 ZINC000409415198 559251173 /nfs/dbraw/zinc/25/11/73/559251173.db2.gz WOFACRJTJHOKQY-UHFFFAOYSA-N 1 2 409.486 3.448 50 0 HGAALO COC(=O)c1cn([C@H](CCSC)c2[nH+]c3ccccc3n2C)cc2c(=O)[nH]nc1-2 ZINC000409415594 559251252 /nfs/dbraw/zinc/25/12/52/559251252.db2.gz 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/nfs/dbraw/zinc/07/24/88/569072488.db2.gz HTYVFCDJWZLQBI-UHFFFAOYSA-N 1 2 403.548 3.458 50 0 HGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CCC[C@@](C)(CO)C3)csc2C1 ZINC000426419972 569072903 /nfs/dbraw/zinc/07/29/03/569072903.db2.gz CIPYDFZZJKOCEQ-OAQYLSRUSA-N 1 2 403.548 3.146 50 0 HGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CCC[C@@](C)(CO)C3)csc2C1 ZINC000426419972 569072904 /nfs/dbraw/zinc/07/29/04/569072904.db2.gz CIPYDFZZJKOCEQ-OAQYLSRUSA-N 1 2 403.548 3.146 50 0 HGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCc4cnn(CC)c4)csc3C2)nc1 ZINC000426667287 569073825 /nfs/dbraw/zinc/07/38/25/569073825.db2.gz ACUZNUMATCACJO-UHFFFAOYSA-N 1 2 409.559 3.410 50 0 HGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4cnn(CC)c4)csc3C2)nc1 ZINC000426667287 569073826 /nfs/dbraw/zinc/07/38/26/569073826.db2.gz ACUZNUMATCACJO-UHFFFAOYSA-N 1 2 409.559 3.410 50 0 HGAALO CCc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)nc2cc(-c3cccs3)nn21 ZINC000064760258 569091131 /nfs/dbraw/zinc/09/11/31/569091131.db2.gz NLZBPFWRWRCWRX-UHFFFAOYSA-N 1 2 418.526 3.378 50 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/nfs/dbraw/zinc/16/85/22/569168522.db2.gz NLOWXXCCGLAQHK-FQEVSTJZSA-N 1 2 405.589 3.130 50 0 HGAALO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036394678 569168523 /nfs/dbraw/zinc/16/85/23/569168523.db2.gz NLOWXXCCGLAQHK-FQEVSTJZSA-N 1 2 405.589 3.130 50 0 HGAALO CCOc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)N1CC[NH+](C)CC1 ZINC000007001718 569198831 /nfs/dbraw/zinc/19/88/31/569198831.db2.gz CQXBFZDTRBGXJJ-UHFFFAOYSA-N 1 2 407.470 3.471 50 0 HGAALO CC1CCN(c2cc(-n3cnc(C(=O)NCc4ccc(F)cc4F)c3)nc[nH+]2)CC1 ZINC000065239888 569203670 /nfs/dbraw/zinc/20/36/70/569203670.db2.gz MJWKPEOLXQCPGT-UHFFFAOYSA-N 1 2 412.444 3.107 50 0 HGAALO Cc1cc(C)c(S(=O)(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1C ZINC000036700265 569222688 /nfs/dbraw/zinc/22/26/88/569222688.db2.gz FBWLSNKCVWKCRT-NRFANRHFSA-N 1 2 402.560 3.354 50 0 HGAALO Cc1cc(C)c(S(=O)(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1C ZINC000036700265 569222689 /nfs/dbraw/zinc/22/26/89/569222689.db2.gz FBWLSNKCVWKCRT-NRFANRHFSA-N 1 2 402.560 3.354 50 0 HGAALO C[C@@H](NC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)c1ccco1 ZINC000007318519 569233378 /nfs/dbraw/zinc/23/33/78/569233378.db2.gz RBBKNVBIRFEDFD-MRXNPFEDSA-N 1 2 411.531 3.426 50 0 HGAALO CCOC(=O)C1=C(C[N@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)NC(=O)N[C@H]1C ZINC000037116071 569237427 /nfs/dbraw/zinc/23/74/27/569237427.db2.gz GOHLCEDCABWBBI-BTYIYWSLSA-N 1 2 411.477 3.365 50 0 HGAALO CCOC(=O)C1=C(C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)NC(=O)N[C@H]1C ZINC000037116071 569237428 /nfs/dbraw/zinc/23/74/28/569237428.db2.gz GOHLCEDCABWBBI-BTYIYWSLSA-N 1 2 411.477 3.365 50 0 HGAALO CC(C)[C@H](CNC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C)[NH+]1CCOCC1 ZINC000089941477 569269221 /nfs/dbraw/zinc/26/92/21/569269221.db2.gz MMXKIBYJWWPKCD-GCJKJVERSA-N 1 2 411.546 3.317 50 0 HGAALO CC(=O)c1cc2c(cc1NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)OCO2 ZINC000007927451 569327451 /nfs/dbraw/zinc/32/74/51/569327451.db2.gz ZJYWWMQZOHGZRQ-HNNXBMFYSA-N 1 2 416.499 3.299 50 0 HGAALO CC(=O)c1cc2c(cc1NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)OCO2 ZINC000007927451 569327453 /nfs/dbraw/zinc/32/74/53/569327453.db2.gz ZJYWWMQZOHGZRQ-HNNXBMFYSA-N 1 2 416.499 3.299 50 0 HGAALO COc1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000253425510 569368199 /nfs/dbraw/zinc/36/81/99/569368199.db2.gz UKRHLCUNDWTCIN-MRXNPFEDSA-N 1 2 415.494 3.255 50 0 HGAALO COc1cc2c3c(c1)C(C[NH+]1CCN(c4ccccc4)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000253495879 569381818 /nfs/dbraw/zinc/38/18/18/569381818.db2.gz UICNWJMZWWELIG-UHFFFAOYSA-N 1 2 417.509 3.222 50 0 HGAALO O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Oc4cc[nH+]cc4)cc3)cc2c(=O)[nH]1 ZINC000253537713 569382935 /nfs/dbraw/zinc/38/29/35/569382935.db2.gz OMPBQYXKPNFJKM-UHFFFAOYSA-N 1 2 410.411 3.029 50 0 HGAALO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(C)=O)[N@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000002430179 569398928 /nfs/dbraw/zinc/39/89/28/569398928.db2.gz ULBVRRNILONBHC-ANULTFPQSA-N 1 2 422.868 3.453 50 0 HGAALO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(C)=O)[N@@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000002430179 569398929 /nfs/dbraw/zinc/39/89/29/569398929.db2.gz ULBVRRNILONBHC-ANULTFPQSA-N 1 2 422.868 3.453 50 0 HGAALO CCC[C@@H](C(=O)N[C@@H]1CCc2c1cccc2O)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078971966 569422614 /nfs/dbraw/zinc/42/26/14/569422614.db2.gz INCBAPQXAZRLIM-MOPGFXCFSA-N 1 2 417.550 3.217 50 0 HGAALO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000079065367 569426498 /nfs/dbraw/zinc/42/64/98/569426498.db2.gz DABVJFJETSTHJD-QGZVFWFLSA-N 1 2 400.954 3.407 50 0 HGAALO C[C@H](C(=O)N1CCCCC1)N1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000079065367 569426500 /nfs/dbraw/zinc/42/65/00/569426500.db2.gz DABVJFJETSTHJD-QGZVFWFLSA-N 1 2 400.954 3.407 50 0 HGAALO COc1cccc([C@H](NC(=O)NCc2cnn(-c3ccccc3)c2)c2[nH+]ccn2C)c1 ZINC000040071901 571152646 /nfs/dbraw/zinc/15/26/46/571152646.db2.gz IACHWTVFFKLPOT-NRFANRHFSA-N 1 2 416.485 3.203 50 0 HGAALO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000040072663 571153263 /nfs/dbraw/zinc/15/32/63/571153263.db2.gz CKUCTSYXMWTVQS-UHFFFAOYSA-N 1 2 403.910 3.165 50 0 HGAALO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000040072663 571153264 /nfs/dbraw/zinc/15/32/64/571153264.db2.gz CKUCTSYXMWTVQS-UHFFFAOYSA-N 1 2 403.910 3.165 50 0 HGAALO CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)N=C(c1cccc(Cl)c1)C(=O)N2 ZINC000009526860 571266079 /nfs/dbraw/zinc/26/60/79/571266079.db2.gz RZSVFRSZEGECLS-UHFFFAOYSA-N 1 2 424.932 3.252 50 0 biogenic HGAALO COc1ccc(C)cc1C[N@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000009976212 571293427 /nfs/dbraw/zinc/29/34/27/571293427.db2.gz GDAZNMQMWKJTJL-UHFFFAOYSA-N 1 2 409.530 3.313 50 0 HGAALO COc1ccc(C)cc1C[N@@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000009976212 571293428 /nfs/dbraw/zinc/29/34/28/571293428.db2.gz GDAZNMQMWKJTJL-UHFFFAOYSA-N 1 2 409.530 3.313 50 0 HGAALO O=C(Nc1cnc(N2CCN(c3cccc[nH+]3)CC2)nc1)c1c(F)cccc1Cl ZINC000077196634 571312397 /nfs/dbraw/zinc/31/23/97/571312397.db2.gz UIXRSZDVLGHFCU-UHFFFAOYSA-N 1 2 412.856 3.243 50 0 HGAALO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000002709682 132256915 /nfs/dbraw/zinc/25/69/15/132256915.db2.gz RJAPZZNJUABBLC-QFIPXVFZSA-N 1 2 412.530 3.077 50 0 HGAALO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000009546741 132340993 /nfs/dbraw/zinc/34/09/93/132340993.db2.gz YPVCUPBTNNHGBJ-NRFANRHFSA-N 1 2 417.557 3.101 50 0 HGAALO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000009546741 132340995 /nfs/dbraw/zinc/34/09/95/132340995.db2.gz YPVCUPBTNNHGBJ-NRFANRHFSA-N 1 2 417.557 3.101 50 0 HGAALO Cc1c[nH]c(CNC(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)[nH+]1 ZINC000011936775 132352394 /nfs/dbraw/zinc/35/23/94/132352394.db2.gz QJRCEVOCUMICFB-GOSISDBHSA-N 1 2 416.529 3.197 50 0 HGAALO Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c(C)o1 ZINC000012111870 132354174 /nfs/dbraw/zinc/35/41/74/132354174.db2.gz KXQWWLQRGSGNJN-HXUWFJFHSA-N 1 2 424.545 3.273 50 0 HGAALO CC(C)CNC(=O)C[NH+]1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000012776296 132367043 /nfs/dbraw/zinc/36/70/43/132367043.db2.gz RECGVXNATGDMMX-UHFFFAOYSA-N 1 2 409.559 3.253 50 0 HGAALO Cc1cc(N2CCN(CC(=O)Nc3ccc(Cl)cc3F)CC2)nc(C(C)C)[nH+]1 ZINC000012807552 132367502 /nfs/dbraw/zinc/36/75/02/132367502.db2.gz HZYCRDHVDANJFU-UHFFFAOYSA-N 1 2 405.905 3.462 50 0 HGAALO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000024894287 132485082 /nfs/dbraw/zinc/48/50/82/132485082.db2.gz GYEZXWVUDROMLX-HNNXBMFYSA-N 1 2 407.543 3.147 50 0 HGAALO CCCCOc1ccc(C(=O)N2CC[NH+](CCNC(=O)c3ccsc3)CC2)cc1 ZINC000042382983 520864963 /nfs/dbraw/zinc/86/49/63/520864963.db2.gz WYBWELQHKAWNPN-UHFFFAOYSA-N 1 2 415.559 3.115 50 0 HGAALO COc1c2c(c(NC(=O)COc3ccccc3Cl)c3c1C[N@H+](C)CC3)OCO2 ZINC000032124380 521885338 /nfs/dbraw/zinc/88/53/38/521885338.db2.gz UFRIHBVQRHNOBH-UHFFFAOYSA-N 1 2 404.850 3.083 50 0 biogenic HGAALO COc1c2c(c(NC(=O)COc3ccccc3Cl)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032124380 521885347 /nfs/dbraw/zinc/88/53/47/521885347.db2.gz UFRIHBVQRHNOBH-UHFFFAOYSA-N 1 2 404.850 3.083 50 0 biogenic HGAALO COc1cc(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc(OC)c1 ZINC000020535242 522383150 /nfs/dbraw/zinc/38/31/50/522383150.db2.gz VZTBIYLJWIMUCY-NRFANRHFSA-N 1 2 414.546 3.090 50 0 HGAALO COc1cc(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc(OC)c1 ZINC000020535242 522383151 /nfs/dbraw/zinc/38/31/51/522383151.db2.gz VZTBIYLJWIMUCY-NRFANRHFSA-N 1 2 414.546 3.090 50 0 HGAALO C[N@H+](CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000032512307 522426726 /nfs/dbraw/zinc/42/67/26/522426726.db2.gz CKOCVRFKNNNDOY-RBBKRZOGSA-N 1 2 418.603 3.344 50 0 HGAALO C[N@@H+](CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000032512307 522426736 /nfs/dbraw/zinc/42/67/36/522426736.db2.gz CKOCVRFKNNNDOY-RBBKRZOGSA-N 1 2 418.603 3.344 50 0 HGAALO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1Cl ZINC000022805224 524495894 /nfs/dbraw/zinc/49/58/94/524495894.db2.gz RAFGHRWHFZUGSJ-UHFFFAOYSA-N 1 2 415.921 3.040 50 0 HGAALO C[C@@H](NC(=O)CCn1nc(-c2cccs2)oc1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547650 525097208 /nfs/dbraw/zinc/09/72/08/525097208.db2.gz KXFVJCIVGNRWQU-CQSZACIVSA-N 1 2 409.471 3.018 50 0 HGAALO C[C@@H](NC(=O)C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC1 ZINC000025355484 525103692 /nfs/dbraw/zinc/10/36/92/525103692.db2.gz WGJQSZBWEHIIMX-GFCCVEGCSA-N 1 2 404.864 3.181 50 0 HGAALO C[C@@H](NC(=O)C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC1 ZINC000025355484 525103695 /nfs/dbraw/zinc/10/36/95/525103695.db2.gz WGJQSZBWEHIIMX-GFCCVEGCSA-N 1 2 404.864 3.181 50 0 HGAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1OCc1ccccc1Br ZINC000045973187 526320280 /nfs/dbraw/zinc/32/02/80/526320280.db2.gz IPVRVCWJXVROAM-UHFFFAOYSA-N 1 2 419.319 3.090 50 0 HGAALO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccc(COCC(F)(F)F)cc1 ZINC000032803547 526451404 /nfs/dbraw/zinc/45/14/04/526451404.db2.gz QUGXNXMYOVYODX-UHFFFAOYSA-N 1 2 410.440 3.340 50 0 HGAALO O=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000032637848 526467175 /nfs/dbraw/zinc/46/71/75/526467175.db2.gz DTGWSYHHCFXKND-UHFFFAOYSA-N 1 2 406.486 3.212 50 0 HGAALO O=C(c1sccc1-n1cccc1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000032237589 526934122 /nfs/dbraw/zinc/93/41/22/526934122.db2.gz HRQBYCLVQVQITR-UHFFFAOYSA-N 1 2 409.511 3.268 50 0 HGAALO O=S(=O)(NCC1CCN(c2cccc[nH+]2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000043955349 527213828 /nfs/dbraw/zinc/21/38/28/527213828.db2.gz WKYIICFFFATDMS-UHFFFAOYSA-N 1 2 415.437 3.175 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1 ZINC000032899734 527450878 /nfs/dbraw/zinc/45/08/78/527450878.db2.gz IKNBKGLCRSOHOD-QHCPKHFHSA-N 1 2 415.497 3.043 50 0 HGAALO O=C(Nc1nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1)c1ccccc1F ZINC000040355970 527505103 /nfs/dbraw/zinc/50/51/03/527505103.db2.gz RGQNFGTXDQGRFS-UHFFFAOYSA-N 1 2 424.501 3.493 50 0 HGAALO CCNC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2c(F)cccc2Cl)CC1 ZINC000006776582 535791379 /nfs/dbraw/zinc/79/13/79/535791379.db2.gz WUASUYYXAHLWBY-UHFFFAOYSA-N 1 2 405.905 3.328 50 0 HGAALO COCC[N@H+]1C(c2ccccc2)=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)C2=C1CCCC2 ZINC000002692972 557741135 /nfs/dbraw/zinc/74/11/35/557741135.db2.gz WXVRVSPLZPMBJZ-UHFFFAOYSA-N 1 2 421.497 3.165 50 0 HGAALO COCC[N@@H+]1C(c2ccccc2)=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)C2=C1CCCC2 ZINC000002692972 557741137 /nfs/dbraw/zinc/74/11/37/557741137.db2.gz WXVRVSPLZPMBJZ-UHFFFAOYSA-N 1 2 421.497 3.165 50 0 HGAALO CCn1c(C)cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697146 557784004 /nfs/dbraw/zinc/78/40/04/557784004.db2.gz CDJMOYGVVOKEKJ-QHCPKHFHSA-N 1 2 422.504 3.328 50 0 HGAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000019723134 558259317 /nfs/dbraw/zinc/25/93/17/558259317.db2.gz VVWHCQWRJDFRAI-UHFFFAOYSA-N 1 2 414.502 3.069 50 0 HGAALO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000012137653 558334382 /nfs/dbraw/zinc/33/43/82/558334382.db2.gz XSGHPAGURVSXOQ-OAHLLOKOSA-N 1 2 401.894 3.134 50 0 HGAALO CCOc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020149409 558340341 /nfs/dbraw/zinc/34/03/41/558340341.db2.gz UGDIQQQLTVWJEI-UHFFFAOYSA-N 1 2 405.498 3.363 50 0 HGAALO COc1ccc(C[N@@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)c(F)c1 ZINC000020201922 558346123 /nfs/dbraw/zinc/34/61/23/558346123.db2.gz LMPKJMQMMGFAFN-KRWDZBQOSA-N 1 2 408.901 3.262 50 0 HGAALO COc1ccc(C[N@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)c(F)c1 ZINC000020201922 558346126 /nfs/dbraw/zinc/34/61/26/558346126.db2.gz LMPKJMQMMGFAFN-KRWDZBQOSA-N 1 2 408.901 3.262 50 0 HGAALO COc1ccc(CN2CC[N@H+](Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)c(F)c1 ZINC000020201922 558346128 /nfs/dbraw/zinc/34/61/28/558346128.db2.gz LMPKJMQMMGFAFN-KRWDZBQOSA-N 1 2 408.901 3.262 50 0 HGAALO COc1ccc(CN2CC[N@@H+](Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)c(F)c1 ZINC000020201922 558346129 /nfs/dbraw/zinc/34/61/29/558346129.db2.gz LMPKJMQMMGFAFN-KRWDZBQOSA-N 1 2 408.901 3.262 50 0 HGAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+]2CCN(CCO)CC2)cc1F ZINC000020204229 558346603 /nfs/dbraw/zinc/34/66/03/558346603.db2.gz CPRWLLRKTBFFLV-UHFFFAOYSA-N 1 2 424.520 3.105 50 0 HGAALO Cc1ccc(C[C@@]2(CCC(=O)N3CCCC[C@@H]3c3[nH+]ccn3C)CCC(=O)N2)cc1 ZINC000012242493 558360663 /nfs/dbraw/zinc/36/06/63/558360663.db2.gz DWIZOBKIHPZGFP-YKSBVNFPSA-N 1 2 408.546 3.454 50 0 HGAALO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1F ZINC000020449884 558364782 /nfs/dbraw/zinc/36/47/82/558364782.db2.gz DVXACFQKSYIZKQ-OAQYLSRUSA-N 1 2 412.484 3.424 50 0 HGAALO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1F ZINC000020449884 558364784 /nfs/dbraw/zinc/36/47/84/558364784.db2.gz DVXACFQKSYIZKQ-OAQYLSRUSA-N 1 2 412.484 3.424 50 0 HGAALO Cc1cccn2c(CN(Cc3[nH+]ccn3C)C(C)C)c(C(=O)N3CCCCC3)nc12 ZINC000012301237 558370840 /nfs/dbraw/zinc/37/08/40/558370840.db2.gz OYJMTZPCXLLMQT-UHFFFAOYSA-N 1 2 408.550 3.413 50 0 HGAALO COc1ccc(-c2noc(C[N@H+](C)C[C@@H]3Cc4ccccc4O3)n2)c(OC)c1OC ZINC000012385432 558394506 /nfs/dbraw/zinc/39/45/06/558394506.db2.gz POELEUWFWSTVOK-HNNXBMFYSA-N 1 2 411.458 3.198 50 0 HGAALO COc1ccc(-c2noc(C[N@@H+](C)C[C@@H]3Cc4ccccc4O3)n2)c(OC)c1OC ZINC000012385432 558394508 /nfs/dbraw/zinc/39/45/08/558394508.db2.gz POELEUWFWSTVOK-HNNXBMFYSA-N 1 2 411.458 3.198 50 0 HGAALO COc1ccccc1N1CCN(c2[nH+]cnc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000020661929 558397909 /nfs/dbraw/zinc/39/79/09/558397909.db2.gz DBMPNCBTGSGUJB-UHFFFAOYSA-N 1 2 404.449 3.290 50 0 HGAALO Cc1ccc(OCc2cc(C(=O)NCC3([NH+]4CCOCC4)CCCC3)no2)cc1C ZINC000020785265 558413599 /nfs/dbraw/zinc/41/35/99/558413599.db2.gz LZEPJOSXZIJBAC-UHFFFAOYSA-N 1 2 413.518 3.245 50 0 HGAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000004341008 558424817 /nfs/dbraw/zinc/42/48/17/558424817.db2.gz ZHICFMWVCYQIGE-MRXNPFEDSA-N 1 2 400.504 3.042 50 0 HGAALO C[C@@H](Sc1nnc2[nH]c3ccccc3n21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020980960 558425723 /nfs/dbraw/zinc/42/57/23/558425723.db2.gz LZHKKHJTPWRNHK-MRXNPFEDSA-N 1 2 420.542 3.036 50 0 HGAALO O=C(c1nc2sccn2c1C[N@H+]1CCC[C@H](C(=O)c2cccnc2)C1)N1CCCC1 ZINC000020997361 558427220 /nfs/dbraw/zinc/42/72/20/558427220.db2.gz AULDOMIWXQFZLM-KRWDZBQOSA-N 1 2 423.542 3.122 50 0 HGAALO O=C(c1nc2sccn2c1C[N@@H+]1CCC[C@H](C(=O)c2cccnc2)C1)N1CCCC1 ZINC000020997361 558427221 /nfs/dbraw/zinc/42/72/21/558427221.db2.gz AULDOMIWXQFZLM-KRWDZBQOSA-N 1 2 423.542 3.122 50 0 HGAALO Cc1ccc2c(c1)C(=O)N(CCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)C2=O ZINC000012627257 558440025 /nfs/dbraw/zinc/44/00/25/558440025.db2.gz JPYJUERPHLMZGY-NRFANRHFSA-N 1 2 416.481 3.011 50 0 HGAALO Cc1c(C(=O)N2CCOCC2)c(NC(=O)Cn2cc[nH+]c2)sc1-c1ccccc1 ZINC000010809797 558457085 /nfs/dbraw/zinc/45/70/85/558457085.db2.gz AJXBUUMHVVSLBA-UHFFFAOYSA-N 1 2 410.499 3.031 50 0 HGAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000012790154 558464926 /nfs/dbraw/zinc/46/49/26/558464926.db2.gz BNQUTLHGDKSWBS-ZDUSSCGKSA-N 1 2 406.939 3.397 50 0 HGAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000012790154 558464928 /nfs/dbraw/zinc/46/49/28/558464928.db2.gz BNQUTLHGDKSWBS-ZDUSSCGKSA-N 1 2 406.939 3.397 50 0 HGAALO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1C ZINC000012792846 558466655 /nfs/dbraw/zinc/46/66/55/558466655.db2.gz ZZTFOGNBWOGQDU-CQSZACIVSA-N 1 2 400.548 3.360 50 0 HGAALO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1C ZINC000012792846 558466658 /nfs/dbraw/zinc/46/66/58/558466658.db2.gz ZZTFOGNBWOGQDU-CQSZACIVSA-N 1 2 400.548 3.360 50 0 HGAALO COc1ccc([C@@H](CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)NC(C)=O)cc1 ZINC000022290819 558476482 /nfs/dbraw/zinc/47/64/82/558476482.db2.gz QBMRAQKFFVCGCB-LJQANCHMSA-N 1 2 416.547 3.344 50 0 HGAALO O=C(c1ccc2c(c1)NC(=O)CS2)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000013039763 558506330 /nfs/dbraw/zinc/50/63/30/558506330.db2.gz QKPCIOFVKLCJFG-UHFFFAOYSA-N 1 2 401.919 3.342 50 0 HGAALO C[C@H](Sc1nc2sccc2c(N)n1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022747905 558507106 /nfs/dbraw/zinc/50/71/06/558507106.db2.gz VYGPEUXFUZHKOG-AWEZNQCLSA-N 1 2 413.572 3.099 50 0 HGAALO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1F ZINC000022772788 558509066 /nfs/dbraw/zinc/50/90/66/558509066.db2.gz ZMQQXEHAYFONJG-IRXDYDNUSA-N 1 2 417.500 3.357 50 0 HGAALO C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022779516 558509864 /nfs/dbraw/zinc/50/98/64/558509864.db2.gz SKZKMNPAOFRRFE-KRWDZBQOSA-N 1 2 403.929 3.344 50 0 HGAALO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022779516 558509867 /nfs/dbraw/zinc/50/98/67/558509867.db2.gz SKZKMNPAOFRRFE-KRWDZBQOSA-N 1 2 403.929 3.344 50 0 HGAALO O=C1C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000022916528 558521703 /nfs/dbraw/zinc/52/17/03/558521703.db2.gz GUNCKHOONUGCTA-XBGMYJNYSA-N 1 2 409.917 3.303 50 0 HGAALO Cc1ccc(-n2cc(CN3CC[N@H+](Cc4ccccc4F)[C@@H](CCO)C3)cn2)cc1 ZINC000023373160 558553116 /nfs/dbraw/zinc/55/31/16/558553116.db2.gz TXZMTSIVICKOJA-QHCPKHFHSA-N 1 2 408.521 3.389 50 0 HGAALO Cc1ccc(-n2cc(CN3CC[N@@H+](Cc4ccccc4F)[C@@H](CCO)C3)cn2)cc1 ZINC000023373160 558553118 /nfs/dbraw/zinc/55/31/18/558553118.db2.gz TXZMTSIVICKOJA-QHCPKHFHSA-N 1 2 408.521 3.389 50 0 HGAALO Cc1ccc(-n2cc(C[N@@H+]3CCN(Cc4ccccc4F)[C@@H](CCO)C3)cn2)cc1 ZINC000023373160 558553120 /nfs/dbraw/zinc/55/31/20/558553120.db2.gz TXZMTSIVICKOJA-QHCPKHFHSA-N 1 2 408.521 3.389 50 0 HGAALO Cc1ccc(-n2cc(C[N@H+]3CCN(Cc4ccccc4F)[C@@H](CCO)C3)cn2)cc1 ZINC000023373160 558553123 /nfs/dbraw/zinc/55/31/23/558553123.db2.gz TXZMTSIVICKOJA-QHCPKHFHSA-N 1 2 408.521 3.389 50 0 HGAALO COc1cc(C[N@@H+]2CCN(Cc3cccc(SC)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000023372997 558553144 /nfs/dbraw/zinc/55/31/44/558553144.db2.gz AHHFUKANQIHYAP-FQEVSTJZSA-N 1 2 416.587 3.495 50 0 HGAALO COc1cc(C[N@H+]2CCN(Cc3cccc(SC)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000023372997 558553147 /nfs/dbraw/zinc/55/31/47/558553147.db2.gz AHHFUKANQIHYAP-FQEVSTJZSA-N 1 2 416.587 3.495 50 0 HGAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023642013 558564352 /nfs/dbraw/zinc/56/43/52/558564352.db2.gz VWUVQAXQTUOBJG-UHFFFAOYSA-N 1 2 422.504 3.465 50 0 HGAALO Cc1sc2nc(-c3cccs3)nc(NC[C@H](O)C[NH+]3CCOCC3)c2c1C ZINC000023935276 558581663 /nfs/dbraw/zinc/58/16/63/558581663.db2.gz PNKRBLFNRIVBLA-AWEZNQCLSA-N 1 2 404.561 3.142 50 0 HGAALO O=C(c1ccc(Br)cc1F)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024179057 558591293 /nfs/dbraw/zinc/59/12/93/558591293.db2.gz YEFZTWCFHOXQBE-UHFFFAOYSA-N 1 2 419.294 3.481 50 0 HGAALO Cc1cc(NC(=O)[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)no1 ZINC000024208025 558592182 /nfs/dbraw/zinc/59/21/82/558592182.db2.gz MCVGKSCQZZKDQF-MGPUTAFESA-N 1 2 413.499 3.417 50 0 HGAALO COc1ccc(C2=NN(C(=O)CSc3nc(N)cc(C)[nH+]3)[C@@H](c3ccco3)C2)cc1 ZINC000024841110 558616842 /nfs/dbraw/zinc/61/68/42/558616842.db2.gz CVASWSIDRUPIOC-QGZVFWFLSA-N 1 2 423.498 3.439 50 0 HGAALO CCNC(=O)NC(=O)[C@@H](C)Sc1nc(N)c(-c2ccc(Cl)cc2)c(CC)[nH+]1 ZINC000024987764 558625381 /nfs/dbraw/zinc/62/53/81/558625381.db2.gz ABHAFZKXXOHTHI-SNVBAGLBSA-N 1 2 407.927 3.268 50 0 HGAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000025067306 558630114 /nfs/dbraw/zinc/63/01/14/558630114.db2.gz MICQLKNDRRWUHE-HXUWFJFHSA-N 1 2 404.514 3.322 50 0 HGAALO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+](C)Cc1c(C)nn(C)c1C)CCCC2 ZINC000014192458 558632658 /nfs/dbraw/zinc/63/26/58/558632658.db2.gz MJZRCSBKNODQGE-UHFFFAOYSA-N 1 2 418.563 3.224 50 0 HGAALO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+](C)Cc1c(C)nn(C)c1C)CCCC2 ZINC000014192458 558632659 /nfs/dbraw/zinc/63/26/59/558632659.db2.gz MJZRCSBKNODQGE-UHFFFAOYSA-N 1 2 418.563 3.224 50 0 HGAALO CCCCNC(=O)C[NH+]1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000014235828 558641294 /nfs/dbraw/zinc/64/12/94/558641294.db2.gz BAZVGAXWMQVXFW-UHFFFAOYSA-N 1 2 409.559 3.397 50 0 HGAALO O=C(c1cc(=O)[nH]c2ccccc21)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000026081030 558654879 /nfs/dbraw/zinc/65/48/79/558654879.db2.gz CISZIMPEKPKVNZ-UHFFFAOYSA-N 1 2 411.889 3.018 50 0 HGAALO CCC[N@H+](CCn1nc2ccccn2c1=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000026900821 558666686 /nfs/dbraw/zinc/66/66/86/558666686.db2.gz FQMBVNZJCOGTTK-UHFFFAOYSA-N 1 2 422.316 3.154 50 0 HGAALO CCC[N@@H+](CCn1nc2ccccn2c1=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000026900821 558666689 /nfs/dbraw/zinc/66/66/89/558666689.db2.gz FQMBVNZJCOGTTK-UHFFFAOYSA-N 1 2 422.316 3.154 50 0 HGAALO COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[N@H+](Cc2ccsc2)C3)cc1 ZINC000014748079 558669749 /nfs/dbraw/zinc/66/97/49/558669749.db2.gz OGEKCHNYANKCMZ-UHFFFAOYSA-N 1 2 424.570 3.456 50 0 HGAALO COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[N@@H+](Cc2ccsc2)C3)cc1 ZINC000014748079 558669750 /nfs/dbraw/zinc/66/97/50/558669750.db2.gz OGEKCHNYANKCMZ-UHFFFAOYSA-N 1 2 424.570 3.456 50 0 HGAALO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3csc(C(C)=O)c3)CC2)c1 ZINC000014948584 558680267 /nfs/dbraw/zinc/68/02/67/558680267.db2.gz MRNYQQDZLJVNKY-UHFFFAOYSA-N 1 2 416.543 3.370 50 0 HGAALO COc1ccc([C@H](NC(=O)c2nc(SC)ncc2Cl)c2[nH+]ccn2C)cc1 ZINC000029647918 558718216 /nfs/dbraw/zinc/71/82/16/558718216.db2.gz GXMHIDIFCXVJJC-AWEZNQCLSA-N 1 2 403.895 3.113 50 0 HGAALO CC[N@H+](CCCNC(=O)Cn1ncc2c3cc(C)ccc3[nH]c2c1=O)c1ccccc1 ZINC000015962606 558764273 /nfs/dbraw/zinc/76/42/73/558764273.db2.gz CNMPAQANXPAXQM-UHFFFAOYSA-N 1 2 417.513 3.219 50 0 HGAALO CC[N@@H+](CCCNC(=O)Cn1ncc2c3cc(C)ccc3[nH]c2c1=O)c1ccccc1 ZINC000015962606 558764277 /nfs/dbraw/zinc/76/42/77/558764277.db2.gz CNMPAQANXPAXQM-UHFFFAOYSA-N 1 2 417.513 3.219 50 0 HGAALO Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C)CC4)cc3N2)cc1 ZINC000033927163 558772168 /nfs/dbraw/zinc/77/21/68/558772168.db2.gz HNWWNDJRBHIJHJ-WBVHZDCISA-N 1 2 407.440 3.239 50 0 HGAALO O=C(COc1coc(C[N@@H+]2CCc3ccccc3C2)cc1=O)Nc1ccc(F)cc1 ZINC000004583966 558774653 /nfs/dbraw/zinc/77/46/53/558774653.db2.gz XFIWUOURPVWCNT-UHFFFAOYSA-N 1 2 408.429 3.355 50 0 HGAALO O=C(COc1coc(C[N@H+]2CCc3ccccc3C2)cc1=O)Nc1ccc(F)cc1 ZINC000004583966 558774655 /nfs/dbraw/zinc/77/46/55/558774655.db2.gz XFIWUOURPVWCNT-UHFFFAOYSA-N 1 2 408.429 3.355 50 0 HGAALO C[NH+]1CCN(S(=O)(=O)c2ccc(SCc3c(F)cccc3Cl)nc2)CC1 ZINC000034872120 558786405 /nfs/dbraw/zinc/78/64/05/558786405.db2.gz IOCMIASQQXYMBL-UHFFFAOYSA-N 1 2 415.943 3.103 50 0 HGAALO C[NH+]1CCN(S(=O)(=O)c2ccc(SCc3cccc4ccccc43)nc2)CC1 ZINC000034872123 558786416 /nfs/dbraw/zinc/78/64/16/558786416.db2.gz MQTLGOSCXRSSAE-UHFFFAOYSA-N 1 2 413.568 3.463 50 0 HGAALO CCCn1ncc(C[N@@H+]2CCN(Cc3ccccc3OCC)[C@H](CCO)C2)c1C ZINC000039490171 558821628 /nfs/dbraw/zinc/82/16/28/558821628.db2.gz SSJDCUGXIXDIMK-JOCHJYFZSA-N 1 2 400.567 3.069 50 0 HGAALO CCCn1ncc(C[N@H+]2CCN(Cc3ccccc3OCC)[C@H](CCO)C2)c1C ZINC000039490171 558821630 /nfs/dbraw/zinc/82/16/30/558821630.db2.gz SSJDCUGXIXDIMK-JOCHJYFZSA-N 1 2 400.567 3.069 50 0 HGAALO Cc1ccc(Cl)cc1N1C(=O)C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000018136633 558831799 /nfs/dbraw/zinc/83/17/99/558831799.db2.gz VYGVZWAKRJDWEV-LJQANCHMSA-N 1 2 401.869 3.242 50 0 HGAALO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000018223059 558834132 /nfs/dbraw/zinc/83/41/32/558834132.db2.gz QXKMQRVPBHCSHG-INIZCTEOSA-N 1 2 405.527 3.481 50 0 HGAALO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCc2[nH]c[nH+]c2C1)OC(C)(C)CC3 ZINC000013571194 558844602 /nfs/dbraw/zinc/84/46/02/558844602.db2.gz QWRALOFBFXGTQU-UHFFFAOYSA-N 1 2 421.497 3.446 50 0 biogenic HGAALO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCc2[nH+]c[nH]c2C1)OC(C)(C)CC3 ZINC000013571194 558844605 /nfs/dbraw/zinc/84/46/05/558844605.db2.gz QWRALOFBFXGTQU-UHFFFAOYSA-N 1 2 421.497 3.446 50 0 biogenic HGAALO Cc1ccc2[nH]c(N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)[nH+]c2c1 ZINC000033070700 558866102 /nfs/dbraw/zinc/86/61/02/558866102.db2.gz GABLYKMSSQSAOI-UHFFFAOYSA-N 1 2 403.530 3.437 50 0 HGAALO Cc1ccc2[nH+]c(N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)[nH]c2c1 ZINC000033070700 558866104 /nfs/dbraw/zinc/86/61/04/558866104.db2.gz GABLYKMSSQSAOI-UHFFFAOYSA-N 1 2 403.530 3.437 50 0 HGAALO Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@@]21NC(=N)NC(Nc2ccccc2)=[NH+]1 ZINC000019320016 558867391 /nfs/dbraw/zinc/86/73/91/558867391.db2.gz GJBCCQHRICACIC-QKFKETGDSA-N 1 2 402.502 3.166 50 0 HGAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000033106459 558874281 /nfs/dbraw/zinc/87/42/81/558874281.db2.gz KNTDCAKDJONCBT-UHFFFAOYSA-N 1 2 409.490 3.428 50 0 HGAALO CCS(=O)(=O)c1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000059898777 558939968 /nfs/dbraw/zinc/93/99/68/558939968.db2.gz OPHYGVZQPJTIFU-UHFFFAOYSA-N 1 2 404.507 3.014 50 0 HGAALO COCCNC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000065002233 558968853 /nfs/dbraw/zinc/96/88/53/558968853.db2.gz WARYWCQOLSEEFD-UHFFFAOYSA-N 1 2 408.477 3.077 50 0 HGAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccccc4C)CC3)[nH+]c(C)n2)n1 ZINC000065362176 558972804 /nfs/dbraw/zinc/97/28/04/558972804.db2.gz WQABUYOLTZBOOP-UHFFFAOYSA-N 1 2 405.506 3.250 50 0 HGAALO COc1cc(C)c(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1OC ZINC000022025131 558985042 /nfs/dbraw/zinc/98/50/42/558985042.db2.gz FVOOAFITVFUVJN-LJQANCHMSA-N 1 2 411.546 3.465 50 0 HGAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)CCCc4ccccc4)CC3)[nH+]c(C)n2)n1 ZINC000067620602 558989474 /nfs/dbraw/zinc/98/94/74/558989474.db2.gz MNOMQIALFLHGEO-UHFFFAOYSA-N 1 2 418.545 3.259 50 0 HGAALO COc1ccc(-c2noc(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 ZINC000096845426 558994166 /nfs/dbraw/zinc/99/41/66/558994166.db2.gz QHGCYOUNYLPJLR-UHFFFAOYSA-N 1 2 419.407 3.481 50 0 HGAALO COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1C[N@H+]2CCn1nccc1C ZINC000077358104 559002433 /nfs/dbraw/zinc/00/24/33/559002433.db2.gz MRLZMDVKDNBOHW-UNMCSNQZSA-N 1 2 402.498 3.357 50 0 HGAALO COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1C[N@@H+]2CCn1nccc1C ZINC000077358104 559002434 /nfs/dbraw/zinc/00/24/34/559002434.db2.gz MRLZMDVKDNBOHW-UNMCSNQZSA-N 1 2 402.498 3.357 50 0 HGAALO COc1ccccc1[C@H](NC(=O)c1ccc(-c2nnc(C)n2C)cc1)c1[nH+]ccn1C ZINC000097229123 559013313 /nfs/dbraw/zinc/01/33/13/559013313.db2.gz PVQQDBRTEWUKTH-FQEVSTJZSA-N 1 2 416.485 3.052 50 0 HGAALO CCOC(=O)C1CC[NH+]([C@@H](c2ccccc2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000023156770 559022727 /nfs/dbraw/zinc/02/27/27/559022727.db2.gz SFEOWDFNRFURBR-INIZCTEOSA-N 1 2 400.504 3.169 50 0 HGAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000091434187 559071503 /nfs/dbraw/zinc/07/15/03/559071503.db2.gz LSLNDZLMOSSFJR-SFHVURJKSA-N 1 2 400.442 3.359 50 0 HGAALO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC000095520457 559085114 /nfs/dbraw/zinc/08/51/14/559085114.db2.gz FDDCMQRSPBWSNR-UHFFFAOYSA-N 1 2 404.436 3.113 50 0 HGAALO O=C(C1CC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC000095520457 559085115 /nfs/dbraw/zinc/08/51/15/559085115.db2.gz FDDCMQRSPBWSNR-UHFFFAOYSA-N 1 2 404.436 3.113 50 0 HGAALO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000095626629 559087569 /nfs/dbraw/zinc/08/75/69/559087569.db2.gz HAHUVGAOZRKNFH-GOSISDBHSA-N 1 2 420.912 3.239 50 0 HGAALO CCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)cc1 ZINC000100366555 559134490 /nfs/dbraw/zinc/13/44/90/559134490.db2.gz IMEILDUKVLVHBJ-CJHOVAGGSA-N 1 2 419.525 3.048 50 0 HGAALO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)c1cc(C2CC2)nn1C(C)(C)C ZINC000072310836 559163078 /nfs/dbraw/zinc/16/30/78/559163078.db2.gz XYPJHVFJJOYACL-MRXNPFEDSA-N 1 2 405.539 3.478 50 0 HGAALO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)c1cc(C2CC2)nn1C(C)(C)C ZINC000072310836 559163080 /nfs/dbraw/zinc/16/30/80/559163080.db2.gz XYPJHVFJJOYACL-MRXNPFEDSA-N 1 2 405.539 3.478 50 0 HGAALO CCOc1ccc(NC(=O)CN2CCN(c3[nH+]ccn3-c3ccccc3F)CC2)cc1 ZINC000011695776 559189020 /nfs/dbraw/zinc/18/90/20/559189020.db2.gz RDTYQHJFYWRZNL-UHFFFAOYSA-N 1 2 423.492 3.171 50 0 HGAALO O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000408525172 559215485 /nfs/dbraw/zinc/21/54/85/559215485.db2.gz OILAHUDRNGPVQD-UHFFFAOYSA-N 1 2 410.499 3.230 50 0 HGAALO CN(C(=O)c1cccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1)c1ccccc1 ZINC000408525323 559215510 /nfs/dbraw/zinc/21/55/10/559215510.db2.gz WMLUAEGEIHROPG-UHFFFAOYSA-N 1 2 424.526 3.255 50 0 HGAALO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011720063 559255162 /nfs/dbraw/zinc/25/51/62/559255162.db2.gz PWOJIMISVLUGQM-MRXNPFEDSA-N 1 2 421.588 3.135 50 0 HGAALO O=c1[nH]c(=S)n(-c2ccc(F)cc2)c(O)c1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000100751532 559263226 /nfs/dbraw/zinc/26/32/26/559263226.db2.gz YIABZRVLXBZQQX-SFHVURJKSA-N 1 2 408.458 3.456 50 0 biogenic HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3[C@@H]3CCC[N@@H+]32)cc1 ZINC000248160720 559265912 /nfs/dbraw/zinc/26/59/12/559265912.db2.gz OFZSRVMXIITFEV-KJJMTIBFSA-N 1 2 402.494 3.447 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3[C@@H]3CCC[N@H+]32)cc1 ZINC000248160720 559265913 /nfs/dbraw/zinc/26/59/13/559265913.db2.gz OFZSRVMXIITFEV-KJJMTIBFSA-N 1 2 402.494 3.447 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000005243545 560549960 /nfs/dbraw/zinc/54/99/60/560549960.db2.gz CEAHITVAIUOWIK-WTGUMLROSA-N 1 2 408.885 3.484 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000005243545 560549962 /nfs/dbraw/zinc/54/99/62/560549962.db2.gz CEAHITVAIUOWIK-WTGUMLROSA-N 1 2 408.885 3.484 50 0 HGAALO C[C@@H]1CN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000017246290 560704701 /nfs/dbraw/zinc/70/47/01/560704701.db2.gz AWQJXMQKFDXELH-BETUJISGSA-N 1 2 417.922 3.197 50 0 HGAALO O=C([C@@H](c1ccccc1)n1cccc1)N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000409414749 560723310 /nfs/dbraw/zinc/72/33/10/560723310.db2.gz WILABXVHMZXTEP-HSZRJFAPSA-N 1 2 407.489 3.440 50 0 HGAALO CCc1[nH+]c(C(C)C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1cccc(C)c1 ZINC000096316839 560848825 /nfs/dbraw/zinc/84/88/25/560848825.db2.gz ZVZRMUFDHJVABP-UHFFFAOYSA-N 1 2 416.591 3.143 50 0 HGAALO CCOC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318467 560858669 /nfs/dbraw/zinc/85/86/69/560858669.db2.gz YDVYEGBLSOQILM-JOCHJYFZSA-N 1 2 405.498 3.224 50 0 HGAALO CCOC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318467 560858670 /nfs/dbraw/zinc/85/86/70/560858670.db2.gz YDVYEGBLSOQILM-JOCHJYFZSA-N 1 2 405.498 3.224 50 0 HGAALO CNC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1C(F)(F)F ZINC000012136665 560889461 /nfs/dbraw/zinc/88/94/61/560889461.db2.gz MUOKYEFARPKFPU-UHFFFAOYSA-N 1 2 413.469 3.110 50 0 HGAALO O=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048252332 568434269 /nfs/dbraw/zinc/43/42/69/568434269.db2.gz TYERGIJCVJNGKY-UHFFFAOYSA-N 1 2 416.472 3.177 50 0 HGAALO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000048811577 568443523 /nfs/dbraw/zinc/44/35/23/568443523.db2.gz PTUMNGXYLUPYOQ-CYBMUJFWSA-N 1 2 404.864 3.277 50 0 HGAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3cc(F)ccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000024830055 568469844 /nfs/dbraw/zinc/46/98/44/568469844.db2.gz QADYMBOQPGQINC-OAHLLOKOSA-N 1 2 403.477 3.336 50 0 HGAALO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2c(Cl)nc3ccccn32)c2ccc(Cl)cc2)C1 ZINC000222051501 568513945 /nfs/dbraw/zinc/51/39/45/568513945.db2.gz OYXYCKZXYSMSHV-RDJZCZTQSA-N 1 2 419.312 3.443 50 0 HGAALO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2c(Cl)nc3ccccn32)c2ccc(Cl)cc2)C1 ZINC000222051501 568513946 /nfs/dbraw/zinc/51/39/46/568513946.db2.gz OYXYCKZXYSMSHV-RDJZCZTQSA-N 1 2 419.312 3.443 50 0 HGAALO COc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2ccccn2)cc1 ZINC000020107825 568588515 /nfs/dbraw/zinc/58/85/15/568588515.db2.gz AKPGEMYUWVPBRN-UHFFFAOYSA-N 1 2 400.548 3.012 50 0 HGAALO OCc1cccc(OCC[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000020366427 568601307 /nfs/dbraw/zinc/60/13/07/568601307.db2.gz WCOOZJZMDZIYIT-UHFFFAOYSA-N 1 2 415.843 3.447 50 0 HGAALO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000095446866 568612291 /nfs/dbraw/zinc/61/22/91/568612291.db2.gz GAGWEWFPICFKQA-QGZVFWFLSA-N 1 2 406.486 3.476 50 0 HGAALO COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000095446866 568612292 /nfs/dbraw/zinc/61/22/92/568612292.db2.gz GAGWEWFPICFKQA-QGZVFWFLSA-N 1 2 406.486 3.476 50 0 HGAALO O=C(NCc1ccccc1)NC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCC1 ZINC000040050904 568613080 /nfs/dbraw/zinc/61/30/80/568613080.db2.gz RMYXUFIFGRUUEK-UHFFFAOYSA-N 1 2 421.545 3.110 50 0 HGAALO CCOc1ccc(Oc2ccc(NC(=S)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000020921879 568651078 /nfs/dbraw/zinc/65/10/78/568651078.db2.gz VOMCYOCMLCRAGK-UHFFFAOYSA-N 1 2 401.532 3.496 50 0 HGAALO Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000021155636 568673603 /nfs/dbraw/zinc/67/36/03/568673603.db2.gz VUDOBVUTERFMAT-QFIPXVFZSA-N 1 2 420.488 3.019 50 0 HGAALO Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000021155636 568673605 /nfs/dbraw/zinc/67/36/05/568673605.db2.gz VUDOBVUTERFMAT-QFIPXVFZSA-N 1 2 420.488 3.019 50 0 HGAALO O=C(C1CCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000021158828 568674103 /nfs/dbraw/zinc/67/41/03/568674103.db2.gz OGKOMVDIFJHSOE-UHFFFAOYSA-N 1 2 422.504 3.299 50 0 HGAALO 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408.477 3.049 50 0 HGAALO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000245242150 569055278 /nfs/dbraw/zinc/05/52/78/569055278.db2.gz DCGMCPLEEATNEO-UTKZUKDTSA-N 1 2 422.481 3.386 50 0 HGAALO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000245242150 569055279 /nfs/dbraw/zinc/05/52/79/569055279.db2.gz DCGMCPLEEATNEO-UTKZUKDTSA-N 1 2 422.481 3.386 50 0 HGAALO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(C)=O)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000035843155 569062422 /nfs/dbraw/zinc/06/24/22/569062422.db2.gz ULBVRRNILONBHC-IVAOSVALSA-N 1 2 422.868 3.453 50 0 HGAALO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(C)=O)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000035843155 569062423 /nfs/dbraw/zinc/06/24/23/569062423.db2.gz ULBVRRNILONBHC-IVAOSVALSA-N 1 2 422.868 3.453 50 0 HGAALO CC[N@@H+]1CCc2c(sc3nc(C)nc(N4CCN(C(=O)c5ccccc5)CC4)c32)C1 ZINC000035888269 569064651 /nfs/dbraw/zinc/06/46/51/569064651.db2.gz CKXMFBPAVYEJHM-UHFFFAOYSA-N 1 2 421.570 3.340 50 0 HGAALO CC[N@H+]1CCc2c(sc3nc(C)nc(N4CCN(C(=O)c5ccccc5)CC4)c32)C1 ZINC000035888269 569064652 /nfs/dbraw/zinc/06/46/52/569064652.db2.gz CKXMFBPAVYEJHM-UHFFFAOYSA-N 1 2 421.570 3.340 50 0 HGAALO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000006590580 569068445 /nfs/dbraw/zinc/06/84/45/569068445.db2.gz MGTJQDTUDTXTHA-LBPRGKRZSA-N 1 2 408.380 3.366 50 0 HGAALO CC[NH+]1CCN(S(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)CC1 ZINC000064610925 569071325 /nfs/dbraw/zinc/07/13/25/569071325.db2.gz YQSBNJDASBPRMP-UHFFFAOYSA-N 1 2 412.515 3.038 50 0 HGAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H]1COc2ccccc2O1 ZINC000006609547 569072003 /nfs/dbraw/zinc/07/20/03/569072003.db2.gz MEUJDRWRFVGNGQ-LJQANCHMSA-N 1 2 407.495 3.480 50 0 HGAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H]1COc2ccccc2O1 ZINC000006609547 569072004 /nfs/dbraw/zinc/07/20/04/569072004.db2.gz MEUJDRWRFVGNGQ-LJQANCHMSA-N 1 2 407.495 3.480 50 0 HGAALO O=C(NCc1ccccc1F)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000036255448 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CCOC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000040024982 571139941 /nfs/dbraw/zinc/13/99/41/571139941.db2.gz UYKXZVGKGPOZHI-UHFFFAOYSA-N 1 2 409.486 3.020 50 0 HGAALO CC[NH+](CC)c1ccc(NC(C)=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000008974673 571197484 /nfs/dbraw/zinc/19/74/84/571197484.db2.gz YOKINWYFHNSJDT-CAPFRKAQSA-N 1 2 406.486 3.497 50 0 HGAALO O=C(NCc1ccc(N2CCCC[C@H]2CCO)[nH+]c1)c1ccccc1OC(F)F ZINC000040150256 571198814 /nfs/dbraw/zinc/19/88/14/571198814.db2.gz GAZXYRVDPXHDFN-INIZCTEOSA-N 1 2 405.445 3.354 50 0 HGAALO O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000069292071 571218268 /nfs/dbraw/zinc/21/82/68/571218268.db2.gz MURVINHHRURTJU-KRWDZBQOSA-N 1 2 414.527 3.123 50 0 HGAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000069415629 571227745 /nfs/dbraw/zinc/22/77/45/571227745.db2.gz DUUUXLBPBDAPAZ-OALUTQOASA-N 1 2 404.518 3.486 50 0 HGAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000069415629 571227747 /nfs/dbraw/zinc/22/77/47/571227747.db2.gz DUUUXLBPBDAPAZ-OALUTQOASA-N 1 2 404.518 3.486 50 0 HGAALO O=S1(=O)C[C@H]2[NH+]=C(SCc3ccccc3)N(CCc3ccc(F)cc3)[C@@H]2C1 ZINC000009484786 571262240 /nfs/dbraw/zinc/26/22/40/571262240.db2.gz UEJMLSQGFYAHNE-RTBURBONSA-N 1 2 404.532 3.139 50 0 HGAALO O=S1(=O)C[C@H]2[C@@H](C1)[NH+]=C(SCc1ccccc1)N2CCc1ccc(F)cc1 ZINC000009484780 571262261 /nfs/dbraw/zinc/26/22/61/571262261.db2.gz UEJMLSQGFYAHNE-MOPGFXCFSA-N 1 2 404.532 3.139 50 0 HGAALO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccccc3)N(CCc3ccc(F)cc3)[C@@H]2C1 ZINC000009484789 571262289 /nfs/dbraw/zinc/26/22/89/571262289.db2.gz UEJMLSQGFYAHNE-RBUKOAKNSA-N 1 2 404.532 3.139 50 0 HGAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)COc3ccccc3)cc2)[nH+]1 ZINC000009573368 571269251 /nfs/dbraw/zinc/26/92/51/571269251.db2.gz ZTFQSKUSTRTBDG-UHFFFAOYSA-N 1 2 419.485 3.383 50 0 HGAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NC1CC1 ZINC000009575976 571269711 /nfs/dbraw/zinc/26/97/11/571269711.db2.gz 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Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)n(-c2ccccc2)n1 ZINC000008159880 132328084 /nfs/dbraw/zinc/32/80/84/132328084.db2.gz VIHLEUDMHNJPLS-UHFFFAOYSA-N 1 2 419.529 3.088 50 0 HGAALO O=C(NCCn1ncc2c1nc[nH+]c2N1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000011665929 132348993 /nfs/dbraw/zinc/34/89/93/132348993.db2.gz MBKKQYHESBOINC-UHFFFAOYSA-N 1 2 408.550 3.149 50 0 HGAALO O=C(CC[C@H]1CCCN(C(=O)C2CCCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000011844600 132351323 /nfs/dbraw/zinc/35/13/23/132351323.db2.gz WHEVQPUQZPRLKI-HXUWFJFHSA-N 1 2 412.578 3.329 50 0 HGAALO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012661139 132365843 /nfs/dbraw/zinc/36/58/43/132365843.db2.gz CSHALCZIFCWARH-UHFFFAOYSA-N 1 2 405.829 3.265 50 0 HGAALO O=C(C[NH+]1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1)N1CCCCC1 ZINC000012873533 132368082 /nfs/dbraw/zinc/36/80/82/132368082.db2.gz VEONDYUNKIEKCM-UHFFFAOYSA-N 1 2 415.541 3.431 50 0 HGAALO CC(C)c1c(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cnn1Cc1ccccc1 ZINC000032637831 519830645 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410.301 3.309 50 0 HGAALO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000032237680 526801115 /nfs/dbraw/zinc/80/11/15/526801115.db2.gz DEXJDUJVHXVPFU-UHFFFAOYSA-N 1 2 406.404 3.435 50 0 HGAALO O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023968446 526915486 /nfs/dbraw/zinc/91/54/86/526915486.db2.gz KMBYWXWNEJARAU-UHFFFAOYSA-N 1 2 424.508 3.287 50 0 HGAALO CCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NCC(C)C)o2)[nH+]1 ZINC000006802121 536146072 /nfs/dbraw/zinc/14/60/72/536146072.db2.gz GDEJTAAPDQGPEB-UHFFFAOYSA-N 1 2 404.536 3.147 50 0 HGAALO COC(=O)C1CC[NH+]([C@H](c2cccc(C)c2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000022626317 557084570 /nfs/dbraw/zinc/08/45/70/557084570.db2.gz VKPOWOAGBOMZKK-MRXNPFEDSA-N 1 2 400.504 3.088 50 0 HGAALO CCOC(=O)c1ccc(N2C(=O)C[C@H](SCCc3[nH]c4ccccc4[nH+]3)C2=O)cc1 ZINC000001441971 557264806 /nfs/dbraw/zinc/26/48/06/557264806.db2.gz CGOQNMVYAPOTLF-SFHVURJKSA-N 1 2 423.494 3.347 50 0 HGAALO CC(C)CCNC(=O)c1coc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000034678237 557366257 /nfs/dbraw/zinc/36/62/57/557366257.db2.gz BUUQKBGPOZVYEB-UHFFFAOYSA-N 1 2 404.942 3.422 50 0 HGAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000008073486 557772039 /nfs/dbraw/zinc/77/20/39/557772039.db2.gz TVTOUEBWALCTON-UHFFFAOYSA-N 1 2 409.530 3.389 50 0 HGAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](c2ccccc2)C2Sc3nc(CC)nn3C2=O)C1 ZINC000022853401 557840234 /nfs/dbraw/zinc/84/02/34/557840234.db2.gz QUXMOPZEVORLNA-RDJZCZTQSA-N 1 2 414.531 3.423 50 0 HGAALO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](c2ccccc2)C2Sc3nc(CC)nn3C2=O)C1 ZINC000022853401 557840236 /nfs/dbraw/zinc/84/02/36/557840236.db2.gz QUXMOPZEVORLNA-RDJZCZTQSA-N 1 2 414.531 3.423 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000022854095 557840866 /nfs/dbraw/zinc/84/08/66/557840866.db2.gz GVGARMLKIPVCKF-QGZVFWFLSA-N 1 2 414.531 3.296 50 0 HGAALO O=C(Nc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000019720127 558258772 /nfs/dbraw/zinc/25/87/72/558258772.db2.gz 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CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012824999 569009187 /nfs/dbraw/zinc/00/91/87/569009187.db2.gz MJVMARJWLGGASO-INIZCTEOSA-N 1 2 416.499 3.472 50 0 HGAALO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012824999 569009188 /nfs/dbraw/zinc/00/91/88/569009188.db2.gz MJVMARJWLGGASO-INIZCTEOSA-N 1 2 416.499 3.472 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000035808785 569060886 /nfs/dbraw/zinc/06/08/86/569060886.db2.gz BEYFEKWVVRAIPI-HCXYKTFWSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000035808785 569060887 /nfs/dbraw/zinc/06/08/87/569060887.db2.gz BEYFEKWVVRAIPI-HCXYKTFWSA-N 1 2 412.848 3.314 50 0 HGAALO C[NH+](C)CCn1cc(C(=O)c2cc(F)ccc2O)cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000006590677 569068645 /nfs/dbraw/zinc/06/86/45/569068645.db2.gz JEGBWTPMIQCAPE-UHFFFAOYSA-N 1 2 420.444 3.029 50 0 HGAALO CCc1nc(CNC(=O)c2csc3c2CC[N@H+](Cc2ccc(CC)cn2)C3)no1 ZINC000426424196 569072897 /nfs/dbraw/zinc/07/28/97/569072897.db2.gz FDISHPVZBBBZFV-UHFFFAOYSA-N 1 2 411.531 3.139 50 0 HGAALO CCc1nc(CNC(=O)c2csc3c2CC[N@@H+](Cc2ccc(CC)cn2)C3)no1 ZINC000426424196 569072898 /nfs/dbraw/zinc/07/28/98/569072898.db2.gz FDISHPVZBBBZFV-UHFFFAOYSA-N 1 2 411.531 3.139 50 0 HGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCC[C@@H]3CCCOC3)csc2C1 ZINC000426647908 569073758 /nfs/dbraw/zinc/07/37/58/569073758.db2.gz KRZAMWOOBIUKEV-INIZCTEOSA-N 1 2 403.548 3.458 50 0 HGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC[C@@H]3CCCOC3)csc2C1 ZINC000426647908 569073759 /nfs/dbraw/zinc/07/37/59/569073759.db2.gz KRZAMWOOBIUKEV-INIZCTEOSA-N 1 2 403.548 3.458 50 0 HGAALO Cc1cc(CN(C)C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)on1 ZINC000426716806 569074036 /nfs/dbraw/zinc/07/40/36/569074036.db2.gz CDLINIZUSUUAED-UHFFFAOYSA-N 1 2 400.504 3.480 50 0 HGAALO Cc1cc(CN(C)C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)on1 ZINC000426716806 569074037 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HGAALO O=C(Nc1ccc(F)c(F)c1)C1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000065237088 569202773 /nfs/dbraw/zinc/20/27/73/569202773.db2.gz ZWOMLQFLOAPGAU-UHFFFAOYSA-N 1 2 419.501 3.163 50 0 HGAALO COc1ccc(-n2c(SCC(=O)NC(C)C)nnc2[C@H](C)[NH+]2CCCCC2)cc1 ZINC000007023191 569204446 /nfs/dbraw/zinc/20/44/46/569204446.db2.gz OHHUCCCRLQFYJM-INIZCTEOSA-N 1 2 417.579 3.440 50 0 HGAALO CCN(CC)c1cc(CCC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000065269965 569213902 /nfs/dbraw/zinc/21/39/02/569213902.db2.gz WXZQEZCTBGQOOJ-UHFFFAOYSA-N 1 2 404.555 3.376 50 0 HGAALO CSCC[C@@H](C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524735381 569214278 /nfs/dbraw/zinc/21/42/78/569214278.db2.gz YZPGBXIAIVDLBJ-SFHVURJKSA-N 1 2 423.498 3.220 50 0 HGAALO CCc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)s1 ZINC000036700402 569222924 /nfs/dbraw/zinc/22/29/24/569222924.db2.gz KJYRDJOFFWBQSG-IBGZPJMESA-N 1 2 408.589 3.443 50 0 HGAALO CCc1ccc(S(=O)(=O)NCCCC[N@H+]2CCO[C@H](c3ccccc3)C2)s1 ZINC000036700402 569222925 /nfs/dbraw/zinc/22/29/25/569222925.db2.gz KJYRDJOFFWBQSG-IBGZPJMESA-N 1 2 408.589 3.443 50 0 HGAALO CC1(C)Cc2cccc(OCC(=O)NC[C@H](c3ccco3)[NH+]3CCSCC3)c2O1 ZINC000239846240 569237231 /nfs/dbraw/zinc/23/72/31/569237231.db2.gz KZUBPHCJOBQDEU-QGZVFWFLSA-N 1 2 416.543 3.278 50 0 HGAALO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](O)C[C@@H]3C)c2c1C ZINC000170606327 569244418 /nfs/dbraw/zinc/24/44/18/569244418.db2.gz CGZWOCMUWYBJQO-ZFWWWQNUSA-N 1 2 418.563 3.122 50 0 HGAALO C[C@]1(n2cc(CNc3[nH+]c4ccccc4n3-c3ccccc3)cn2)CCS(=O)(=O)C1 ZINC000170607173 569244569 /nfs/dbraw/zinc/24/45/69/569244569.db2.gz LWPGLWPWNTYGSX-QFIPXVFZSA-N 1 2 421.526 3.368 50 0 HGAALO COc1cccc(C[NH+]2CCN(C(=S)Nc3ccc(OC)c(OC)c3)CC2)c1 ZINC000013767892 569257650 /nfs/dbraw/zinc/25/76/50/569257650.db2.gz RQXUBRGXIVEJEA-UHFFFAOYSA-N 1 2 401.532 3.227 50 0 HGAALO O=C(C[NH+]1CCN(CCOc2ccc(Cl)cc2Cl)CC1)N1CCCCC1 ZINC000089768400 569263696 /nfs/dbraw/zinc/26/36/96/569263696.db2.gz DWLQEOMXKWDMPF-UHFFFAOYSA-N 1 2 400.350 3.002 50 0 HGAALO O=C(Cn1nc(C(F)(F)F)c2c[nH+]ccc21)Nc1cccc(N2CCCC2=O)c1 ZINC000089779472 569263873 /nfs/dbraw/zinc/26/38/73/569263873.db2.gz HIVQYZDDJKQGGV-UHFFFAOYSA-N 1 2 403.364 3.216 50 0 HGAALO CCCn1c(C[N@H+](C)[C@@H](C)c2ccccn2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000089960699 569270130 /nfs/dbraw/zinc/27/01/30/569270130.db2.gz FZNUQPLTGLHMLO-INIZCTEOSA-N 1 2 415.563 3.285 50 0 HGAALO CCCn1c(C[N@@H+](C)[C@@H](C)c2ccccn2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000089960699 569270131 /nfs/dbraw/zinc/27/01/31/569270131.db2.gz FZNUQPLTGLHMLO-INIZCTEOSA-N 1 2 415.563 3.285 50 0 HGAALO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccoc2)[NH+]2CCSCC2)cc1Cl ZINC000253405948 569365958 /nfs/dbraw/zinc/36/59/58/569365958.db2.gz TZMOFVZKJXRLOO-QGZVFWFLSA-N 1 2 407.923 3.086 50 0 HGAALO COc1cc(Cl)ccc1C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000253423092 569367966 /nfs/dbraw/zinc/36/79/66/569367966.db2.gz KMESTRPNUYYRLF-INIZCTEOSA-N 1 2 423.941 3.116 50 0 HGAALO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCCN(c3ccccc3Cl)CC2)c1 ZINC000253429329 569368809 /nfs/dbraw/zinc/36/88/09/569368809.db2.gz MSERCCWEHFNLNY-UHFFFAOYSA-N 1 2 408.951 3.335 50 0 HGAALO CS(=O)(=O)c1cccc(OCC[N@H+]2CCCN(c3ccccc3Cl)CC2)c1 ZINC000253429329 569368810 /nfs/dbraw/zinc/36/88/10/569368810.db2.gz MSERCCWEHFNLNY-UHFFFAOYSA-N 1 2 408.951 3.335 50 0 HGAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+]1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000002303708 569372304 /nfs/dbraw/zinc/37/23/04/569372304.db2.gz PCQFRRDDNLOOAU-QGZVFWFLSA-N 1 2 420.513 3.412 50 0 HGAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@H+]1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000002303708 569372305 /nfs/dbraw/zinc/37/23/05/569372305.db2.gz PCQFRRDDNLOOAU-QGZVFWFLSA-N 1 2 420.513 3.412 50 0 HGAALO Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000012561387 569401866 /nfs/dbraw/zinc/40/18/66/569401866.db2.gz AQPJIRFFOASZIM-JWGURIENSA-N 1 2 402.498 3.477 50 0 HGAALO C[C@@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000013059639 569408302 /nfs/dbraw/zinc/40/83/02/569408302.db2.gz DAIOVZFXSGTTNF-NRFANRHFSA-N 1 2 414.412 3.379 50 0 HGAALO Cc1cccn2cc(COc3ccccc3C(=O)N3CC[S@@](=O)C(C)(C)C3)[nH+]c12 ZINC000079071724 569426864 /nfs/dbraw/zinc/42/68/64/569426864.db2.gz WXJBPDJAMSAQAN-LJAQVGFWSA-N 1 2 411.527 3.205 50 0 HGAALO O=C(NCc1ccccc1Cn1cccn1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000040152319 571200010 /nfs/dbraw/zinc/20/00/10/571200010.db2.gz RCFSKCUOOAXZLS-UHFFFAOYSA-N 1 2 405.502 3.085 50 0 HGAALO Cc1noc(-c2ccc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCOCC3)cc2)n1 ZINC000040156871 571203636 /nfs/dbraw/zinc/20/36/36/571203636.db2.gz MGGFDAASJXBDNH-OAQYLSRUSA-N 1 2 406.486 3.157 50 0 HGAALO Cc1noc(-c2ccc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCOCC3)cc2)n1 ZINC000040156872 571203703 /nfs/dbraw/zinc/20/37/03/571203703.db2.gz MGGFDAASJXBDNH-NRFANRHFSA-N 1 2 406.486 3.157 50 0 HGAALO CCOc1cc([C@@H]2C(C(N)=O)=C(C)N=C3[NH+]=C(C)NN32)ccc1OCc1ccccc1 ZINC000010434293 571302644 /nfs/dbraw/zinc/30/26/44/571302644.db2.gz PNCTZPIGAMSBFF-OAQYLSRUSA-N 1 2 419.485 3.073 50 0 HGAALO CCc1cccc(NC(=O)Nc2cnc(N3CCN(c4cccc[nH+]4)CC3)nc2)c1 ZINC000077196672 571312475 /nfs/dbraw/zinc/31/24/75/571312475.db2.gz MXMAKXAIWMDUGN-UHFFFAOYSA-N 1 2 403.490 3.405 50 0 HGAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(=O)c3scc4c3CCCC4)C2)CC1 ZINC000055072340 571315299 /nfs/dbraw/zinc/31/52/99/571315299.db2.gz JVZYBRBKVLMTJY-KRWDZBQOSA-N 1 2 405.564 3.006 50 0 HGAALO CCCCN(C)C(=O)CCC(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 ZINC000004118820 132271456 /nfs/dbraw/zinc/27/14/56/132271456.db2.gz HAIXTERLJBWOOJ-UHFFFAOYSA-N 1 2 412.534 3.357 50 0 HGAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)CCC(=O)N3CCCCC3)cc12 ZINC000004142733 132272169 /nfs/dbraw/zinc/27/21/69/132272169.db2.gz YDKPMKQHYNYZED-UHFFFAOYSA-N 1 2 410.518 3.111 50 0 HGAALO Cc1ccc(C[S@](=O)Cc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)o2)cc1 ZINC000006895703 132319991 /nfs/dbraw/zinc/31/99/91/132319991.db2.gz BEFTZKNTQWZKBF-SSEXGKCCSA-N 1 2 423.538 3.394 50 0 HGAALO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008318596 132329520 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O=C1C(=O)N(C2CCCC2)C(=O)N1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000023805783 526949858 /nfs/dbraw/zinc/94/98/58/526949858.db2.gz OZUCKHSFFGDGKX-UHFFFAOYSA-N 1 2 412.515 3.167 50 0 HGAALO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1C[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000032935455 527121643 /nfs/dbraw/zinc/12/16/43/527121643.db2.gz YQSNHOHNOANYNJ-CHWSQXEVSA-N 1 2 413.301 3.207 50 0 HGAALO COc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 ZINC000002662382 537069465 /nfs/dbraw/zinc/06/94/65/537069465.db2.gz IIIOOMKGDPDZRG-JOCHJYFZSA-N 1 2 415.493 3.303 50 0 HGAALO COc1cccc(-n2nc(C)c(CCC(=O)N3CCN(c4cccc[nH+]4)CC3)c2C)c1 ZINC000008719217 537073180 /nfs/dbraw/zinc/07/31/80/537073180.db2.gz WADXJEWMQMAJDM-UHFFFAOYSA-N 1 2 419.529 3.174 50 0 HGAALO COc1ccccc1C[NH+]1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1 ZINC000034678111 557365990 /nfs/dbraw/zinc/36/59/90/557365990.db2.gz SBHFLQCOCQFXOG-UHFFFAOYSA-N 1 2 412.534 3.064 50 0 HGAALO Cc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000004892276 557610599 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/nfs/dbraw/zinc/01/96/63/569019663.db2.gz QTKSBTXSEFWZJH-QFBILLFUSA-N 1 2 408.502 3.099 50 0 HGAALO CC[C@H](C(=O)Nc1ccccc1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012888052 569019664 /nfs/dbraw/zinc/01/96/64/569019664.db2.gz QTKSBTXSEFWZJH-QFBILLFUSA-N 1 2 408.502 3.099 50 0 HGAALO Cc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4c(C)cccc4C)CC3)NC2=O)cc1C ZINC000035430753 569036846 /nfs/dbraw/zinc/03/68/46/569036846.db2.gz HKKUWDKERZJWQJ-UHFFFAOYSA-N 1 2 418.541 3.270 50 0 biogenic HGAALO CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000021835486 569042332 /nfs/dbraw/zinc/04/23/32/569042332.db2.gz ODCDYNQZNRMINK-SRLUVNLFSA-N 1 2 405.542 3.299 50 0 HGAALO CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000021835483 569042334 /nfs/dbraw/zinc/04/23/34/569042334.db2.gz ODCDYNQZNRMINK-JYLQPTBZSA-N 1 2 405.542 3.299 50 0 HGAALO CC(C)Sc1ccc(CC(=O)N2CCCSC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000090609152 569042466 /nfs/dbraw/zinc/04/24/66/569042466.db2.gz 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/nfs/dbraw/zinc/05/60/03/569056003.db2.gz ONUBWOOSJJPPIG-MYGLTJDJSA-N 1 2 402.494 3.393 50 0 HGAALO CC[C@H](C)N1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)NC(C)(C)C)CC2 ZINC000036026760 569079803 /nfs/dbraw/zinc/07/98/03/569079803.db2.gz AGWJTXFFRQNODN-PKOBYXMFSA-N 1 2 400.567 3.128 50 0 HGAALO CC[C@H](C)N1C(=O)[C@@H](CC(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036032835 569079980 /nfs/dbraw/zinc/07/99/80/569079980.db2.gz LYVQWLFNUUSBBX-AZUAARDMSA-N 1 2 421.607 3.121 50 0 HGAALO C[NH+]1CCN(C(=O)c2coc(CN(Cc3ccccc3)Cc3ccc(F)cc3)n2)CC1 ZINC000036072321 569086436 /nfs/dbraw/zinc/08/64/36/569086436.db2.gz PKRZTGGIVQJZLN-UHFFFAOYSA-N 1 2 422.504 3.404 50 0 HGAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCCCC1)NCc1ccc(F)cc1Cl ZINC000064761556 569091915 /nfs/dbraw/zinc/09/19/15/569091915.db2.gz KZSTZIOTSHCAQD-UHFFFAOYSA-N 1 2 416.888 3.316 50 0 HGAALO Cc1cccc(C(=O)N2CC[NH+]([C@H](C(=O)NCc3ccccn3)C3CCCC3)CC2)c1 ZINC000036253566 569120007 /nfs/dbraw/zinc/12/00/07/569120007.db2.gz UULUXMBOYFTESX-QHCPKHFHSA-N 1 2 420.557 3.023 50 0 HGAALO CC(C)CC(=O)N1CC[NH+]([C@H](C(=O)NCc2cccc(F)c2)C2CCCC2)CC1 ZINC000036254795 569120110 /nfs/dbraw/zinc/12/01/10/569120110.db2.gz JXXYTWKCXWDKCR-QFIPXVFZSA-N 1 2 403.542 3.191 50 0 HGAALO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000036259505 569120293 /nfs/dbraw/zinc/12/02/93/569120293.db2.gz SONXNFPQGJNSEO-UHFFFAOYSA-N 1 2 401.510 3.420 50 0 HGAALO O=C(C1CC1)N(CC[NH+]1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036312327 569132743 /nfs/dbraw/zinc/13/27/43/569132743.db2.gz IZQWTCOXFXKRHC-UHFFFAOYSA-N 1 2 424.545 3.013 50 0 HGAALO COc1c(C)c[nH+]c(Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)c1C ZINC000169754412 569161095 /nfs/dbraw/zinc/16/10/95/569161095.db2.gz QCYDZEGXDOYJNH-UHFFFAOYSA-N 1 2 413.905 3.476 50 0 HGAALO O=C(c1ccc2c(c1)CC(=O)N2Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065210767 569196201 /nfs/dbraw/zinc/19/62/01/569196201.db2.gz WIVWLPDQOLGBHP-UHFFFAOYSA-N 1 2 412.493 3.133 50 0 HGAALO Fc1ccc(-c2noc(-c3nnc(NCC[NH+]4CCOCC4)c4ccccc43)n2)cc1 ZINC000065258328 569210181 /nfs/dbraw/zinc/21/01/81/569210181.db2.gz VNWAYXMUJIMDEJ-UHFFFAOYSA-N 1 2 420.448 3.230 50 0 HGAALO COC(=O)C[C@@H](c1ccco1)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524731863 569212420 /nfs/dbraw/zinc/21/24/20/569212420.db2.gz MVEBLBOJZXTKFF-SFHVURJKSA-N 1 2 409.438 3.192 50 0 biogenic HGAALO COC(=O)C[C@@H](c1ccco1)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524731863 569212421 /nfs/dbraw/zinc/21/24/21/569212421.db2.gz MVEBLBOJZXTKFF-SFHVURJKSA-N 1 2 409.438 3.192 50 0 biogenic HGAALO CN(CCc1ccncc1)C(=O)CCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000065274312 569215104 /nfs/dbraw/zinc/21/51/04/569215104.db2.gz PKSNGSYNQPPURD-UHFFFAOYSA-N 1 2 408.550 3.144 50 0 HGAALO CN(CCc1ccncc1)C(=O)CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000065274312 569215105 /nfs/dbraw/zinc/21/51/05/569215105.db2.gz PKSNGSYNQPPURD-UHFFFAOYSA-N 1 2 408.550 3.144 50 0 HGAALO CC(C)Cc1[nH]c2ccc(NC(=O)C[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)cc2[nH+]1 ZINC000170625535 569250099 /nfs/dbraw/zinc/25/00/99/569250099.db2.gz HKIFXZNYQCGUKY-IBGZPJMESA-N 1 2 419.485 3.211 50 0 HGAALO CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1c(F)cccc1Cl ZINC000010024859 569252754 /nfs/dbraw/zinc/25/27/54/569252754.db2.gz MBLCQMSWEOLKIG-UHFFFAOYSA-N 1 2 419.928 3.060 50 0 HGAALO NC(=O)CSc1ccccc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000089811932 569266480 /nfs/dbraw/zinc/26/64/80/569266480.db2.gz RLOAEDXZFQWRIL-UHFFFAOYSA-N 1 2 404.495 3.432 50 0 HGAALO CCOC(=O)C1=C(C[N@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)NC(=O)N[C@@H]1C ZINC000014814185 569281758 /nfs/dbraw/zinc/28/17/58/569281758.db2.gz GOHLCEDCABWBBI-QVKFZJNVSA-N 1 2 411.477 3.365 50 0 HGAALO CCOC(=O)C1=C(C[N@@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)NC(=O)N[C@@H]1C ZINC000014814185 569281760 /nfs/dbraw/zinc/28/17/60/569281760.db2.gz GOHLCEDCABWBBI-QVKFZJNVSA-N 1 2 411.477 3.365 50 0 HGAALO Cc1nc(N2CCC(NC(=O)c3ccc(Br)o3)CC2)c2c([nH+]1)CCCC2 ZINC000253401369 569365694 /nfs/dbraw/zinc/36/56/94/569365694.db2.gz MSYMJWCBLMTPJJ-UHFFFAOYSA-N 1 2 419.323 3.418 50 0 HGAALO O=C(Nc1ccccc1)NC1CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000055052221 569380491 /nfs/dbraw/zinc/38/04/91/569380491.db2.gz HJFQYDQAYYDBGR-UHFFFAOYSA-N 1 2 401.532 3.137 50 0 HGAALO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2c[nH+]c[nH]2)cc1OC ZINC000078878701 569421312 /nfs/dbraw/zinc/42/13/12/569421312.db2.gz ZBHWIDONTZTHHN-UHFFFAOYSA-N 1 2 403.442 3.210 50 0 HGAALO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2c[nH]c[nH+]2)cc1OC ZINC000078878701 569421314 /nfs/dbraw/zinc/42/13/14/569421314.db2.gz ZBHWIDONTZTHHN-UHFFFAOYSA-N 1 2 403.442 3.210 50 0 HGAALO CCC[C@@H](C(=O)N[C@H]1CCc2c1cccc2O)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078971980 569422622 /nfs/dbraw/zinc/42/26/22/569422622.db2.gz INCBAPQXAZRLIM-OALUTQOASA-N 1 2 417.550 3.217 50 0 HGAALO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3csc(-c4ccccn4)n3)CC2)n1 ZINC000079022057 569424427 /nfs/dbraw/zinc/42/44/27/569424427.db2.gz MWGFYJLUXVIOCS-HNNXBMFYSA-N 1 2 414.535 3.003 50 0 HGAALO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3csc(-c4ccccn4)n3)CC2)n1 ZINC000079022057 569424429 /nfs/dbraw/zinc/42/44/29/569424429.db2.gz MWGFYJLUXVIOCS-HNNXBMFYSA-N 1 2 414.535 3.003 50 0 HGAALO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000008533880 571075205 /nfs/dbraw/zinc/07/52/05/571075205.db2.gz VJPPOZJRNOTXRH-NSHDSACASA-N 1 2 416.330 3.100 50 0 HGAALO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000008533880 571075207 /nfs/dbraw/zinc/07/52/07/571075207.db2.gz VJPPOZJRNOTXRH-NSHDSACASA-N 1 2 416.330 3.100 50 0 HGAALO COc1cc(OC)cc([C@@H](NS(=O)(=O)c2cccc(Cl)c2)c2[nH+]ccn2C)c1 ZINC000008720038 571106738 /nfs/dbraw/zinc/10/67/38/571106738.db2.gz QLKYNQOQLMWRHU-GOSISDBHSA-N 1 2 421.906 3.159 50 0 HGAALO O=C(C[NH+]1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1)N1CCCC1 ZINC000040096483 571162005 /nfs/dbraw/zinc/16/20/05/571162005.db2.gz VVAZCWBARKBRNS-UHFFFAOYSA-N 1 2 408.502 3.251 50 0 HGAALO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000040120203 571176219 /nfs/dbraw/zinc/17/62/19/571176219.db2.gz ISNITIAUDVVCRQ-CQSZACIVSA-N 1 2 404.461 3.237 50 0 HGAALO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000040152720 571200250 /nfs/dbraw/zinc/20/02/50/571200250.db2.gz PUTIRFBBOPGWGM-UHFFFAOYSA-N 1 2 411.477 3.440 50 0 HGAALO Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000244950788 571210717 /nfs/dbraw/zinc/21/07/17/571210717.db2.gz FLSMQLKXKGXIEE-HNNXBMFYSA-N 1 2 400.953 3.310 50 0 HGAALO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000245026679 571212104 /nfs/dbraw/zinc/21/21/04/571212104.db2.gz NFVXKCMWGJUPEJ-OAHLLOKOSA-N 1 2 420.478 3.367 50 0 HGAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000069415628 571227795 /nfs/dbraw/zinc/22/77/95/571227795.db2.gz DUUUXLBPBDAPAZ-MOPGFXCFSA-N 1 2 404.518 3.486 50 0 HGAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000069415628 571227797 /nfs/dbraw/zinc/22/77/97/571227797.db2.gz DUUUXLBPBDAPAZ-MOPGFXCFSA-N 1 2 404.518 3.486 50 0 HGAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(OC)cc2)CC1 ZINC000009265260 571244005 /nfs/dbraw/zinc/24/40/05/571244005.db2.gz JUCIPZOKEUQEKX-UHFFFAOYSA-N 1 2 421.497 3.400 50 0 HGAALO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000002378177 132253728 /nfs/dbraw/zinc/25/37/28/132253728.db2.gz OGVXGXBLJGLUHA-UHFFFAOYSA-N 1 2 404.449 3.290 50 0 HGAALO Cc1cccc([S@](=O)Cc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)o2)c1 ZINC000006895195 132320016 /nfs/dbraw/zinc/32/00/16/132320016.db2.gz ORBOKYVNXRDEHH-LJAQVGFWSA-N 1 2 409.511 3.253 50 0 HGAALO Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c(C)o1 ZINC000012111869 132354106 /nfs/dbraw/zinc/35/41/06/132354106.db2.gz KXQWWLQRGSGNJN-FQEVSTJZSA-N 1 2 424.545 3.273 50 0 HGAALO O=C(CSc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000012844995 132367708 /nfs/dbraw/zinc/36/77/08/132367708.db2.gz WHIJPIQECWBPAU-UHFFFAOYSA-N 1 2 422.348 3.089 50 0 HGAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000023873236 132482325 /nfs/dbraw/zinc/48/23/25/132482325.db2.gz QGFNGLBBADOKKQ-UHFFFAOYSA-N 1 2 421.570 3.220 50 0 HGAALO COC(=O)[C@@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(C)C ZINC000043845604 523529232 /nfs/dbraw/zinc/52/92/32/523529232.db2.gz VHFQNJLFEKDVQU-LJQANCHMSA-N 1 2 400.519 3.431 50 0 HGAALO COC(=O)[C@@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(C)C ZINC000043845604 523529252 /nfs/dbraw/zinc/52/92/52/523529252.db2.gz VHFQNJLFEKDVQU-LJQANCHMSA-N 1 2 400.519 3.431 50 0 HGAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc43)cc2)CC1 ZINC000032744700 523914929 /nfs/dbraw/zinc/91/49/29/523914929.db2.gz GYDHIHPUDJBCIQ-UHFFFAOYSA-N 1 2 409.511 3.028 50 0 HGAALO COc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCO2)c1[nH+]ccn1C ZINC000032802544 524739436 /nfs/dbraw/zinc/73/94/36/524739436.db2.gz HKWAXMIYQIZRFV-JLTOFOAXSA-N 1 2 408.458 3.307 50 0 HGAALO COc1ccc(OC)c(CN2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)c1 ZINC000032751457 524828071 /nfs/dbraw/zinc/82/80/71/524828071.db2.gz MKECULLHYWIRFG-SIKLNZKXSA-N 1 2 415.578 3.003 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)c1 ZINC000032751457 524828082 /nfs/dbraw/zinc/82/80/82/524828082.db2.gz MKECULLHYWIRFG-SIKLNZKXSA-N 1 2 415.578 3.003 50 0 HGAALO COc1ccc(OC)c(CN2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)c1 ZINC000032751454 524828846 /nfs/dbraw/zinc/82/88/46/524828846.db2.gz MKECULLHYWIRFG-UGKGYDQZSA-N 1 2 415.578 3.003 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)c1 ZINC000032751454 524828857 /nfs/dbraw/zinc/82/88/57/524828857.db2.gz MKECULLHYWIRFG-UGKGYDQZSA-N 1 2 415.578 3.003 50 0 HGAALO Cc1cc(N2CCN(CC(=O)NCc3cccc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000032797358 525078550 /nfs/dbraw/zinc/07/85/50/525078550.db2.gz OGXGBCMTFHIBSX-UHFFFAOYSA-N 1 2 401.942 3.000 50 0 HGAALO C[C@H](NC(=O)N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000032802247 525098878 /nfs/dbraw/zinc/09/88/78/525098878.db2.gz RVJJUHRMYACAOM-WMZHIEFXSA-N 1 2 419.529 3.306 50 0 HGAALO O=C(C[NH+]1CCN(CCOc2ccc(Cl)cc2Cl)CC1)N1CCCCCC1 ZINC000052685053 526770707 /nfs/dbraw/zinc/77/07/07/526770707.db2.gz MBRSXMRXWPJKEW-UHFFFAOYSA-N 1 2 414.377 3.392 50 0 HGAALO NC(=O)CCn1c(SCc2[nH+]ccn2Cc2ccccc2)nnc1-c1cccs1 ZINC000032778958 526877830 /nfs/dbraw/zinc/87/78/30/526877830.db2.gz FNUNNQSNQRJHHI-UHFFFAOYSA-N 1 2 424.555 3.419 50 0 HGAALO O=C(c1nc(N2CCCCC2)ncc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000044366660 526916622 /nfs/dbraw/zinc/91/66/22/526916622.db2.gz FMOCVERKFARHMU-UHFFFAOYSA-N 1 2 405.955 3.140 50 0 HGAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020351708 527029112 /nfs/dbraw/zinc/02/91/12/527029112.db2.gz BBNDQBPNNUNRIG-SFHVURJKSA-N 1 2 405.832 3.072 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)CN1c2ccccc2OCCC1=O)c1ccc(Cl)cc1 ZINC000032772765 527451229 /nfs/dbraw/zinc/45/12/29/527451229.db2.gz FNCSFVKWMYZGIQ-NRFANRHFSA-N 1 2 424.888 3.095 50 0 HGAALO O=C(NCc1ccco1)c1coc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000034677941 557365723 /nfs/dbraw/zinc/36/57/23/557365723.db2.gz ITQIMUAGXCKAPX-UHFFFAOYSA-N 1 2 414.893 3.169 50 0 HGAALO O=C(Cc1ccc(F)cc1)N1CCc2[nH+]c(N3CCCC3)nc(N3CCCCC3)c2C1 ZINC000034756227 557458772 /nfs/dbraw/zinc/45/87/72/557458772.db2.gz XVUDROUPIDBXMQ-UHFFFAOYSA-N 1 2 423.536 3.334 50 0 HGAALO CCc1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000022786120 557820374 /nfs/dbraw/zinc/82/03/74/557820374.db2.gz RVJBTSLLVDUQAB-SFHVURJKSA-N 1 2 411.546 3.411 50 0 HGAALO COc1cc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)cc1C ZINC000011027273 558262116 /nfs/dbraw/zinc/26/21/16/558262116.db2.gz ZLRXCIWYYPHBLX-HNNXBMFYSA-N 1 2 401.488 3.237 50 0 HGAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 ZINC000011818137 558281235 /nfs/dbraw/zinc/28/12/35/558281235.db2.gz FOAXSXXRIWCDBI-UHFFFAOYSA-N 1 2 420.517 3.439 50 0 HGAALO c1ccc(Cn2c3ccccc3c3nnc(SCC[NH+]4CCOCC4)nc32)cc1 ZINC000019818659 558288903 /nfs/dbraw/zinc/28/89/03/558288903.db2.gz UTVBZNBFQXNKGK-UHFFFAOYSA-N 1 2 405.527 3.452 50 0 HGAALO COc1ccccc1[C@@H]1CN(CC(=O)NCCCn2cc[nH+]c2)Cc2ccccc2O1 ZINC000011912234 558297153 /nfs/dbraw/zinc/29/71/53/558297153.db2.gz PVMLBUQMDUVXTN-QHCPKHFHSA-N 1 2 420.513 3.034 50 0 HGAALO CCCCn1c(CN(C)Cc2[nH]cc(C)[nH+]2)cnc1S(=O)(=O)C1CCCCC1 ZINC000011933748 558298355 /nfs/dbraw/zinc/29/83/55/558298355.db2.gz APVNVMONXWKYTE-UHFFFAOYSA-N 1 2 407.584 3.453 50 0 HGAALO O=C1C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000019877471 558300309 /nfs/dbraw/zinc/30/03/09/558300309.db2.gz VKSBAZAEWUHMLS-SNXGKTBFSA-N 1 2 423.944 3.299 50 0 HGAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000019908654 558305877 /nfs/dbraw/zinc/30/58/77/558305877.db2.gz DEIMZQFQSGMUHB-UHFFFAOYSA-N 1 2 422.312 3.308 50 0 HGAALO COc1ccccc1OC[C@H](O)Cn1c2ccccc2n(Cc2ccccc2)c1=[NH2+] ZINC000020324855 558355634 /nfs/dbraw/zinc/35/56/34/558355634.db2.gz QSARQDDLCZSVDS-LJQANCHMSA-N 1 2 403.482 3.419 50 0 aggregator HGAALO COCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@@H+](C)C3 ZINC000020358921 558358191 /nfs/dbraw/zinc/35/81/91/558358191.db2.gz QJWOMNCFMGMBOZ-UHFFFAOYSA-N 1 2 417.556 3.182 50 0 HGAALO COCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@H+](C)C3 ZINC000020358921 558358194 /nfs/dbraw/zinc/35/81/94/558358194.db2.gz QJWOMNCFMGMBOZ-UHFFFAOYSA-N 1 2 417.556 3.182 50 0 HGAALO O=C(c1nc2ccc(Cl)cn2c1C[NH+]1CCC(O)CC1)N1CCc2ccccc2C1 ZINC000012299863 558369801 /nfs/dbraw/zinc/36/98/01/558369801.db2.gz WXJJFGALLCFKMF-UHFFFAOYSA-N 1 2 424.932 3.143 50 0 HGAALO O=C(c1nc2ccc(Cl)cn2c1C[N@H+]1CCC[C@@H](O)C1)N1CCc2ccccc2C1 ZINC000012301394 558370957 /nfs/dbraw/zinc/37/09/57/558370957.db2.gz ZSZDVFBIUZUVJB-LJQANCHMSA-N 1 2 424.932 3.143 50 0 HGAALO O=C(c1nc2ccc(Cl)cn2c1C[N@@H+]1CCC[C@@H](O)C1)N1CCc2ccccc2C1 ZINC000012301394 558370958 /nfs/dbraw/zinc/37/09/58/558370958.db2.gz ZSZDVFBIUZUVJB-LJQANCHMSA-N 1 2 424.932 3.143 50 0 HGAALO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000012317367 558380822 /nfs/dbraw/zinc/38/08/22/558380822.db2.gz HVMGMQAYHLQPFQ-UHFFFAOYSA-N 1 2 414.525 3.427 50 0 HGAALO Cc1nc(-c2cc3ccc(OCC(=O)NCCCn4cc[nH+]c4)cc3oc2=O)cs1 ZINC000020722106 558403422 /nfs/dbraw/zinc/40/34/22/558403422.db2.gz GLVYVMQSLNQJPC-UHFFFAOYSA-N 1 2 424.482 3.007 50 0 HGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO ZINC000020778043 558412063 /nfs/dbraw/zinc/41/20/63/558412063.db2.gz IRFVBAPTDHWPCZ-DEOSSOPVSA-N 1 2 420.557 3.340 50 0 HGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO ZINC000020778043 558412066 /nfs/dbraw/zinc/41/20/66/558412066.db2.gz IRFVBAPTDHWPCZ-DEOSSOPVSA-N 1 2 420.557 3.340 50 0 HGAALO COc1ccc(Cc2noc(C[N@H+](C)Cc3ccc(-n4cccn4)cc3)n2)cc1OC ZINC000012441947 558412275 /nfs/dbraw/zinc/41/22/75/558412275.db2.gz RSYBDFXNAYPJJQ-UHFFFAOYSA-N 1 2 419.485 3.495 50 0 HGAALO COc1ccc(Cc2noc(C[N@@H+](C)Cc3ccc(-n4cccn4)cc3)n2)cc1OC ZINC000012441947 558412279 /nfs/dbraw/zinc/41/22/79/558412279.db2.gz RSYBDFXNAYPJJQ-UHFFFAOYSA-N 1 2 419.485 3.495 50 0 HGAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000020907066 558421448 /nfs/dbraw/zinc/42/14/48/558421448.db2.gz AQGWNZAWLOSFJD-UHFFFAOYSA-N 1 2 408.477 3.351 50 0 HGAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000004341005 558424825 /nfs/dbraw/zinc/42/48/25/558424825.db2.gz ZHICFMWVCYQIGE-INIZCTEOSA-N 1 2 400.504 3.042 50 0 HGAALO Cc1csc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000004341582 558425149 /nfs/dbraw/zinc/42/51/49/558425149.db2.gz KWBKZEAZADWLNM-UHFFFAOYSA-N 1 2 400.464 3.450 50 0 HGAALO Cc1cc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)no1 ZINC000004341707 558425420 /nfs/dbraw/zinc/42/54/20/558425420.db2.gz JKJULAMRVZMLOW-UHFFFAOYSA-N 1 2 400.851 3.496 50 0 HGAALO O=C(CC[C@@H]1CCCN(C(=O)c2cccs2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012712045 558453062 /nfs/dbraw/zinc/45/30/62/558453062.db2.gz GWHFHKDVTBCBAH-SFHVURJKSA-N 1 2 412.559 3.124 50 0 HGAALO CCOc1ccc(C[N@H+](C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)cc1 ZINC000021917514 558455418 /nfs/dbraw/zinc/45/54/18/558455418.db2.gz YPIHSAKEKVCLOY-UHFFFAOYSA-N 1 2 401.488 3.110 50 0 HGAALO CCOc1ccc(C[N@@H+](C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)cc1 ZINC000021917514 558455420 /nfs/dbraw/zinc/45/54/20/558455420.db2.gz YPIHSAKEKVCLOY-UHFFFAOYSA-N 1 2 401.488 3.110 50 0 HGAALO CCS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)c2nc3ccccc3s2)c1 ZINC000005242516 558465265 /nfs/dbraw/zinc/46/52/65/558465265.db2.gz KYDUCBGHMAUSPQ-UHFFFAOYSA-N 1 2 417.556 3.298 50 0 HGAALO CCCCOc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)c2ccccc12 ZINC000012869915 558482215 /nfs/dbraw/zinc/48/22/15/558482215.db2.gz BUVDWJFWFSWPKJ-UHFFFAOYSA-N 1 2 406.548 3.019 50 0 HGAALO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1F ZINC000022772792 558509019 /nfs/dbraw/zinc/50/90/19/558509019.db2.gz ZMQQXEHAYFONJG-SJORKVTESA-N 1 2 417.500 3.357 50 0 HGAALO Cc1ccc(S(=O)(=O)N2CCN(Cn3c[nH+]c4cc(C)c(C)cc43)CC2)cc1C ZINC000013059087 558509449 /nfs/dbraw/zinc/50/94/49/558509449.db2.gz UNWXMDBREITYOU-UHFFFAOYSA-N 1 2 412.559 3.234 50 0 HGAALO COc1ccc(C[NH+]2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1OC ZINC000022793811 558512257 /nfs/dbraw/zinc/51/22/57/558512257.db2.gz IFPMOKOWGQSMAG-UHFFFAOYSA-N 1 2 411.546 3.458 50 0 HGAALO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000022834527 558515835 /nfs/dbraw/zinc/51/58/35/558515835.db2.gz FHVABCPZMJNXLH-UHFFFAOYSA-N 1 2 405.376 3.086 50 0 HGAALO C[N@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000022834527 558515838 /nfs/dbraw/zinc/51/58/38/558515838.db2.gz FHVABCPZMJNXLH-UHFFFAOYSA-N 1 2 405.376 3.086 50 0 HGAALO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccco3)CC2)c(Br)c1 ZINC000022930631 558524179 /nfs/dbraw/zinc/52/41/79/558524179.db2.gz URRAWFBIUDGSOV-HNNXBMFYSA-N 1 2 406.324 3.495 50 0 HGAALO O=C1C[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000022930871 558524260 /nfs/dbraw/zinc/52/42/60/558524260.db2.gz ZKZKFZJHYWQMDG-WKOQKXSESA-N 1 2 409.917 3.303 50 0 HGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(NC(C)=O)cc2)C[C@@H]1CCO ZINC000023358714 558551358 /nfs/dbraw/zinc/55/13/58/558551358.db2.gz STDBWQHNQMVCPY-QHCPKHFHSA-N 1 2 411.546 3.113 50 0 HGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(NC(C)=O)cc2)C[C@@H]1CCO ZINC000023358714 558551360 /nfs/dbraw/zinc/55/13/60/558551360.db2.gz STDBWQHNQMVCPY-QHCPKHFHSA-N 1 2 411.546 3.113 50 0 HGAALO Cc1ccccc1C(=O)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023373360 558553527 /nfs/dbraw/zinc/55/35/27/558553527.db2.gz OTHSHJCTNDLCOZ-NRFANRHFSA-N 1 2 421.541 3.146 50 0 HGAALO Cc1nnc(SCC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1C1CC1 ZINC000023732551 558571890 /nfs/dbraw/zinc/57/18/90/558571890.db2.gz BQUPQCFBNZWRJP-UHFFFAOYSA-N 1 2 413.591 3.481 50 0 HGAALO C[C@]1(c2ccco2)NC(=O)N(C[NH+]2CCC(c3nc4ccccc4s3)CC2)C1=O ZINC000023881094 558579579 /nfs/dbraw/zinc/57/95/79/558579579.db2.gz HPGPVAUHVSQRLU-OAQYLSRUSA-N 1 2 410.499 3.493 50 0 HGAALO CNC(=O)NC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000023995959 558584285 /nfs/dbraw/zinc/58/42/85/558584285.db2.gz DQLPDZZDPIRGNO-QGZVFWFLSA-N 1 2 420.307 3.086 50 0 HGAALO CNC(=O)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000023995959 558584286 /nfs/dbraw/zinc/58/42/86/558584286.db2.gz DQLPDZZDPIRGNO-QGZVFWFLSA-N 1 2 420.307 3.086 50 0 HGAALO COc1ccc([C@@H](NC(=O)c2ccc3c(c2)NC(=O)CCS3)c2[nH+]ccn2C)cc1 ZINC000024025742 558585217 /nfs/dbraw/zinc/58/52/17/558585217.db2.gz DBRHCONGGSRRTR-HXUWFJFHSA-N 1 2 422.510 3.382 50 0 HGAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000024177619 558591075 /nfs/dbraw/zinc/59/10/75/558591075.db2.gz LAZPOWXGKOCPOC-SFHVURJKSA-N 1 2 421.570 3.220 50 0 HGAALO CCN(C(=O)C[N@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2)C1=CCCCC1 ZINC000024213412 558592311 /nfs/dbraw/zinc/59/23/11/558592311.db2.gz GZOUJDSTMLUBCB-UHFFFAOYSA-N 1 2 401.507 3.025 50 0 HGAALO CCN(C(=O)C[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2)C1=CCCCC1 ZINC000024213412 558592313 /nfs/dbraw/zinc/59/23/13/558592313.db2.gz GZOUJDSTMLUBCB-UHFFFAOYSA-N 1 2 401.507 3.025 50 0 HGAALO O=S(=O)(c1cc(F)ccc1F)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000024259763 558593666 /nfs/dbraw/zinc/59/36/66/558593666.db2.gz IJXKHLPBRDOEJM-UHFFFAOYSA-N 1 2 403.454 3.020 50 0 HGAALO O=C(c1cccnc1N1CCCC1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000014108287 558620322 /nfs/dbraw/zinc/62/03/22/558620322.db2.gz GENHJZSVRHPKLI-UHFFFAOYSA-N 1 2 414.937 3.172 50 0 HGAALO COc1cc(OC)cc([C@H](NC(=O)c2cnn(-c3ccccc3)c2)c2[nH+]ccn2C)c1 ZINC000024925404 558620662 /nfs/dbraw/zinc/62/06/62/558620662.db2.gz LYWBIEHRKJPWGK-NRFANRHFSA-N 1 2 417.469 3.142 50 0 HGAALO CCCNC(=O)NC(=O)CSc1nc(N)c(-c2ccc(Cl)cc2)c(CC)[nH+]1 ZINC000024987771 558625443 /nfs/dbraw/zinc/62/54/43/558625443.db2.gz WKEICAXVRGBHKG-UHFFFAOYSA-N 1 2 407.927 3.270 50 0 HGAALO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c1C ZINC000072236018 558635508 /nfs/dbraw/zinc/63/55/08/558635508.db2.gz UAQZIYDHPZPAPS-OAHLLOKOSA-N 1 2 412.486 3.290 50 0 HGAALO Cn1cc[nH+]c1[C@H](NC(=O)CSc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC000025256859 558636205 /nfs/dbraw/zinc/63/62/05/558636205.db2.gz IGUKFMYPJCQXRW-OAHLLOKOSA-N 1 2 407.421 3.227 50 0 HGAALO Cn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC[NH+]1CCOCC1 ZINC000014201321 558636846 /nfs/dbraw/zinc/63/68/46/558636846.db2.gz MLTMQXYOWXVLPF-UHFFFAOYSA-N 1 2 405.520 3.225 50 0 HGAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000025665936 558646885 /nfs/dbraw/zinc/64/68/85/558646885.db2.gz WFBPRAGUPXBACX-OAQYLSRUSA-N 1 2 417.513 3.492 50 0 HGAALO O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccccc1Cn1cc[nH+]c1 ZINC000025665860 558646934 /nfs/dbraw/zinc/64/69/34/558646934.db2.gz TVQUNPPCFLQZKD-UHFFFAOYSA-N 1 2 410.861 3.199 50 0 HGAALO COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C(C)C)cc1)[NH+]1CCOCC1 ZINC000028290997 558697171 /nfs/dbraw/zinc/69/71/71/558697171.db2.gz FSSOJKAPCTXQFD-NRFANRHFSA-N 1 2 412.530 3.387 50 0 HGAALO CCCNC(=O)C[NH+]1CCN(c2nc(C)nc3sc(-c4ccccc4)cc32)CC1 ZINC000015554530 558743802 /nfs/dbraw/zinc/74/38/02/558743802.db2.gz OLTOYSPYLLVTMU-UHFFFAOYSA-N 1 2 409.559 3.315 50 0 HGAALO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ncccc3C)C2)cc1 ZINC000072308205 558769201 /nfs/dbraw/zinc/76/92/01/558769201.db2.gz RMBLWEPAHMYJCR-QFBILLFUSA-N 1 2 408.502 3.270 50 0 HGAALO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ncccc3C)C2)cc1 ZINC000072308205 558769202 /nfs/dbraw/zinc/76/92/02/558769202.db2.gz RMBLWEPAHMYJCR-QFBILLFUSA-N 1 2 408.502 3.270 50 0 HGAALO O=C([O-])[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000016740600 558803473 /nfs/dbraw/zinc/80/34/73/558803473.db2.gz MSXVAOAVBHWDPW-HXUWFJFHSA-N 1 2 408.458 3.137 50 0 HGAALO CCn1nc(C)c(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1C ZINC000038149493 558810987 /nfs/dbraw/zinc/81/09/87/558810987.db2.gz JRIMTWFYGWITJW-JOCHJYFZSA-N 1 2 414.594 3.214 50 0 HGAALO CCn1nc(C)c(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1C ZINC000038149493 558810988 /nfs/dbraw/zinc/81/09/88/558810988.db2.gz JRIMTWFYGWITJW-JOCHJYFZSA-N 1 2 414.594 3.214 50 0 HGAALO CC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000013693292 558856247 /nfs/dbraw/zinc/85/62/47/558856247.db2.gz DVOWLDXQGRUOSQ-UHFFFAOYSA-N 1 2 402.539 3.061 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)c1 ZINC000019361475 558876423 /nfs/dbraw/zinc/87/64/23/558876423.db2.gz LZHHSXHWOOWTDI-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO COc1ccc(OC)c(CN2CC[NH+](Cc3cc(OC)c(OC)cc3OC)CC2)c1 ZINC000019361475 558876424 /nfs/dbraw/zinc/87/64/24/558876424.db2.gz LZHHSXHWOOWTDI-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO CC[N@H+](CCCNC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1)c1cccc(C)c1 ZINC000004669454 558877212 /nfs/dbraw/zinc/87/72/12/558877212.db2.gz BHJAHRWJKBQMOH-NRFANRHFSA-N 1 2 423.557 3.385 50 0 HGAALO CC[N@@H+](CCCNC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1)c1cccc(C)c1 ZINC000004669454 558877213 /nfs/dbraw/zinc/87/72/13/558877213.db2.gz BHJAHRWJKBQMOH-NRFANRHFSA-N 1 2 423.557 3.385 50 0 HGAALO C[NH+]1CCN(C(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)CC1 ZINC000055450611 558881590 /nfs/dbraw/zinc/88/15/90/558881590.db2.gz UDQGFOJOFGTYJL-UHFFFAOYSA-N 1 2 423.826 3.456 50 0 HGAALO COC(=O)c1nn(C[N@H+](C)CCOc2ccc(Cl)cc2)c(C)c1Br ZINC000058004424 558894228 /nfs/dbraw/zinc/89/42/28/558894228.db2.gz BAMFPAWCZGRJHV-UHFFFAOYSA-N 1 2 416.703 3.362 50 0 HGAALO COC(=O)c1nn(C[N@@H+](C)CCOc2ccc(Cl)cc2)c(C)c1Br ZINC000058004424 558894230 /nfs/dbraw/zinc/89/42/30/558894230.db2.gz BAMFPAWCZGRJHV-UHFFFAOYSA-N 1 2 416.703 3.362 50 0 HGAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N[C@H]1CCOc2ccccc21 ZINC000058369855 558922676 /nfs/dbraw/zinc/92/26/76/558922676.db2.gz KLCXFQDVIAJPLQ-IBGZPJMESA-N 1 2 419.447 3.467 50 0 HGAALO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000022996871 558982271 /nfs/dbraw/zinc/98/22/71/558982271.db2.gz QANHQMIGROLQFR-UHFFFAOYSA-N 1 2 421.950 3.207 50 0 HGAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4cccc5ccccc54)CC3)ncn2)c1C ZINC000072446895 558982676 /nfs/dbraw/zinc/98/26/76/558982676.db2.gz WGZAVNRILCOIJS-UHFFFAOYSA-N 1 2 412.497 3.395 50 0 HGAALO O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000095099730 559079283 /nfs/dbraw/zinc/07/92/83/559079283.db2.gz ZIANHEDYDYOKLJ-UHFFFAOYSA-N 1 2 407.539 3.298 50 0 HGAALO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cscn3)CC2)c1 ZINC000095519995 559085139 /nfs/dbraw/zinc/08/51/39/559085139.db2.gz XRGWJKMWTCNMBU-UHFFFAOYSA-N 1 2 401.532 3.431 50 0 HGAALO O=C(C[NH+]1CCC(NC(=O)COc2ccc3ccccc3c2)CC1)Nc1ccccc1 ZINC000011525971 559087414 /nfs/dbraw/zinc/08/74/14/559087414.db2.gz VAJXEWQMEVBLOT-UHFFFAOYSA-N 1 2 417.509 3.438 50 0 HGAALO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000095626630 559087581 /nfs/dbraw/zinc/08/75/81/559087581.db2.gz HAHUVGAOZRKNFH-SFHVURJKSA-N 1 2 420.912 3.239 50 0 HGAALO COc1cccc(CN2CC[N@H+](Cc3c(C)nn(C(C)C)c3C)C[C@H]2CCO)c1 ZINC000096851289 559112552 /nfs/dbraw/zinc/11/25/52/559112552.db2.gz VKVZPCGNDLZCFO-OAQYLSRUSA-N 1 2 400.567 3.158 50 0 HGAALO COc1cccc(CN2CC[N@@H+](Cc3c(C)nn(C(C)C)c3C)C[C@H]2CCO)c1 ZINC000096851289 559112554 /nfs/dbraw/zinc/11/25/54/559112554.db2.gz VKVZPCGNDLZCFO-OAQYLSRUSA-N 1 2 400.567 3.158 50 0 HGAALO Cc1cccc(N2C(=O)C[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c1 ZINC000100570760 559136720 /nfs/dbraw/zinc/13/67/20/559136720.db2.gz IMZFILKRCAUDQM-LJQANCHMSA-N 1 2 417.431 3.468 50 0 HGAALO COc1cc(CCC(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc(OC)c1OC ZINC000023441425 559174886 /nfs/dbraw/zinc/17/48/86/559174886.db2.gz JXKBGDLMTFZQBC-UHFFFAOYSA-N 1 2 416.493 3.129 50 0 HGAALO C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000011763223 559258600 /nfs/dbraw/zinc/25/86/00/559258600.db2.gz UIKDYYZTICVBND-CQSZACIVSA-N 1 2 410.499 3.051 50 0 HGAALO C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000011763223 559258601 /nfs/dbraw/zinc/25/86/01/559258601.db2.gz UIKDYYZTICVBND-CQSZACIVSA-N 1 2 410.499 3.051 50 0 HGAALO O=C(NCCn1ncc2c1nc[nH+]c2N1CCCCCC1)c1cc2ccccc2o1 ZINC000011666041 560773228 /nfs/dbraw/zinc/77/32/28/560773228.db2.gz GTTBSIPQOXASRA-UHFFFAOYSA-N 1 2 404.474 3.383 50 0 HGAALO O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(SC(F)F)cc1 ZINC000101130736 560788293 /nfs/dbraw/zinc/78/82/93/560788293.db2.gz JNWOWSHTSCIBQW-GOSISDBHSA-N 1 2 417.481 3.455 50 0 HGAALO CC(C)NC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000012136113 560889444 /nfs/dbraw/zinc/88/94/44/560889444.db2.gz ZGOKGYGBDLIECQ-KRWDZBQOSA-N 1 2 401.580 3.318 50 0 HGAALO Cc1cc(N2CCN([C@H](C)C(=O)N3c4ccccc4C[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000048236336 568432960 /nfs/dbraw/zinc/43/29/60/568432960.db2.gz OZJWRVQGYYCTTL-RTBURBONSA-N 1 2 407.562 3.397 50 0 HGAALO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000048265006 568433930 /nfs/dbraw/zinc/43/39/30/568433930.db2.gz YOAQGXRLCQNWEG-SFHVURJKSA-N 1 2 421.567 3.148 50 0 HGAALO CC[C@@H](C)NC(=O)c1cn(C2CC2)c2cc(N3CC[NH+](CC)CC3)c(F)cc2c1=O ZINC000051364376 568436427 /nfs/dbraw/zinc/43/64/27/568436427.db2.gz HXJWJZMADQGJQP-OAHLLOKOSA-N 1 2 414.525 3.146 50 0 HGAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000020288082 568597458 /nfs/dbraw/zinc/59/74/58/568597458.db2.gz JLMDVKXRPNVNLO-KKSFZXQISA-N 1 2 417.575 3.262 50 0 HGAALO O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000020490382 568614406 /nfs/dbraw/zinc/61/44/06/568614406.db2.gz NSWJGZZHNHVHRB-UHFFFAOYSA-N 1 2 406.511 3.278 50 0 HGAALO Cc1csc(C2CCN(S(=O)(=O)c3ccccc3Cn3cc[nH+]c3)CC2)n1 ZINC000095465347 568623354 /nfs/dbraw/zinc/62/33/54/568623354.db2.gz FSXPUCHAJDJGLF-UHFFFAOYSA-N 1 2 402.545 3.265 50 0 HGAALO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000040153714 568625721 /nfs/dbraw/zinc/62/57/21/568625721.db2.gz DNQXLQNQLCXTLJ-FPOVZHCZSA-N 1 2 404.894 3.112 50 0 HGAALO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000040153714 568625724 /nfs/dbraw/zinc/62/57/24/568625724.db2.gz DNQXLQNQLCXTLJ-FPOVZHCZSA-N 1 2 404.894 3.112 50 0 HGAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2[nH]c1=S ZINC000020645353 568638848 /nfs/dbraw/zinc/63/88/48/568638848.db2.gz QTEVQTLGDJPJJS-CRAIPNDOSA-N 1 2 416.591 3.336 50 0 HGAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2[nH]c1=S ZINC000020645349 568639050 /nfs/dbraw/zinc/63/90/50/568639050.db2.gz QTEVQTLGDJPJJS-MAUKXSAKSA-N 1 2 416.591 3.336 50 0 HGAALO COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCc1cc[nH+]c(NC2CC2)c1 ZINC000096013197 568685110 /nfs/dbraw/zinc/68/51/10/568685110.db2.gz IHANXVVBPOJYBN-UHFFFAOYSA-N 1 2 409.490 3.222 50 0 HGAALO O=C(c1ccno1)N(CCC[NH+]1CCOCC1)c1nc2c(cccc2Cl)s1 ZINC000012443820 568725128 /nfs/dbraw/zinc/72/51/28/568725128.db2.gz PVZHFRFWLFCKIY-UHFFFAOYSA-N 1 2 406.895 3.307 50 0 HGAALO COc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000096316766 568725625 /nfs/dbraw/zinc/72/56/25/568725625.db2.gz HXYSBSGPGGSMAD-UHFFFAOYSA-N 1 2 411.550 3.323 50 0 HGAALO CC[C@@H](C)c1nc(N2CCN(C(=O)COC)CC2)c(Cc2cccc(C)c2)c(C)[nH+]1 ZINC000096317480 568726772 /nfs/dbraw/zinc/72/67/72/568726772.db2.gz DZIULJRMJGMVGM-GOSISDBHSA-N 1 2 410.562 3.493 50 0 HGAALO Cc1nc(N2CCC(NC(=O)c3cnc4ccccc4n3)CC2)c2c([nH+]1)CCCC2 ZINC000225738693 568780323 /nfs/dbraw/zinc/78/03/23/568780323.db2.gz IJFIKRJNFJQPOF-UHFFFAOYSA-N 1 2 402.502 3.006 50 0 HGAALO COc1ccccc1N1CC[NH+](CCNC(=O)COc2ccc3ccccc3c2)CC1 ZINC000056997298 568822442 /nfs/dbraw/zinc/82/24/42/568822442.db2.gz JHTBJQHYFNGBTQ-UHFFFAOYSA-N 1 2 419.525 3.166 50 0 HGAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000057363708 568829049 /nfs/dbraw/zinc/82/90/49/568829049.db2.gz QCEUMJSJIWCDID-UHFFFAOYSA-N 1 2 424.520 3.259 50 0 HGAALO O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000057413226 568833306 /nfs/dbraw/zinc/83/33/06/568833306.db2.gz LZDOUYPQPGVTGB-UHFFFAOYSA-N 1 2 424.888 3.417 50 0 HGAALO COC(=O)C1C(C[N@H+]2CC=C(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414213 568833370 /nfs/dbraw/zinc/83/33/70/568833370.db2.gz WHYIASOAHLZIEP-JOCHJYFZSA-N 1 2 403.482 3.257 50 0 HGAALO COC(=O)C1C(C[N@@H+]2CC=C(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414213 568833371 /nfs/dbraw/zinc/83/33/71/568833371.db2.gz WHYIASOAHLZIEP-JOCHJYFZSA-N 1 2 403.482 3.257 50 0 HGAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000057432008 568836486 /nfs/dbraw/zinc/83/64/86/568836486.db2.gz OAVFWBLMOHEPMC-SJORKVTESA-N 1 2 412.433 3.162 50 0 HGAALO C[C@@H](NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012535091 568845012 /nfs/dbraw/zinc/84/50/12/568845012.db2.gz BQFCFTZINNWRMY-NQIIRXRSSA-N 1 2 402.498 3.141 50 0 HGAALO Cc1c2ccccc2[nH]c1CN(C)C(=O)CCCn1nnnc1C[NH+]1CCC(C)CC1 ZINC000012596229 568868944 /nfs/dbraw/zinc/86/89/44/568868944.db2.gz BBMFCFWTIGMMSN-UHFFFAOYSA-N 1 2 423.565 3.134 50 0 HGAALO Cc1cnc(-n2ncc(C(=O)N3CC[NH+](C)CC3)c2C(C)C)nc1-c1ccc(F)cc1 ZINC000299755669 568872707 /nfs/dbraw/zinc/87/27/07/568872707.db2.gz BLNSEKUDWACCSE-UHFFFAOYSA-N 1 2 422.508 3.288 50 0 HGAALO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1 ZINC000299767343 568874034 /nfs/dbraw/zinc/87/40/34/568874034.db2.gz KALDYACPIMRIAN-GMAHTHKFSA-N 1 2 417.484 3.364 50 0 HGAALO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1 ZINC000299767343 568874036 /nfs/dbraw/zinc/87/40/36/568874036.db2.gz KALDYACPIMRIAN-GMAHTHKFSA-N 1 2 417.484 3.364 50 0 HGAALO COc1cc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc(OC)c1OC ZINC000058058212 568881454 /nfs/dbraw/zinc/88/14/54/568881454.db2.gz CZPFDMMWHRDBEM-UHFFFAOYSA-N 1 2 410.474 3.085 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)Cc3ccc4c(c3)CCCC4)CC2)cc1OC ZINC000012688833 568908137 /nfs/dbraw/zinc/90/81/37/568908137.db2.gz WGJACTCAOSQFAU-UHFFFAOYSA-N 1 2 408.542 3.470 50 0 HGAALO O=C(c1ccc(Cl)cc1)C1CC[NH+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000052863873 568909770 /nfs/dbraw/zinc/90/97/70/568909770.db2.gz DIJNERUAJBKTER-UHFFFAOYSA-N 1 2 406.935 3.213 50 0 HGAALO O=c1c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(O)[nH]c(=S)n1CCc1ccccc1 ZINC000001322940 568914669 /nfs/dbraw/zinc/91/46/69/568914669.db2.gz GUDYFMZGYBKFRU-HXUWFJFHSA-N 1 2 418.522 3.197 50 0 biogenic HGAALO O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)NCCCn1cc[nH+]c1 ZINC000003985155 568931276 /nfs/dbraw/zinc/93/12/76/568931276.db2.gz AMJALMUHGMYUPN-UHFFFAOYSA-N 1 2 403.438 3.242 50 0 biogenic HGAALO Cc1nn(CC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c(=O)c2ccccc12 ZINC000012756106 568943086 /nfs/dbraw/zinc/94/30/86/568943086.db2.gz VUZZPHZZCOFZIM-AWEZNQCLSA-N 1 2 411.531 3.032 50 0 HGAALO Cc1nn(CC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c(=O)c2ccccc12 ZINC000012756106 568943089 /nfs/dbraw/zinc/94/30/89/568943089.db2.gz VUZZPHZZCOFZIM-AWEZNQCLSA-N 1 2 411.531 3.032 50 0 HGAALO Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000012769933 568950535 /nfs/dbraw/zinc/95/05/35/568950535.db2.gz GAGYYSBOWQBWHQ-UHFFFAOYSA-N 1 2 400.548 3.360 50 0 HGAALO O=C(C[N@@H+]1CC[C@H](Oc2ccccn2)C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000084613280 568953041 /nfs/dbraw/zinc/95/30/41/568953041.db2.gz PVSAGCUBUQESAH-ZDUSSCGKSA-N 1 2 405.380 3.069 50 0 HGAALO O=C(C[N@H+]1CC[C@H](Oc2ccccn2)C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000084613280 568953042 /nfs/dbraw/zinc/95/30/42/568953042.db2.gz PVSAGCUBUQESAH-ZDUSSCGKSA-N 1 2 405.380 3.069 50 0 HGAALO O=C(C[N@@H+]1CC[C@H](Oc2ccccn2)C1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000084613280 568953043 /nfs/dbraw/zinc/95/30/43/568953043.db2.gz PVSAGCUBUQESAH-ZDUSSCGKSA-N 1 2 405.380 3.069 50 0 HGAALO O=C(C[N@H+]1CC[C@H](Oc2ccccn2)C1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000084613280 568953044 /nfs/dbraw/zinc/95/30/44/568953044.db2.gz PVSAGCUBUQESAH-ZDUSSCGKSA-N 1 2 405.380 3.069 50 0 HGAALO O=C(C[NH+]1CCC(NC(=O)CCC(=O)c2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000012777120 568955556 /nfs/dbraw/zinc/95/55/56/568955556.db2.gz ICOMUTMYEOTNQJ-UHFFFAOYSA-N 1 2 411.477 3.008 50 0 HGAALO COC(=O)c1sc(NC(=O)C[N@H+](C)[C@H](C)c2cccs2)c(C(=O)OC)c1C ZINC000012818558 568990343 /nfs/dbraw/zinc/99/03/43/568990343.db2.gz YUFDNUMGAFTMKM-LLVKDONJSA-N 1 2 410.517 3.323 50 0 HGAALO COC(=O)c1sc(NC(=O)C[N@@H+](C)[C@H](C)c2cccs2)c(C(=O)OC)c1C ZINC000012818558 568990345 /nfs/dbraw/zinc/99/03/45/568990345.db2.gz YUFDNUMGAFTMKM-LLVKDONJSA-N 1 2 410.517 3.323 50 0 HGAALO CCSc1nnc(NC(=O)C[NH+]2CCC(Cn3cnc4ccccc43)CC2)s1 ZINC000038535469 568998228 /nfs/dbraw/zinc/99/82/28/568998228.db2.gz JZWBMFHHTRNZBP-UHFFFAOYSA-N 1 2 416.576 3.351 50 0 HGAALO Clc1cccc(CN2CCc3nc(N4CCN(c5cccc[nH+]5)CC4)ncc3C2)c1 ZINC000015779621 569002039 /nfs/dbraw/zinc/00/20/39/569002039.db2.gz KBNWYEXHTJYLLT-UHFFFAOYSA-N 1 2 420.948 3.410 50 0 HGAALO COc1cc(CN2CC[N@H+](Cc3cccc(Cl)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104322078 569008414 /nfs/dbraw/zinc/00/84/14/569008414.db2.gz JVXAARANRDCNHN-HXUWFJFHSA-N 1 2 404.938 3.426 50 0 HGAALO COc1cc(CN2CC[N@@H+](Cc3cccc(Cl)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104322078 569008415 /nfs/dbraw/zinc/00/84/15/569008415.db2.gz JVXAARANRDCNHN-HXUWFJFHSA-N 1 2 404.938 3.426 50 0 HGAALO COc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@H]2CCO)c(F)c1 ZINC000104513840 569008903 /nfs/dbraw/zinc/00/89/03/569008903.db2.gz OCWHUWGDMBFFRV-OAQYLSRUSA-N 1 2 424.520 3.089 50 0 HGAALO COc1ccc(C[N@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@H]2CCO)c(F)c1 ZINC000104513840 569008904 /nfs/dbraw/zinc/00/89/04/569008904.db2.gz OCWHUWGDMBFFRV-OAQYLSRUSA-N 1 2 424.520 3.089 50 0 HGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@H]1CCO ZINC000104627326 569009020 /nfs/dbraw/zinc/00/90/20/569009020.db2.gz SOXSCXCFBRXXEQ-JOCHJYFZSA-N 1 2 400.567 3.076 50 0 HGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@H]1CCO ZINC000104627326 569009021 /nfs/dbraw/zinc/00/90/21/569009021.db2.gz SOXSCXCFBRXXEQ-JOCHJYFZSA-N 1 2 400.567 3.076 50 0 HGAALO O=C([C@H](c1ccccc1)n1cccc1)N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000575444048 569028606 /nfs/dbraw/zinc/02/86/06/569028606.db2.gz WILABXVHMZXTEP-QHCPKHFHSA-N 1 2 407.489 3.440 50 0 HGAALO Cc1ccc(OCCNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000026281954 569031072 /nfs/dbraw/zinc/03/10/72/569031072.db2.gz PXXQKEKNNCADLS-UHFFFAOYSA-N 1 2 424.545 3.085 50 0 HGAALO Cn1cc([C@H](CC(=O)NCC[NH+]2CCOCC2)c2ccc(F)cc2)c2ccccc21 ZINC000035371549 569033799 /nfs/dbraw/zinc/03/37/99/569033799.db2.gz YZLITEZOBOTXQZ-OAQYLSRUSA-N 1 2 409.505 3.288 50 0 HGAALO CC(C)Sc1ccccc1N1CC[NH+](CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000102195582 569034651 /nfs/dbraw/zinc/03/46/51/569034651.db2.gz AGWLUSJKNUQPEC-KDURUIRLSA-N 1 2 415.603 3.484 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@@H]3CCC[N@@H+]32)cc1 ZINC000245324904 569055795 /nfs/dbraw/zinc/05/57/95/569055795.db2.gz CEAHITVAIUOWIK-HAGHYFMRSA-N 1 2 408.885 3.484 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@@H]3CCC[N@H+]32)cc1 ZINC000245324904 569055796 /nfs/dbraw/zinc/05/57/96/569055796.db2.gz CEAHITVAIUOWIK-HAGHYFMRSA-N 1 2 408.885 3.484 50 0 HGAALO COc1cccc(NC(=O)CSc2ccccc2C(=O)OCCn2cc[nH+]c2)c1 ZINC000089470230 569060950 /nfs/dbraw/zinc/06/09/50/569060950.db2.gz CUQIOWWQYKYRFY-UHFFFAOYSA-N 1 2 411.483 3.480 50 0 HGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCC[C@H]3CCOC3)csc2C1 ZINC000426526033 569073291 /nfs/dbraw/zinc/07/32/91/569073291.db2.gz JHHVPOGXKNYHEY-INIZCTEOSA-N 1 2 403.548 3.458 50 0 HGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCC[C@H]3CCOC3)csc2C1 ZINC000426526033 569073292 /nfs/dbraw/zinc/07/32/92/569073292.db2.gz JHHVPOGXKNYHEY-INIZCTEOSA-N 1 2 403.548 3.458 50 0 HGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCc3[nH]nc4c3CCC4)csc2C1 ZINC000426647849 569073754 /nfs/dbraw/zinc/07/37/54/569073754.db2.gz ARSTYBKITZVGPM-UHFFFAOYSA-N 1 2 411.531 3.053 50 0 HGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCc3[nH]nc4c3CCC4)csc2C1 ZINC000426647849 569073755 /nfs/dbraw/zinc/07/37/55/569073755.db2.gz ARSTYBKITZVGPM-UHFFFAOYSA-N 1 2 411.531 3.053 50 0 HGAALO CCCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000006647934 569080748 /nfs/dbraw/zinc/08/07/48/569080748.db2.gz ZDQCSSWZOBKYNC-MRXNPFEDSA-N 1 2 412.515 3.052 50 0 HGAALO O=C(NCc1cccc(F)c1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000036254805 569120061 /nfs/dbraw/zinc/12/00/61/569120061.db2.gz IESPGEKEMFSZKT-QHCPKHFHSA-N 1 2 423.532 3.459 50 0 HGAALO Cc1ccc2c(=O)c3c([nH]c2c1C)CC[N@H+](CC(=O)NCc1ccccc1Cl)C3 ZINC000065034849 569158164 /nfs/dbraw/zinc/15/81/64/569158164.db2.gz GBCSKEDSWZVECK-UHFFFAOYSA-N 1 2 409.917 3.473 50 0 HGAALO Cc1ccc2c(=O)c3c([nH]c2c1C)CC[N@@H+](CC(=O)NCc1ccccc1Cl)C3 ZINC000065034849 569158165 /nfs/dbraw/zinc/15/81/65/569158165.db2.gz GBCSKEDSWZVECK-UHFFFAOYSA-N 1 2 409.917 3.473 50 0 HGAALO C[N@H+](CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 ZINC000036438396 569182517 /nfs/dbraw/zinc/18/25/17/569182517.db2.gz FFYAHKFABLLOFU-UNMCSNQZSA-N 1 2 412.555 3.216 50 0 HGAALO C[N@@H+](CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 ZINC000036438396 569182518 /nfs/dbraw/zinc/18/25/18/569182518.db2.gz FFYAHKFABLLOFU-UNMCSNQZSA-N 1 2 412.555 3.216 50 0 HGAALO O=C(C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)Nc1ccc2c(c1)OCO2 ZINC000065184166 569191241 /nfs/dbraw/zinc/19/12/41/569191241.db2.gz YXSPCHJKGGPWGO-UHFFFAOYSA-N 1 2 424.432 3.423 50 0 HGAALO Cc1ccc(NC(=O)C2CCN(c3cc(N4CCSCC4)nc[nH+]3)CC2)cc1F ZINC000065237093 569202698 /nfs/dbraw/zinc/20/26/98/569202698.db2.gz HSURTXGZFYHPIN-UHFFFAOYSA-N 1 2 415.538 3.332 50 0 HGAALO Cc1ccc(NC(=O)C2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)cc1F ZINC000065237093 569202699 /nfs/dbraw/zinc/20/26/99/569202699.db2.gz HSURTXGZFYHPIN-UHFFFAOYSA-N 1 2 415.538 3.332 50 0 HGAALO COC(=O)c1ccc(NC(=O)C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000065237050 569202778 /nfs/dbraw/zinc/20/27/78/569202778.db2.gz BSKAALAATPBXPS-UHFFFAOYSA-N 1 2 423.517 3.109 50 0 HGAALO COC(=O)c1ccc(NC(=O)C2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000065237050 569202780 /nfs/dbraw/zinc/20/27/80/569202780.db2.gz BSKAALAATPBXPS-UHFFFAOYSA-N 1 2 423.517 3.109 50 0 HGAALO O=C(Nc1ccccc1Cl)c1cn(-c2cc(N3CCSCC3)[nH+]cn2)cn1 ZINC000065239985 569203649 /nfs/dbraw/zinc/20/36/49/569203649.db2.gz TWBMQBAPZGNFLA-UHFFFAOYSA-N 1 2 400.895 3.121 50 0 HGAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc4c(c3)OCCO4)C2)nc[nH+]1 ZINC000065244946 569204935 /nfs/dbraw/zinc/20/49/35/569204935.db2.gz UPJFHHPQQBPCPL-MRXNPFEDSA-N 1 2 411.506 3.315 50 0 HGAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc4c(c3)OCCO4)C2)[nH+]cn1 ZINC000065244946 569204936 /nfs/dbraw/zinc/20/49/36/569204936.db2.gz UPJFHHPQQBPCPL-MRXNPFEDSA-N 1 2 411.506 3.315 50 0 HGAALO Cc1ccc(-c2nc(-c3ccc4c(c3)nnn4CC[NH+]3CCOCC3)no2)c(C)c1 ZINC000065255036 569207635 /nfs/dbraw/zinc/20/76/35/569207635.db2.gz QNXNBWGYVHXINH-UHFFFAOYSA-N 1 2 404.474 3.097 50 0 HGAALO CCNc1cc(N2CCC(CCC(=O)NCc3cc(F)ccc3F)CC2)nc[nH+]1 ZINC000065274069 569214932 /nfs/dbraw/zinc/21/49/32/569214932.db2.gz ZLGFPASCKWCDHQ-UHFFFAOYSA-N 1 2 403.477 3.500 50 0 HGAALO CCNc1cc(N2CCC(CCC(=O)NCc3cc(F)ccc3F)CC2)[nH+]cn1 ZINC000065274069 569214933 /nfs/dbraw/zinc/21/49/33/569214933.db2.gz ZLGFPASCKWCDHQ-UHFFFAOYSA-N 1 2 403.477 3.500 50 0 HGAALO Cc1cc(C)c(S(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000036700267 569222697 /nfs/dbraw/zinc/22/26/97/569222697.db2.gz FBWLSNKCVWKCRT-OAQYLSRUSA-N 1 2 402.560 3.354 50 0 HGAALO Cc1cc(C)c(S(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000036700267 569222698 /nfs/dbraw/zinc/22/26/98/569222698.db2.gz FBWLSNKCVWKCRT-OAQYLSRUSA-N 1 2 402.560 3.354 50 0 HGAALO Cc1ccc(C)c(S(=O)(=O)NCCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000036700419 569222840 /nfs/dbraw/zinc/22/28/40/569222840.db2.gz PNDIBTUISQMODF-NRFANRHFSA-N 1 2 402.560 3.435 50 0 HGAALO Cc1ccc(C)c(S(=O)(=O)NCCCC[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000036700419 569222841 /nfs/dbraw/zinc/22/28/41/569222841.db2.gz PNDIBTUISQMODF-NRFANRHFSA-N 1 2 402.560 3.435 50 0 HGAALO CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)c1 ZINC000065563952 569234210 /nfs/dbraw/zinc/23/42/10/569234210.db2.gz ABHSYJXXLBSRNG-QGZVFWFLSA-N 1 2 423.513 3.227 50 0 HGAALO Cc1c(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cnn1-c1ccccc1F ZINC000037143305 569238862 /nfs/dbraw/zinc/23/88/62/569238862.db2.gz WJKSRRBTHIFDJK-UHFFFAOYSA-N 1 2 422.460 3.007 50 0 HGAALO Cc1ccc2c(c1)CCCN2CC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000037185778 569239891 /nfs/dbraw/zinc/23/98/91/569239891.db2.gz JIHGGXHJWGMNAV-CPJSRVTESA-N 1 2 407.558 3.326 50 0 HGAALO CCc1nc2sccc2c(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)n1 ZINC000170590963 569240568 /nfs/dbraw/zinc/24/05/68/569240568.db2.gz RUMKCRKUWJOUMR-SFHVURJKSA-N 1 2 407.543 3.181 50 0 HGAALO C[C@@H](NC(=O)C[NH+]1CCC(c2nc(N(C)C)no2)CC1)c1ccc2ccccc2c1 ZINC000170601544 569243228 /nfs/dbraw/zinc/24/32/28/569243228.db2.gz JYARMFNAFBVIOO-MRXNPFEDSA-N 1 2 407.518 3.346 50 0 HGAALO O=C(CCn1cc[nH+]c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000089788276 569264613 /nfs/dbraw/zinc/26/46/13/569264613.db2.gz ARYLKYGFAHKWJG-UHFFFAOYSA-N 1 2 404.879 3.366 50 0 HGAALO O=C(NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000017200560 569276607 /nfs/dbraw/zinc/27/66/07/569276607.db2.gz PQAOTCGBWCMCFB-OAQYLSRUSA-N 1 2 401.466 3.340 50 0 HGAALO O=C(NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000017200560 569276608 /nfs/dbraw/zinc/27/66/08/569276608.db2.gz PQAOTCGBWCMCFB-OAQYLSRUSA-N 1 2 401.466 3.340 50 0 HGAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(=O)NC2CC2)c(OC)c1 ZINC000007741146 569306011 /nfs/dbraw/zinc/30/60/11/569306011.db2.gz JJAWLVBWONZYPQ-NRFANRHFSA-N 1 2 423.513 3.372 50 0 HGAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C(=O)NC2CC2)c(OC)c1 ZINC000007741146 569306012 /nfs/dbraw/zinc/30/60/12/569306012.db2.gz JJAWLVBWONZYPQ-NRFANRHFSA-N 1 2 423.513 3.372 50 0 HGAALO CC(=O)C1(c2ccccc2)CC[NH+](Cc2nc(C(=O)NCc3ccco3)co2)CC1 ZINC000037600347 569309160 /nfs/dbraw/zinc/30/91/60/569309160.db2.gz UVXSKQLQUYEFPS-UHFFFAOYSA-N 1 2 407.470 3.320 50 0 HGAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(N2CCCC2=O)cc1 ZINC000007806635 569311840 /nfs/dbraw/zinc/31/18/40/569311840.db2.gz IPNVWIKUQKSQNZ-IBGZPJMESA-N 1 2 413.543 3.495 50 0 HGAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(N2CCCC2=O)cc1 ZINC000007806635 569311841 /nfs/dbraw/zinc/31/18/41/569311841.db2.gz IPNVWIKUQKSQNZ-IBGZPJMESA-N 1 2 413.543 3.495 50 0 HGAALO O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NCc1cn2ccccc2[nH+]1 ZINC000007944440 569402236 /nfs/dbraw/zinc/40/22/36/569402236.db2.gz FUESYWDIHFDNCH-UHFFFAOYSA-N 1 2 418.526 3.260 50 0 HGAALO Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C[NH+]1CCN(Cc2ccon2)CC1 ZINC000078947688 569421856 /nfs/dbraw/zinc/42/18/56/569421856.db2.gz NLTSMWLACKOZLM-UHFFFAOYSA-N 1 2 412.578 3.065 50 0 HGAALO COc1ccccc1C(=O)C[C@]1(O)c2ccccc2N(C[NH+]2CCCCCC2)C1=O ZINC000008569929 571081889 /nfs/dbraw/zinc/08/18/89/571081889.db2.gz XDUZUOPSVLWNSU-DEOSSOPVSA-N 1 2 408.498 3.336 50 0 HGAALO O=C(NCCCn1cc[nH+]c1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1 ZINC000008663455 571099586 /nfs/dbraw/zinc/09/95/86/571099586.db2.gz NJEVJIRIMUUONB-UHFFFAOYSA-N 1 2 420.807 3.294 50 0 HGAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008719765 571106712 /nfs/dbraw/zinc/10/67/12/571106712.db2.gz XQOJFQOMNWLOAK-UHFFFAOYSA-N 1 2 412.515 3.022 50 0 HGAALO Cc1ccccc1C(=O)NCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000008726705 571108552 /nfs/dbraw/zinc/10/85/52/571108552.db2.gz PJYRSCGZRAILFN-UHFFFAOYSA-N 1 2 420.538 3.378 50 0 HGAALO Cc1ccccc1C(=O)NCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000008726705 571108553 /nfs/dbraw/zinc/10/85/53/571108553.db2.gz PJYRSCGZRAILFN-UHFFFAOYSA-N 1 2 420.538 3.378 50 0 HGAALO O=c1[nH]c(O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n1CCC1=CCCCC1 ZINC000008742612 571110985 /nfs/dbraw/zinc/11/09/85/571110985.db2.gz QVNIXGQJSFDVFX-FQEVSTJZSA-N 1 2 406.486 3.261 50 0 biogenic HGAALO O=C(c1cc(-c2cccc(Cl)c2)n[nH]1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000040082842 571156557 /nfs/dbraw/zinc/15/65/57/571156557.db2.gz SPMDFCKXFWIXOT-UHFFFAOYSA-N 1 2 420.904 3.336 50 0 HGAALO CN(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000040135597 571188554 /nfs/dbraw/zinc/18/85/54/571188554.db2.gz NBTFDWZKHTYPNY-QHCPKHFHSA-N 1 2 417.513 3.244 50 0 HGAALO CCOc1ccccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000040149626 571196895 /nfs/dbraw/zinc/19/68/95/571196895.db2.gz ZCDSGXPRBZOTFC-UHFFFAOYSA-N 1 2 416.909 3.423 50 0 HGAALO O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000244914799 571210347 /nfs/dbraw/zinc/21/03/47/571210347.db2.gz BEGIRYLGMAKXSX-UHFFFAOYSA-N 1 2 414.893 3.047 50 0 HGAALO O=C(CCN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)NCCCn1cc[nH+]c1 ZINC000009187731 571235260 /nfs/dbraw/zinc/23/52/60/571235260.db2.gz SPVZIHBKDRCTSS-FOWTUZBSSA-N 1 2 418.906 3.169 50 0 HGAALO O=C(C1CCOCC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000069742778 571242627 /nfs/dbraw/zinc/24/26/27/571242627.db2.gz GROPZEBZNLEBLW-HXUWFJFHSA-N 1 2 416.566 3.357 50 0 HGAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccco2)CC1 ZINC000096346850 132227056 /nfs/dbraw/zinc/22/70/56/132227056.db2.gz HBYXBJNCVISWIF-UHFFFAOYSA-N 1 2 422.876 3.333 50 0 HGAALO CC(=O)N1CCN(c2ccc(NC(=O)CCn3c(C)[nH+]c4ccccc43)cc2)CC1 ZINC000005210336 132304090 /nfs/dbraw/zinc/30/40/90/132304090.db2.gz LNVZEFRYYKSSFG-UHFFFAOYSA-N 1 2 405.502 3.042 50 0 HGAALO O=C(CCc1nc2cccnc2n1-c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000006737695 132314034 /nfs/dbraw/zinc/31/40/34/132314034.db2.gz AVIFFNFOWWMWIA-UHFFFAOYSA-N 1 2 412.497 3.097 50 0 HGAALO Cc1[nH+]c(SCc2ccc(C(=O)N3CCCC3)cc2)nc(N2CCOCC2)c1C ZINC000006802019 132317446 /nfs/dbraw/zinc/31/74/46/132317446.db2.gz GEUUSYZBUFKQQG-UHFFFAOYSA-N 1 2 412.559 3.458 50 0 HGAALO c1ccc(N2CCN(c3nc4ccccc4c4nc(-c5ccncc5)nn43)CC2)[nH+]c1 ZINC000006805471 132317864 /nfs/dbraw/zinc/31/78/64/132317864.db2.gz QDZSNGPLTNPUMQ-UHFFFAOYSA-N 1 2 408.469 3.061 50 0 HGAALO O=C(CC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012090555 132353987 /nfs/dbraw/zinc/35/39/87/132353987.db2.gz FCQBDRVWFJZWAJ-FQEVSTJZSA-N 1 2 421.545 3.455 50 0 HGAALO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2N2CCCCC2)NC(=O)N[C@@H]1CC ZINC000012637114 132365649 /nfs/dbraw/zinc/36/56/49/132365649.db2.gz AZKYCFYVAZYGNW-GOSISDBHSA-N 1 2 414.550 3.017 50 0 HGAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2N2CCCCC2)NC(=O)N[C@@H]1CC ZINC000012637114 132365651 /nfs/dbraw/zinc/36/56/51/132365651.db2.gz AZKYCFYVAZYGNW-GOSISDBHSA-N 1 2 414.550 3.017 50 0 HGAALO CC(C)c1cccc(NC(=O)C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000032865334 519841661 /nfs/dbraw/zinc/84/16/61/519841661.db2.gz YZDYUWGIEDYVJT-UHFFFAOYSA-N 1 2 421.588 3.253 50 0 HGAALO CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000042686653 519867263 /nfs/dbraw/zinc/86/72/63/519867263.db2.gz SNWOTQRUTFOBHQ-GFCCVEGCSA-N 1 2 414.319 3.153 50 0 HGAALO CCc1[nH+]c(S[C@H](C(=O)NC(N)=O)C(C)C)nc(N)c1-c1ccc(Cl)cc1 ZINC000032905964 522410009 /nfs/dbraw/zinc/41/00/09/522410009.db2.gz UPXABHCCYDIWFQ-AWEZNQCLSA-N 1 2 407.927 3.253 50 0 HGAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)n2)C1 ZINC000032869029 524095862 /nfs/dbraw/zinc/09/58/62/524095862.db2.gz RNHSMLJTUCPDLL-HNNXBMFYSA-N 1 2 411.531 3.497 50 0 HGAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)n2)C1 ZINC000032869029 524095871 /nfs/dbraw/zinc/09/58/71/524095871.db2.gz RNHSMLJTUCPDLL-HNNXBMFYSA-N 1 2 411.531 3.497 50 0 HGAALO COc1ccc(O[C@H](C)C(=O)N[C@@H](CCn2cc[nH+]c2)c2nc3ccccc3[nH]2)cc1 ZINC000032933449 524986290 /nfs/dbraw/zinc/98/62/90/524986290.db2.gz GICDBXPTSXWVMV-IERDGZPVSA-N 1 2 419.485 3.483 50 0 HGAALO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)NC(=O)NC1CCCCC1 ZINC000032911213 526007154 /nfs/dbraw/zinc/00/71/54/526007154.db2.gz UXLNHHKUJZDWBH-CQSZACIVSA-N 1 2 424.530 3.455 50 0 HGAALO O=C(C[NH+]1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1)N1CCCC1 ZINC000032751499 526777856 /nfs/dbraw/zinc/77/78/56/526777856.db2.gz RXKYABPHGHTWEL-UHFFFAOYSA-N 1 2 404.967 3.204 50 0 HGAALO O=C(C[NH+]1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1)N1CCCC1 ZINC000032719983 526786308 /nfs/dbraw/zinc/78/63/08/526786308.db2.gz WDUHHIWVVCEULL-UHFFFAOYSA-N 1 2 401.514 3.041 50 0 HGAALO COc1cc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc(Cl)c1OC(C)C ZINC000012224003 536493940 /nfs/dbraw/zinc/49/39/40/536493940.db2.gz VMIUQBKIXPMGPZ-UHFFFAOYSA-N 1 2 419.909 3.297 50 0 HGAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(cccc3F)s2)no1 ZINC000022768248 557818405 /nfs/dbraw/zinc/81/84/05/557818405.db2.gz CEABJPMVHVGAFA-UHFFFAOYSA-N 1 2 404.467 3.101 50 0 HGAALO CCn1ccnc1C[NH+]1CCC(n2nccc2NC(=O)[C@@H](OC)c2ccccc2)CC1 ZINC000011663279 558266959 /nfs/dbraw/zinc/26/69/59/558266959.db2.gz VNSUCIKXXIPAIT-QFIPXVFZSA-N 1 2 422.533 3.263 50 0 HGAALO CCCCc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)[nH]1 ZINC000011936747 558300864 /nfs/dbraw/zinc/30/08/64/558300864.db2.gz ZEYWKYKRXYZCOH-QGZVFWFLSA-N 1 2 414.550 3.412 50 0 HGAALO CCCCc1ncc(C[N@H+]2CCC[C@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)[nH]1 ZINC000011936747 558300867 /nfs/dbraw/zinc/30/08/67/558300867.db2.gz ZEYWKYKRXYZCOH-QGZVFWFLSA-N 1 2 414.550 3.412 50 0 HGAALO COc1cc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc(OC)c1O ZINC000019889508 558302479 /nfs/dbraw/zinc/30/24/79/558302479.db2.gz HEGQCOQXYDDAAB-UHFFFAOYSA-N 1 2 421.335 3.490 50 0 HGAALO COc1ccccc1C[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000019889309 558302548 /nfs/dbraw/zinc/30/25/48/558302548.db2.gz HADNBHJMOPVSSH-UHFFFAOYSA-N 1 2 419.319 3.181 50 0 HGAALO CCOc1cc(C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)ccc1OC ZINC000020130162 558336966 /nfs/dbraw/zinc/33/69/66/558336966.db2.gz SUXJRVSLQFKACE-UHFFFAOYSA-N 1 2 418.921 3.471 50 0 HGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2csc(C(C)=O)c2)C[C@@H]1CCO ZINC000020210048 558347533 /nfs/dbraw/zinc/34/75/33/558347533.db2.gz DRKYZUYOXWHCLU-FQEVSTJZSA-N 1 2 402.560 3.418 50 0 HGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2csc(C(C)=O)c2)C[C@@H]1CCO ZINC000020210048 558347534 /nfs/dbraw/zinc/34/75/34/558347534.db2.gz DRKYZUYOXWHCLU-FQEVSTJZSA-N 1 2 402.560 3.418 50 0 HGAALO O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)N[C@@H](CCn1cc[nH+]c1)c1ccccc1 ZINC000012219025 558354788 /nfs/dbraw/zinc/35/47/88/558354788.db2.gz QKSPGQPVDFBTOI-URXFXBBRSA-N 1 2 420.513 3.395 50 0 HGAALO CCOc1ccccc1CN1CC[N@H+](Cc2cccn2-c2cccnc2)C[C@@H]1CCO ZINC000020534254 558385482 /nfs/dbraw/zinc/38/54/82/558385482.db2.gz FJCBEZMJVXLOSR-QHCPKHFHSA-N 1 2 420.557 3.340 50 0 HGAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cccn2-c2cccnc2)C[C@@H]1CCO ZINC000020534254 558385483 /nfs/dbraw/zinc/38/54/83/558385483.db2.gz FJCBEZMJVXLOSR-QHCPKHFHSA-N 1 2 420.557 3.340 50 0 HGAALO CC(=O)c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)[nH]n1 ZINC000012439702 558411279 /nfs/dbraw/zinc/41/12/79/558411279.db2.gz NKGZTNRGHJATED-OAQYLSRUSA-N 1 2 402.445 3.019 50 0 HGAALO CC(=O)c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)[nH]n1 ZINC000012439702 558411281 /nfs/dbraw/zinc/41/12/81/558411281.db2.gz NKGZTNRGHJATED-OAQYLSRUSA-N 1 2 402.445 3.019 50 0 HGAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3c(C)onc3-c3ccccc3)CC2)cc1 ZINC000020907731 558421386 /nfs/dbraw/zinc/42/13/86/558421386.db2.gz NKWQKFZLCIANOC-UHFFFAOYSA-N 1 2 421.497 3.495 50 0 HGAALO C[C@H](Sc1nnc2[nH]c3ccccc3n21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020980966 558425695 /nfs/dbraw/zinc/42/56/95/558425695.db2.gz LZHKKHJTPWRNHK-INIZCTEOSA-N 1 2 420.542 3.036 50 0 HGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2nc3c(s2)CCCC3)C[C@@H]1CCO ZINC000020993555 558426322 /nfs/dbraw/zinc/42/63/22/558426322.db2.gz KYDNUVFHQXKNSF-IBGZPJMESA-N 1 2 415.603 3.489 50 0 HGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2nc3c(s2)CCCC3)C[C@@H]1CCO ZINC000020993555 558426325 /nfs/dbraw/zinc/42/63/25/558426325.db2.gz KYDNUVFHQXKNSF-IBGZPJMESA-N 1 2 415.603 3.489 50 0 HGAALO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000021017099 558429207 /nfs/dbraw/zinc/42/92/07/558429207.db2.gz BHHJUTUSTHYGFZ-UHFFFAOYSA-N 1 2 412.291 3.197 50 0 HGAALO Cc1cc(C[NH+]2CCN([C@H](C)C(=O)NC(c3ccccc3)c3ccccc3)CC2)on1 ZINC000022252641 558473833 /nfs/dbraw/zinc/47/38/33/558473833.db2.gz LOVNMWQJIGJUMF-HXUWFJFHSA-N 1 2 418.541 3.395 50 0 HGAALO Cc1cc(CN2CC[NH+]([C@H](C)C(=O)NC(c3ccccc3)c3ccccc3)CC2)on1 ZINC000022252641 558473835 /nfs/dbraw/zinc/47/38/35/558473835.db2.gz LOVNMWQJIGJUMF-HXUWFJFHSA-N 1 2 418.541 3.395 50 0 HGAALO C[C@@H](Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)c1ccc2ccccc2c1 ZINC000012974315 558490374 /nfs/dbraw/zinc/49/03/74/558490374.db2.gz 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COc1ccc(C[NH+]2CCN(Cc3nnc(-c4cc(C)oc4C)o3)CC2)cc1F ZINC000022786950 558511058 /nfs/dbraw/zinc/51/10/58/558511058.db2.gz SZNPIMYSIBPQFB-UHFFFAOYSA-N 1 2 400.454 3.412 50 0 HGAALO COc1ccc(C)cc1C[NH+]1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000022801400 558513195 /nfs/dbraw/zinc/51/31/95/558513195.db2.gz RPOHTHXVCLDRAG-UHFFFAOYSA-N 1 2 411.550 3.072 50 0 HGAALO CCc1ccc(C(=O)N2CC[NH+](Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1 ZINC000023147997 558538645 /nfs/dbraw/zinc/53/86/45/558538645.db2.gz DQXDUYLMJFTNAH-UHFFFAOYSA-N 1 2 406.482 3.327 50 0 HGAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC[NH+](Cc3ccsc3)CC2)c1C ZINC000023257583 558546591 /nfs/dbraw/zinc/54/65/91/558546591.db2.gz YCQJKVSGSZEDTG-INIZCTEOSA-N 1 2 403.548 3.259 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)CC2)cc1 ZINC000023761790 558574514 /nfs/dbraw/zinc/57/45/14/558574514.db2.gz ZURFZWCOLSIEMX-UHFFFAOYSA-N 1 2 413.518 3.163 50 0 HGAALO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)cc1OC ZINC000023763494 558575233 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HGAALO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000024980371 558624224 /nfs/dbraw/zinc/62/42/24/558624224.db2.gz WBQVMJHLIHYWPO-HNNXBMFYSA-N 1 2 402.930 3.106 50 0 HGAALO C[N@@H+](Cc1ccc(F)cc1)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000014197172 558633775 /nfs/dbraw/zinc/63/37/75/558633775.db2.gz MYCBGBOBBQGQQY-LJQANCHMSA-N 1 2 420.282 3.445 50 0 HGAALO C[N@H+](Cc1ccc(F)cc1)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000014197172 558633779 /nfs/dbraw/zinc/63/37/79/558633779.db2.gz MYCBGBOBBQGQQY-LJQANCHMSA-N 1 2 420.282 3.445 50 0 HGAALO CCN(CC)C(=O)C[NH+]1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000014198183 558634588 /nfs/dbraw/zinc/63/45/88/558634588.db2.gz HKJSLTXHFKFTJV-UHFFFAOYSA-N 1 2 409.559 3.349 50 0 HGAALO CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1C[N@H+](Cc1ccc(O)cc1)CC2 ZINC000014744695 558668535 /nfs/dbraw/zinc/66/85/35/558668535.db2.gz MEVYWVGIBAGRSO-UHFFFAOYSA-N 1 2 421.497 3.381 50 0 HGAALO CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1C[N@@H+](Cc1ccc(O)cc1)CC2 ZINC000014744695 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3.449 50 0 HGAALO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cc1 ZINC000011058872 558719166 /nfs/dbraw/zinc/71/91/66/558719166.db2.gz HVQQYRHUZPCACF-UHFFFAOYSA-N 1 2 412.486 3.449 50 0 HGAALO Cc1oc(-c2ccccc2)nc1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000030013637 558726143 /nfs/dbraw/zinc/72/61/43/558726143.db2.gz CAVVQLDVHRKGLJ-UHFFFAOYSA-N 1 2 417.509 3.472 50 0 HGAALO Cc1sc2ncn(CCC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)c(=O)c2c1C ZINC000030217633 558728169 /nfs/dbraw/zinc/72/81/69/558728169.db2.gz AELRDBHLOQYHHQ-UHFFFAOYSA-N 1 2 421.526 3.026 50 0 HGAALO COc1ccc([C@@H](NC(=O)CCc2nnc(-c3ccsc3)o2)c2[nH+]ccn2C)cc1 ZINC000030973091 558747388 /nfs/dbraw/zinc/74/73/88/558747388.db2.gz ZQDCGLNNVCJRPV-LJQANCHMSA-N 1 2 423.498 3.379 50 0 HGAALO Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C)CC4)cc3N2)cc1 ZINC000033927166 558772199 /nfs/dbraw/zinc/77/21/99/558772199.db2.gz HNWWNDJRBHIJHJ-DOTOQJQBSA-N 1 2 407.440 3.239 50 0 HGAALO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc2ccccc21 ZINC000071335676 558788011 /nfs/dbraw/zinc/78/80/11/558788011.db2.gz SOOOZOJAWALLPH-QGZVFWFLSA-N 1 2 403.486 3.094 50 0 HGAALO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)n2c(C)csc2n1 ZINC000016557606 558795777 /nfs/dbraw/zinc/79/57/77/558795777.db2.gz DYBODESDHDPTMG-UHFFFAOYSA-N 1 2 404.923 3.487 50 0 HGAALO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)n2c(C)csc2n1 ZINC000016557606 558795779 /nfs/dbraw/zinc/79/57/79/558795779.db2.gz DYBODESDHDPTMG-UHFFFAOYSA-N 1 2 404.923 3.487 50 0 HGAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3csc4ccccc34)cc2)CC1 ZINC000035907748 558795946 /nfs/dbraw/zinc/79/59/46/558795946.db2.gz KLYVZMAPJYPCEE-UHFFFAOYSA-N 1 2 415.540 3.090 50 0 HGAALO COc1cc2nc(C[N@H+](C)CCOc3ccc(Cl)cc3)[nH]c(=O)c2cc1OC ZINC000016632979 558797176 /nfs/dbraw/zinc/79/71/76/558797176.db2.gz FVCVHRNOOPYAAW-UHFFFAOYSA-N 1 2 403.866 3.105 50 0 HGAALO COc1cc2nc(C[N@@H+](C)CCOc3ccc(Cl)cc3)[nH]c(=O)c2cc1OC ZINC000016632979 558797177 /nfs/dbraw/zinc/79/71/77/558797177.db2.gz FVCVHRNOOPYAAW-UHFFFAOYSA-N 1 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SPUVHWAYNUHHFN-UHFFFAOYSA-N 1 2 414.893 3.039 50 0 HGAALO O=C(Nc1ccc(I)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019418396 558885356 /nfs/dbraw/zinc/88/53/56/558885356.db2.gz ZOFBYPLMJZJZIK-UHFFFAOYSA-N 1 2 422.266 3.376 50 0 HGAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000010656586 558894567 /nfs/dbraw/zinc/89/45/67/558894567.db2.gz KQPFYQKJKNPLRU-OAQYLSRUSA-N 1 2 422.504 3.492 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000058005859 558894614 /nfs/dbraw/zinc/89/46/14/558894614.db2.gz KIPGNOQWTLUJQX-HXUWFJFHSA-N 1 2 417.550 3.129 50 0 HGAALO CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)ccc1C ZINC000058171415 558908159 /nfs/dbraw/zinc/90/81/59/558908159.db2.gz CCTIJFIHZRUIDU-UHFFFAOYSA-N 1 2 414.531 3.163 50 0 HGAALO O=C(CSc1cccc2cccnc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019691144 558960681 /nfs/dbraw/zinc/96/06/81/558960681.db2.gz TUYXWIGLJLKQDT-UHFFFAOYSA-N 1 2 421.522 3.400 50 0 HGAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(C)c(F)c4)CC3)[nH+]c(C)n2)n1 ZINC000065365329 558976390 /nfs/dbraw/zinc/97/63/90/558976390.db2.gz CLBMRESSCLBUBH-UHFFFAOYSA-N 1 2 423.496 3.389 50 0 HGAALO COc1cc(C)c(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1OC ZINC000022025130 558985056 /nfs/dbraw/zinc/98/50/56/558985056.db2.gz FVOOAFITVFUVJN-IBGZPJMESA-N 1 2 411.546 3.465 50 0 HGAALO C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023247942 559066012 /nfs/dbraw/zinc/06/60/12/559066012.db2.gz FVDMGCOPSXVNMV-YADARESESA-N 1 2 419.569 3.321 50 0 HGAALO C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023247942 559066014 /nfs/dbraw/zinc/06/60/14/559066014.db2.gz FVDMGCOPSXVNMV-YADARESESA-N 1 2 419.569 3.321 50 0 HGAALO C[C@@H](CNC(=O)c1cnc(COc2ccc(C(C)(C)C)cc2)[nH]c1=O)n1cc[nH+]c1 ZINC000091519084 559072028 /nfs/dbraw/zinc/07/20/28/559072028.db2.gz SGCBTORUUPSKQC-HNNXBMFYSA-N 1 2 409.490 3.246 50 0 HGAALO Cc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)[C@@H]3CCOC3)CC2)c1 ZINC000096317277 559109761 /nfs/dbraw/zinc/10/97/61/559109761.db2.gz QGAPLWRNKGKHHY-OAQYLSRUSA-N 1 2 420.557 3.247 50 0 HGAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247809937 559119268 /nfs/dbraw/zinc/11/92/68/559119268.db2.gz BXXHLOUIOGUWCB-YRXWBPOGSA-N 1 2 408.841 3.028 50 0 HGAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247809937 559119269 /nfs/dbraw/zinc/11/92/69/559119269.db2.gz BXXHLOUIOGUWCB-YRXWBPOGSA-N 1 2 408.841 3.028 50 0 HGAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247809935 559119292 /nfs/dbraw/zinc/11/92/92/559119292.db2.gz BXXHLOUIOGUWCB-RDGPPVDQSA-N 1 2 408.841 3.028 50 0 HGAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247809935 559119294 /nfs/dbraw/zinc/11/92/94/559119294.db2.gz BXXHLOUIOGUWCB-RDGPPVDQSA-N 1 2 408.841 3.028 50 0 HGAALO O=C1C[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccccc1 ZINC000100024289 559128583 /nfs/dbraw/zinc/12/85/83/559128583.db2.gz DVDPXUAXIQAMEC-SFHVURJKSA-N 1 2 403.404 3.160 50 0 HGAALO O=C1C[C@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100052756 559129280 /nfs/dbraw/zinc/12/92/80/559129280.db2.gz RJKHZYOKLQZSDZ-SFHVURJKSA-N 1 2 404.297 3.448 50 0 HGAALO O=C1C[C@H](N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000100095810 559146818 /nfs/dbraw/zinc/14/68/18/559146818.db2.gz WQNOPHPESMNOSW-IBGZPJMESA-N 1 2 418.324 3.443 50 0 HGAALO COc1cc(Br)c(CNC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1O ZINC000014157535 559154156 /nfs/dbraw/zinc/15/41/56/559154156.db2.gz DLQWLZYFWFVULA-KRWDZBQOSA-N 1 2 421.335 3.154 50 0 HGAALO COc1cc(Br)c(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1O ZINC000014157535 559154157 /nfs/dbraw/zinc/15/41/57/559154157.db2.gz DLQWLZYFWFVULA-KRWDZBQOSA-N 1 2 421.335 3.154 50 0 HGAALO CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000023387387 559173797 /nfs/dbraw/zinc/17/37/97/559173797.db2.gz CIRVJOXRIAAPON-FQEVSTJZSA-N 1 2 422.447 3.470 50 0 HGAALO O=C(CN1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1)N1CCc2ccccc21 ZINC000011695781 559189026 /nfs/dbraw/zinc/18/90/26/559189026.db2.gz CFOUXFJAYCYCOC-UHFFFAOYSA-N 1 2 421.932 3.237 50 0 HGAALO O=c1[nH]c(=S)n(-c2ccccc2F)c(O)c1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000100755811 559263663 /nfs/dbraw/zinc/26/36/63/559263663.db2.gz GDKSMCSVPZODQG-SFHVURJKSA-N 1 2 408.458 3.456 50 0 biogenic HGAALO COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(C[NH+]2CCCCC2)C3=O)cc1 ZINC000226758648 559273832 /nfs/dbraw/zinc/27/38/32/559273832.db2.gz ZXFCDYMSTODJBE-QHCPKHFHSA-N 1 2 423.538 3.418 50 0 HGAALO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](C)Cc2c(C)nc3sccn32)c1 ZINC000079094759 560541178 /nfs/dbraw/zinc/54/11/78/560541178.db2.gz JTNSYXWSTNWAQU-UHFFFAOYSA-N 1 2 413.547 3.257 50 0 HGAALO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2c(C)nc3sccn32)c1 ZINC000079094759 560541181 /nfs/dbraw/zinc/54/11/81/560541181.db2.gz JTNSYXWSTNWAQU-UHFFFAOYSA-N 1 2 413.547 3.257 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000005304741 560563116 /nfs/dbraw/zinc/56/31/16/560563116.db2.gz OFZSRVMXIITFEV-YSFYHYPLSA-N 1 2 402.494 3.447 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000005304741 560563118 /nfs/dbraw/zinc/56/31/18/560563118.db2.gz OFZSRVMXIITFEV-YSFYHYPLSA-N 1 2 402.494 3.447 50 0 HGAALO O=S(=O)(c1ccc(Br)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000017082148 560862063 /nfs/dbraw/zinc/86/20/63/560862063.db2.gz XWSYKQIDBHDMTJ-UHFFFAOYSA-N 1 2 401.351 3.017 50 0 HGAALO O=C(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000022907432 568415737 /nfs/dbraw/zinc/41/57/37/568415737.db2.gz KJXFKWWLXQCJBJ-FQEVSTJZSA-N 1 2 407.445 3.273 50 0 HGAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000022907432 568415738 /nfs/dbraw/zinc/41/57/38/568415738.db2.gz KJXFKWWLXQCJBJ-FQEVSTJZSA-N 1 2 407.445 3.273 50 0 HGAALO COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907474 568416078 /nfs/dbraw/zinc/41/60/78/568416078.db2.gz ULLUJINBJZTIFW-HXUWFJFHSA-N 1 2 419.481 3.143 50 0 HGAALO COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907474 568416080 /nfs/dbraw/zinc/41/60/80/568416080.db2.gz ULLUJINBJZTIFW-HXUWFJFHSA-N 1 2 419.481 3.143 50 0 HGAALO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cn2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000048279335 568435905 /nfs/dbraw/zinc/43/59/05/568435905.db2.gz QYLIPAPXYAFHAK-UHFFFAOYSA-N 1 2 417.868 3.373 50 0 HGAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cccc(OCc2ccccn2)c1 ZINC000048355882 568441519 /nfs/dbraw/zinc/44/15/19/568441519.db2.gz OFCJLTGSKKYSSM-UHFFFAOYSA-N 1 2 419.485 3.214 50 0 HGAALO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)c1 ZINC000007742080 568484034 /nfs/dbraw/zinc/48/40/34/568484034.db2.gz CEKZFVKKZZZZQT-HXUWFJFHSA-N 1 2 411.502 3.229 50 0 HGAALO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)c1 ZINC000007742080 568484035 /nfs/dbraw/zinc/48/40/35/568484035.db2.gz CEKZFVKKZZZZQT-HXUWFJFHSA-N 1 2 411.502 3.229 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)[C@@H](NC(=O)C3CCCCC3)C(C)C)CC2)cc1 ZINC000024957810 568498935 /nfs/dbraw/zinc/49/89/35/568498935.db2.gz OZELCQAIHDEVPA-QFIPXVFZSA-N 1 2 415.578 3.061 50 0 HGAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccc(C)cc3s2)no1 ZINC000022768253 568499383 /nfs/dbraw/zinc/49/93/83/568499383.db2.gz SDXUMUSNMPAFQC-UHFFFAOYSA-N 1 2 400.504 3.270 50 0 HGAALO CCc1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000022786114 568499634 /nfs/dbraw/zinc/49/96/34/568499634.db2.gz RVJBTSLLVDUQAB-GOSISDBHSA-N 1 2 411.546 3.411 50 0 HGAALO COc1ccc2c(CC(=O)NC[C@@H](c3cccs3)[NH+]3CCOCC3)coc2c1 ZINC000022760215 568500114 /nfs/dbraw/zinc/50/01/14/568500114.db2.gz VLGGPPDUUZWGOO-SFHVURJKSA-N 1 2 400.500 3.235 50 0 HGAALO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000039546161 568599008 /nfs/dbraw/zinc/59/90/08/568599008.db2.gz IUZDFTXYQFTBAR-RUZDIDTESA-N 1 2 414.509 3.387 50 0 HGAALO O=C(CN1CCN(c2[nH]c3ccccc3[nH+]2)CC1)Nc1ccccc1C(F)(F)F ZINC000095348943 568600189 /nfs/dbraw/zinc/60/01/89/568600189.db2.gz ILWXPEAXTMQDFO-UHFFFAOYSA-N 1 2 403.408 3.342 50 0 HGAALO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCCC3 ZINC000020489130 568614061 /nfs/dbraw/zinc/61/40/61/568614061.db2.gz LZHZJYBPTTYRER-UHFFFAOYSA-N 1 2 422.554 3.061 50 0 HGAALO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@@H]1C(C)C ZINC000095468501 568625328 /nfs/dbraw/zinc/62/53/28/568625328.db2.gz RZQFOSXBQFKAFV-LJQANCHMSA-N 1 2 413.484 3.179 50 0 HGAALO COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@@H]1C(C)C ZINC000095468501 568625329 /nfs/dbraw/zinc/62/53/29/568625329.db2.gz RZQFOSXBQFKAFV-LJQANCHMSA-N 1 2 413.484 3.179 50 0 HGAALO O=C(NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000020902077 568649999 /nfs/dbraw/zinc/64/99/99/568649999.db2.gz FZSYFGJWESZZMF-JOCHJYFZSA-N 1 2 418.472 3.075 50 0 HGAALO O=C(NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000020902077 568650003 /nfs/dbraw/zinc/65/00/03/568650003.db2.gz FZSYFGJWESZZMF-JOCHJYFZSA-N 1 2 418.472 3.075 50 0 HGAALO C[C@H]1C[N@H+](Cc2cccnc2)CCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000225617242 568657443 /nfs/dbraw/zinc/65/74/43/568657443.db2.gz TZWCZVPKUOUAPR-AWEZNQCLSA-N 1 2 406.299 3.259 50 0 HGAALO C[C@H]1C[N@@H+](Cc2cccnc2)CCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000225617242 568657445 /nfs/dbraw/zinc/65/74/45/568657445.db2.gz TZWCZVPKUOUAPR-AWEZNQCLSA-N 1 2 406.299 3.259 50 0 HGAALO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095950327 568667443 /nfs/dbraw/zinc/66/74/43/568667443.db2.gz UWUZQSKHMUQKAX-HNNXBMFYSA-N 1 2 404.436 3.200 50 0 HGAALO COCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2C)CC1 ZINC000021160219 568674536 /nfs/dbraw/zinc/67/45/36/568674536.db2.gz WGMDLNIEAUPZJF-UHFFFAOYSA-N 1 2 406.530 3.372 50 0 HGAALO O=S(=O)(Nc1cc[nH+]cc1N1CCCCC1)c1cnn(-c2ccccc2F)c1 ZINC000096013527 568685448 /nfs/dbraw/zinc/68/54/48/568685448.db2.gz AIOYAOILVHCEHD-UHFFFAOYSA-N 1 2 401.467 3.198 50 0 HGAALO CC(C)n1nnc(-c2ccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)n1 ZINC000096223032 568706091 /nfs/dbraw/zinc/70/60/91/568706091.db2.gz WTOZFFZBPIMYNI-RMKNXTFCSA-N 1 2 416.529 3.392 50 0 HGAALO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000229886035 568715838 /nfs/dbraw/zinc/71/58/38/568715838.db2.gz UPVXRZXAZJOAQF-HCXYKTFWSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000229886035 568715840 /nfs/dbraw/zinc/71/58/40/568715840.db2.gz UPVXRZXAZJOAQF-HCXYKTFWSA-N 1 2 412.848 3.314 50 0 HGAALO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000239667404 568729778 /nfs/dbraw/zinc/72/97/78/568729778.db2.gz BPVLJGDYCTUGFX-CABCVRRESA-N 1 2 420.460 3.229 50 0 HGAALO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000239667404 568729781 /nfs/dbraw/zinc/72/97/81/568729781.db2.gz BPVLJGDYCTUGFX-CABCVRRESA-N 1 2 420.460 3.229 50 0 HGAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000000904727 568749772 /nfs/dbraw/zinc/74/97/72/568749772.db2.gz XHOWQCGJQWKRTR-UHFFFAOYSA-N 1 2 405.439 3.275 50 0 HGAALO COc1cc(OC)cc([C@H](NC(=O)c2ccc(Br)o2)c2[nH+]ccn2C)c1 ZINC000029130669 568820912 /nfs/dbraw/zinc/82/09/12/568820912.db2.gz UTKKIBINVICGMQ-INIZCTEOSA-N 1 2 420.263 3.312 50 0 HGAALO COc1ccccc1N1CC[NH+](CCNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000056997318 568822501 /nfs/dbraw/zinc/82/25/01/568822501.db2.gz JOVPTQIJARLTTM-UHFFFAOYSA-N 1 2 407.436 3.266 50 0 HGAALO O=C(C[NH+]1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1)N1CCCC1 ZINC000057378590 568830282 /nfs/dbraw/zinc/83/02/82/568830282.db2.gz GRGLNEWPSZHCJY-UHFFFAOYSA-N 1 2 401.514 3.041 50 0 HGAALO COC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057414189 568833356 /nfs/dbraw/zinc/83/33/56/568833356.db2.gz USYQTEPNQGYTFN-HSZRJFAPSA-N 1 2 419.525 3.422 50 0 HGAALO CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000012507686 568839693 /nfs/dbraw/zinc/83/96/93/568839693.db2.gz WBYOLZJWVIRMMB-UHFFFAOYSA-N 1 2 407.927 3.282 50 0 HGAALO CC[N@H+](CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000012528258 568843873 /nfs/dbraw/zinc/84/38/73/568843873.db2.gz AUPAIVLAZOHOIG-UHFFFAOYSA-N 1 2 401.532 3.008 50 0 HGAALO CC[N@@H+](CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000012528258 568843874 /nfs/dbraw/zinc/84/38/74/568843874.db2.gz AUPAIVLAZOHOIG-UHFFFAOYSA-N 1 2 401.532 3.008 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000012560183 568857537 /nfs/dbraw/zinc/85/75/37/568857537.db2.gz APDGRDCPNNWGPF-SFHVURJKSA-N 1 2 417.296 3.363 50 0 HGAALO O=C(C[NH+]1CCN(c2ncccn2)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000057756240 568860063 /nfs/dbraw/zinc/86/00/63/568860063.db2.gz NOBZAJHAJMOUHN-UHFFFAOYSA-N 1 2 411.525 3.099 50 0 HGAALO COc1ccc(/C=C/C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1OC ZINC000030536320 568870001 /nfs/dbraw/zinc/87/00/01/568870001.db2.gz IZANPCWTLXGLLB-FTUXVVSKSA-N 1 2 410.514 3.215 50 0 HGAALO CCOC(=O)C1CC[NH+]([C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000058012547 568876138 /nfs/dbraw/zinc/87/61/38/568876138.db2.gz HRMOMVCSGOWNSH-NRFANRHFSA-N 1 2 410.470 3.370 50 0 HGAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000012779758 568956680 /nfs/dbraw/zinc/95/66/80/568956680.db2.gz CTRFBWJBPWGNQI-UHFFFAOYSA-N 1 2 419.319 3.295 50 0 HGAALO CCc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)[nH]n2)cc1 ZINC000015679302 568966256 /nfs/dbraw/zinc/96/62/56/568966256.db2.gz VFSJERPMNFSKTM-UHFFFAOYSA-N 1 2 418.497 3.326 50 0 HGAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)C1 ZINC000012810232 568980211 /nfs/dbraw/zinc/98/02/11/568980211.db2.gz XMXOGIRBSBKFED-CYBMUJFWSA-N 1 2 406.939 3.397 50 0 HGAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)C1 ZINC000012810232 568980213 /nfs/dbraw/zinc/98/02/13/568980213.db2.gz XMXOGIRBSBKFED-CYBMUJFWSA-N 1 2 406.939 3.397 50 0 HGAALO O=C(NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000015786390 569007541 /nfs/dbraw/zinc/00/75/41/569007541.db2.gz JTPJNKAUZSDPIQ-UHFFFAOYSA-N 1 2 405.546 3.426 50 0 HGAALO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012824997 569009196 /nfs/dbraw/zinc/00/91/96/569009196.db2.gz MJVMARJWLGGASO-MRXNPFEDSA-N 1 2 416.499 3.472 50 0 HGAALO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012824997 569009197 /nfs/dbraw/zinc/00/91/97/569009197.db2.gz MJVMARJWLGGASO-MRXNPFEDSA-N 1 2 416.499 3.472 50 0 HGAALO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000012856963 569011145 /nfs/dbraw/zinc/01/11/45/569011145.db2.gz KQRNUHFCEIZZSA-UHFFFAOYSA-N 1 2 415.342 3.304 50 0 HGAALO CC(C)Sc1ccccc1N1CC[NH+](CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000102195584 569034661 /nfs/dbraw/zinc/03/46/61/569034661.db2.gz AGWLUSJKNUQPEC-RTBURBONSA-N 1 2 415.603 3.484 50 0 HGAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)NCc4ccccn4)CC3)cn2)cc1C ZINC000035403558 569035618 /nfs/dbraw/zinc/03/56/18/569035618.db2.gz DYQWIVHPSGROJU-UHFFFAOYSA-N 1 2 401.514 3.290 50 0 HGAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)NCc4ccccn4)CC3)cn2)cc1C ZINC000035403558 569035619 /nfs/dbraw/zinc/03/56/19/569035619.db2.gz DYQWIVHPSGROJU-UHFFFAOYSA-N 1 2 401.514 3.290 50 0 HGAALO COc1cccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000035404597 569035783 /nfs/dbraw/zinc/03/57/83/569035783.db2.gz GLGZLOWHQUSNIU-UHFFFAOYSA-N 1 2 420.488 3.426 50 0 HGAALO COc1cccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000035404597 569035784 /nfs/dbraw/zinc/03/57/84/569035784.db2.gz GLGZLOWHQUSNIU-UHFFFAOYSA-N 1 2 420.488 3.426 50 0 HGAALO COc1ccc([C@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(C)c3ccccc23)cc1 ZINC000035579689 569046137 /nfs/dbraw/zinc/04/61/37/569046137.db2.gz YRMDEQDTTHNEQU-QFIPXVFZSA-N 1 2 421.541 3.157 50 0 HGAALO C[C@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)[NH+]1CCC(O)CC1 ZINC000013004563 569049577 /nfs/dbraw/zinc/04/95/77/569049577.db2.gz HPXYSSKTIMXCJF-KUHUBIRLSA-N 1 2 401.894 3.456 50 0 HGAALO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000248148486 569057674 /nfs/dbraw/zinc/05/76/74/569057674.db2.gz USJLSKUJLJCMPX-FUMNGEBKSA-N 1 2 424.884 3.184 50 0 HGAALO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000248148486 569057675 /nfs/dbraw/zinc/05/76/75/569057675.db2.gz USJLSKUJLJCMPX-FUMNGEBKSA-N 1 2 424.884 3.184 50 0 HGAALO Cc1ccc(-c2nc3nc4c(c(N5CCN(c6cccc[nH+]6)CC5)n3n2)CCC4)cc1 ZINC000064592840 569069360 /nfs/dbraw/zinc/06/93/60/569069360.db2.gz UZINDDLYTULAOH-UHFFFAOYSA-N 1 2 411.513 3.310 50 0 HGAALO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(OC)c(OC)c2OC)cc1Cl ZINC000006607124 569071624 /nfs/dbraw/zinc/07/16/24/569071624.db2.gz JPJADYOIVOCWKS-UHFFFAOYSA-N 1 2 408.882 3.445 50 0 HGAALO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)c(OC)c2OC)cc1Cl ZINC000006607124 569071625 /nfs/dbraw/zinc/07/16/25/569071625.db2.gz JPJADYOIVOCWKS-UHFFFAOYSA-N 1 2 408.882 3.445 50 0 HGAALO CC(C)Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NC1CCN(c2cnccn2)CC1 ZINC000426498750 569073133 /nfs/dbraw/zinc/07/31/33/569073133.db2.gz RZMKWOPXAXGIEK-KRWDZBQOSA-N 1 2 406.534 3.371 50 0 HGAALO CC[C@@H](C)CN1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)NC(C)(C)C)CC2 ZINC000036026791 569079894 /nfs/dbraw/zinc/07/98/94/569079894.db2.gz WVNIELCBHYWVMH-QUCCMNQESA-N 1 2 414.594 3.376 50 0 HGAALO Cc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)NCc3ccco3)C3CCCC3)CC2)cc1 ZINC000036251687 569119529 /nfs/dbraw/zinc/11/95/29/569119529.db2.gz CXUXXZSGSVKFJG-QFIPXVFZSA-N 1 2 409.530 3.221 50 0 HGAALO COc1cccc(C(=O)N2CC[NH+]([C@H](C(=O)NCCC(C)C)C3CCCC3)CC2)c1 ZINC000036254594 569120124 /nfs/dbraw/zinc/12/01/24/569120124.db2.gz KKOVAYNAXRRBJZ-QFIPXVFZSA-N 1 2 415.578 3.174 50 0 HGAALO CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)CCc2ccccc2)CC1 ZINC000036254213 569120139 /nfs/dbraw/zinc/12/01/39/569120139.db2.gz JVTKVQOTOQKECE-GBXCKJPGSA-N 1 2 413.606 3.485 50 0 HGAALO C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 ZINC000006882140 569168315 /nfs/dbraw/zinc/16/83/15/569168315.db2.gz MCISZGOEKWOYAO-HNNXBMFYSA-N 1 2 413.971 3.185 50 0 HGAALO C[C@H]1CCC[N@H+](CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 ZINC000006882140 569168314 /nfs/dbraw/zinc/16/83/14/569168314.db2.gz MCISZGOEKWOYAO-HNNXBMFYSA-N 1 2 413.971 3.185 50 0 HGAALO CCOC(=O)C1CC[NH+](Cc2nc(-c3ccc(N4CCCCCC4)nc3)no2)CC1 ZINC000065216225 569197634 /nfs/dbraw/zinc/19/76/34/569197634.db2.gz GDHRTXOTSRPHGF-UHFFFAOYSA-N 1 2 413.522 3.287 50 0 HGAALO Cc1cc(F)ccc1NC(=O)C1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000065237096 569202786 /nfs/dbraw/zinc/20/27/86/569202786.db2.gz MYYWAKCYAYEOQO-UHFFFAOYSA-N 1 2 415.538 3.332 50 0 HGAALO Cc1cc(F)ccc1NC(=O)C1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000065237096 569202787 /nfs/dbraw/zinc/20/27/87/569202787.db2.gz MYYWAKCYAYEOQO-UHFFFAOYSA-N 1 2 415.538 3.332 50 0 HGAALO Cc1ccc(Nc2cc(N3CCC(C(=O)NCc4ccncc4)CC3)nc[nH+]2)cc1 ZINC000065237259 569202865 /nfs/dbraw/zinc/20/28/65/569202865.db2.gz YLWBNTWFXRKSED-UHFFFAOYSA-N 1 2 402.502 3.456 50 0 HGAALO COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)Cc1cccc(C)c1)C2 ZINC000065259901 569210876 /nfs/dbraw/zinc/21/08/76/569210876.db2.gz KTXIVHWDDXBUFE-DEOSSOPVSA-N 1 2 406.530 3.290 50 0 HGAALO Cc1ccc(C(=O)N2CC[C@@]3(C2)[NH2+]Cc2ccccc2NC3=NC2CCCC2)cn1 ZINC000065265894 569213153 /nfs/dbraw/zinc/21/31/53/569213153.db2.gz MXPMZVUIWTVGHW-DEOSSOPVSA-N 1 2 403.530 3.340 50 0 HGAALO CCCNc1cc(N2CCC(CCC(=O)N3CCC(COC)CC3)CC2)nc[nH+]1 ZINC000065274247 569215112 /nfs/dbraw/zinc/21/51/12/569215112.db2.gz IXXWUVXOKNPLIT-UHFFFAOYSA-N 1 2 403.571 3.180 50 0 HGAALO CCCNc1cc(N2CCC(CCC(=O)N3CCC(COC)CC3)CC2)[nH+]cn1 ZINC000065274247 569215113 /nfs/dbraw/zinc/21/51/13/569215113.db2.gz IXXWUVXOKNPLIT-UHFFFAOYSA-N 1 2 403.571 3.180 50 0 HGAALO Cc1cc(NC(=O)Cn2ncc3c2nc[nH+]c3N2CCCC2)ccc1Br ZINC000065294966 569218658 /nfs/dbraw/zinc/21/86/58/569218658.db2.gz KPJKMKIHAINZFI-UHFFFAOYSA-N 1 2 415.295 3.136 50 0 HGAALO CC1CCN(c2[nH+]cnc3c2cnn3CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000065295474 569218703 /nfs/dbraw/zinc/21/87/03/569218703.db2.gz CUFBKTUVBKIVMP-UHFFFAOYSA-N 1 2 402.861 3.494 50 0 HGAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000065295958 569218853 /nfs/dbraw/zinc/21/88/53/569218853.db2.gz IFGROQXFNZSDCB-UHFFFAOYSA-N 1 2 406.412 3.008 50 0 HGAALO Cc1cc(F)ccc1S(=O)(=O)NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700423 569222898 /nfs/dbraw/zinc/22/28/98/569222898.db2.gz KBGZMQLGIZXWMZ-FQEVSTJZSA-N 1 2 406.523 3.266 50 0 HGAALO Cc1cc(F)ccc1S(=O)(=O)NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700423 569222899 /nfs/dbraw/zinc/22/28/99/569222899.db2.gz KBGZMQLGIZXWMZ-FQEVSTJZSA-N 1 2 406.523 3.266 50 0 HGAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000009883485 569251569 /nfs/dbraw/zinc/25/15/69/569251569.db2.gz OJVHFLGBGQWSCD-SFHVURJKSA-N 1 2 405.502 3.405 50 0 HGAALO O=C(CCNC(=O)c1ccc2ccccc2c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000089878705 569267594 /nfs/dbraw/zinc/26/75/94/569267594.db2.gz KEISRUFKKRPMCT-UHFFFAOYSA-N 1 2 417.509 3.010 50 0 HGAALO CC(C)c1[nH+]c2cc(NC(=O)C[C@H]3NC(=O)N(Cc4ccccc4)C3=O)ccc2n1C ZINC000252536310 569292886 /nfs/dbraw/zinc/29/28/86/569292886.db2.gz IDAOHJYRZPVHLA-GOSISDBHSA-N 1 2 419.485 3.350 50 0 HGAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)NC(=O)Nc2ccccc2F)c1 ZINC000007718668 569302191 /nfs/dbraw/zinc/30/21/91/569302191.db2.gz MUVLVNRTHNXWGO-GOSISDBHSA-N 1 2 401.438 3.328 50 0 HGAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)NC(=O)Nc2ccccc2F)c1 ZINC000007718668 569302192 /nfs/dbraw/zinc/30/21/92/569302192.db2.gz MUVLVNRTHNXWGO-GOSISDBHSA-N 1 2 401.438 3.328 50 0 HGAALO CN(C[C@H]1CCCCO1)c1nc(N(C)C[C@H]2CCCCO2)c(Br)c[nH+]1 ZINC000252669507 569319097 /nfs/dbraw/zinc/31/90/97/569319097.db2.gz HSHYNNFSILBTMG-HUUCEWRRSA-N 1 2 413.360 3.250 50 0 HGAALO COc1ccc(Br)c(C(=O)N2CC([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000253471579 569381231 /nfs/dbraw/zinc/38/12/31/569381231.db2.gz DHZDVGIRTLYQAO-UHFFFAOYSA-N 1 2 401.304 3.340 50 0 HGAALO COc1ccc(Br)c(C(=O)N2CC([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000253471579 569381232 /nfs/dbraw/zinc/38/12/32/569381232.db2.gz DHZDVGIRTLYQAO-UHFFFAOYSA-N 1 2 401.304 3.340 50 0 HGAALO C[C@H](Cc1ccccc1F)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000078825122 569420812 /nfs/dbraw/zinc/42/08/12/569420812.db2.gz FEZZLICWDVZVQH-MRXNPFEDSA-N 1 2 410.493 3.394 50 0 HGAALO CCCC12CN3CC(CCC)(C[NH+](C1)C3c1cc3ccc(OC)cc3[nH]c1=O)C2=O ZINC000079191930 569429333 /nfs/dbraw/zinc/42/93/33/569429333.db2.gz HVYDZYWRMKWEGL-UHFFFAOYSA-N 1 2 409.530 3.322 50 0 biogenic HGAALO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000040120204 571176297 /nfs/dbraw/zinc/17/62/97/571176297.db2.gz ISNITIAUDVVCRQ-AWEZNQCLSA-N 1 2 404.461 3.237 50 0 HGAALO O=C(c1cc(-c2cccnc2)on1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000040130642 571182525 /nfs/dbraw/zinc/18/25/25/571182525.db2.gz IRALYZXKMCQXJE-UHFFFAOYSA-N 1 2 412.877 3.227 50 0 HGAALO Cc1n[nH]c(-c2ccc(OCC[NH+]3CCC(C(N)=O)CC3)cc2O)c1-c1ccccc1 ZINC000008996559 571208883 /nfs/dbraw/zinc/20/88/83/571208883.db2.gz DOGHWZRQPBSZBE-UHFFFAOYSA-N 1 2 420.513 3.334 50 0 HGAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(OC)c2)CC1 ZINC000009265424 571243953 /nfs/dbraw/zinc/24/39/53/571243953.db2.gz VQCUBOGNUPVOBS-UHFFFAOYSA-N 1 2 407.470 3.471 50 0 HGAALO O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccc[nH+]c1N1CCCCC1 ZINC000070038971 571254837 /nfs/dbraw/zinc/25/48/37/571254837.db2.gz KIFFYTXWAZBIDP-UHFFFAOYSA-N 1 2 414.893 3.340 50 0 HGAALO Cc1sc2nc(CN3CCOCC3)nc(NCc3cn4ccccc4[nH+]3)c2c1C ZINC000009738170 571283150 /nfs/dbraw/zinc/28/31/50/571283150.db2.gz RVFGKRNWPHFHCW-UHFFFAOYSA-N 1 2 408.531 3.400 50 0 HGAALO Cn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000001370909 571304054 /nfs/dbraw/zinc/30/40/54/571304054.db2.gz TWFMLBNPQVAEAI-UHFFFAOYSA-N 1 2 424.448 3.103 50 0 HGAALO Cn1ncc2c1nc(N1CCN(c3ccc(F)cc3)CC1)[nH+]c2NCc1ccccc1 ZINC000004272767 132274232 /nfs/dbraw/zinc/27/42/32/132274232.db2.gz FDTSQISSQDVCRA-UHFFFAOYSA-N 1 2 417.492 3.441 50 0 HGAALO CCc1[nH+]c(C)nc(N2CCN(S(=O)(=O)CC)CC2)c1Cc1cc(C)ccc1C ZINC000006776224 132315550 /nfs/dbraw/zinc/31/55/50/132315550.db2.gz ZEIWAQTXJFYIQI-UHFFFAOYSA-N 1 2 416.591 3.027 50 0 HGAALO Cc1cccc([S@@](=O)Cc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)o2)c1 ZINC000006895194 132320023 /nfs/dbraw/zinc/32/00/23/132320023.db2.gz ORBOKYVNXRDEHH-GDLZYMKVSA-N 1 2 409.511 3.253 50 0 HGAALO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(N2CCOCC2)cc1 ZINC000008706887 132332416 /nfs/dbraw/zinc/33/24/16/132332416.db2.gz DTXRJJOMJYTOCW-HXUWFJFHSA-N 1 2 415.559 3.204 50 0 HGAALO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(N2CCOCC2)cc1 ZINC000008706887 132332419 /nfs/dbraw/zinc/33/24/19/132332419.db2.gz DTXRJJOMJYTOCW-HXUWFJFHSA-N 1 2 415.559 3.204 50 0 HGAALO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(N(C)C)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000012639296 132365624 /nfs/dbraw/zinc/36/56/24/132365624.db2.gz GFTSAZWJEBHGTO-SFHVURJKSA-N 1 2 410.566 3.124 50 0 HGAALO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(F)c(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012855954 132367840 /nfs/dbraw/zinc/36/78/40/132367840.db2.gz LDRJBAKPXUAVEE-HNNXBMFYSA-N 1 2 403.477 3.336 50 0 HGAALO CCOc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)cc1 ZINC000030282571 521272713 /nfs/dbraw/zinc/27/27/13/521272713.db2.gz BCGQXYCXDBWVFJ-GOSISDBHSA-N 1 2 413.499 3.232 50 0 HGAALO CCOc1ccc([C@H]2CCC[N@H+]2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)cc1 ZINC000030282571 521272723 /nfs/dbraw/zinc/27/27/23/521272723.db2.gz BCGQXYCXDBWVFJ-GOSISDBHSA-N 1 2 413.499 3.232 50 0 HGAALO COc1c2c(c(NC(=O)c3cccc(Br)c3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123870 521886347 /nfs/dbraw/zinc/88/63/47/521886347.db2.gz GLIRLXUPXDNJOK-UHFFFAOYSA-N 1 2 419.275 3.427 50 0 biogenic HGAALO COc1c2c(c(NC(=O)c3cccc(Br)c3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123870 521886356 /nfs/dbraw/zinc/88/63/56/521886356.db2.gz GLIRLXUPXDNJOK-UHFFFAOYSA-N 1 2 419.275 3.427 50 0 biogenic HGAALO COCc1cc(CN2CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C2)ccc1OC ZINC000020539557 522922255 /nfs/dbraw/zinc/92/22/55/522922255.db2.gz KIWYGIGDEDXICE-NRFANRHFSA-N 1 2 402.510 3.050 50 0 HGAALO COCc1cc(CN2CC[N@@H+](Cc3ccccc3F)[C@@H](CCO)C2)ccc1OC ZINC000020539557 522922264 /nfs/dbraw/zinc/92/22/64/522922264.db2.gz KIWYGIGDEDXICE-NRFANRHFSA-N 1 2 402.510 3.050 50 0 HGAALO COc1ccc(CN(C)C(=O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1F ZINC000032738501 523994757 /nfs/dbraw/zinc/99/47/57/523994757.db2.gz POMUIVQBEPRNDX-UHFFFAOYSA-N 1 2 419.928 3.264 50 0 HGAALO COc1ccc(CN(C)C(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000032738501 523994760 /nfs/dbraw/zinc/99/47/60/523994760.db2.gz POMUIVQBEPRNDX-UHFFFAOYSA-N 1 2 419.928 3.264 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)/C=C/c3cnn(-c4ccccc4)c3)CC2)cc1F ZINC000030226403 524030615 /nfs/dbraw/zinc/03/06/15/524030615.db2.gz WAEJTIVHSSYSPK-CSKARUKUSA-N 1 2 420.488 3.378 50 0 HGAALO Cc1ccc(CN2CC[N@H+](Cc3cccn3-c3ccc(Cl)cn3)C[C@@H]2CCO)o1 ZINC000020536069 524459039 /nfs/dbraw/zinc/45/90/39/524459039.db2.gz JGJHRKXFWUXZJP-IBGZPJMESA-N 1 2 414.937 3.496 50 0 HGAALO Cc1ccc(CN2CC[N@@H+](Cc3cccn3-c3ccc(Cl)cn3)C[C@@H]2CCO)o1 ZINC000020536069 524459043 /nfs/dbraw/zinc/45/90/43/524459043.db2.gz JGJHRKXFWUXZJP-IBGZPJMESA-N 1 2 414.937 3.496 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)N(Cc1ccccc1F)C1CC1 ZINC000022806680 526774893 /nfs/dbraw/zinc/77/48/93/526774893.db2.gz HJXSHEYZVCFXAI-UHFFFAOYSA-N 1 2 423.532 3.069 50 0 HGAALO O=C(C[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1)N(Cc1ccccc1F)C1CC1 ZINC000022806680 526774898 /nfs/dbraw/zinc/77/48/98/526774898.db2.gz HJXSHEYZVCFXAI-UHFFFAOYSA-N 1 2 423.532 3.069 50 0 HGAALO O=c1cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2o1 ZINC000020547833 527478060 /nfs/dbraw/zinc/47/80/60/527478060.db2.gz MJCMQAJJCWODLM-UHFFFAOYSA-N 1 2 412.873 3.493 50 0 HGAALO CCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NCC3CC3)cc2)[nH+]1 ZINC000006774001 536146641 /nfs/dbraw/zinc/14/66/41/536146641.db2.gz NITHLXFEPRVTMQ-UHFFFAOYSA-N 1 2 412.559 3.308 50 0 HGAALO CC(C)N(C)c1nc(N2CCCCC2)[nH+]c2c1CN(C(=O)Cc1ccccc1)CC2 ZINC000034756136 557458734 /nfs/dbraw/zinc/45/87/34/557458734.db2.gz BXPVBTJWJCVGBE-UHFFFAOYSA-N 1 2 407.562 3.439 50 0 HGAALO O=C(Cc1ccccc1)N1CCc2[nH+]c(N3CCCCC3)nc(N3CCCC3)c2C1 ZINC000034756187 557458805 /nfs/dbraw/zinc/45/88/05/557458805.db2.gz ZCLIPLIQKNUGFK-UHFFFAOYSA-N 1 2 405.546 3.195 50 0 HGAALO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(C)CC2)cc1 ZINC000022698263 557794308 /nfs/dbraw/zinc/79/43/08/557794308.db2.gz BBPCEGKWDKMPOC-HSZRJFAPSA-N 1 2 407.514 3.149 50 0 HGAALO COc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000019889425 558302486 /nfs/dbraw/zinc/30/24/86/558302486.db2.gz XPPMSLNXVNOWSA-UHFFFAOYSA-N 1 2 408.420 3.437 50 0 HGAALO O=C(c1c(F)cccc1F)N1CC[NH+](Cc2cc3cccc4c3n(c2=O)CCC4)CC1 ZINC000019925375 558307679 /nfs/dbraw/zinc/30/76/79/558307679.db2.gz KHYBPTWJQDBKJT-UHFFFAOYSA-N 1 2 423.463 3.184 50 0 HGAALO FC(F)C(F)(F)Oc1cccc(C2N=NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000020028585 558322768 /nfs/dbraw/zinc/32/27/68/558322768.db2.gz ZJAMQZVHZBVCIB-UHFFFAOYSA-N 1 2 420.432 3.193 50 0 HGAALO COc1ccc(OC[C@@H](O)Cn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])cc1 ZINC000020130511 558337279 /nfs/dbraw/zinc/33/72/79/558337279.db2.gz KOEKRBDEZZOVBZ-IBGZPJMESA-N 1 2 403.482 3.419 50 0 HGAALO C[N@H+](CC(=O)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1)Cc1cccnc1 ZINC000012199954 558351128 /nfs/dbraw/zinc/35/11/28/558351128.db2.gz MBRHYGCFMYLPGY-JOCHJYFZSA-N 1 2 401.938 3.011 50 0 HGAALO C[N@@H+](CC(=O)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1)Cc1cccnc1 ZINC000012199954 558351131 /nfs/dbraw/zinc/35/11/31/558351131.db2.gz MBRHYGCFMYLPGY-JOCHJYFZSA-N 1 2 401.938 3.011 50 0 HGAALO Cc1cccn2c(=O)c3cc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)sc3nc12 ZINC000020312455 558355131 /nfs/dbraw/zinc/35/51/31/558355131.db2.gz FCAXCMJOGNILHA-UHFFFAOYSA-N 1 2 418.522 3.176 50 0 HGAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1coc2c1C(=O)CCC2 ZINC000012448106 558415195 /nfs/dbraw/zinc/41/51/95/558415195.db2.gz GWBZYEQCYOBDKU-UHFFFAOYSA-N 1 2 404.470 3.198 50 0 HGAALO Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000021600993 558443068 /nfs/dbraw/zinc/44/30/68/558443068.db2.gz PDSOGIPFDOQHOV-LJQANCHMSA-N 1 2 406.877 3.482 50 0 HGAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000012790151 558464935 /nfs/dbraw/zinc/46/49/35/558464935.db2.gz BNQUTLHGDKSWBS-CYBMUJFWSA-N 1 2 406.939 3.397 50 0 HGAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000012790151 558464937 /nfs/dbraw/zinc/46/49/37/558464937.db2.gz BNQUTLHGDKSWBS-CYBMUJFWSA-N 1 2 406.939 3.397 50 0 HGAALO O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012975389 558490988 /nfs/dbraw/zinc/49/09/88/558490988.db2.gz UGOPQGABYWXHBO-UHFFFAOYSA-N 1 2 402.483 3.111 50 0 HGAALO Cc1ccc2c(C[NH+]3CCN(CC(=O)Nc4ccc(F)cc4C)CC3)cc(=O)oc2c1 ZINC000022752889 558507883 /nfs/dbraw/zinc/50/78/83/558507883.db2.gz ITTXMQCYMHXRHC-UHFFFAOYSA-N 1 2 423.488 3.305 50 0 biogenic,in-vitro HGAALO COc1ccc(CN2CCC[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cc1 ZINC000023008240 558530127 /nfs/dbraw/zinc/53/01/27/558530127.db2.gz WDPDWEMJLURIRO-UHFFFAOYSA-N 1 2 412.921 3.064 50 0 HGAALO COc1ccc(CN2CCC[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cc1 ZINC000023008240 558530130 /nfs/dbraw/zinc/53/01/30/558530130.db2.gz WDPDWEMJLURIRO-UHFFFAOYSA-N 1 2 412.921 3.064 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]3CCC[N@H+]23)cc1 ZINC000013556370 558540136 /nfs/dbraw/zinc/54/01/36/558540136.db2.gz MQFONYWUEWYXHW-NMLBUPMWSA-N 1 2 408.885 3.484 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]3CCC[N@@H+]23)cc1 ZINC000013556370 558540138 /nfs/dbraw/zinc/54/01/38/558540138.db2.gz MQFONYWUEWYXHW-NMLBUPMWSA-N 1 2 408.885 3.484 50 0 HGAALO CC(C)(CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)[NH+]1CCOCC1 ZINC000023466476 558559003 /nfs/dbraw/zinc/55/90/03/558559003.db2.gz HMYNNMZDDGKBFM-UHFFFAOYSA-N 1 2 404.514 3.380 50 0 HGAALO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023762848 558575017 /nfs/dbraw/zinc/57/50/17/558575017.db2.gz MXLKZNZSAQRNII-HNNXBMFYSA-N 1 2 404.436 3.200 50 0 HGAALO O=C(NCC[NH+]1CCOCC1)c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000023882944 558580392 /nfs/dbraw/zinc/58/03/92/558580392.db2.gz NOVUXPAUNARRIZ-UHFFFAOYSA-N 1 2 424.932 3.314 50 0 HGAALO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000025685731 558647831 /nfs/dbraw/zinc/64/78/31/558647831.db2.gz FSXOGUQMHBZTQL-AVRDEDQJSA-N 1 2 402.560 3.240 50 0 HGAALO CC1CC[NH+](Cc2csc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)n2)CC1 ZINC000014526039 558655620 /nfs/dbraw/zinc/65/56/20/558655620.db2.gz AVTYJCRLEZHXMH-UHFFFAOYSA-N 1 2 411.531 3.183 50 0 HGAALO COC(=O)[C@H](c1ccccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026160619 558656545 /nfs/dbraw/zinc/65/65/45/558656545.db2.gz KXHUCKKOMRTTQZ-FQEVSTJZSA-N 1 2 402.878 3.101 50 0 HGAALO C[C@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000026283823 558658312 /nfs/dbraw/zinc/65/83/12/558658312.db2.gz LRRSJVLBUPLCIW-HNNXBMFYSA-N 1 2 416.472 3.428 50 0 HGAALO C[C@@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000026283816 558658355 /nfs/dbraw/zinc/65/83/55/558658355.db2.gz LRRSJVLBUPLCIW-OAHLLOKOSA-N 1 2 416.472 3.428 50 0 HGAALO O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000026303046 558658840 /nfs/dbraw/zinc/65/88/40/558658840.db2.gz OYIBSSOWKLNSIG-IBGZPJMESA-N 1 2 407.518 3.242 50 0 HGAALO COCc1ccc(C[N@H+]2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3)C2)o1 ZINC000014543300 558660854 /nfs/dbraw/zinc/66/08/54/558660854.db2.gz QLMSQIQDGZJGTB-JOCHJYFZSA-N 1 2 400.519 3.312 50 0 HGAALO COCc1ccc(C[N@@H+]2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3)C2)o1 ZINC000014543300 558660857 /nfs/dbraw/zinc/66/08/57/558660857.db2.gz QLMSQIQDGZJGTB-JOCHJYFZSA-N 1 2 400.519 3.312 50 0 HGAALO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)[N@@H+]1CCc2sccc2C1 ZINC000026839768 558665587 /nfs/dbraw/zinc/66/55/87/558665587.db2.gz WEHRIAFTYSIHLV-LBPRGKRZSA-N 1 2 415.378 3.236 50 0 HGAALO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)[N@H+]1CCc2sccc2C1 ZINC000026839768 558665588 /nfs/dbraw/zinc/66/55/88/558665588.db2.gz WEHRIAFTYSIHLV-LBPRGKRZSA-N 1 2 415.378 3.236 50 0 HGAALO COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[N@H+](Cc2ccc(C)o2)C3)cc1 ZINC000014751822 558671113 /nfs/dbraw/zinc/67/11/13/558671113.db2.gz WWHWNXNLUUICFW-UHFFFAOYSA-N 1 2 422.529 3.296 50 0 HGAALO COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[N@@H+](Cc2ccc(C)o2)C3)cc1 ZINC000014751822 558671114 /nfs/dbraw/zinc/67/11/14/558671114.db2.gz WWHWNXNLUUICFW-UHFFFAOYSA-N 1 2 422.529 3.296 50 0 HGAALO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)C1 ZINC000015259944 558729981 /nfs/dbraw/zinc/72/99/81/558729981.db2.gz BBHXHQLSGKTFDD-ZDUSSCGKSA-N 1 2 411.405 3.122 50 0 HGAALO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)C1 ZINC000015259944 558729982 /nfs/dbraw/zinc/72/99/82/558729982.db2.gz BBHXHQLSGKTFDD-ZDUSSCGKSA-N 1 2 411.405 3.122 50 0 HGAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC(=O)Nc1cc(C)nn1C)CC2 ZINC000015593995 558745684 /nfs/dbraw/zinc/74/56/84/558745684.db2.gz YMGSUIHAVXIWEJ-DEOSSOPVSA-N 1 2 420.513 3.332 50 0 HGAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1cc(C)nn1C)CC2 ZINC000015593995 558745687 /nfs/dbraw/zinc/74/56/87/558745687.db2.gz YMGSUIHAVXIWEJ-DEOSSOPVSA-N 1 2 420.513 3.332 50 0 HGAALO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+](C)C)o1 ZINC000015860376 558757864 /nfs/dbraw/zinc/75/78/64/558757864.db2.gz VZVNMSOXKIIVMW-CQSZACIVSA-N 1 2 419.275 3.490 50 0 HGAALO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+](C)C)o1 ZINC000015860374 558757955 /nfs/dbraw/zinc/75/79/55/558757955.db2.gz AXVVHFKNTKWNBK-CQSZACIVSA-N 1 2 419.275 3.490 50 0 HGAALO CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cn3cc(C)ccc3[nH+]2)ccc1C ZINC000016250506 558781089 /nfs/dbraw/zinc/78/10/89/558781089.db2.gz RZDDUOZTPRZCTM-UHFFFAOYSA-N 1 2 415.515 3.339 50 0 HGAALO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)cc2)c1 ZINC000039387894 558820678 /nfs/dbraw/zinc/82/06/78/558820678.db2.gz JDRWNUYRWYXIMP-HXUWFJFHSA-N 1 2 418.497 3.436 50 0 HGAALO O=S(=O)(c1cccc2nsnc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000017094062 558822527 /nfs/dbraw/zinc/82/25/27/558822527.db2.gz QDWKYGSZHDTXNM-UHFFFAOYSA-N 1 2 424.551 3.351 50 0 HGAALO Cc1ccccc1-c1nnc(SCC(=O)N2CC[NH+](C)CC2)n1-c1ccccc1 ZINC000033013596 558833250 /nfs/dbraw/zinc/83/32/50/558833250.db2.gz SRXMPACHJHZKSP-UHFFFAOYSA-N 1 2 407.543 3.109 50 0 HGAALO Cc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000019112618 558841779 /nfs/dbraw/zinc/84/17/79/558841779.db2.gz MWVWKYYLFYNUFB-NRFANRHFSA-N 1 2 420.557 3.371 50 0 HGAALO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc(OC(F)(F)F)cc2)N1c1ccc2c(c1)OCO2 ZINC000019144548 558846663 /nfs/dbraw/zinc/84/66/63/558846663.db2.gz XRBYXWHHQGVVRF-HOCLYGCPSA-N 1 2 406.360 3.304 50 0 HGAALO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)N1c1ccc2c(c1)OCO2 ZINC000019144548 558846665 /nfs/dbraw/zinc/84/66/65/558846665.db2.gz XRBYXWHHQGVVRF-HOCLYGCPSA-N 1 2 406.360 3.304 50 0 HGAALO c1[nH]c2c([nH+]1)CCN(Cc1c[nH]nc1-c1ccc3c(c1)OCO3)[C@H]2c1ccccn1 ZINC000019148544 558847099 /nfs/dbraw/zinc/84/70/99/558847099.db2.gz TYDCNAGHLDHYCD-QFIPXVFZSA-N 1 2 400.442 3.071 50 0 HGAALO O=C(C1CCN(c2[nH+]cccc2-n2cccc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000033034568 558858719 /nfs/dbraw/zinc/85/87/19/558858719.db2.gz XANMBAYVEZLXQI-UHFFFAOYSA-N 1 2 415.541 3.438 50 0 HGAALO O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000072328644 558863867 /nfs/dbraw/zinc/86/38/67/558863867.db2.gz GTUVDMOBYFDPNJ-UHFFFAOYSA-N 1 2 424.888 3.417 50 0 HGAALO CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022185695 558864155 /nfs/dbraw/zinc/86/41/55/558864155.db2.gz BRMIAGCGEPMEHX-NRFANRHFSA-N 1 2 410.518 3.304 50 0 HGAALO COc1ccc(CCNC(=O)[C@@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc1OC ZINC000033071683 558866584 /nfs/dbraw/zinc/86/65/84/558866584.db2.gz PBFUSOGWGFBQMN-QGZVFWFLSA-N 1 2 408.502 3.155 50 0 HGAALO COc1ccc(OCC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1 ZINC000033084526 558868786 /nfs/dbraw/zinc/86/87/86/558868786.db2.gz KOGASZFOPOBETC-UHFFFAOYSA-N 1 2 407.470 3.406 50 0 HGAALO Cc1ccc(C[N@@H+]2CCN(Cc3c(C)cc(C)cc3-n3cccn3)C[C@@H]2CCO)o1 ZINC000019335695 558869888 /nfs/dbraw/zinc/86/98/88/558869888.db2.gz FDXXOIXYUWAKOP-NRFANRHFSA-N 1 2 408.546 3.459 50 0 HGAALO Cc1ccc(C[N@H+]2CCN(Cc3c(C)cc(C)cc3-n3cccn3)C[C@@H]2CCO)o1 ZINC000019335695 558869891 /nfs/dbraw/zinc/86/98/91/558869891.db2.gz FDXXOIXYUWAKOP-NRFANRHFSA-N 1 2 408.546 3.459 50 0 HGAALO CC[N@H+](CCCNC(=O)CN1N=C(c2ccccc2)CCC1=O)c1cccc(C)c1 ZINC000004669399 558877160 /nfs/dbraw/zinc/87/71/60/558877160.db2.gz OFTQRRKAOSURAK-UHFFFAOYSA-N 1 2 406.530 3.354 50 0 HGAALO CC[N@@H+](CCCNC(=O)CN1N=C(c2ccccc2)CCC1=O)c1cccc(C)c1 ZINC000004669399 558877162 /nfs/dbraw/zinc/87/71/62/558877162.db2.gz OFTQRRKAOSURAK-UHFFFAOYSA-N 1 2 406.530 3.354 50 0 HGAALO CC[N@H+](CCCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1cccc(C)c1 ZINC000004669456 558877411 /nfs/dbraw/zinc/87/74/11/558877411.db2.gz ONZSMPABEHQMOI-JOCHJYFZSA-N 1 2 407.558 3.419 50 0 HGAALO CC[N@@H+](CCCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1cccc(C)c1 ZINC000004669456 558877414 /nfs/dbraw/zinc/87/74/14/558877414.db2.gz ONZSMPABEHQMOI-JOCHJYFZSA-N 1 2 407.558 3.419 50 0 HGAALO Cc1cc(C)n(Cc2cccc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)c2)n1 ZINC000058064190 558897484 /nfs/dbraw/zinc/89/74/84/558897484.db2.gz RPDQVDJHOHZEAC-UHFFFAOYSA-N 1 2 418.541 3.310 50 0 HGAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1)NCc1ccoc1 ZINC000072148187 558929530 /nfs/dbraw/zinc/92/95/30/558929530.db2.gz HAMORJIPBNSAIQ-QFIPXVFZSA-N 1 2 419.481 3.079 50 0 HGAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1)NCc1ccoc1 ZINC000072148187 558929533 /nfs/dbraw/zinc/92/95/33/558929533.db2.gz HAMORJIPBNSAIQ-QFIPXVFZSA-N 1 2 419.481 3.079 50 0 HGAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1)NCc1ccco1 ZINC000072148528 558929539 /nfs/dbraw/zinc/92/95/39/558929539.db2.gz DTFNVLGOCYSVKK-JOCHJYFZSA-N 1 2 419.481 3.079 50 0 HGAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1)NCc1ccco1 ZINC000072148528 558929541 /nfs/dbraw/zinc/92/95/41/558929541.db2.gz DTFNVLGOCYSVKK-JOCHJYFZSA-N 1 2 419.481 3.079 50 0 HGAALO Cc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)c(Cl)c1 ZINC000065362908 558973719 /nfs/dbraw/zinc/97/37/19/558973719.db2.gz MMLHRGUAEBQRPE-UHFFFAOYSA-N 1 2 411.897 3.287 50 0 HGAALO O=C1OC2(CN1CCOc1ccccc1)CC[NH+](Cc1nc3ccccc3[nH]1)CC2 ZINC000072433826 558979684 /nfs/dbraw/zinc/97/96/84/558979684.db2.gz WZCSPQFTGFMZJW-UHFFFAOYSA-N 1 2 406.486 3.429 50 0 HGAALO Cc1ccccc1-c1noc(CN(C)C(=O)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000067621040 558989575 /nfs/dbraw/zinc/98/95/75/558989575.db2.gz BAZBRMWKDWVQFR-UHFFFAOYSA-N 1 2 406.486 3.149 50 0 HGAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(C)cc4)CC3)[nH+]c(C)n2)n1 ZINC000067622258 558989895 /nfs/dbraw/zinc/98/98/95/558989895.db2.gz XYWIWIDRVKITRA-UHFFFAOYSA-N 1 2 405.506 3.250 50 0 HGAALO CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)N(C)C)CC2)c1 ZINC000096792287 558990776 /nfs/dbraw/zinc/99/07/76/558990776.db2.gz NPOYWISSPNINLU-JOCHJYFZSA-N 1 2 407.514 3.369 50 0 HGAALO CN(Cc1c[nH+]c2ccccn12)C(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000067756769 558992491 /nfs/dbraw/zinc/99/24/91/558992491.db2.gz MQLLGNHVSNRAQW-KRWDZBQOSA-N 1 2 410.905 3.385 50 0 HGAALO O=C1OCCN1CCN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000096834799 558993886 /nfs/dbraw/zinc/99/38/86/558993886.db2.gz XZQYKJBBNVXDOV-UHFFFAOYSA-N 1 2 401.457 3.124 50 0 HGAALO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000097161949 558998109 /nfs/dbraw/zinc/99/81/09/558998109.db2.gz PPSZSXHWRMZBIL-VIFPVBQESA-N 1 2 407.293 3.340 50 0 HGAALO CC[N@H+](CCCNC(=O)Cn1cnc2c3cc(C)ccc3[nH]c2c1=O)c1ccccc1 ZINC000023125575 559013515 /nfs/dbraw/zinc/01/35/15/559013515.db2.gz BZAGDOZKXVFHJK-UHFFFAOYSA-N 1 2 417.513 3.219 50 0 HGAALO CC[N@@H+](CCCNC(=O)Cn1cnc2c3cc(C)ccc3[nH]c2c1=O)c1ccccc1 ZINC000023125575 559013517 /nfs/dbraw/zinc/01/35/17/559013517.db2.gz BZAGDOZKXVFHJK-UHFFFAOYSA-N 1 2 417.513 3.219 50 0 HGAALO NC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000023153827 559021850 /nfs/dbraw/zinc/02/18/50/559021850.db2.gz IHJOLPQMWLTQPI-UHFFFAOYSA-N 1 2 421.522 3.423 50 0 HGAALO NC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000023153827 559021851 /nfs/dbraw/zinc/02/18/51/559021851.db2.gz IHJOLPQMWLTQPI-UHFFFAOYSA-N 1 2 421.522 3.423 50 0 HGAALO COc1ccc([C@H]2C(C(=O)N3CCOCC3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004786677 559064173 /nfs/dbraw/zinc/06/41/73/559064173.db2.gz LBDBDFYHZVCDTQ-NRFANRHFSA-N 1 2 404.470 3.193 50 0 HGAALO COc1ccc(OC)c(CN2CC[NH+]([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)c1 ZINC000023257369 559068633 /nfs/dbraw/zinc/06/86/33/559068633.db2.gz JVGWETOQUKWQNW-DEOSSOPVSA-N 1 2 423.557 3.185 50 0 HGAALO Cc1c(C[N@@H+]2CC[C@H]([NH+]3CCOCC3)[C@H](CCC(=O)[O-])C2)oc2ccc(C)cc12 ZINC000091593265 559072331 /nfs/dbraw/zinc/07/23/31/559072331.db2.gz YKVVCXWUIKTQMB-QUCCMNQESA-N 1 2 400.519 3.437 50 0 HGAALO Cc1c(C[N@H+]2CC[C@H]([NH+]3CCOCC3)[C@H](CCC(=O)[O-])C2)oc2ccc(C)cc12 ZINC000091593265 559072332 /nfs/dbraw/zinc/07/23/32/559072332.db2.gz YKVVCXWUIKTQMB-QUCCMNQESA-N 1 2 400.519 3.437 50 0 HGAALO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cc(F)cc(F)c1F)CC2 ZINC000095522849 559085597 /nfs/dbraw/zinc/08/55/97/559085597.db2.gz GTBNSIYSSLETEB-UHFFFAOYSA-N 1 2 404.436 3.113 50 0 HGAALO O=C(C1CC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(F)cc1Cl)CC2 ZINC000095524205 559085865 /nfs/dbraw/zinc/08/58/65/559085865.db2.gz RRDXOVVEXWOUSF-UHFFFAOYSA-N 1 2 402.901 3.488 50 0 HGAALO O=S(=O)(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc2c(c1)OCCCO2 ZINC000072296321 559111088 /nfs/dbraw/zinc/11/10/88/559111088.db2.gz KKWXUSPHGRGFGM-UHFFFAOYSA-N 1 2 423.560 3.481 50 0 HGAALO COc1cccc(-c2cc(-c3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)[nH]n2)c1 ZINC000023312684 559115624 /nfs/dbraw/zinc/11/56/24/559115624.db2.gz ZHJUDZMGLJZUHJ-UHFFFAOYSA-N 1 2 420.513 3.204 50 0 HGAALO COc1cccc(-c2cc(-c3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)n[nH]2)c1 ZINC000023312684 559115625 /nfs/dbraw/zinc/11/56/25/559115625.db2.gz ZHJUDZMGLJZUHJ-UHFFFAOYSA-N 1 2 420.513 3.204 50 0 HGAALO CCOc1ccccc1N1CCN(C(=O)c2cnc(C[NH+]3CCCC3)s2)CC1 ZINC000097797711 559122332 /nfs/dbraw/zinc/12/23/32/559122332.db2.gz GLRICFXTJGECTJ-UHFFFAOYSA-N 1 2 400.548 3.100 50 0 HGAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccccc1 ZINC000100858651 559141431 /nfs/dbraw/zinc/14/14/31/559141431.db2.gz AITHRCOIFPFUQT-GOSISDBHSA-N 1 2 404.297 3.448 50 0 HGAALO Cc1cc(Br)ccc1SCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000014165022 559154261 /nfs/dbraw/zinc/15/42/61/559154261.db2.gz ZCLOOBHRYNRWQR-UHFFFAOYSA-N 1 2 401.370 3.077 50 0 HGAALO Cc1nnsc1C(=O)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000023336030 559172388 /nfs/dbraw/zinc/17/23/88/559172388.db2.gz XRFXBCNHWZCGCU-UHFFFAOYSA-N 1 2 404.539 3.493 50 0 HGAALO COc1ccccc1C(=O)N1CC[NH+]([C@@H](C(=O)NCCC(C)C)C2CCCC2)CC1 ZINC000036254626 559229881 /nfs/dbraw/zinc/22/98/81/559229881.db2.gz VXAAKURCNCQYND-JOCHJYFZSA-N 1 2 415.578 3.174 50 0 HGAALO Cc1ccc(C(=O)NCC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000011766289 559258779 /nfs/dbraw/zinc/25/87/79/559258779.db2.gz LIGAMXVVVUYINP-UHFFFAOYSA-N 1 2 420.538 3.378 50 0 HGAALO Cc1ccc(C(=O)NCC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000011766289 559258780 /nfs/dbraw/zinc/25/87/80/559258780.db2.gz LIGAMXVVVUYINP-UHFFFAOYSA-N 1 2 420.538 3.378 50 0 HGAALO COc1cccc(CN2CCC[C@@]3(CCN(c4nc[nH+]c(C)c4C)C3)C2=O)c1OC ZINC000426503107 559274506 /nfs/dbraw/zinc/27/45/06/559274506.db2.gz UJFVRWLXNOCONZ-QHCPKHFHSA-N 1 2 410.518 3.130 50 0 HGAALO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc2ccccc21 ZINC000061718051 559292863 /nfs/dbraw/zinc/29/28/63/559292863.db2.gz SOOOZOJAWALLPH-KRWDZBQOSA-N 1 2 403.486 3.094 50 0 HGAALO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000055027966 560083424 /nfs/dbraw/zinc/08/34/24/560083424.db2.gz BKZYAVMAJSKPSP-UHFFFAOYSA-N 1 2 418.497 3.176 50 0 biogenic,in-vitro HGAALO Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000005324960 560565159 /nfs/dbraw/zinc/56/51/59/560565159.db2.gz 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CCNc1cc(N2CCC[C@@H](CCC(=O)NCc3ccc(F)cc3F)C2)nc[nH+]1 ZINC000065245021 569204980 /nfs/dbraw/zinc/20/49/80/569204980.db2.gz OVDGXYVMQVJNBJ-HNNXBMFYSA-N 1 2 403.477 3.500 50 0 HGAALO CCNc1cc(N2CCC[C@@H](CCC(=O)NCc3ccc(F)cc3F)C2)[nH+]cn1 ZINC000065245021 569204981 /nfs/dbraw/zinc/20/49/81/569204981.db2.gz OVDGXYVMQVJNBJ-HNNXBMFYSA-N 1 2 403.477 3.500 50 0 HGAALO CCCC[NH+]1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)CC1 ZINC000065246492 569205549 /nfs/dbraw/zinc/20/55/49/569205549.db2.gz LQKMMZQGLOTPMU-UHFFFAOYSA-N 1 2 408.524 3.094 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)cc1 ZINC000036615839 569207072 /nfs/dbraw/zinc/20/70/72/569207072.db2.gz MESXJIFERCPFPC-UHFFFAOYSA-N 1 2 419.529 3.121 50 0 HGAALO Cc1cc2c(cc1C(=O)Nc1ccc(OCC[NH+]3CCOCC3)cc1)OCCCO2 ZINC000065315036 569223320 /nfs/dbraw/zinc/22/33/20/569223320.db2.gz MWSUIPYFIBTYKX-UHFFFAOYSA-N 1 2 412.486 3.120 50 0 HGAALO O=C(C[NH+]1CCN(c2cc(F)cc(F)c2)CC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000065492697 569232340 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/nfs/dbraw/zinc/23/58/03/524235803.db2.gz RNHSMLJTUCPDLL-OAHLLOKOSA-N 1 2 411.531 3.497 50 0 HGAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)n2)C1 ZINC000032869028 524235810 /nfs/dbraw/zinc/23/58/10/524235810.db2.gz RNHSMLJTUCPDLL-OAHLLOKOSA-N 1 2 411.531 3.497 50 0 HGAALO Cc1cccc(Cc2cnc(NC(=O)CSc3[nH+]cnc4c3cnn4C)s2)c1 ZINC000032778377 524472040 /nfs/dbraw/zinc/47/20/40/524472040.db2.gz JMEBDSPPXVKROH-UHFFFAOYSA-N 1 2 410.528 3.450 50 0 HGAALO COc1ccccc1N1CC[NH+]([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000000986370 524561364 /nfs/dbraw/zinc/56/13/64/524561364.db2.gz CFWHHNYGFMHBIP-NRFANRHFSA-N 1 2 407.514 3.273 50 0 HGAALO COc1ccc(OC)c(CN2CC[NH+](CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)c1 ZINC000032751459 524828884 /nfs/dbraw/zinc/82/88/84/524828884.db2.gz MKECULLHYWIRFG-DENIHFKCSA-N 1 2 415.578 3.003 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)c1 ZINC000032751459 524828897 /nfs/dbraw/zinc/82/88/97/524828897.db2.gz MKECULLHYWIRFG-DENIHFKCSA-N 1 2 415.578 3.003 50 0 HGAALO Cc1cc(N2CCN(CC(=O)N(C)[C@H](C)c3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000029632536 525077239 /nfs/dbraw/zinc/07/72/39/525077239.db2.gz FCJZYWZBZCGPNP-GOSISDBHSA-N 1 2 413.541 3.389 50 0 HGAALO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000032924278 525938942 /nfs/dbraw/zinc/93/89/42/525938942.db2.gz JBGUISCNWJHTKM-LBPRGKRZSA-N 1 2 406.255 3.362 50 0 HGAALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000032826791 526451826 /nfs/dbraw/zinc/45/18/26/526451826.db2.gz GMHBXEJXPGRZTL-UHFFFAOYSA-N 1 2 410.275 3.255 50 0 HGAALO O=C(CCc1nnc(-c2ccsc2)o1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000030699634 526662195 /nfs/dbraw/zinc/66/21/95/526662195.db2.gz UYKPVIWZTURWFZ-UHFFFAOYSA-N 1 2 400.479 3.214 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1cc(Cl)ccc1F ZINC000022806548 526774505 /nfs/dbraw/zinc/77/45/05/526774505.db2.gz PLXURRAMRIXCMK-UHFFFAOYSA-N 1 2 403.885 3.170 50 0 HGAALO O=S(=O)(NCC1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)s1 ZINC000043955352 527213799 /nfs/dbraw/zinc/21/37/99/527213799.db2.gz YCHZOEAGXNUVGA-UHFFFAOYSA-N 1 2 416.366 3.101 50 0 HGAALO O=C(Nc1ccccc1)C1CC[NH+](CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000032764859 527390516 /nfs/dbraw/zinc/39/05/16/527390516.db2.gz HAUULILESJDINK-UHFFFAOYSA-N 1 2 406.935 3.464 50 0 HGAALO CCOC(=O)C1CC[NH+]([C@H](c2cccc(C)c2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000022626252 557081337 /nfs/dbraw/zinc/08/13/37/557081337.db2.gz XONRSEMPUHXCAA-QGZVFWFLSA-N 1 2 414.531 3.478 50 0 HGAALO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000034676537 557363900 /nfs/dbraw/zinc/36/39/00/557363900.db2.gz MUMPKUDEGBOPOM-IBGZPJMESA-N 1 2 417.550 3.109 50 0 HGAALO COc1cc(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)cc1C ZINC000011027274 558262109 /nfs/dbraw/zinc/26/21/09/558262109.db2.gz ZLRXCIWYYPHBLX-OAHLLOKOSA-N 1 2 401.488 3.237 50 0 HGAALO CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000019794780 558283949 /nfs/dbraw/zinc/28/39/49/558283949.db2.gz JXLYUYQBIAFARQ-NKFKGCMQSA-N 1 2 421.541 3.029 50 0 HGAALO CCCCc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)[nH]1 ZINC000011936746 558300782 /nfs/dbraw/zinc/30/07/82/558300782.db2.gz ZEYWKYKRXYZCOH-KRWDZBQOSA-N 1 2 414.550 3.412 50 0 HGAALO CCCCc1ncc(C[N@H+]2CCC[C@@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)[nH]1 ZINC000011936746 558300786 /nfs/dbraw/zinc/30/07/86/558300786.db2.gz ZEYWKYKRXYZCOH-KRWDZBQOSA-N 1 2 414.550 3.412 50 0 HGAALO Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000019897790 558304190 /nfs/dbraw/zinc/30/41/90/558304190.db2.gz HSYKLCUASSQWHL-JOCHJYFZSA-N 1 2 418.493 3.369 50 0 HGAALO CCOc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020058777 558329014 /nfs/dbraw/zinc/32/90/14/558329014.db2.gz UEVLJDHWJSVFAZ-UHFFFAOYSA-N 1 2 422.481 3.238 50 0 HGAALO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020058777 558329017 /nfs/dbraw/zinc/32/90/17/558329017.db2.gz UEVLJDHWJSVFAZ-UHFFFAOYSA-N 1 2 422.481 3.238 50 0 HGAALO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000020109777 558335008 /nfs/dbraw/zinc/33/50/08/558335008.db2.gz JFVIDPUOHSJYAT-FQEVSTJZSA-N 1 2 402.922 3.413 50 0 HGAALO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(F)c(OC)c2)C[C@@H]1CCO ZINC000020212132 558347967 /nfs/dbraw/zinc/34/79/67/558347967.db2.gz ZKJBHULOYRHTNN-FQEVSTJZSA-N 1 2 402.510 3.302 50 0 HGAALO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(F)c(OC)c2)C[C@@H]1CCO ZINC000020212132 558347969 /nfs/dbraw/zinc/34/79/69/558347969.db2.gz ZKJBHULOYRHTNN-FQEVSTJZSA-N 1 2 402.510 3.302 50 0 HGAALO O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccs2)N1CCC[NH+]1CCOCC1 ZINC000020308059 558354468 /nfs/dbraw/zinc/35/44/68/558354468.db2.gz ZLOYSAQLVOZAJG-IBGZPJMESA-N 1 2 410.495 3.122 50 0 HGAALO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[N@@H+]1CCC[C@H](O)C1 ZINC000012218137 558354526 /nfs/dbraw/zinc/35/45/26/558354526.db2.gz DBRDHNFCMWVUKZ-INIZCTEOSA-N 1 2 412.515 3.129 50 0 HGAALO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[N@H+]1CCC[C@H](O)C1 ZINC000012218137 558354529 /nfs/dbraw/zinc/35/45/29/558354529.db2.gz DBRDHNFCMWVUKZ-INIZCTEOSA-N 1 2 412.515 3.129 50 0 HGAALO Cc1ccc2c(C[NH+]3CCN(CC(=O)Nc4cccc(C)c4C)CC3)cc(=O)oc2c1 ZINC000020407860 558360667 /nfs/dbraw/zinc/36/06/67/558360667.db2.gz ZSACAWDLJZKALQ-UHFFFAOYSA-N 1 2 419.525 3.475 50 0 HGAALO COc1cc(C[N@@H+]2CCN(Cc3cc(F)ccc3F)C[C@@H]2CCO)cc(OC)c1 ZINC000020451293 558365680 /nfs/dbraw/zinc/36/56/80/558365680.db2.gz JOLXTLBZSPFKPQ-IBGZPJMESA-N 1 2 406.473 3.051 50 0 HGAALO COc1cc(C[N@H+]2CCN(Cc3cc(F)ccc3F)C[C@@H]2CCO)cc(OC)c1 ZINC000020451293 558365681 /nfs/dbraw/zinc/36/56/81/558365681.db2.gz JOLXTLBZSPFKPQ-IBGZPJMESA-N 1 2 406.473 3.051 50 0 HGAALO C[N@H+](CCc1ccccc1)Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F ZINC000020777471 558412096 /nfs/dbraw/zinc/41/20/96/558412096.db2.gz SAGQTEWGJABDOG-UHFFFAOYSA-N 1 2 401.507 3.149 50 0 HGAALO C[N@@H+](CCc1ccccc1)Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F ZINC000020777471 558412099 /nfs/dbraw/zinc/41/20/99/558412099.db2.gz SAGQTEWGJABDOG-UHFFFAOYSA-N 1 2 401.507 3.149 50 0 HGAALO CCOC(=O)C1CC[NH+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000020808666 558416515 /nfs/dbraw/zinc/41/65/15/558416515.db2.gz CTMZDFGELUKHRG-UHFFFAOYSA-N 1 2 404.894 3.491 50 0 HGAALO CCn1ccnc1C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2OC)CC1 ZINC000020918204 558423134 /nfs/dbraw/zinc/42/31/34/558423134.db2.gz LSDBHIAHPHLPKA-UHFFFAOYSA-N 1 2 408.506 3.198 50 0 HGAALO COc1cc(OC)cc([C@H](NS(=O)(=O)c2ccc(C)cc2C)c2[nH+]ccn2C)c1 ZINC000010747813 558436314 /nfs/dbraw/zinc/43/63/14/558436314.db2.gz TZCQEIFLMJUBPN-FQEVSTJZSA-N 1 2 415.515 3.122 50 0 HGAALO COc1cc(OC)cc([C@H](NC(=O)CCc2nc3ccccc3o2)c2[nH+]ccn2C)c1 ZINC000012628835 558441157 /nfs/dbraw/zinc/44/11/57/558441157.db2.gz DKPXHHUSVUSNAN-QFIPXVFZSA-N 1 2 420.469 3.417 50 0 HGAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccc(Cl)cc1 ZINC000021600958 558443080 /nfs/dbraw/zinc/44/30/80/558443080.db2.gz VWGDDWVTXWKZNX-HXUWFJFHSA-N 1 2 422.872 3.246 50 0 HGAALO O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021786169 558448603 /nfs/dbraw/zinc/44/86/03/558448603.db2.gz OMOYPQSOWVBIPE-UHFFFAOYSA-N 1 2 405.454 3.071 50 0 HGAALO C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022039671 558459607 /nfs/dbraw/zinc/45/96/07/558459607.db2.gz KOYUNFXSWDKDDZ-PGRDOPGGSA-N 1 2 421.541 3.115 50 0 HGAALO C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022039671 558459609 /nfs/dbraw/zinc/45/96/09/558459609.db2.gz KOYUNFXSWDKDDZ-PGRDOPGGSA-N 1 2 421.541 3.115 50 0 HGAALO O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000022242580 558471848 /nfs/dbraw/zinc/47/18/48/558471848.db2.gz HBEFQHWJTDPXAJ-DEOSSOPVSA-N 1 2 403.526 3.306 50 0 HGAALO CC(=O)N1CCc2cc(NC(=O)C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)ccc21 ZINC000012920152 558485091 /nfs/dbraw/zinc/48/50/91/558485091.db2.gz LXHXCVMZBCFGCB-LJQANCHMSA-N 1 2 413.543 3.277 50 0 HGAALO CC(=O)N1CCc2cc(NC(=O)C[N@H+](Cc3cccs3)C[C@H]3CCCO3)ccc21 ZINC000012920152 558485094 /nfs/dbraw/zinc/48/50/94/558485094.db2.gz LXHXCVMZBCFGCB-LJQANCHMSA-N 1 2 413.543 3.277 50 0 HGAALO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000013057180 558508935 /nfs/dbraw/zinc/50/89/35/558508935.db2.gz HRHJJMMCAAUVBS-HUUCEWRRSA-N 1 2 413.971 3.041 50 0 HGAALO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1F ZINC000022772781 558509130 /nfs/dbraw/zinc/50/91/30/558509130.db2.gz ZMQQXEHAYFONJG-DLBZAZTESA-N 1 2 417.500 3.357 50 0 HGAALO CC(C)c1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 ZINC000022915564 558521458 /nfs/dbraw/zinc/52/14/58/558521458.db2.gz MJOASNAIZXLQFX-HXUWFJFHSA-N 1 2 414.594 3.157 50 0 HGAALO O=C([C@@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)N1CCCC1 ZINC000022926620 558523520 /nfs/dbraw/zinc/52/35/20/558523520.db2.gz TXLIGEFQEOTVOI-XMMPIXPASA-N 1 2 405.542 3.103 50 0 HGAALO O=C([C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1)N1CCCC1 ZINC000022926620 558523523 /nfs/dbraw/zinc/52/35/23/558523523.db2.gz TXLIGEFQEOTVOI-XMMPIXPASA-N 1 2 405.542 3.103 50 0 HGAALO Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCc4cc5c(cc4[C@H]3C)OCCCO5)C2=O)cc1 ZINC000013576874 558543888 /nfs/dbraw/zinc/54/38/88/558543888.db2.gz JLYOQKZEHUMFGU-OXQOHEQNSA-N 1 2 406.482 3.408 50 0 HGAALO Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCc4cc5c(cc4[C@H]3C)OCCCO5)C2=O)cc1 ZINC000013576874 558543891 /nfs/dbraw/zinc/54/38/91/558543891.db2.gz JLYOQKZEHUMFGU-OXQOHEQNSA-N 1 2 406.482 3.408 50 0 HGAALO COCCN1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000023359990 558551763 /nfs/dbraw/zinc/55/17/63/558551763.db2.gz LIIFFKZAVKUPSJ-UHFFFAOYSA-N 1 2 420.513 3.032 50 0 HGAALO CCn1c(S[C@@H](C)C(=O)N2CC[NH+](CC)CC2)nnc1-c1cccc(Cl)c1 ZINC000023508418 558560412 /nfs/dbraw/zinc/56/04/12/558560412.db2.gz KBRQPWJXKYSZCX-AWEZNQCLSA-N 1 2 407.971 3.263 50 0 HGAALO O=C([C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735706 558572072 /nfs/dbraw/zinc/57/20/72/558572072.db2.gz ANFZLVWAVUKPMD-HNNXBMFYSA-N 1 2 403.935 3.099 50 0 HGAALO O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023737013 558572296 /nfs/dbraw/zinc/57/22/96/558572296.db2.gz IRQKAXMEWUDZIQ-UHFFFAOYSA-N 1 2 417.538 3.499 50 0 HGAALO CC(C)(C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000023763358 558575259 /nfs/dbraw/zinc/57/52/59/558575259.db2.gz BMAFRDSPPBIBGO-NRFANRHFSA-N 1 2 402.560 3.024 50 0 HGAALO O=C(CCc1nc(-c2ccsc2)no1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023873233 558579149 /nfs/dbraw/zinc/57/91/49/558579149.db2.gz BVFSNJVAXNBJQD-UHFFFAOYSA-N 1 2 424.526 3.010 50 0 HGAALO COc1ccc([C@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)c2ccccc2)cc1 ZINC000023873285 558579190 /nfs/dbraw/zinc/57/91/90/558579190.db2.gz JPYWZDCCVAYEHZ-RUZDIDTESA-N 1 2 416.525 3.118 50 0 HGAALO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023956390 558582513 /nfs/dbraw/zinc/58/25/13/558582513.db2.gz GYOLVAIBJZHSEB-DEOSSOPVSA-N 1 2 419.525 3.099 50 0 HGAALO CC(=O)Nc1cccc(NC(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000024167018 558590730 /nfs/dbraw/zinc/59/07/30/558590730.db2.gz JOGUUCFBTZCNDC-UHFFFAOYSA-N 1 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ZINC000029647916 558718152 /nfs/dbraw/zinc/71/81/52/558718152.db2.gz GXMHIDIFCXVJJC-CQSZACIVSA-N 1 2 403.895 3.113 50 0 HGAALO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000029932894 558724389 /nfs/dbraw/zinc/72/43/89/558724389.db2.gz UWRZKCFPNGICKC-OAQYLSRUSA-N 1 2 424.570 3.283 50 0 HGAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1C(=O)c1cccs1 ZINC000030311042 558728647 /nfs/dbraw/zinc/72/86/47/558728647.db2.gz BUGPKVZXOGHVQF-UHFFFAOYSA-N 1 2 407.495 3.141 50 0 HGAALO COc1cccc(NC(=O)COc2coc(C[N@@H+]3CCc4ccccc4C3)cc2=O)c1 ZINC000004583874 558774279 /nfs/dbraw/zinc/77/42/79/558774279.db2.gz XRPWCYMOZPGNQQ-UHFFFAOYSA-N 1 2 420.465 3.224 50 0 HGAALO COc1cccc(NC(=O)COc2coc(C[N@H+]3CCc4ccccc4C3)cc2=O)c1 ZINC000004583874 558774282 /nfs/dbraw/zinc/77/42/82/558774282.db2.gz XRPWCYMOZPGNQQ-UHFFFAOYSA-N 1 2 420.465 3.224 50 0 HGAALO O=C(NCCc1c[nH+]c[nH]1)c1ccc2c(c1)NC(=O)C(=Cc1ccc(Cl)cc1)O2 ZINC000032983511 558804603 /nfs/dbraw/zinc/80/46/03/558804603.db2.gz 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O=C1C[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000018277072 558835312 /nfs/dbraw/zinc/83/53/12/558835312.db2.gz BJSHDMJDRPNHIB-GOSISDBHSA-N 1 2 404.297 3.448 50 0 HGAALO c1[nH]c2c([nH+]1)CCN(Cc1c[nH]nc1-c1ccc3c(c1)OCO3)[C@@H]2c1ccccn1 ZINC000019148546 558847097 /nfs/dbraw/zinc/84/70/97/558847097.db2.gz TYDCNAGHLDHYCD-JOCHJYFZSA-N 1 2 400.442 3.071 50 0 HGAALO COc1ccc(OC)c(CNC(=O)C2CCN(c3[nH+]cccc3-n3cccc3)CC2)c1 ZINC000033034634 558858701 /nfs/dbraw/zinc/85/87/01/558858701.db2.gz RDLMIMVTUBEBBB-UHFFFAOYSA-N 1 2 420.513 3.422 50 0 HGAALO O=C1C[C@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000019313426 558866959 /nfs/dbraw/zinc/86/69/59/558866959.db2.gz GJMDSDQHUSUMSZ-SFHVURJKSA-N 1 2 404.297 3.448 50 0 HGAALO CSc1ncc(C[NH+]2CCC(Oc3cccc(C(=O)N4CCCC4)c3)CC2)cn1 ZINC000055099422 558872414 /nfs/dbraw/zinc/87/24/14/558872414.db2.gz XIERGLXXMFCMCC-UHFFFAOYSA-N 1 2 412.559 3.478 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 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ODFBAESRUAFQNJ-UHFFFAOYSA-N 1 2 412.559 3.282 50 0 HGAALO O=C(C1CC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000095515184 559084418 /nfs/dbraw/zinc/08/44/18/559084418.db2.gz SGUYOLQCQZYQGG-UHFFFAOYSA-N 1 2 402.901 3.488 50 0 HGAALO O=C(C1CC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(Cl)cc1F)CC2 ZINC000095516703 559084587 /nfs/dbraw/zinc/08/45/87/559084587.db2.gz QBWXIDSCHLCXRF-UHFFFAOYSA-N 1 2 402.901 3.488 50 0 HGAALO O=C1C[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000100196274 559131689 /nfs/dbraw/zinc/13/16/89/559131689.db2.gz VKSBAZAEWUHMLS-ZMTJCJBESA-N 1 2 423.944 3.299 50 0 HGAALO O[C@H](COc1ccccc1)C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000014202081 559156735 /nfs/dbraw/zinc/15/67/35/559156735.db2.gz QBTSBPNCTALIGG-HNNXBMFYSA-N 1 2 415.843 3.316 50 0 HGAALO CCc1ccc(NC(=O)CN2CCN(c3[nH+]ccn3-c3ccccc3F)CC2)cc1 ZINC000011695771 559188968 /nfs/dbraw/zinc/18/89/68/559188968.db2.gz KKFIRJKWEGBJRV-UHFFFAOYSA-N 1 2 407.493 3.335 50 0 HGAALO CC[N@H+](CCCNC(=O)Cn1ncc2c1c1ccccc1oc2=O)c1cccc(C)c1 ZINC000004919234 559204708 /nfs/dbraw/zinc/20/47/08/559204708.db2.gz YVASLADBIPVROB-UHFFFAOYSA-N 1 2 418.497 3.484 50 0 aggregator HGAALO CC[N@@H+](CCCNC(=O)Cn1ncc2c1c1ccccc1oc2=O)c1cccc(C)c1 ZINC000004919234 559204710 /nfs/dbraw/zinc/20/47/10/559204710.db2.gz YVASLADBIPVROB-UHFFFAOYSA-N 1 2 418.497 3.484 50 0 aggregator HGAALO Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)s2)c1C ZINC000037008943 559239383 /nfs/dbraw/zinc/23/93/83/559239383.db2.gz ANRWVJJQCYZVPQ-UHFFFAOYSA-N 1 2 408.593 3.394 50 0 HGAALO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000248140555 559265272 /nfs/dbraw/zinc/26/52/72/559265272.db2.gz PPKBCXDRJPIAHD-WCIQWLHISA-N 1 2 424.884 3.184 50 0 HGAALO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000248140555 559265273 /nfs/dbraw/zinc/26/52/73/559265273.db2.gz PPKBCXDRJPIAHD-WCIQWLHISA-N 1 2 424.884 3.184 50 0 HGAALO CC(C)c1c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000079103382 560541321 /nfs/dbraw/zinc/54/13/21/560541321.db2.gz CMZLKLWBPYKJAZ-GOSISDBHSA-N 1 2 402.926 3.196 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000005307849 560563695 /nfs/dbraw/zinc/56/36/95/560563695.db2.gz TVDYMEYMPBZKCE-HCXYKTFWSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000005307849 560563697 /nfs/dbraw/zinc/56/36/97/560563697.db2.gz TVDYMEYMPBZKCE-HCXYKTFWSA-N 1 2 412.848 3.314 50 0 HGAALO C[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000018271668 560785873 /nfs/dbraw/zinc/78/58/73/560785873.db2.gz SFVNBHSZIOICHI-YHLJFGAHSA-N 1 2 424.589 3.232 50 0 HGAALO C[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000018271672 560785908 /nfs/dbraw/zinc/78/59/08/560785908.db2.gz SFVNBHSZIOICHI-VEDPWSRISA-N 1 2 424.589 3.232 50 0 HGAALO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(OC)c1 ZINC000103437201 560842354 /nfs/dbraw/zinc/84/23/54/560842354.db2.gz XVRDAHOIFCIAKM-VPKVUBIPSA-N 1 2 401.507 3.299 50 0 HGAALO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(OC)c1 ZINC000103437201 560842355 /nfs/dbraw/zinc/84/23/55/560842355.db2.gz XVRDAHOIFCIAKM-VPKVUBIPSA-N 1 2 401.507 3.299 50 0 HGAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1SC[C@@H]1CCCO1 ZINC000012225028 560894097 /nfs/dbraw/zinc/89/40/97/560894097.db2.gz OTBPSZNWJIQFPV-SFHVURJKSA-N 1 2 413.543 3.119 50 0 HGAALO Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907491 568416110 /nfs/dbraw/zinc/41/61/10/568416110.db2.gz CAIRARGITDKZJT-NRFANRHFSA-N 1 2 403.482 3.442 50 0 HGAALO Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907491 568416111 /nfs/dbraw/zinc/41/61/11/568416111.db2.gz CAIRARGITDKZJT-NRFANRHFSA-N 1 2 403.482 3.442 50 0 HGAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000048249162 568433352 /nfs/dbraw/zinc/43/33/52/568433352.db2.gz OIKVDSIFXSZFQY-UHFFFAOYSA-N 1 2 410.543 3.226 50 0 HGAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc(Cn2ccccc2=O)o1 ZINC000048249328 568433365 /nfs/dbraw/zinc/43/33/65/568433365.db2.gz OVRPOTHZLWTJOL-UHFFFAOYSA-N 1 2 406.486 3.195 50 0 HGAALO CC(C)COc1ccc(NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1Cl ZINC000048373840 568442211 /nfs/dbraw/zinc/44/22/11/568442211.db2.gz JYWJVJWURZXHBW-UHFFFAOYSA-N 1 2 422.957 3.147 50 0 HGAALO Cc1cc(C)nc(Nc2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cs2)n1 ZINC000049032306 568445877 /nfs/dbraw/zinc/44/58/77/568445877.db2.gz DPQAREKDIGFAHL-UHFFFAOYSA-N 1 2 400.552 3.384 50 0 HGAALO Cc1ccc2c(c1)C[N@@H+](CC(=O)NCc1cnn(Cc3ccccc3)c1)C[C@@H](C)O2 ZINC000014952069 568470762 /nfs/dbraw/zinc/47/07/62/568470762.db2.gz ICIADFNHUOSASX-LJQANCHMSA-N 1 2 404.514 3.139 50 0 HGAALO Cc1ccc2c(c1)C[N@H+](CC(=O)NCc1cnn(Cc3ccccc3)c1)C[C@@H](C)O2 ZINC000014952069 568470764 /nfs/dbraw/zinc/47/07/64/568470764.db2.gz ICIADFNHUOSASX-LJQANCHMSA-N 1 2 404.514 3.139 50 0 HGAALO COc1cc(C[N@@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020271165 568596425 /nfs/dbraw/zinc/59/64/25/568596425.db2.gz YAFLTSYZQRLUQS-SFHVURJKSA-N 1 2 420.937 3.132 50 0 HGAALO COc1cc(C[N@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020271165 568596428 /nfs/dbraw/zinc/59/64/28/568596428.db2.gz YAFLTSYZQRLUQS-SFHVURJKSA-N 1 2 420.937 3.132 50 0 HGAALO COc1cc(CN2CC[N@H+](Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020271165 568596431 /nfs/dbraw/zinc/59/64/31/568596431.db2.gz YAFLTSYZQRLUQS-SFHVURJKSA-N 1 2 420.937 3.132 50 0 HGAALO COc1cc(CN2CC[N@@H+](Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020271165 568596433 /nfs/dbraw/zinc/59/64/33/568596433.db2.gz YAFLTSYZQRLUQS-SFHVURJKSA-N 1 2 420.937 3.132 50 0 HGAALO O=C1NC(=O)C2(CC[NH+](Cc3sc(Sc4ccccc4)nc3Cl)CC2)N1 ZINC000095468607 568625394 /nfs/dbraw/zinc/62/53/94/568625394.db2.gz PFEZEFQBHUCNFF-UHFFFAOYSA-N 1 2 408.936 3.122 50 0 HGAALO CC(C)C(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020614613 568637861 /nfs/dbraw/zinc/63/78/61/568637861.db2.gz KHVLJDCPYHLLKW-HXUWFJFHSA-N 1 2 413.493 3.190 50 0 HGAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2[nH]c1=S ZINC000020645351 568638985 /nfs/dbraw/zinc/63/89/85/568638985.db2.gz QTEVQTLGDJPJJS-YJBOKZPZSA-N 1 2 416.591 3.336 50 0 HGAALO O=C(NC1CCCCCCC1)[C@@H]1c2ccccc2C(=O)N1CCC[NH+]1CCOCC1 ZINC000020685068 568640306 /nfs/dbraw/zinc/64/03/06/568640306.db2.gz PFJDBYHLCVOZBC-QFIPXVFZSA-N 1 2 413.562 3.135 50 0 HGAALO CCn1ccnc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 ZINC000096000181 568680911 /nfs/dbraw/zinc/68/09/11/568680911.db2.gz JJDNGSOROCDULA-KRWDZBQOSA-N 1 2 408.506 3.267 50 0 HGAALO CCn1ccnc1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 ZINC000096000181 568680912 /nfs/dbraw/zinc/68/09/12/568680912.db2.gz JJDNGSOROCDULA-KRWDZBQOSA-N 1 2 408.506 3.267 50 0 HGAALO O=C(NCc1[nH+]ccn1CCCc1ccccc1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000225854268 568681087 /nfs/dbraw/zinc/68/10/87/568681087.db2.gz YQDNLDUHGUJEMB-UHFFFAOYSA-N 1 2 408.477 3.068 50 0 HGAALO O=C(NCC(F)(F)F)C1CCN(c2cc(-n3ccc4ccccc43)nc[nH+]2)CC1 ZINC000096124046 568700564 /nfs/dbraw/zinc/70/05/64/568700564.db2.gz URHHHLMULJETHV-UHFFFAOYSA-N 1 2 403.408 3.315 50 0 HGAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000096319762 568728275 /nfs/dbraw/zinc/72/82/75/568728275.db2.gz UIEQFCDLBXEJNW-UHFFFAOYSA-N 1 2 417.488 3.407 50 0 HGAALO CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)N2NC(c3ccc(Cl)cc3)=NC2=[NH+]1 ZINC000000940658 568753072 /nfs/dbraw/zinc/75/30/72/568753072.db2.gz YIJNLXJAFACITG-INIZCTEOSA-N 1 2 400.269 3.430 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@@H](c1cccc(Cl)c1)N1CC[NH+](CC)CC1)S2 ZINC000022578010 568770235 /nfs/dbraw/zinc/77/02/35/568770235.db2.gz HFVFERNNPALZEV-MRXNPFEDSA-N 1 2 405.955 3.439 50 0 HGAALO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000025528085 568773889 /nfs/dbraw/zinc/77/38/89/568773889.db2.gz RVKXPAGIGXXXRJ-KRWDZBQOSA-N 1 2 418.497 3.108 50 0 HGAALO CCOc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000055649803 568781329 /nfs/dbraw/zinc/78/13/29/568781329.db2.gz ADKJCTHVQQGXSA-UHFFFAOYSA-N 1 2 410.486 3.306 50 0 HGAALO CC[N@H+](CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1cccc(C)c1 ZINC000002943428 568819614 /nfs/dbraw/zinc/81/96/14/568819614.db2.gz NDSVPECZZMXFSE-UHFFFAOYSA-N 1 2 404.514 3.252 50 0 HGAALO CC[N@@H+](CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1cccc(C)c1 ZINC000002943428 568819616 /nfs/dbraw/zinc/81/96/16/568819616.db2.gz NDSVPECZZMXFSE-UHFFFAOYSA-N 1 2 404.514 3.252 50 0 HGAALO COc1ccccc1N1CC[NH+](CC(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000057054245 568823685 /nfs/dbraw/zinc/82/36/85/568823685.db2.gz YSOZHKPCVSYZOI-UHFFFAOYSA-N 1 2 418.541 3.192 50 0 HGAALO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1CCN(c2ccccc2F)CC1)CC3 ZINC000057058779 568824015 /nfs/dbraw/zinc/82/40/15/568824015.db2.gz XTBXCJZHZCZVBU-UHFFFAOYSA-N 1 2 406.505 3.322 50 0 HGAALO C[C@H]1CCCC[C@@H]1OCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000057343444 568827342 /nfs/dbraw/zinc/82/73/42/568827342.db2.gz WWFZWNBNYAGYJA-BBRMVZONSA-N 1 2 409.328 3.491 50 0 HGAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012463881 568837858 /nfs/dbraw/zinc/83/78/58/568837858.db2.gz MXRFLINRVFOITB-LJQANCHMSA-N 1 2 419.447 3.021 50 0 HGAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012463881 568837860 /nfs/dbraw/zinc/83/78/60/568837860.db2.gz MXRFLINRVFOITB-LJQANCHMSA-N 1 2 419.447 3.021 50 0 HGAALO CCOC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478415 568839719 /nfs/dbraw/zinc/83/97/19/568839719.db2.gz PJVXVGUVNVVDEN-QHCPKHFHSA-N 1 2 419.525 3.478 50 0 HGAALO CCOC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478415 568839720 /nfs/dbraw/zinc/83/97/20/568839720.db2.gz PJVXVGUVNVVDEN-QHCPKHFHSA-N 1 2 419.525 3.478 50 0 HGAALO CCCCc1[nH+]c2ccccc2n1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012520503 568841306 /nfs/dbraw/zinc/84/13/06/568841306.db2.gz IAVLSSFXKUCKEC-UHFFFAOYSA-N 1 2 413.543 3.448 50 0 HGAALO C[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012544722 568849484 /nfs/dbraw/zinc/84/94/84/568849484.db2.gz CKBUYNOZRUTMSB-MRXNPFEDSA-N 1 2 401.470 3.309 50 0 HGAALO Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000012547163 568850867 /nfs/dbraw/zinc/85/08/67/568850867.db2.gz HNNUIWXNNNXJBM-UHFFFAOYSA-N 1 2 403.490 3.389 50 0 HGAALO Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)o2)c1 ZINC000003057955 568851905 /nfs/dbraw/zinc/85/19/05/568851905.db2.gz UOKROBANECDKOL-SFHVURJKSA-N 1 2 418.559 3.307 50 0 HGAALO Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)o2)c1 ZINC000003057955 568851907 /nfs/dbraw/zinc/85/19/07/568851907.db2.gz UOKROBANECDKOL-SFHVURJKSA-N 1 2 418.559 3.307 50 0 HGAALO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057752753 568859823 /nfs/dbraw/zinc/85/98/23/568859823.db2.gz SJZGEQUEGNTFMX-HNNXBMFYSA-N 1 2 409.456 3.205 50 0 HGAALO COc1ccc(/C=C/C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1OC ZINC000030536318 568870018 /nfs/dbraw/zinc/87/00/18/568870018.db2.gz IZANPCWTLXGLLB-AKERNLMBSA-N 1 2 410.514 3.215 50 0 HGAALO O=C(COc1cccc(Br)c1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000030538960 568870300 /nfs/dbraw/zinc/87/03/00/568870300.db2.gz MBRBGULNAAUWBW-IBGZPJMESA-N 1 2 419.319 3.018 50 0 HGAALO Cc1cccn2cc(CN3CCN(C(=O)CCCc4ccccc4)CCC3=O)[nH+]c12 ZINC000299770475 568874186 /nfs/dbraw/zinc/87/41/86/568874186.db2.gz SRGCGEIYEMTNJP-UHFFFAOYSA-N 1 2 404.514 3.227 50 0 HGAALO CC[C@H](c1nnc(S[C@@H](C)C(=O)N2CCCC2)n1Cc1ccccc1)[NH+](C)C ZINC000004494506 568917879 /nfs/dbraw/zinc/91/78/79/568917879.db2.gz OXQFZWUCANOXEM-FUHWJXTLSA-N 1 2 401.580 3.442 50 0 HGAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)NCCc1ccc(F)cc1 ZINC000007976568 568963088 /nfs/dbraw/zinc/96/30/88/568963088.db2.gz FVSFVUQLAWPABD-UHFFFAOYSA-N 1 2 409.299 3.388 50 0 HGAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)NCCc1ccc(F)cc1 ZINC000007976568 568963090 /nfs/dbraw/zinc/96/30/90/568963090.db2.gz FVSFVUQLAWPABD-UHFFFAOYSA-N 1 2 409.299 3.388 50 0 HGAALO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1F ZINC000007978294 568963177 /nfs/dbraw/zinc/96/31/77/568963177.db2.gz ALGIRWCEHCXFSY-MRXNPFEDSA-N 1 2 401.482 3.060 50 0 HGAALO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1F ZINC000007978294 568963178 /nfs/dbraw/zinc/96/31/78/568963178.db2.gz ALGIRWCEHCXFSY-MRXNPFEDSA-N 1 2 401.482 3.060 50 0 HGAALO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1cc(Cl)ccc1F ZINC000012795397 568976090 /nfs/dbraw/zinc/97/60/90/568976090.db2.gz NPXXJJYHCMPECH-UHFFFAOYSA-N 1 2 405.857 3.474 50 0 HGAALO Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015727511 568978587 /nfs/dbraw/zinc/97/85/87/568978587.db2.gz IWBKCZDRWXZFIU-UHFFFAOYSA-N 1 2 419.529 3.480 50 0 HGAALO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 ZINC000012807547 568980319 /nfs/dbraw/zinc/98/03/19/568980319.db2.gz WULNJUJZQGHQPE-QGZVFWFLSA-N 1 2 408.498 3.230 50 0 HGAALO Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)CNC[NH+]2CCCCCC2)[C@H]3CCC1 ZINC000019328430 569030726 /nfs/dbraw/zinc/03/07/26/569030726.db2.gz KTBVROFFDADDER-RDPSFJRHSA-N 1 2 410.606 3.427 50 0 HGAALO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000035400032 569035375 /nfs/dbraw/zinc/03/53/75/569035375.db2.gz SEOZXGLIRHRDLO-QHCPKHFHSA-N 1 2 407.539 3.482 50 0 HGAALO Cc1cc(C)cc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)c1 ZINC000035430802 569036807 /nfs/dbraw/zinc/03/68/07/569036807.db2.gz MPKHIFQVKJKGFD-UHFFFAOYSA-N 1 2 424.932 3.307 50 0 biogenic HGAALO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609196 569042471 /nfs/dbraw/zinc/04/24/71/569042471.db2.gz VSRCVTIPHCBWBF-MRXNPFEDSA-N 1 2 403.470 3.377 50 0 HGAALO O=C(Nc1nc(C[NH+]2CCCC2)cs1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000012980646 569046401 /nfs/dbraw/zinc/04/64/01/569046401.db2.gz ZUGCPQNWUSIALJ-CYBMUJFWSA-N 1 2 404.923 3.384 50 0 HGAALO CC[C@@H](C(=O)Nc1ccccc1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000241720928 569054840 /nfs/dbraw/zinc/05/48/40/569054840.db2.gz QTKSBTXSEFWZJH-APWZRJJASA-N 1 2 408.502 3.099 50 0 HGAALO CC[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000241720928 569054841 /nfs/dbraw/zinc/05/48/41/569054841.db2.gz QTKSBTXSEFWZJH-APWZRJJASA-N 1 2 408.502 3.099 50 0 HGAALO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241784842 569054902 /nfs/dbraw/zinc/05/49/02/569054902.db2.gz RXDYZRXTYFRVEF-VXKWHMMOSA-N 1 2 422.525 3.301 50 0 HGAALO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241784842 569054903 /nfs/dbraw/zinc/05/49/03/569054903.db2.gz RXDYZRXTYFRVEF-VXKWHMMOSA-N 1 2 422.525 3.301 50 0 HGAALO CC(C)CC(=O)N(CC[NH+]1CCOCC1)Cc1nccn1Cc1cccc(Cl)c1 ZINC000035973208 569069630 /nfs/dbraw/zinc/06/96/30/569069630.db2.gz UCKHHXUBJRVPRO-UHFFFAOYSA-N 1 2 418.969 3.292 50 0 HGAALO CCc1ccc(CN2CCc3c(C(=O)NC[C@@H](C)n4cc[nH+]c4)csc3C2)nc1 ZINC000426580900 569073481 /nfs/dbraw/zinc/07/34/81/569073481.db2.gz BWMOGVQDWNYXJQ-MRXNPFEDSA-N 1 2 409.559 3.451 50 0 HGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCC3(O)CCCCC3)csc2C1 ZINC000426719989 569073992 /nfs/dbraw/zinc/07/39/92/569073992.db2.gz PXYKUVXLYVZYLG-UHFFFAOYSA-N 1 2 403.548 3.336 50 0 HGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC3(O)CCCCC3)csc2C1 ZINC000426719989 569073993 /nfs/dbraw/zinc/07/39/93/569073993.db2.gz PXYKUVXLYVZYLG-UHFFFAOYSA-N 1 2 403.548 3.336 50 0 HGAALO Cc1ccccc1C(=O)N1CC[NH+]([C@H](C(=O)NCc2ccccn2)C2CCCC2)CC1 ZINC000036253473 569120024 /nfs/dbraw/zinc/12/00/24/569120024.db2.gz FBILFIKBEYXRCU-QHCPKHFHSA-N 1 2 420.557 3.023 50 0 HGAALO CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036254336 569120057 /nfs/dbraw/zinc/12/00/57/569120057.db2.gz BEHPCCRJPDRKER-LAUBAEHRSA-N 1 2 403.542 3.305 50 0 HGAALO COc1cccc(C(=O)N2CC[NH+]([C@@H](C(=O)NCCC(C)C)C3CCCC3)CC2)c1 ZINC000036254592 569120145 /nfs/dbraw/zinc/12/01/45/569120145.db2.gz 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CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC(COC)CC3)C2)nc[nH+]1 ZINC000065242423 569204746 /nfs/dbraw/zinc/20/47/46/569204746.db2.gz TWRLKTDNVGSFAZ-SFHVURJKSA-N 1 2 403.571 3.180 50 0 HGAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC(COC)CC3)C2)[nH+]cn1 ZINC000065242423 569204748 /nfs/dbraw/zinc/20/47/48/569204748.db2.gz TWRLKTDNVGSFAZ-SFHVURJKSA-N 1 2 403.571 3.180 50 0 HGAALO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3cc(F)cc(F)c3)C2)nc[nH+]1 ZINC000065244986 569204911 /nfs/dbraw/zinc/20/49/11/569204911.db2.gz KNEYRFGPHIEPRS-OAHLLOKOSA-N 1 2 403.477 3.500 50 0 HGAALO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3cc(F)cc(F)c3)C2)[nH+]cn1 ZINC000065244986 569204913 /nfs/dbraw/zinc/20/49/13/569204913.db2.gz KNEYRFGPHIEPRS-OAHLLOKOSA-N 1 2 403.477 3.500 50 0 HGAALO COc1ccc(CNC(=O)CCC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000065274287 569215075 /nfs/dbraw/zinc/21/50/75/569215075.db2.gz QKHMAVILDIAEBS-UHFFFAOYSA-N 1 2 409.534 3.373 50 0 HGAALO COc1ccc(CNC(=O)CCC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)cc1 ZINC000065274287 569215077 /nfs/dbraw/zinc/21/50/77/569215077.db2.gz QKHMAVILDIAEBS-UHFFFAOYSA-N 1 2 409.534 3.373 50 0 HGAALO CC1CCN(c2[nH+]cnc3c2cnn3CC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000065295580 569218675 /nfs/dbraw/zinc/21/86/75/569218675.db2.gz BIHIXZRWVGOBGJ-UHFFFAOYSA-N 1 2 402.861 3.494 50 0 HGAALO COc1ccc(Cl)cc1NC(=O)Cn1ncc2c1nc[nH+]c2N1CCC(C)CC1 ZINC000065295576 569218832 /nfs/dbraw/zinc/21/88/32/569218832.db2.gz YNTDIHYRFXPIOJ-UHFFFAOYSA-N 1 2 414.897 3.363 50 0 HGAALO O=C(C[NH+]1CCN(c2cc(F)cc(F)c2)CC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000065492695 569232392 /nfs/dbraw/zinc/23/23/92/569232392.db2.gz VOYQLUMNQPIZCP-BBRMVZONSA-N 1 2 405.411 3.324 50 0 HGAALO O=S(=O)(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000054534092 569288932 /nfs/dbraw/zinc/28/89/32/569288932.db2.gz XAUDBRCRTUZQJL-UHFFFAOYSA-N 1 2 406.305 3.172 50 0 HGAALO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000252485392 569289195 /nfs/dbraw/zinc/28/91/95/569289195.db2.gz GTQZKPWJPWWAKP-UHFFFAOYSA-N 1 2 402.394 3.212 50 0 HGAALO O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000078624049 569414645 /nfs/dbraw/zinc/41/46/45/569414645.db2.gz NPFNCPNUVSYQSK-KRWDZBQOSA-N 1 2 403.269 3.493 50 0 HGAALO CC(C)c1c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000079103387 569427583 /nfs/dbraw/zinc/42/75/83/569427583.db2.gz CMZLKLWBPYKJAZ-SFHVURJKSA-N 1 2 402.926 3.196 50 0 HGAALO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000008490093 571056439 /nfs/dbraw/zinc/05/64/39/571056439.db2.gz SJJFKTGCZXCJHM-HNNXBMFYSA-N 1 2 413.971 3.328 50 0 HGAALO C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000008490093 571056441 /nfs/dbraw/zinc/05/64/41/571056441.db2.gz SJJFKTGCZXCJHM-HNNXBMFYSA-N 1 2 413.971 3.328 50 0 HGAALO COc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1cc(C)cc(C)c1)CC3 ZINC000067349927 571081527 /nfs/dbraw/zinc/08/15/27/571081527.db2.gz RIXXFTYPCSBFAY-UHFFFAOYSA-N 1 2 405.498 3.459 50 0 HGAALO COc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)CC3 ZINC000067349927 571081529 /nfs/dbraw/zinc/08/15/29/571081529.db2.gz RIXXFTYPCSBFAY-UHFFFAOYSA-N 1 2 405.498 3.459 50 0 HGAALO CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000040103333 571163998 /nfs/dbraw/zinc/16/39/98/571163998.db2.gz KGVKQVHTIAPWIQ-UHFFFAOYSA-N 1 2 406.958 3.237 50 0 HGAALO COc1ccc([C@H](CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)NC(C)=O)cc1 ZINC000040122076 571178056 /nfs/dbraw/zinc/17/80/56/571178056.db2.gz BMIROQDUQZCVPE-QFIPXVFZSA-N 1 2 424.545 3.354 50 0 HGAALO CC(C)n1ncc2cc(NC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cnc21 ZINC000069489746 571228536 /nfs/dbraw/zinc/22/85/36/571228536.db2.gz XEMRDKVAZVGCEA-HXUWFJFHSA-N 1 2 408.506 3.035 50 0 HGAALO CC(C)n1ncc2cc(NC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cnc21 ZINC000069489746 571228537 /nfs/dbraw/zinc/22/85/37/571228537.db2.gz XEMRDKVAZVGCEA-HXUWFJFHSA-N 1 2 408.506 3.035 50 0 HGAALO COc1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)no3)CC2)c(OC)c1OC ZINC000009726726 571282404 /nfs/dbraw/zinc/28/24/04/571282404.db2.gz BRZIQGDSOPBQOI-UHFFFAOYSA-N 1 2 410.474 3.085 50 0 HGAALO O=C(C[N@@H+]1CCc2sccc2C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000010341625 571301208 /nfs/dbraw/zinc/30/12/08/571301208.db2.gz MJRFWGWAOPURAP-UHFFFAOYSA-N 1 2 407.421 3.344 50 0 HGAALO O=C(C[N@H+]1CCc2sccc2C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000010341625 571301209 /nfs/dbraw/zinc/30/12/09/571301209.db2.gz MJRFWGWAOPURAP-UHFFFAOYSA-N 1 2 407.421 3.344 50 0 HGAALO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3F)CC2)cc1 ZINC000001143627 132238941 /nfs/dbraw/zinc/23/89/41/132238941.db2.gz GCUXWVKTGSGTRP-UHFFFAOYSA-N 1 2 404.449 3.290 50 0 HGAALO c1cn(-c2ccc(-c3ccnc4nc(N5CCN(c6ccccc6)CC5)nn43)cc2)c[nH+]1 ZINC000001384808 132245555 /nfs/dbraw/zinc/24/55/55/132245555.db2.gz TZOBMXJFXNRAKW-UHFFFAOYSA-N 1 2 422.496 3.304 50 0 HGAALO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000002373287 132253655 /nfs/dbraw/zinc/25/36/55/132253655.db2.gz UZJSXZMZDHBQQN-UHFFFAOYSA-N 1 2 416.485 3.159 50 0 HGAALO CC[N@@H+](Cc1nc(COc2ccc(OC)cc2)no1)C[C@H]1COc2ccccc2O1 ZINC000032868771 521452221 /nfs/dbraw/zinc/45/22/21/521452221.db2.gz UQXUYLSCIHIGHQ-SFHVURJKSA-N 1 2 411.458 3.319 50 0 HGAALO CC[N@H+](Cc1nc(COc2ccc(OC)cc2)no1)C[C@H]1COc2ccccc2O1 ZINC000032868771 521452230 /nfs/dbraw/zinc/45/22/30/521452230.db2.gz UQXUYLSCIHIGHQ-SFHVURJKSA-N 1 2 411.458 3.319 50 0 HGAALO COc1c2c(c(NC(=O)c3ccc(-n4cccc4)cc3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123806 521885069 /nfs/dbraw/zinc/88/50/69/521885069.db2.gz DLGZNBWNESHFDH-UHFFFAOYSA-N 1 2 405.454 3.455 50 0 biogenic HGAALO COc1c2c(c(NC(=O)c3ccc(-n4cccc4)cc3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123806 521885075 /nfs/dbraw/zinc/88/50/75/521885075.db2.gz DLGZNBWNESHFDH-UHFFFAOYSA-N 1 2 405.454 3.455 50 0 biogenic HGAALO COc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022805447 524223859 /nfs/dbraw/zinc/22/38/59/524223859.db2.gz YRUPBJGGLSMLIZ-UHFFFAOYSA-N 1 2 415.921 3.040 50 0 HGAALO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000032974927 525838769 /nfs/dbraw/zinc/83/87/69/525838769.db2.gz ATEIDQKJWIIOKF-UHFFFAOYSA-N 1 2 418.541 3.229 50 0 HGAALO C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022877722 526141816 /nfs/dbraw/zinc/14/18/16/526141816.db2.gz CAIUPXHXPQBOBL-CQSZACIVSA-N 1 2 419.884 3.353 50 0 HGAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(OCc2ccccn2)c1 ZINC000040104851 526771186 /nfs/dbraw/zinc/77/11/86/526771186.db2.gz QTCHOWWVHTXRFO-UHFFFAOYSA-N 1 2 419.485 3.214 50 0 HGAALO O=C(NC1CC1)c1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc2ccccc21 ZINC000032837504 527494534 /nfs/dbraw/zinc/49/45/34/527494534.db2.gz WNEHNUBZBLYUDR-HXUWFJFHSA-N 1 2 416.525 3.440 50 0 HGAALO O=C(NC1CC1)c1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc2ccccc21 ZINC000032837504 527494537 /nfs/dbraw/zinc/49/45/37/527494537.db2.gz WNEHNUBZBLYUDR-HXUWFJFHSA-N 1 2 416.525 3.440 50 0 HGAALO O=C(/C=C/c1ccc(Br)cc1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000032017668 527606666 /nfs/dbraw/zinc/60/66/66/527606666.db2.gz NNYLKTQHQYEXQG-VMPITWQZSA-N 1 2 402.292 3.010 50 0 HGAALO O=C(C1CCOCC1)N1CCCCC[C@H]1C1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000071890552 557316617 /nfs/dbraw/zinc/31/66/17/557316617.db2.gz ULODFWFBGGOSAY-FQEVSTJZSA-N 1 2 416.566 3.357 50 0 HGAALO CCOC(=O)c1c(NC(=S)NN2CC[NH+](C)CC2)sc(C)c1-c1ccccc1 ZINC000002855519 557406871 /nfs/dbraw/zinc/40/68/71/557406871.db2.gz DNMQYOFRGSVZJC-UHFFFAOYSA-N 1 2 418.588 3.349 50 0 HGAALO Cc1c(O[C@@H](C)C(=O)NCCCn2cc[nH+]c2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000006659750 557712513 /nfs/dbraw/zinc/71/25/13/557712513.db2.gz KXNRZZWQUAATAL-INIZCTEOSA-N 1 2 409.486 3.151 50 0 HGAALO Cc1onc(-c2ccccc2)c1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019832016 558291884 /nfs/dbraw/zinc/29/18/84/558291884.db2.gz YPJCGFMDAMLIKX-UHFFFAOYSA-N 1 2 405.454 3.337 50 0 HGAALO O=C(COc1ccc(Br)cc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019889460 558302386 /nfs/dbraw/zinc/30/23/86/558302386.db2.gz AFOCUEDGOJJEOV-UHFFFAOYSA-N 1 2 407.283 3.311 50 0 HGAALO CCOc1cc(C[NH+]2CCN(C(=O)c3c(OC)cccc3OC)CC2)ccc1OC ZINC000019889361 558302397 /nfs/dbraw/zinc/30/23/97/558302397.db2.gz UNYLLIXAEDHKGE-UHFFFAOYSA-N 1 2 414.502 3.069 50 0 HGAALO Clc1cccc(-c2noc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000020206091 558346827 /nfs/dbraw/zinc/34/68/27/558346827.db2.gz SJCRDVKWZQFZAN-UHFFFAOYSA-N 1 2 412.877 3.437 50 0 HGAALO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1CCC[NH+]1CCOCC1 ZINC000020219645 558348526 /nfs/dbraw/zinc/34/85/26/558348526.db2.gz VHFXXZCXQLECSF-OAQYLSRUSA-N 1 2 404.466 3.061 50 0 HGAALO Cc1cc(C(=O)NCC[NH+]2CCOCC2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000020230480 558350076 /nfs/dbraw/zinc/35/00/76/558350076.db2.gz QKYQXGGHAZGKPO-UHFFFAOYSA-N 1 2 417.724 3.203 50 0 HGAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012198943 558350907 /nfs/dbraw/zinc/35/09/07/558350907.db2.gz LCWLUDXSTDODDA-IBGZPJMESA-N 1 2 404.470 3.360 50 0 HGAALO CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1C[N@@H+]1CCC[C@H]1CO ZINC000012218501 558354582 /nfs/dbraw/zinc/35/45/82/558354582.db2.gz DRPDQEZVTQETJA-HNNXBMFYSA-N 1 2 414.893 3.207 50 0 HGAALO CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1C[N@H+]1CCC[C@H]1CO ZINC000012218501 558354584 /nfs/dbraw/zinc/35/45/84/558354584.db2.gz DRPDQEZVTQETJA-HNNXBMFYSA-N 1 2 414.893 3.207 50 0 HGAALO Cc1ccc2c(C[NH+]3CCN(CC(=O)N(C)c4ccc(F)cc4)CC3)cc(=O)oc2c1 ZINC000020407822 558360508 /nfs/dbraw/zinc/36/05/08/558360508.db2.gz SCQMLOZXNZBORO-UHFFFAOYSA-N 1 2 423.488 3.021 50 0 HGAALO COCCn1c(C)cc(=O)c(C(=O)NCc2cn3ccccc3[nH+]2)c1CC1CCCC1 ZINC000012245185 558361370 /nfs/dbraw/zinc/36/13/70/558361370.db2.gz CPLQLJIAMRBOGR-UHFFFAOYSA-N 1 2 422.529 3.114 50 0 HGAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000022928908 558365441 /nfs/dbraw/zinc/36/54/41/558365441.db2.gz PANHQWMOSYVCBO-SFTDATJTSA-N 1 2 422.573 3.125 50 0 HGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@@H]1CCO ZINC000020514109 558382641 /nfs/dbraw/zinc/38/26/41/558382641.db2.gz BVFBHTWIIPUHAN-DEOSSOPVSA-N 1 2 420.557 3.340 50 0 HGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@@H]1CCO ZINC000020514109 558382644 /nfs/dbraw/zinc/38/26/44/558382644.db2.gz BVFBHTWIIPUHAN-DEOSSOPVSA-N 1 2 420.557 3.340 50 0 HGAALO Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)C[N@@H+]2CCOc3ccccc3C2)C1 ZINC000012711387 558452383 /nfs/dbraw/zinc/45/23/83/558452383.db2.gz TUSACROTWKIGPH-VWLOTQADSA-N 1 2 408.542 3.033 50 0 HGAALO Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)C[N@H+]2CCOc3ccccc3C2)C1 ZINC000012711387 558452384 /nfs/dbraw/zinc/45/23/84/558452384.db2.gz TUSACROTWKIGPH-VWLOTQADSA-N 1 2 408.542 3.033 50 0 HGAALO O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000021867544 558452994 /nfs/dbraw/zinc/45/29/94/558452994.db2.gz IZDFXCYIBCBJIR-CMDGGOBGSA-N 1 2 423.582 3.344 50 0 HGAALO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000010833146 558483904 /nfs/dbraw/zinc/48/39/04/558483904.db2.gz STIBZCIGDDWKTD-UHFFFAOYSA-N 1 2 405.498 3.347 50 0 HGAALO Cc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013038760 558505887 /nfs/dbraw/zinc/50/58/87/558505887.db2.gz 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ZINC000012765768 568948300 /nfs/dbraw/zinc/94/83/00/568948300.db2.gz FNTNEPCPLIYCAP-UHFFFAOYSA-N 1 2 421.453 3.009 50 0 HGAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1ccc2c(c1)OCO2 ZINC000012765768 568948302 /nfs/dbraw/zinc/94/83/02/568948302.db2.gz FNTNEPCPLIYCAP-UHFFFAOYSA-N 1 2 421.453 3.009 50 0 HGAALO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1 ZINC000008012551 568968209 /nfs/dbraw/zinc/96/82/09/568968209.db2.gz QJGKKZURZXKACU-UHFFFAOYSA-N 1 2 414.513 3.095 50 0 HGAALO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)c2cncn2-c2ccccc2)CC1 ZINC000008012551 568968211 /nfs/dbraw/zinc/96/82/11/568968211.db2.gz QJGKKZURZXKACU-UHFFFAOYSA-N 1 2 414.513 3.095 50 0 HGAALO COc1cccc2cc(C(=O)N3CCN(c4cc(N5CCCCC5)[nH+]cn4)CC3)oc21 ZINC000038488371 568997566 /nfs/dbraw/zinc/99/75/66/568997566.db2.gz SOVGJWCKZWJPRC-UHFFFAOYSA-N 1 2 421.501 3.184 50 0 HGAALO COc1cccc2cc(C(=O)N3CCN(c4cc(N5CCCCC5)nc[nH+]4)CC3)oc21 ZINC000038488371 568997569 /nfs/dbraw/zinc/99/75/69/568997569.db2.gz SOVGJWCKZWJPRC-UHFFFAOYSA-N 1 2 421.501 3.184 50 0 HGAALO CC(=O)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020419309 569007938 /nfs/dbraw/zinc/00/79/38/569007938.db2.gz DWTDGCXSUCRGEH-IBGZPJMESA-N 1 2 422.447 3.470 50 0 HGAALO O=C(C[NH+]1CCC(NC(=O)NCCc2c[nH]c3ccccc23)CC1)Nc1ccccc1 ZINC000026283329 569031052 /nfs/dbraw/zinc/03/10/52/569031052.db2.gz QEDHUEYFFKOZIX-UHFFFAOYSA-N 1 2 419.529 3.113 50 0 HGAALO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000016374284 569039457 /nfs/dbraw/zinc/03/94/57/569039457.db2.gz HZIPZAIAJLWXNR-UHFFFAOYSA-N 1 2 411.399 3.373 50 0 HGAALO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000016374284 569039458 /nfs/dbraw/zinc/03/94/58/569039458.db2.gz HZIPZAIAJLWXNR-UHFFFAOYSA-N 1 2 411.399 3.373 50 0 HGAALO O=C(COc1ccc(Cl)cc1Cl)NCCNc1cc(-n2cccc2)nc[nH+]1 ZINC000090607803 569042118 /nfs/dbraw/zinc/04/21/18/569042118.db2.gz CFBBWSIAHQBVCY-UHFFFAOYSA-N 1 2 406.273 3.181 50 0 HGAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000245242151 569055328 /nfs/dbraw/zinc/05/53/28/569055328.db2.gz DCGMCPLEEATNEO-UWJYYQICSA-N 1 2 422.481 3.386 50 0 HGAALO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000245242151 569055329 /nfs/dbraw/zinc/05/53/29/569055329.db2.gz DCGMCPLEEATNEO-UWJYYQICSA-N 1 2 422.481 3.386 50 0 HGAALO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)[N@H+]2CCC[C@@H]32)cc1 ZINC000248083368 569057595 /nfs/dbraw/zinc/05/75/95/569057595.db2.gz DNFVZNPHOQSYCX-LWYYNNOASA-N 1 2 408.885 3.484 50 0 HGAALO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)[N@@H+]2CCC[C@@H]32)cc1 ZINC000248083368 569057596 /nfs/dbraw/zinc/05/75/96/569057596.db2.gz DNFVZNPHOQSYCX-LWYYNNOASA-N 1 2 408.885 3.484 50 0 HGAALO Cc1cccc(N2CC[NH+](CCNC(=O)c3csc(-c4ccncc4)n3)CC2)c1C ZINC000064518530 569065223 /nfs/dbraw/zinc/06/52/23/569065223.db2.gz FLWJMXNXSGUFDG-UHFFFAOYSA-N 1 2 421.570 3.374 50 0 HGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCC[C@@H]3CCOC3)csc2C1 ZINC000426526036 569073267 /nfs/dbraw/zinc/07/32/67/569073267.db2.gz JHHVPOGXKNYHEY-MRXNPFEDSA-N 1 2 403.548 3.458 50 0 HGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCC[C@@H]3CCOC3)csc2C1 ZINC000426526036 569073268 /nfs/dbraw/zinc/07/32/68/569073268.db2.gz JHHVPOGXKNYHEY-MRXNPFEDSA-N 1 2 403.548 3.458 50 0 HGAALO CC[C@H](C)CN1C(=O)[C@@H]([C@@H](C)CC)[NH2+]C12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000036028177 569078082 /nfs/dbraw/zinc/07/80/82/569078082.db2.gz CKVREYRKLOMHKH-CMKODMSKSA-N 1 2 421.607 3.060 50 0 HGAALO CC[C@@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036254333 569120092 /nfs/dbraw/zinc/12/00/92/569120092.db2.gz BEHPCCRJPDRKER-DYESRHJHSA-N 1 2 403.542 3.305 50 0 HGAALO C[C@@H]1CCCCN1c1cc(-n2cnc(C(=O)Nc3ccc4c(c3)OCCO4)c2)nc[nH+]1 ZINC000065239905 569203681 /nfs/dbraw/zinc/20/36/81/569203681.db2.gz FYWNIWLZIXKMAJ-OAHLLOKOSA-N 1 2 420.473 3.065 50 0 HGAALO c1c(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)[nH+]c2ccccn12 ZINC000007073428 569217757 /nfs/dbraw/zinc/21/77/57/569217757.db2.gz HFVSJWVXQAQXLV-UHFFFAOYSA-N 1 2 406.515 3.103 50 0 HGAALO O=S(=O)(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccc(F)c(Cl)c1 ZINC000036700243 569222655 /nfs/dbraw/zinc/22/26/55/569222655.db2.gz VNUWASZBUPZUBV-IBGZPJMESA-N 1 2 412.914 3.221 50 0 HGAALO O=S(=O)(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccc(F)c(Cl)c1 ZINC000036700243 569222656 /nfs/dbraw/zinc/22/26/56/569222656.db2.gz VNUWASZBUPZUBV-IBGZPJMESA-N 1 2 412.914 3.221 50 0 HGAALO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)o1)c1ccc(Br)s1 ZINC000170595043 569241554 /nfs/dbraw/zinc/24/15/54/569241554.db2.gz PAMJMWMUEBNZEN-GFCCVEGCSA-N 1 2 413.337 3.356 50 0 HGAALO O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000170610265 569245554 /nfs/dbraw/zinc/24/55/54/569245554.db2.gz SKVPUYJNJJHKBU-HXUWFJFHSA-N 1 2 406.954 3.148 50 0 HGAALO O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000170610265 569245555 /nfs/dbraw/zinc/24/55/55/569245555.db2.gz SKVPUYJNJJHKBU-HXUWFJFHSA-N 1 2 406.954 3.148 50 0 HGAALO O=c1[nH]c(=O)n(-c2cccc3ccccc32)c(O)c1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000016972169 569269669 /nfs/dbraw/zinc/26/96/69/569269669.db2.gz FDQKEPIVTIKFEE-QFIPXVFZSA-N 1 2 424.460 3.101 50 0 biogenic HGAALO Cc1cc2c(cc(C(=O)NCC[NH+]3CCOCC3)n2Cc2ccc(F)cc2F)s1 ZINC000037526247 569304194 /nfs/dbraw/zinc/30/41/94/569304194.db2.gz IWQLXIABRSEPOL-UHFFFAOYSA-N 1 2 419.497 3.400 50 0 HGAALO COc1cc2c3cnn(C[N@@H+]4CC[C@@H](c5ccccc5)C4)c(=O)c3n(C)c2cc1OC ZINC000079476964 569431494 /nfs/dbraw/zinc/43/14/94/569431494.db2.gz HMPDXALCTPIWSJ-QGZVFWFLSA-N 1 2 418.497 3.352 50 0 HGAALO COc1cc2c3cnn(C[N@H+]4CC[C@@H](c5ccccc5)C4)c(=O)c3n(C)c2cc1OC ZINC000079476964 569431496 /nfs/dbraw/zinc/43/14/96/569431496.db2.gz HMPDXALCTPIWSJ-QGZVFWFLSA-N 1 2 418.497 3.352 50 0 HGAALO Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1ccc2[nH]c(CC(C)C)[nH+]c2c1 ZINC000079484845 569431952 /nfs/dbraw/zinc/43/19/52/569431952.db2.gz FOPIPSVNNMMEJX-UHFFFAOYSA-N 1 2 405.458 3.124 50 0 HGAALO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccnn1C1CCCC1 ZINC000039995933 571137390 /nfs/dbraw/zinc/13/73/90/571137390.db2.gz WNPNCLCENXXLAL-UHFFFAOYSA-N 1 2 401.555 3.051 50 0 HGAALO CCn1c(SCC(=O)NCCc2cn3ccccc3[nH+]2)nnc1-c1cccc(C)c1 ZINC000040039642 571141962 /nfs/dbraw/zinc/14/19/62/571141962.db2.gz ILFJUYCEACXCID-UHFFFAOYSA-N 1 2 420.542 3.372 50 0 HGAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCCc1nc2ccccc2[nH]1)c1cccc(F)c1 ZINC000040071895 571152575 /nfs/dbraw/zinc/15/25/75/571152575.db2.gz YFVJTQOFNISXRU-HXUWFJFHSA-N 1 2 406.465 3.457 50 0 HGAALO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000040096063 571161976 /nfs/dbraw/zinc/16/19/76/571161976.db2.gz TUEVVKYGHKCQLZ-HNNXBMFYSA-N 1 2 412.456 3.256 50 0 HGAALO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCc3cn4ccccc4[nH+]3)C2)c1 ZINC000040144482 571194656 /nfs/dbraw/zinc/19/46/56/571194656.db2.gz CVANGNKQXYBKOP-IBGZPJMESA-N 1 2 404.514 3.162 50 0 HGAALO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(-n3cccn3)nc2)C[C@@H](C)O1 ZINC000040145364 571195565 /nfs/dbraw/zinc/19/55/65/571195565.db2.gz CXIBUNPMNGROPD-QZTJIDSGSA-N 1 2 420.517 3.198 50 0 HGAALO CCC[N@H+](CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040151433 571199303 /nfs/dbraw/zinc/19/93/03/571199303.db2.gz CBBWLCMQQPCCPE-ZFWWWQNUSA-N 1 2 421.390 3.412 50 0 HGAALO CCC[N@@H+](CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040151433 571199307 /nfs/dbraw/zinc/19/93/07/571199307.db2.gz CBBWLCMQQPCCPE-ZFWWWQNUSA-N 1 2 421.390 3.412 50 0 HGAALO O=C(C1CC1)N1CCCCC[C@@H]1C1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000069778812 571244356 /nfs/dbraw/zinc/24/43/56/571244356.db2.gz RGDNBNFLJKAPIL-JOCHJYFZSA-N 1 2 418.603 3.354 50 0 HGAALO COc1cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1N1CCCC1=O ZINC000069816243 571245705 /nfs/dbraw/zinc/24/57/05/571245705.db2.gz MXSVBKSTPOOEBA-UHFFFAOYSA-N 1 2 419.485 3.389 50 0 HGAALO C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)C(=O)NCc1ccco1 ZINC000009339391 571249705 /nfs/dbraw/zinc/24/97/05/571249705.db2.gz GVGSHYCFBGURIK-MRXNPFEDSA-N 1 2 411.531 3.253 50 0 HGAALO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ccccc1N1CCCCC1 ZINC000070009083 571253824 /nfs/dbraw/zinc/25/38/24/571253824.db2.gz OYTIPUPGAVMOPZ-OAQYLSRUSA-N 1 2 404.580 3.006 50 0 HGAALO CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2 ZINC000009526830 571265870 /nfs/dbraw/zinc/26/58/70/571265870.db2.gz DISYHBGACGPJAC-UHFFFAOYSA-N 1 2 424.932 3.252 50 0 biogenic HGAALO Cc1ccc(-n2c(SCc3cn4ccccc4[nH+]3)nnc2N2CCOCC2)cc1 ZINC000009683431 571279371 /nfs/dbraw/zinc/27/93/71/571279371.db2.gz ZOJOWZSTCMFKKY-UHFFFAOYSA-N 1 2 406.515 3.352 50 0 HGAALO Cc1cc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c2ccc(F)cc2n1 ZINC000071831024 571302586 /nfs/dbraw/zinc/30/25/86/571302586.db2.gz KLHKUGCTGCLACI-UHFFFAOYSA-N 1 2 423.488 3.323 50 0 HGAALO c1ccc(N2CCN(c3nc4ccccc4c4nc(-c5cccnc5)nn43)CC2)[nH+]c1 ZINC000006805431 132317862 /nfs/dbraw/zinc/31/78/62/132317862.db2.gz BSHDQRCONRBBAP-UHFFFAOYSA-N 1 2 408.469 3.061 50 0 HGAALO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000009546743 132341030 /nfs/dbraw/zinc/34/10/30/132341030.db2.gz YPVCUPBTNNHGBJ-OAQYLSRUSA-N 1 2 417.557 3.101 50 0 HGAALO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000009546743 132341032 /nfs/dbraw/zinc/34/10/32/132341032.db2.gz YPVCUPBTNNHGBJ-OAQYLSRUSA-N 1 2 417.557 3.101 50 0 HGAALO O=C(NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Br)o1 ZINC000011900309 132351739 /nfs/dbraw/zinc/35/17/39/132351739.db2.gz MSANRMCXHQTEJQ-UHFFFAOYSA-N 1 2 412.715 3.248 50 0 HGAALO COc1ccc(Nc2nc(NCCc3ccccc3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000012235105 132357460 /nfs/dbraw/zinc/35/74/60/132357460.db2.gz SFLMTPHHNMSVRP-UHFFFAOYSA-N 1 2 406.490 3.115 50 0 HGAALO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000025355244 519812308 /nfs/dbraw/zinc/81/23/08/519812308.db2.gz XYVWAZFYGFGGOF-ZDUSSCGKSA-N 1 2 406.880 3.427 50 0 HGAALO CC(C)[C@H](C)NC(=O)C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000025355244 519812309 /nfs/dbraw/zinc/81/23/09/519812309.db2.gz XYVWAZFYGFGGOF-ZDUSSCGKSA-N 1 2 406.880 3.427 50 0 HGAALO CC[N@H+](CC(=O)NC(C)C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000032856058 520324777 /nfs/dbraw/zinc/32/47/77/520324777.db2.gz YLQCASTVYWDNPL-FQEVSTJZSA-N 1 2 405.589 3.130 50 0 HGAALO CC[N@@H+](CC(=O)NC(C)C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000032856058 520324785 /nfs/dbraw/zinc/32/47/85/520324785.db2.gz YLQCASTVYWDNPL-FQEVSTJZSA-N 1 2 405.589 3.130 50 0 HGAALO CCOC(=O)N1CCC(NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000032759249 520924264 /nfs/dbraw/zinc/92/42/64/520924264.db2.gz CGWSODHYHMGXGK-UHFFFAOYSA-N 1 2 402.322 3.162 50 0 HGAALO CCOC(=O)N1CCC(NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000032759249 520924271 /nfs/dbraw/zinc/92/42/71/520924271.db2.gz CGWSODHYHMGXGK-UHFFFAOYSA-N 1 2 402.322 3.162 50 0 HGAALO CC[N@@H+](Cc1nc(COc2ccc(OC)cc2)no1)C[C@@H]1COc2ccccc2O1 ZINC000032868770 521452475 /nfs/dbraw/zinc/45/24/75/521452475.db2.gz UQXUYLSCIHIGHQ-GOSISDBHSA-N 1 2 411.458 3.319 50 0 HGAALO CC[N@H+](Cc1nc(COc2ccc(OC)cc2)no1)C[C@@H]1COc2ccccc2O1 ZINC000032868770 521452479 /nfs/dbraw/zinc/45/24/79/521452479.db2.gz UQXUYLSCIHIGHQ-GOSISDBHSA-N 1 2 411.458 3.319 50 0 HGAALO COc1cc(COCC2CC[NH+](CC(=O)Nc3nc(C)cs3)CC2)cc(OC)c1 ZINC000077191449 522500327 /nfs/dbraw/zinc/50/03/27/522500327.db2.gz HXYCWFBBKLDSTA-UHFFFAOYSA-N 1 2 419.547 3.336 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)CC2)cc1 ZINC000032747634 524031108 /nfs/dbraw/zinc/03/11/08/524031108.db2.gz RVBVSPBPERGDPR-HNNXBMFYSA-N 1 2 411.527 3.086 50 0 HGAALO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(C)=O ZINC000043727065 524217361 /nfs/dbraw/zinc/21/73/61/524217361.db2.gz ULBVRRNILONBHC-MHTWAQMVSA-N 1 2 422.868 3.453 50 0 HGAALO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(C)=O ZINC000043727065 524217365 /nfs/dbraw/zinc/21/73/65/524217365.db2.gz ULBVRRNILONBHC-MHTWAQMVSA-N 1 2 422.868 3.453 50 0 HGAALO Cc1cccc([C@@H](CNC(=O)CCCc2nc3ccccc3[nH]2)[NH+]2CCOCC2)c1 ZINC000031994114 524837067 /nfs/dbraw/zinc/83/70/67/524837067.db2.gz DGLRZAPPXDCPCC-JOCHJYFZSA-N 1 2 406.530 3.384 50 0 HGAALO Cc1cccc([C@H](CNC(=O)CCCc2nc3ccccc3[nH]2)[NH+]2CCOCC2)c1 ZINC000031994120 524882141 /nfs/dbraw/zinc/88/21/41/524882141.db2.gz DGLRZAPPXDCPCC-QFIPXVFZSA-N 1 2 406.530 3.384 50 0 HGAALO C[C@@H](NC(=O)C[NH+]1CCN(c2ncccn2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000036387045 525106856 /nfs/dbraw/zinc/10/68/56/525106856.db2.gz VMAQMAXBNZKXBP-LJQANCHMSA-N 1 2 401.514 3.143 50 0 HGAALO COc1ccc([C@@H](NC(=O)NCc2cnn(-c3ccccc3)c2)c2[nH+]ccn2C)cc1 ZINC000032809220 525198193 /nfs/dbraw/zinc/19/81/93/525198193.db2.gz BUKURZZVSZLSOL-OAQYLSRUSA-N 1 2 416.485 3.203 50 0 HGAALO Cc1cc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c2c(C)cc(=O)oc2c1 ZINC000020573481 525365311 /nfs/dbraw/zinc/36/53/11/525365311.db2.gz KNRNNLLCLPZDIZ-UHFFFAOYSA-N 1 2 422.481 3.260 50 0 HGAALO COc1ccc2[nH]c(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(C)c2c1 ZINC000020548535 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407.436 3.470 50 0 HGAALO O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022835527 557835222 /nfs/dbraw/zinc/83/52/22/557835222.db2.gz LJPIUALHTGPTHX-QFIPXVFZSA-N 1 2 408.498 3.039 50 0 HGAALO O=C(NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000015882585 557843347 /nfs/dbraw/zinc/84/33/47/557843347.db2.gz ZZKKZMUGHFLGFS-JOCHJYFZSA-N 1 2 418.472 3.075 50 0 HGAALO O=C(NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000015882585 557843350 /nfs/dbraw/zinc/84/33/50/557843350.db2.gz ZZKKZMUGHFLGFS-JOCHJYFZSA-N 1 2 418.472 3.075 50 0 HGAALO O=S(=O)(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022907140 557852909 /nfs/dbraw/zinc/85/29/09/557852909.db2.gz SPDVSBUQMHDIQS-HXUWFJFHSA-N 1 2 400.475 3.497 50 0 HGAALO O=S(=O)(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022907140 557852910 /nfs/dbraw/zinc/85/29/10/557852910.db2.gz SPDVSBUQMHDIQS-HXUWFJFHSA-N 1 2 400.475 3.497 50 0 HGAALO Cc1ccc2[nH]c(C(=O)N3CCC(=O)N(Cc4cn5cccc(C)c5[nH+]4)CC3)cc2c1 ZINC000011784204 558275521 /nfs/dbraw/zinc/27/55/21/558275521.db2.gz NCRBOCSEULAHEG-UHFFFAOYSA-N 1 2 415.497 3.307 50 0 HGAALO O=C(c1nc2sccn2c1C[NH+]1CCC(Oc2cccnc2)CC1)N1CCCC1 ZINC000019788307 558281951 /nfs/dbraw/zinc/28/19/51/558281951.db2.gz PYSKUWKDSXAKMZ-UHFFFAOYSA-N 1 2 411.531 3.070 50 0 HGAALO COc1cc(SC)ccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019866736 558298872 /nfs/dbraw/zinc/29/88/72/558298872.db2.gz JBDKEIFCZUBVRQ-UHFFFAOYSA-N 1 2 400.500 3.104 50 0 HGAALO Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000019897789 558304236 /nfs/dbraw/zinc/30/42/36/558304236.db2.gz HSYKLCUASSQWHL-QFIPXVFZSA-N 1 2 418.493 3.369 50 0 HGAALO O=C1C[C@@H](N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000020028911 558323327 /nfs/dbraw/zinc/32/33/27/558323327.db2.gz WQNOPHPESMNOSW-LJQANCHMSA-N 1 2 418.324 3.443 50 0 HGAALO O=C1C[C@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccccc1 ZINC000020080975 558330862 /nfs/dbraw/zinc/33/08/62/558330862.db2.gz AITHRCOIFPFUQT-SFHVURJKSA-N 1 2 404.297 3.448 50 0 HGAALO COc1cc(OC)cc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000020138582 558338166 /nfs/dbraw/zinc/33/81/66/558338166.db2.gz BJPXHTAYLPKOTP-QGZVFWFLSA-N 1 2 409.269 3.432 50 0 HGAALO CCOc1ccc(CN2CC[N@H+](Cc3cccn3-c3cccnc3)C[C@@H]2CCO)cc1 ZINC000020210409 558347457 /nfs/dbraw/zinc/34/74/57/558347457.db2.gz YGAXOMXVAAPJNR-QHCPKHFHSA-N 1 2 420.557 3.340 50 0 HGAALO CCOc1ccc(CN2CC[N@@H+](Cc3cccn3-c3cccnc3)C[C@@H]2CCO)cc1 ZINC000020210409 558347460 /nfs/dbraw/zinc/34/74/60/558347460.db2.gz YGAXOMXVAAPJNR-QHCPKHFHSA-N 1 2 420.557 3.340 50 0 HGAALO CSc1nc2sc3c(c2c(SCC(=O)NCc2ccco2)n1)CC[N@@H+](C)C3 ZINC000020358623 558357898 /nfs/dbraw/zinc/35/78/98/558357898.db2.gz NQRNUUBDWZDGSY-UHFFFAOYSA-N 1 2 420.585 3.403 50 0 HGAALO CSc1nc2sc3c(c2c(SCC(=O)NCc2ccco2)n1)CC[N@H+](C)C3 ZINC000020358623 558357901 /nfs/dbraw/zinc/35/79/01/558357901.db2.gz NQRNUUBDWZDGSY-UHFFFAOYSA-N 1 2 420.585 3.403 50 0 HGAALO CN(Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)Cc1[nH+]ccn1C ZINC000012447412 558414924 /nfs/dbraw/zinc/41/49/24/558414924.db2.gz CRBFXSDSACEKJF-UHFFFAOYSA-N 1 2 419.595 3.013 50 0 HGAALO COc1ccc2[nH]c(S[C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000021128412 558431682 /nfs/dbraw/zinc/43/16/82/558431682.db2.gz DEXHYJRLCZSNEC-INIZCTEOSA-N 1 2 410.543 3.397 50 0 HGAALO Cc1ccc(C(=O)CCC(=O)OCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000022201731 558466538 /nfs/dbraw/zinc/46/65/38/558466538.db2.gz UJBYREHFJJSZSS-HSZRJFAPSA-N 1 2 419.481 3.140 50 0 HGAALO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022802448 558513274 /nfs/dbraw/zinc/51/32/74/558513274.db2.gz ZDJQYOFMCUXBKL-HSZRJFAPSA-N 1 2 409.530 3.143 50 0 HGAALO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022802448 558513277 /nfs/dbraw/zinc/51/32/77/558513277.db2.gz ZDJQYOFMCUXBKL-HSZRJFAPSA-N 1 2 409.530 3.143 50 0 HGAALO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022802454 558513301 /nfs/dbraw/zinc/51/33/01/558513301.db2.gz ZDJQYOFMCUXBKL-QHCPKHFHSA-N 1 2 409.530 3.143 50 0 HGAALO CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022802454 558513302 /nfs/dbraw/zinc/51/33/02/558513302.db2.gz ZDJQYOFMCUXBKL-QHCPKHFHSA-N 1 2 409.530 3.143 50 0 HGAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1 ZINC000013121515 558517366 /nfs/dbraw/zinc/51/73/66/558517366.db2.gz ZZVAWRISCZFWDI-LZFQIVBZSA-N 1 2 401.507 3.299 50 0 HGAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1 ZINC000013121515 558517367 /nfs/dbraw/zinc/51/73/67/558517367.db2.gz ZZVAWRISCZFWDI-LZFQIVBZSA-N 1 2 401.507 3.299 50 0 HGAALO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000022966555 558528273 /nfs/dbraw/zinc/52/82/73/558528273.db2.gz USOONRJXLDADNL-SNVBAGLBSA-N 1 2 401.410 3.205 50 0 HGAALO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000022966555 558528274 /nfs/dbraw/zinc/52/82/74/558528274.db2.gz USOONRJXLDADNL-SNVBAGLBSA-N 1 2 401.410 3.205 50 0 HGAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc2nsnc21 ZINC000013324570 558530121 /nfs/dbraw/zinc/53/01/21/558530121.db2.gz RSDJUAXYOTUJSX-UHFFFAOYSA-N 1 2 421.448 3.471 50 0 HGAALO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)ccc1OC(F)F ZINC000023058465 558532744 /nfs/dbraw/zinc/53/27/44/558532744.db2.gz RWZYUFCCMOMVAC-UHFFFAOYSA-N 1 2 406.429 3.059 50 0 HGAALO O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023135392 558537356 /nfs/dbraw/zinc/53/73/56/558537356.db2.gz UOLCHCCGWFVBNY-UHFFFAOYSA-N 1 2 404.466 3.177 50 0 HGAALO Cc1c(O)ccc2c(C[NH+]3CCN(Cc4ccc5c(c4)CCO5)CC3)cc(=O)oc12 ZINC000023303339 558548607 /nfs/dbraw/zinc/54/86/07/558548607.db2.gz NAJJENDTPROECB-UHFFFAOYSA-N 1 2 406.482 3.060 50 0 HGAALO COc1ccc([C@@H](NC(=O)c2cc(Cl)c3c(c2)OCCO3)c2[nH+]ccn2C)cc1 ZINC000024025690 558585159 /nfs/dbraw/zinc/58/51/59/558585159.db2.gz QRYMLWGDCOYYNF-GOSISDBHSA-N 1 2 413.861 3.373 50 0 HGAALO COc1ccc([C@H](NC(=O)CCc2nc(-c3cccs3)no2)c2[nH+]ccn2C)cc1 ZINC000024025925 558585183 /nfs/dbraw/zinc/58/51/83/558585183.db2.gz DRZFMZJQVSJGIU-IBGZPJMESA-N 1 2 423.498 3.379 50 0 HGAALO CC(C)C(=O)Nc1ccc(C2(C(=O)N3CCN(c4cccc[nH+]4)CC3)CCC2)cc1 ZINC000065029577 558588715 /nfs/dbraw/zinc/58/87/15/558588715.db2.gz DNNYZUIRZPTOHJ-UHFFFAOYSA-N 1 2 406.530 3.447 50 0 HGAALO COc1ccc(CCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1OC ZINC000024218232 558592647 /nfs/dbraw/zinc/59/26/47/558592647.db2.gz XIPYUPSPAPSRGJ-UHFFFAOYSA-N 1 2 412.534 3.207 50 0 HGAALO O=C(NC1CCCCC1)c1cn(CC[NH+]2CCOCC2)c2cc(Cl)ccc2c1=O ZINC000013831245 558596485 /nfs/dbraw/zinc/59/64/85/558596485.db2.gz MFKWLGOHFQBVAA-UHFFFAOYSA-N 1 2 417.937 3.050 50 0 in-vitro HGAALO Clc1ccccc1C[N@@H+]1CCO[C@H](CSc2nnnn2Cc2ccccc2)C1 ZINC000014094939 558619763 /nfs/dbraw/zinc/61/97/63/558619763.db2.gz OLABRRRKCCAKIT-SFHVURJKSA-N 1 2 415.950 3.368 50 0 HGAALO Clc1ccccc1C[N@H+]1CCO[C@H](CSc2nnnn2Cc2ccccc2)C1 ZINC000014094939 558619765 /nfs/dbraw/zinc/61/97/65/558619765.db2.gz OLABRRRKCCAKIT-SFHVURJKSA-N 1 2 415.950 3.368 50 0 HGAALO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000024926619 558621063 /nfs/dbraw/zinc/62/10/63/558621063.db2.gz TVELKFHSRQEQNF-UHFFFAOYSA-N 1 2 407.511 3.010 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000024986663 558625107 /nfs/dbraw/zinc/62/51/07/558625107.db2.gz SKWZADGXWFDZCY-HBRISMIWSA-N 1 2 420.557 3.348 50 0 HGAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)n(-c2ccc(C)cc2)n1 ZINC000025045676 558628049 /nfs/dbraw/zinc/62/80/49/558628049.db2.gz BUPXADRLEHWHBD-UHFFFAOYSA-N 1 2 406.486 3.331 50 0 HGAALO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)n(-c2ccc(C)cc2)n1 ZINC000025045676 558628052 /nfs/dbraw/zinc/62/80/52/558628052.db2.gz BUPXADRLEHWHBD-UHFFFAOYSA-N 1 2 406.486 3.331 50 0 HGAALO CC(C)c1noc2ncc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc21 ZINC000025139374 558632548 /nfs/dbraw/zinc/63/25/48/558632548.db2.gz WPFOAQMDPMVHBC-UHFFFAOYSA-N 1 2 408.458 3.033 50 0 HGAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC000014250694 558649865 /nfs/dbraw/zinc/64/98/65/558649865.db2.gz STGYKGDEWIGHDR-UHFFFAOYSA-N 1 2 401.451 3.285 50 0 HGAALO COc1ccc(C)cc1[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000026283396 558658349 /nfs/dbraw/zinc/65/83/49/558658349.db2.gz PGIVGGPRGXAJND-GOSISDBHSA-N 1 2 424.545 3.467 50 0 HGAALO Cc1ccc(-n2cnnc2SCC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1C ZINC000026937175 558667451 /nfs/dbraw/zinc/66/74/51/558667451.db2.gz UCAYJJWEKKJPTG-NRFANRHFSA-N 1 2 421.570 3.492 50 0 HGAALO Cc1ccc(-n2cnnc2SCC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1C ZINC000026937175 558667455 /nfs/dbraw/zinc/66/74/55/558667455.db2.gz UCAYJJWEKKJPTG-NRFANRHFSA-N 1 2 421.570 3.492 50 0 HGAALO Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000027545308 558674543 /nfs/dbraw/zinc/67/45/43/558674543.db2.gz YPNBQTRLKZWLEC-UHFFFAOYSA-N 1 2 416.591 3.121 50 0 HGAALO CCN1C[C@@H](C[N@H+](C)CCS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc21 ZINC000027543686 558674590 /nfs/dbraw/zinc/67/45/90/558674590.db2.gz ZJFKFUGLXNRHOD-QGZVFWFLSA-N 1 2 408.951 3.333 50 0 HGAALO CCN1C[C@@H](C[N@@H+](C)CCS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc21 ZINC000027543686 558674595 /nfs/dbraw/zinc/67/45/95/558674595.db2.gz ZJFKFUGLXNRHOD-QGZVFWFLSA-N 1 2 408.951 3.333 50 0 HGAALO C[NH+](C)[C@H](CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1cccc(F)c1 ZINC000027593398 558677124 /nfs/dbraw/zinc/67/71/24/558677124.db2.gz SQPXZUQFEFOTEZ-GOSISDBHSA-N 1 2 414.506 3.007 50 0 HGAALO COc1ccc2c(c1)CCCN2C(=O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000029144195 558710658 /nfs/dbraw/zinc/71/06/58/558710658.db2.gz JZLVZQUXNPXCBY-UHFFFAOYSA-N 1 2 423.561 3.018 50 0 HGAALO COc1ccc(C)cc1C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000029158880 558711025 /nfs/dbraw/zinc/71/10/25/558711025.db2.gz NNJAVYXVBJUJCX-ZDUSSCGKSA-N 1 2 401.532 3.112 50 0 HGAALO COc1ccc(C)cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000029158880 558711027 /nfs/dbraw/zinc/71/10/27/558711027.db2.gz NNJAVYXVBJUJCX-ZDUSSCGKSA-N 1 2 401.532 3.112 50 0 HGAALO CCS(=O)(=O)c1ncc(C[N@H+](C)CCC2CCOCC2)n1CCc1ccccc1 ZINC000015074534 558715331 /nfs/dbraw/zinc/71/53/31/558715331.db2.gz OPDGCTSMDPIKKD-UHFFFAOYSA-N 1 2 419.591 3.168 50 0 HGAALO CCS(=O)(=O)c1ncc(C[N@@H+](C)CCC2CCOCC2)n1CCc1ccccc1 ZINC000015074534 558715333 /nfs/dbraw/zinc/71/53/33/558715333.db2.gz OPDGCTSMDPIKKD-UHFFFAOYSA-N 1 2 419.591 3.168 50 0 HGAALO COc1cc(C(=O)NCc2cccnc2-n2cc[nH+]c2)ccc1OCc1cscn1 ZINC000029908687 558723827 /nfs/dbraw/zinc/72/38/27/558723827.db2.gz GXXMVSBUPGKJLH-UHFFFAOYSA-N 1 2 421.482 3.241 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cc(-c4ccc(C)cc4)n[nH]3)CC2)c1 ZINC000029985284 558725389 /nfs/dbraw/zinc/72/53/89/558725389.db2.gz LPZAENBLYBODBN-UHFFFAOYSA-N 1 2 420.513 3.360 50 0 HGAALO CC(C)[S@](=O)c1ccc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000072294488 558739633 /nfs/dbraw/zinc/73/96/33/558739633.db2.gz HUVTZKQGQVGQKT-SONOPUAISA-N 1 2 413.587 3.143 50 0 HGAALO COc1ccc(C(=O)COc2coc(C[N@@H+]3CCc4ccccc4C3)cc2=O)cc1 ZINC000004583925 558774213 /nfs/dbraw/zinc/77/42/13/558774213.db2.gz CYHZHHOBFROZSM-UHFFFAOYSA-N 1 2 405.450 3.468 50 0 HGAALO COc1ccc(C(=O)COc2coc(C[N@H+]3CCc4ccccc4C3)cc2=O)cc1 ZINC000004583925 558774216 /nfs/dbraw/zinc/77/42/16/558774216.db2.gz CYHZHHOBFROZSM-UHFFFAOYSA-N 1 2 405.450 3.468 50 0 HGAALO CCCN(C)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000036250799 558798791 /nfs/dbraw/zinc/79/87/91/558798791.db2.gz GBHVTFLULFRQNQ-HXUWFJFHSA-N 1 2 407.505 3.150 50 0 HGAALO O=C(c1ccc(F)cc1Cl)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038530658 558812202 /nfs/dbraw/zinc/81/22/02/558812202.db2.gz QGRQHMSDMMRLBD-UHFFFAOYSA-N 1 2 403.889 3.222 50 0 HGAALO O=C(c1ccc(F)cc1Cl)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038530658 558812203 /nfs/dbraw/zinc/81/22/03/558812203.db2.gz QGRQHMSDMMRLBD-UHFFFAOYSA-N 1 2 403.889 3.222 50 0 HGAALO COc1ccc(C[N@@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@H]2CCO)c(F)c1 ZINC000039485890 558821768 /nfs/dbraw/zinc/82/17/68/558821768.db2.gz ZBXLBFGEQTYVQS-QGZVFWFLSA-N 1 2 407.555 3.483 50 0 HGAALO COc1ccc(C[N@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@H]2CCO)c(F)c1 ZINC000039485890 558821770 /nfs/dbraw/zinc/82/17/70/558821770.db2.gz ZBXLBFGEQTYVQS-QGZVFWFLSA-N 1 2 407.555 3.483 50 0 HGAALO C[N@@H+]1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C[C@@H]1c1ccccc1 ZINC000019227055 558852803 /nfs/dbraw/zinc/85/28/03/558852803.db2.gz QFRKZMNTNCZDBW-HXUWFJFHSA-N 1 2 412.877 3.431 50 0 HGAALO C[N@H+]1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C[C@@H]1c1ccccc1 ZINC000019227055 558852805 /nfs/dbraw/zinc/85/28/05/558852805.db2.gz QFRKZMNTNCZDBW-HXUWFJFHSA-N 1 2 412.877 3.431 50 0 HGAALO COC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000055098882 558872041 /nfs/dbraw/zinc/87/20/41/558872041.db2.gz ABWGHERSKHXFNC-QHCPKHFHSA-N 1 2 421.541 3.378 50 0 HGAALO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055090666 558872068 /nfs/dbraw/zinc/87/20/68/558872068.db2.gz IGKNRVIBRZHBTK-IBGZPJMESA-N 1 2 405.454 3.405 50 0 HGAALO COC(=O)[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055090666 558872069 /nfs/dbraw/zinc/87/20/69/558872069.db2.gz IGKNRVIBRZHBTK-IBGZPJMESA-N 1 2 405.454 3.405 50 0 HGAALO CC(=O)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000055153560 558874311 /nfs/dbraw/zinc/87/43/11/558874311.db2.gz WSWNFMMQRRGVPV-QHCPKHFHSA-N 1 2 409.505 3.455 50 0 HGAALO COc1cc(C[NH+]2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc(OC)c1 ZINC000019361455 558876346 /nfs/dbraw/zinc/87/63/46/558876346.db2.gz YZOHFHDGOBHSTP-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO COc1cc(CN2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc(OC)c1 ZINC000019361455 558876347 /nfs/dbraw/zinc/87/63/47/558876347.db2.gz YZOHFHDGOBHSTP-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO O=S(=O)(c1ccc(Br)s1)N1CC[NH+](CCc2cccs2)CC1 ZINC000058158946 558904193 /nfs/dbraw/zinc/90/41/93/558904193.db2.gz YJJLRNPQROLJRW-UHFFFAOYSA-N 1 2 421.407 3.121 50 0 HGAALO COc1ccc(CCNC(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000058201172 558911377 /nfs/dbraw/zinc/91/13/77/558911377.db2.gz QJYBUWNBNMWZIH-UHFFFAOYSA-N 1 2 421.463 3.195 50 0 HGAALO COc1cccc2cc(C(=O)Oc3cc(C)c(C[NH+]4CCOCC4)cc3C)c(=O)oc21 ZINC000019618834 558946851 /nfs/dbraw/zinc/94/68/51/558946851.db2.gz SNBDLXPIYKFVAU-UHFFFAOYSA-N 1 2 423.465 3.470 50 0 HGAALO O=S(=O)(CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(F)(F)F ZINC000096663066 558983719 /nfs/dbraw/zinc/98/37/19/558983719.db2.gz NPCLBDQCHOBEPM-UHFFFAOYSA-N 1 2 412.477 3.328 50 0 HGAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)[nH+]c(C)n2)n1 ZINC000067622165 558989882 /nfs/dbraw/zinc/98/98/82/558989882.db2.gz JGGQDVSVFOZTRM-UHFFFAOYSA-N 1 2 410.909 3.203 50 0 HGAALO C[NH+]1CCN(c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)s2)CC1 ZINC000023139719 559020080 /nfs/dbraw/zinc/02/00/80/559020080.db2.gz WEKINUITZHVTHA-UHFFFAOYSA-N 1 2 417.482 3.040 50 0 HGAALO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cc(F)c(F)c(F)c1)CC2 ZINC000095529328 559086419 /nfs/dbraw/zinc/08/64/19/559086419.db2.gz IXFFMGYSYVCULX-UHFFFAOYSA-N 1 2 404.436 3.113 50 0 HGAALO O=C(C1CC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1cc(F)c(F)c(F)c1)CC2 ZINC000095529328 559086420 /nfs/dbraw/zinc/08/64/20/559086420.db2.gz IXFFMGYSYVCULX-UHFFFAOYSA-N 1 2 404.436 3.113 50 0 HGAALO CC(C)[S@](=O)c1ccc(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000072294490 559088519 /nfs/dbraw/zinc/08/85/19/559088519.db2.gz HUVTZKQGQVGQKT-ADXZGYQBSA-N 1 2 413.587 3.143 50 0 HGAALO CCS(=O)(=O)N1CCN(c2nc(C(C)C)[nH+]c(C)c2Cc2ccccc2F)CC1 ZINC000096317051 559109785 /nfs/dbraw/zinc/10/97/85/559109785.db2.gz QMPPJSXBBHFYBP-UHFFFAOYSA-N 1 2 420.554 3.110 50 0 HGAALO O=C(COc1ccc(Br)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000100836858 559141278 /nfs/dbraw/zinc/14/12/78/559141278.db2.gz XGSJWIFEMNKFTH-UHFFFAOYSA-N 1 2 410.699 3.225 50 0 HGAALO O=C(c1ccccc1Cl)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 ZINC000101658089 559147561 /nfs/dbraw/zinc/14/75/61/559147561.db2.gz DIHRSDMJUIOGBC-UHFFFAOYSA-N 1 2 411.889 3.316 50 0 HGAALO Cn1ncc2c1nc[nH+]c2SCCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000011685853 559177131 /nfs/dbraw/zinc/17/71/31/559177131.db2.gz UHDKGPSNZNPHHF-UHFFFAOYSA-N 1 2 403.316 3.236 50 0 HGAALO Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC[NH+]2CCOCC2)cc1C ZINC000023882474 559181517 /nfs/dbraw/zinc/18/15/17/559181517.db2.gz ODNAYJRCRDRTSL-UHFFFAOYSA-N 1 2 418.541 3.277 50 0 HGAALO O=C(c1ccc2c(c1)OCO2)N1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695709 559188946 /nfs/dbraw/zinc/18/89/46/559188946.db2.gz FQGIHWKNJNPVAT-UHFFFAOYSA-N 1 2 410.861 3.217 50 0 HGAALO CC[C@@]1(O)CCCN(C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)C1 ZINC000426504121 559274508 /nfs/dbraw/zinc/27/45/08/559274508.db2.gz WFKHHLPCFIWFIE-OAQYLSRUSA-N 1 2 403.548 3.288 50 0 HGAALO CC[C@@]1(O)CCCN(C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)C1 ZINC000426504121 559274509 /nfs/dbraw/zinc/27/45/09/559274509.db2.gz WFKHHLPCFIWFIE-OAQYLSRUSA-N 1 2 403.548 3.288 50 0 HGAALO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C[C@H]1C ZINC000252512769 559278041 /nfs/dbraw/zinc/27/80/41/559278041.db2.gz VKGQRORNDPCRHO-MSOLQXFVSA-N 1 2 400.544 3.215 50 0 HGAALO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C[C@H]1C ZINC000252512769 559278044 /nfs/dbraw/zinc/27/80/44/559278044.db2.gz VKGQRORNDPCRHO-MSOLQXFVSA-N 1 2 400.544 3.215 50 0 HGAALO CCOC(=O)Cc1cs/c(=N\c2ccc(C)c(C)c2)n1CCC[NH+]1CCOCC1 ZINC000005299003 560563975 /nfs/dbraw/zinc/56/39/75/560563975.db2.gz XFMVUNJOVIALMK-FCQUAONHSA-N 1 2 417.575 3.227 50 0 HGAALO COc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCO[C@@H](C)C4)[nH+]c3)cc2c1 ZINC000046717389 560842834 /nfs/dbraw/zinc/84/28/34/560842834.db2.gz DYEWLINVUKBKGN-HNNXBMFYSA-N 1 2 406.486 3.102 50 0 HGAALO C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4Cl)n[nH]3)c[nH+]2)CCO1 ZINC000046720660 560844004 /nfs/dbraw/zinc/84/40/04/560844004.db2.gz GAQVEJLQCMEGGS-AWEZNQCLSA-N 1 2 411.893 3.280 50 0 HGAALO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022907413 568415747 /nfs/dbraw/zinc/41/57/47/568415747.db2.gz RAGJGWAXYSPOSM-OAQYLSRUSA-N 1 2 403.482 3.442 50 0 HGAALO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022907413 568415748 /nfs/dbraw/zinc/41/57/48/568415748.db2.gz RAGJGWAXYSPOSM-OAQYLSRUSA-N 1 2 403.482 3.442 50 0 HGAALO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907402 568415826 /nfs/dbraw/zinc/41/58/26/568415826.db2.gz MLVPGILTRBBBJA-OAQYLSRUSA-N 1 2 403.482 3.442 50 0 HGAALO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907402 568415827 /nfs/dbraw/zinc/41/58/27/568415827.db2.gz MLVPGILTRBBBJA-OAQYLSRUSA-N 1 2 403.482 3.442 50 0 HGAALO O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000048091850 568431979 /nfs/dbraw/zinc/43/19/79/568431979.db2.gz PJGMJFSDSDGVPB-INIZCTEOSA-N 1 2 414.449 3.379 50 0 HGAALO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(N2CCCCC2)nc1 ZINC000048231351 568433409 /nfs/dbraw/zinc/43/34/09/568433409.db2.gz MJTDKIRJLFOCNE-OAQYLSRUSA-N 1 2 409.534 3.094 50 0 HGAALO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(N2CCCCC2)nc1 ZINC000048231351 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2 419.529 3.306 50 0 HGAALO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000054004011 526632357 /nfs/dbraw/zinc/63/23/57/526632357.db2.gz JKTAOYBTQORWDS-HXUWFJFHSA-N 1 2 408.995 3.476 50 0 HGAALO O=C(COc1ccc(Cl)cc1Br)NCc1cccnc1-n1cc[nH+]c1 ZINC000032778087 526954189 /nfs/dbraw/zinc/95/41/89/526954189.db2.gz SLFTXBSWZIOSJV-UHFFFAOYSA-N 1 2 421.682 3.378 50 0 HGAALO O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)NCC(F)(F)F ZINC000022883185 527083080 /nfs/dbraw/zinc/08/30/80/527083080.db2.gz KPPNIYBFJYKXFI-UHFFFAOYSA-N 1 2 413.469 3.024 50 0 HGAALO Cc1[nH+]c2ccccc2n1CCC(=O)NCc1nnc2ccc(-c3cccs3)nn21 ZINC000225763851 527164992 /nfs/dbraw/zinc/16/49/92/527164992.db2.gz LAMNNLJSIAFXMK-UHFFFAOYSA-N 1 2 417.498 3.217 50 0 HGAALO Cn1ncc2c1nc[nH+]c2SCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000032883941 527588267 /nfs/dbraw/zinc/58/82/67/527588267.db2.gz PJHOEOSMMDDXGB-UHFFFAOYSA-N 1 2 424.555 3.471 50 0 HGAALO COc1ccccc1N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2C)CC1 ZINC000009573688 537072179 /nfs/dbraw/zinc/07/21/79/537072179.db2.gz WCYMZGBRFVGEJB-UHFFFAOYSA-N 1 2 400.486 3.459 50 0 HGAALO CCCNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000034678156 557366361 /nfs/dbraw/zinc/36/63/61/557366361.db2.gz RUXKPCGLHAVEJF-UHFFFAOYSA-N 1 2 410.440 3.151 50 0 HGAALO CCNC(=O)NC[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000034857474 557477543 /nfs/dbraw/zinc/47/75/43/557477543.db2.gz AQLXZCYWVVEPNF-HXUWFJFHSA-N 1 2 413.518 3.131 50 0 HGAALO CCNC(=O)NC[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000034857474 557477546 /nfs/dbraw/zinc/47/75/46/557477546.db2.gz AQLXZCYWVVEPNF-HXUWFJFHSA-N 1 2 413.518 3.131 50 0 HGAALO CCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697149 557784029 /nfs/dbraw/zinc/78/40/29/557784029.db2.gz CDJMOYGVVOKEKJ-HSZRJFAPSA-N 1 2 422.504 3.328 50 0 HGAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000008432747 557788619 /nfs/dbraw/zinc/78/86/19/557788619.db2.gz GPDGDYJLRBCXOU-GOSISDBHSA-N 1 2 421.394 3.299 50 0 HGAALO CC(C)(C)NC(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000022851299 557839376 /nfs/dbraw/zinc/83/93/76/557839376.db2.gz PSPWEZNVLUFDOC-HXUWFJFHSA-N 1 2 424.545 3.376 50 0 HGAALO CCOc1ccccc1CN1CC[N@H+](Cc2cccn2-c2ccccn2)C[C@@H]1CCO ZINC000019772215 558280333 /nfs/dbraw/zinc/28/03/33/558280333.db2.gz XLAYNHDBRJPLJP-QFIPXVFZSA-N 1 2 420.557 3.340 50 0 HGAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cccn2-c2ccccn2)C[C@@H]1CCO ZINC000019772215 558280336 /nfs/dbraw/zinc/28/03/36/558280336.db2.gz XLAYNHDBRJPLJP-QFIPXVFZSA-N 1 2 420.557 3.340 50 0 HGAALO CCOc1cc(CN2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)ccc1OC ZINC000019851049 558295600 /nfs/dbraw/zinc/29/56/00/558295600.db2.gz LTGXRWFAYVTBHJ-UHFFFAOYSA-N 1 2 400.519 3.429 50 0 biogenic HGAALO CCOc1cc(C[NH+]2CCN(Cc3ccc(OC)c(OC)c3)CC2)ccc1OC ZINC000019851049 558295602 /nfs/dbraw/zinc/29/56/02/558295602.db2.gz LTGXRWFAYVTBHJ-UHFFFAOYSA-N 1 2 400.519 3.429 50 0 biogenic HGAALO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCN(c2cc(C)cc(C)c2)CC1 ZINC000019999746 558317840 /nfs/dbraw/zinc/31/78/40/558317840.db2.gz BSUNRQPXTYUPSU-JOCHJYFZSA-N 1 2 412.530 3.077 50 0 HGAALO OCC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCN1Cc1ccsc1 ZINC000020109957 558335263 /nfs/dbraw/zinc/33/52/63/558335263.db2.gz KTIPLAXMQNQAEB-HXUWFJFHSA-N 1 2 400.523 3.346 50 0 HGAALO OCC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCN1Cc1ccsc1 ZINC000020109957 558335267 /nfs/dbraw/zinc/33/52/67/558335267.db2.gz KTIPLAXMQNQAEB-HXUWFJFHSA-N 1 2 400.523 3.346 50 0 HGAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)Nc4cccc(F)c4)CC3)c2c1 ZINC000020213171 558347832 /nfs/dbraw/zinc/34/78/32/558347832.db2.gz JSXXLOUPLKYVCQ-UHFFFAOYSA-N 1 2 423.488 3.251 50 0 HGAALO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCC[NH+]1CCOCC1 ZINC000020219625 558348567 /nfs/dbraw/zinc/34/85/67/558348567.db2.gz CYDYYGALNNNRAW-OAQYLSRUSA-N 1 2 422.456 3.200 50 0 HGAALO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000020322765 558355362 /nfs/dbraw/zinc/35/53/62/558355362.db2.gz NTTQUKNFSBJQNG-KRWDZBQOSA-N 1 2 405.949 3.308 50 0 HGAALO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000020322765 558355364 /nfs/dbraw/zinc/35/53/64/558355364.db2.gz NTTQUKNFSBJQNG-KRWDZBQOSA-N 1 2 405.949 3.308 50 0 HGAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000022928894 558365453 /nfs/dbraw/zinc/36/54/53/558365453.db2.gz PANHQWMOSYVCBO-NHCUHLMSSA-N 1 2 422.573 3.125 50 0 HGAALO CCS(=O)(=O)c1ncc(C[N@@H+]2CCCC[C@@H]2CCOC)n1CCc1ccccc1 ZINC000012300348 558370302 /nfs/dbraw/zinc/37/03/02/558370302.db2.gz USOJSVWSXQDJPR-HXUWFJFHSA-N 1 2 419.591 3.310 50 0 HGAALO CCS(=O)(=O)c1ncc(C[N@H+]2CCCC[C@@H]2CCOC)n1CCc1ccccc1 ZINC000012300348 558370305 /nfs/dbraw/zinc/37/03/05/558370305.db2.gz USOJSVWSXQDJPR-HXUWFJFHSA-N 1 2 419.591 3.310 50 0 HGAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](C(=O)c2cc(Cl)ccc2OC)C1 ZINC000012316445 558379796 /nfs/dbraw/zinc/37/97/96/558379796.db2.gz IINXABFVWMGUKW-ZDUSSCGKSA-N 1 2 405.882 3.343 50 0 HGAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](C(=O)c2cc(Cl)ccc2OC)C1 ZINC000012316445 558379799 /nfs/dbraw/zinc/37/97/99/558379799.db2.gz IINXABFVWMGUKW-ZDUSSCGKSA-N 1 2 405.882 3.343 50 0 HGAALO O=C1c2ccccc2C(=O)N1CN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000020613965 558391786 /nfs/dbraw/zinc/39/17/86/558391786.db2.gz SBFLMQBYRBVCFJ-UHFFFAOYSA-N 1 2 403.404 3.077 50 0 HGAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2C2CC2)CC1 ZINC000021128446 558431720 /nfs/dbraw/zinc/43/17/20/558431720.db2.gz JZAGLRSXIXVIIB-AWEZNQCLSA-N 1 2 403.527 3.064 50 0 HGAALO CCc1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2cc(OC)cc(OC)c2)cc1 ZINC000010748631 558436273 /nfs/dbraw/zinc/43/62/73/558436273.db2.gz BDNBIPWUKILSBF-FQEVSTJZSA-N 1 2 415.515 3.068 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccccc1 ZINC000012629680 558441305 /nfs/dbraw/zinc/44/13/05/558441305.db2.gz OIRRLGMKYJDZAS-IBGZPJMESA-N 1 2 410.861 3.277 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccc(Cl)cc1 ZINC000021600957 558442875 /nfs/dbraw/zinc/44/28/75/558442875.db2.gz VWGDDWVTXWKZNX-FQEVSTJZSA-N 1 2 422.872 3.246 50 0 HGAALO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(C)(=O)=O)cc3)nc21 ZINC000005242620 558465244 /nfs/dbraw/zinc/46/52/44/558465244.db2.gz QOOWVVOGYUVUCY-UHFFFAOYSA-N 1 2 417.556 3.217 50 0 HGAALO Cc1ccc(CN2C[C@H](C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CC2=O)cc1 ZINC000022238200 558471431 /nfs/dbraw/zinc/47/14/31/558471431.db2.gz SGIVTTMZTUDHNQ-GOSISDBHSA-N 1 2 412.559 3.425 50 0 HGAALO Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)c12 ZINC000022507079 558492502 /nfs/dbraw/zinc/49/25/02/558492502.db2.gz AYHGWHOZDSVCPC-UHFFFAOYSA-N 1 2 421.545 3.162 50 0 HGAALO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3cccc(Cl)c3)C1=O)CC2 ZINC000022609266 558501103 /nfs/dbraw/zinc/50/11/03/558501103.db2.gz OQHXYMGBVFRLDG-KRWDZBQOSA-N 1 2 400.862 3.047 50 0 HGAALO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3cccc(Cl)c3)C1=O)CC2 ZINC000022609266 558501104 /nfs/dbraw/zinc/50/11/04/558501104.db2.gz OQHXYMGBVFRLDG-KRWDZBQOSA-N 1 2 400.862 3.047 50 0 HGAALO Cc1ccc2[nH+]c(CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)cn2c1 ZINC000013061033 558509653 /nfs/dbraw/zinc/50/96/53/558509653.db2.gz QRCIPXJSBDRAJE-UHFFFAOYSA-N 1 2 412.559 3.273 50 0 HGAALO O=C(CSc1nc(CCC2CCCC2)n[nH]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000023080919 558533914 /nfs/dbraw/zinc/53/39/14/558533914.db2.gz BJTJTHUFKMANSM-LJQANCHMSA-N 1 2 413.591 3.410 50 0 HGAALO O=C(CSc1nc(CCC2CCCC2)n[nH]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023080919 558533915 /nfs/dbraw/zinc/53/39/15/558533915.db2.gz BJTJTHUFKMANSM-LJQANCHMSA-N 1 2 413.591 3.410 50 0 HGAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)C1=Cc2cc(Cl)ccc2OC1 ZINC000023199855 558542346 /nfs/dbraw/zinc/54/23/46/558542346.db2.gz HSQZZXQEGPJHIW-QGZVFWFLSA-N 1 2 404.919 3.367 50 0 HGAALO O=C(CC[C@H]1CCCN(C(=O)C2=CCCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000013596867 558547438 /nfs/dbraw/zinc/54/74/38/558547438.db2.gz YEZHJFKPYKQBHQ-HXUWFJFHSA-N 1 2 410.562 3.249 50 0 HGAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CN2C(=O)NC3(CCCCCC3)C2=O)c1 ZINC000023673953 558567006 /nfs/dbraw/zinc/56/70/06/558567006.db2.gz YDSXIOXNYRXAIF-GOSISDBHSA-N 1 2 401.507 3.443 50 0 HGAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CN2C(=O)NC3(CCCCCC3)C2=O)c1 ZINC000023673953 558567009 /nfs/dbraw/zinc/56/70/09/558567009.db2.gz YDSXIOXNYRXAIF-GOSISDBHSA-N 1 2 401.507 3.443 50 0 HGAALO C[C@H](OC[C@H](O)C[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000013683055 558567770 /nfs/dbraw/zinc/56/77/70/558567770.db2.gz KTOLXAREESXCQJ-WMLDXEAASA-N 1 2 401.894 3.147 50 0 HGAALO C[C@H](OC[C@H](O)C[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000013683055 558567771 /nfs/dbraw/zinc/56/77/71/558567771.db2.gz KTOLXAREESXCQJ-WMLDXEAASA-N 1 2 401.894 3.147 50 0 HGAALO O=C(CCc1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023989956 558583777 /nfs/dbraw/zinc/58/37/77/558583777.db2.gz GZXFZOSNEYRTPP-UHFFFAOYSA-N 1 2 424.526 3.010 50 0 HGAALO COc1cccc([C@H](NC(=O)CCc2nnc(-c3ccccc3)o2)c2[nH+]ccn2C)c1 ZINC000024019564 558584778 /nfs/dbraw/zinc/58/47/78/558584778.db2.gz OMPVWIWSMCOFJZ-NRFANRHFSA-N 1 2 417.469 3.317 50 0 HGAALO O=C(c1cccc(Br)c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024136027 558590056 /nfs/dbraw/zinc/59/00/56/558590056.db2.gz VHVPWWFHICITGL-UHFFFAOYSA-N 1 2 401.304 3.342 50 0 HGAALO O=S(=O)(c1ccc(F)cc1F)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000024292896 558594320 /nfs/dbraw/zinc/59/43/20/558594320.db2.gz HEUMYLUCTMLXOM-UHFFFAOYSA-N 1 2 403.454 3.020 50 0 HGAALO Clc1ccccc1C[N@@H+]1CCO[C@@H](CSc2nnnn2Cc2ccccc2)C1 ZINC000014094938 558619725 /nfs/dbraw/zinc/61/97/25/558619725.db2.gz OLABRRRKCCAKIT-GOSISDBHSA-N 1 2 415.950 3.368 50 0 HGAALO Clc1ccccc1C[N@H+]1CCO[C@@H](CSc2nnnn2Cc2ccccc2)C1 ZINC000014094938 558619727 /nfs/dbraw/zinc/61/97/27/558619727.db2.gz OLABRRRKCCAKIT-GOSISDBHSA-N 1 2 415.950 3.368 50 0 HGAALO COc1ccc2c(CC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)coc2c1 ZINC000014227748 558639160 /nfs/dbraw/zinc/63/91/60/558639160.db2.gz WOWOFBYCOKWOMC-UHFFFAOYSA-N 1 2 408.454 3.057 50 0 HGAALO COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)CC3 ZINC000025455296 558641556 /nfs/dbraw/zinc/64/15/56/558641556.db2.gz MMYJVZXITOSSET-UHFFFAOYSA-N 1 2 400.438 3.339 50 0 HGAALO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000025685725 558647805 /nfs/dbraw/zinc/64/78/05/558647805.db2.gz FSXOGUQMHBZTQL-PGRDOPGGSA-N 1 2 402.560 3.240 50 0 HGAALO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000014255291 558651357 /nfs/dbraw/zinc/65/13/57/558651357.db2.gz RFNVUXMPHHEGBJ-HXUWFJFHSA-N 1 2 414.303 3.232 50 0 HGAALO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@H+]2CCc3ccccc3C2)C1=O ZINC000014255291 558651360 /nfs/dbraw/zinc/65/13/60/558651360.db2.gz RFNVUXMPHHEGBJ-HXUWFJFHSA-N 1 2 414.303 3.232 50 0 HGAALO O=C(Cc1ccccc1F)N1CCC[N@@H+](Cc2nc(-c3cccc(F)c3)no2)CC1 ZINC000065172383 558652171 /nfs/dbraw/zinc/65/21/71/558652171.db2.gz KZLPBYMRHDTVMZ-UHFFFAOYSA-N 1 2 412.440 3.292 50 0 HGAALO O=C(Cc1ccccc1F)N1CCC[N@H+](Cc2nc(-c3cccc(F)c3)no2)CC1 ZINC000065172383 558652173 /nfs/dbraw/zinc/65/21/73/558652173.db2.gz KZLPBYMRHDTVMZ-UHFFFAOYSA-N 1 2 412.440 3.292 50 0 HGAALO CCOC(=O)c1oc2ccc(Cl)cc2c1C[NH+]1CCN(c2ncccn2)CC1 ZINC000015017624 558702729 /nfs/dbraw/zinc/70/27/29/558702729.db2.gz KTRXXRHBKRHNBM-UHFFFAOYSA-N 1 2 400.866 3.375 50 0 HGAALO Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1 ZINC000029322321 558713478 /nfs/dbraw/zinc/71/34/78/558713478.db2.gz YBAWSNKVBCVNGT-QFBILLFUSA-N 1 2 412.877 3.302 50 0 HGAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)[nH]n2)cc1 ZINC000029893731 558723493 /nfs/dbraw/zinc/72/34/93/558723493.db2.gz SXTNHVQEZYHXCO-UHFFFAOYSA-N 1 2 404.470 3.072 50 0 HGAALO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+](C)C)o1 ZINC000015860373 558757926 /nfs/dbraw/zinc/75/79/26/558757926.db2.gz AXVVHFKNTKWNBK-AWEZNQCLSA-N 1 2 419.275 3.490 50 0 HGAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc4ccccc43)c2)CC1 ZINC000034863252 558785738 /nfs/dbraw/zinc/78/57/38/558785738.db2.gz JTWMXZXTXXHGNA-UHFFFAOYSA-N 1 2 409.511 3.028 50 0 HGAALO COc1ccc([C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2[nH+]ccn2C)cc1 ZINC000016473548 558793054 /nfs/dbraw/zinc/79/30/54/558793054.db2.gz NUYBKCFGYRLXJZ-OAQYLSRUSA-N 1 2 404.470 3.075 50 0 HGAALO COc1ccc(OC)c(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1 ZINC000039442758 558821348 /nfs/dbraw/zinc/82/13/48/558821348.db2.gz VJPXIMNGJORIPN-GOSISDBHSA-N 1 2 406.473 3.051 50 0 HGAALO COc1ccc(OC)c(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1 ZINC000039442758 558821350 /nfs/dbraw/zinc/82/13/50/558821350.db2.gz VJPXIMNGJORIPN-GOSISDBHSA-N 1 2 406.473 3.051 50 0 HGAALO Cc1nn(Cc2ccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)cc2)c(C)c1Br ZINC000017093442 558822002 /nfs/dbraw/zinc/82/20/02/558822002.db2.gz OKERXUSXLRZMPS-UHFFFAOYSA-N 1 2 423.278 3.292 50 0 HGAALO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4nc5ccccc5s4)CC3)C2=O)c(C)c1 ZINC000018284319 558835520 /nfs/dbraw/zinc/83/55/20/558835520.db2.gz FEPBIHQIMZOVIP-IBGZPJMESA-N 1 2 420.538 3.367 50 0 HGAALO 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HGAALO CC[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCO2)C[C@@H]1COc2ccccc2O1 ZINC000012971938 569041297 /nfs/dbraw/zinc/04/12/97/569041297.db2.gz QLSTYQCVMOMCBL-CYBMUJFWSA-N 1 2 404.850 3.169 50 0 HGAALO CC[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCO2)C[C@@H]1COc2ccccc2O1 ZINC000012971938 569041298 /nfs/dbraw/zinc/04/12/98/569041298.db2.gz QLSTYQCVMOMCBL-CYBMUJFWSA-N 1 2 404.850 3.169 50 0 HGAALO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000242302419 569055009 /nfs/dbraw/zinc/05/50/09/569055009.db2.gz YSLBWRPUMNMGPC-VQISRLSMSA-N 1 2 403.832 3.416 50 0 HGAALO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000242302419 569055010 /nfs/dbraw/zinc/05/50/10/569055010.db2.gz YSLBWRPUMNMGPC-VQISRLSMSA-N 1 2 403.832 3.416 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245246108 569055372 /nfs/dbraw/zinc/05/53/72/569055372.db2.gz IPYORVPWOXDUSZ-OKYOBFRVSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245246108 569055373 /nfs/dbraw/zinc/05/53/73/569055373.db2.gz IPYORVPWOXDUSZ-OKYOBFRVSA-N 1 2 412.848 3.314 50 0 HGAALO CCc1nnc(CNC(=O)c2csc3c2CC[N@H+](Cc2ccc(CC)cn2)C3)o1 ZINC000426409521 569072756 /nfs/dbraw/zinc/07/27/56/569072756.db2.gz UFSBLMWWUJMBOS-UHFFFAOYSA-N 1 2 411.531 3.139 50 0 HGAALO CCc1nnc(CNC(=O)c2csc3c2CC[N@@H+](Cc2ccc(CC)cn2)C3)o1 ZINC000426409521 569072757 /nfs/dbraw/zinc/07/27/57/569072757.db2.gz UFSBLMWWUJMBOS-UHFFFAOYSA-N 1 2 411.531 3.139 50 0 HGAALO CC[C@H](C)CN1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)NC(C)(C)C)CC2 ZINC000036026794 569079828 /nfs/dbraw/zinc/07/98/28/569079828.db2.gz WVNIELCBHYWVMH-AZUAARDMSA-N 1 2 414.594 3.376 50 0 HGAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccc2c(c1)OCCCO2)OCCO3 ZINC000064795066 569096223 /nfs/dbraw/zinc/09/62/23/569096223.db2.gz CZRVUOPXNJIDTF-UHFFFAOYSA-N 1 2 409.442 3.170 50 0 HGAALO CC1CCN(C(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000036250420 569119359 /nfs/dbraw/zinc/11/93/59/569119359.db2.gz KCQCEGZESYNXDZ-HXUWFJFHSA-N 1 2 403.592 3.323 50 0 HGAALO CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000169681410 569127479 /nfs/dbraw/zinc/12/74/79/569127479.db2.gz VYZVAVAXQNITGU-SFHVURJKSA-N 1 2 423.561 3.316 50 0 HGAALO COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000169681430 569127496 /nfs/dbraw/zinc/12/74/96/569127496.db2.gz PYRHNDHZIPAPIZ-UHFFFAOYSA-N 1 2 406.530 3.441 50 0 HGAALO COc1ccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000036311559 569133242 /nfs/dbraw/zinc/13/32/42/569133242.db2.gz KCLMHWCFXRUNFU-FQEVSTJZSA-N 1 2 401.551 3.383 50 0 HGAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCN(c3cccc(OC)c3)CC2)c1C ZINC000036385050 569159865 /nfs/dbraw/zinc/15/98/65/569159865.db2.gz IUZYESXTIAJOOK-KRWDZBQOSA-N 1 2 413.518 3.210 50 0 HGAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)nc[nH+]1 ZINC000065242427 569204679 /nfs/dbraw/zinc/20/46/79/569204679.db2.gz YCFUEQPAJBLZBC-IBGZPJMESA-N 1 2 410.566 3.391 50 0 HGAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)[nH+]cn1 ZINC000065242427 569204681 /nfs/dbraw/zinc/20/46/81/569204681.db2.gz YCFUEQPAJBLZBC-IBGZPJMESA-N 1 2 410.566 3.391 50 0 HGAALO CCCNc1cc(N2CCC(CCC(=O)N(C)CCc3ccccn3)CC2)nc[nH+]1 ZINC000065274235 569214856 /nfs/dbraw/zinc/21/48/56/569214856.db2.gz OTUTTZWLCVYYBL-UHFFFAOYSA-N 1 2 410.566 3.391 50 0 HGAALO CCCNc1cc(N2CCC(CCC(=O)N(C)CCc3ccccn3)CC2)[nH+]cn1 ZINC000065274235 569214858 /nfs/dbraw/zinc/21/48/58/569214858.db2.gz OTUTTZWLCVYYBL-UHFFFAOYSA-N 1 2 410.566 3.391 50 0 HGAALO CCNc1cc(N2CCC(CCC(=O)NCc3ccc(F)cc3F)CC2)nc[nH+]1 ZINC000065274033 569214977 /nfs/dbraw/zinc/21/49/77/569214977.db2.gz XMLZZSIVYUQKMI-UHFFFAOYSA-N 1 2 403.477 3.500 50 0 HGAALO CCNc1cc(N2CCC(CCC(=O)NCc3ccc(F)cc3F)CC2)[nH+]cn1 ZINC000065274033 569214978 /nfs/dbraw/zinc/21/49/78/569214978.db2.gz XMLZZSIVYUQKMI-UHFFFAOYSA-N 1 2 403.477 3.500 50 0 HGAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000065295956 569218865 /nfs/dbraw/zinc/21/88/65/569218865.db2.gz SZICKFPELRIQLU-UHFFFAOYSA-N 1 2 406.412 3.008 50 0 HGAALO O=C(c1ccn2c(c1)nnc2-c1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065296154 569218903 /nfs/dbraw/zinc/21/89/03/569218903.db2.gz ANMAXJTXGREDEY-UHFFFAOYSA-N 1 2 418.888 3.407 50 0 HGAALO COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=S)n(C3CCCCC3)c1=O)[NH2+]CC2 ZINC000017197452 569276508 /nfs/dbraw/zinc/27/65/08/569276508.db2.gz XJUKIFZZMNYBHQ-SFHVURJKSA-N 1 2 417.531 3.369 50 0 HGAALO COc1cc2c(cc1OC)[C@@H](c1c(=O)[nH]c(=S)n(C3CCCCC3)c1O)[NH2+]CC2 ZINC000017197452 569276510 /nfs/dbraw/zinc/27/65/10/569276510.db2.gz XJUKIFZZMNYBHQ-SFHVURJKSA-N 1 2 417.531 3.369 50 0 HGAALO Cn1cc(C(=O)NCC2CCN(c3cc(C(C)(C)C)[nH+]c(C(C)(C)C)n3)CC2)cn1 ZINC000079111762 569428077 /nfs/dbraw/zinc/42/80/77/569428077.db2.gz GQTAMHNTESKDHD-UHFFFAOYSA-N 1 2 412.582 3.452 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)c3cccc4c3ccn4C)CC2)c(OC)c1OC ZINC000079492535 569432484 /nfs/dbraw/zinc/43/24/84/569432484.db2.gz QCOSLXIJBODXQV-UHFFFAOYSA-N 1 2 423.513 3.162 50 0 HGAALO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000040058841 571146306 /nfs/dbraw/zinc/14/63/06/571146306.db2.gz RFXDTAZBANPUQD-UHFFFAOYSA-N 1 2 410.518 3.316 50 0 HGAALO COc1ccc(-c2nc(CN3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)no2)cc1 ZINC000040066957 571148052 /nfs/dbraw/zinc/14/80/52/571148052.db2.gz VXAUKXPGHJLKFX-UHFFFAOYSA-N 1 2 408.506 3.289 50 0 HGAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000040122095 571178030 /nfs/dbraw/zinc/17/80/30/571178030.db2.gz VDCUJCCRGNIPDM-LJQANCHMSA-N 1 2 410.518 3.224 50 0 HGAALO C[C@H](Oc1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cn1)c1ccccc1 ZINC000040132329 571184725 /nfs/dbraw/zinc/18/47/25/571184725.db2.gz NHHHMUJBIUYTII-SFHVURJKSA-N 1 2 418.497 3.383 50 0 HGAALO C[C@@H](Oc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cn1)c1ccccc1 ZINC000040133031 571185726 /nfs/dbraw/zinc/18/57/26/571185726.db2.gz SOOMPCLPLBPLDL-GOSISDBHSA-N 1 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O=C(CCC(=O)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1)c1ccccc1 ZINC000077158627 571311791 /nfs/dbraw/zinc/31/17/91/571311791.db2.gz YKDVJNIXQDMTEK-UHFFFAOYSA-N 1 2 416.525 3.357 50 0 HGAALO COc1ccccc1CNC(=O)C1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724215 571315029 /nfs/dbraw/zinc/31/50/29/571315029.db2.gz OZBUPFLDRPWBCI-UHFFFAOYSA-N 1 2 424.476 3.413 50 0 HGAALO COc1ccc(C[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1F ZINC000001123862 132238205 /nfs/dbraw/zinc/23/82/05/132238205.db2.gz RNJYPNNAMQWUOF-UHFFFAOYSA-N 1 2 418.476 3.285 50 0 HGAALO Cc1cc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)cc1Br ZINC000004833294 132290063 /nfs/dbraw/zinc/29/00/63/132290063.db2.gz PRXPBNDICXFDPX-UHFFFAOYSA-N 1 2 404.308 3.189 50 0 HGAALO O=C(CC[C@@H]1CCCN(C(=O)C2CCCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000011844599 132351319 /nfs/dbraw/zinc/35/13/19/132351319.db2.gz WHEVQPUQZPRLKI-FQEVSTJZSA-N 1 2 412.578 3.329 50 0 HGAALO CC(=O)N1CCN(c2ncccc2C[NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000020541163 519594319 /nfs/dbraw/zinc/59/43/19/519594319.db2.gz HHDZYDMARWKHHQ-UHFFFAOYSA-N 1 2 407.543 3.163 50 0 HGAALO CCOC(=O)CCCCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000045264227 520626143 /nfs/dbraw/zinc/62/61/43/520626143.db2.gz XRHBNICSMKTFKF-LJQANCHMSA-N 1 2 404.486 3.461 50 0 HGAALO CCOC(=O)c1ccc(N2CC[NH+]([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)nc1 ZINC000025494501 521487382 /nfs/dbraw/zinc/48/73/82/521487382.db2.gz GRQVUJZGPHKOHQ-QGZVFWFLSA-N 1 2 421.501 3.500 50 0 HGAALO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3CCOCC3)c(C)c2O)cc1 ZINC000020590300 523082370 /nfs/dbraw/zinc/08/23/70/523082370.db2.gz PMWDWXJCOVQICT-UHFFFAOYSA-N 1 2 409.486 3.477 50 0 HGAALO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000024097001 523809568 /nfs/dbraw/zinc/80/95/68/523809568.db2.gz IGEGDIBAFYHTKD-UHFFFAOYSA-N 1 2 407.514 3.088 50 0 HGAALO COc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c2[nH+]ccn2C)c1 ZINC000032802452 524099684 /nfs/dbraw/zinc/09/96/84/524099684.db2.gz MPVWYRUQWSFXAW-VBKZILBWSA-N 1 2 408.458 3.307 50 0 HGAALO C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(C(F)(F)F)cc3)c[nH+]2)CCO1 ZINC000044552859 524669229 /nfs/dbraw/zinc/66/92/29/524669229.db2.gz XBBBWDWBYWTAPV-AWEZNQCLSA-N 1 2 409.408 3.021 50 0 HGAALO COc1ccc([C@H](NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c2[nH+]ccn2C)cc1 ZINC000032495931 525369713 /nfs/dbraw/zinc/36/97/13/525369713.db2.gz YOJKVFAGYCLAIY-SFTDATJTSA-N 1 2 420.513 3.089 50 0 HGAALO C[C@@H]1NC(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)=NN(c2ccccc2)C1=O ZINC000032830088 525549607 /nfs/dbraw/zinc/54/96/07/525549607.db2.gz RFKLSVRVYSTBSQ-ZDUSSCGKSA-N 1 2 404.474 3.137 50 0 HGAALO Cc1cc2oc(=O)cc(CN3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)c2cc1C(C)C ZINC000032869522 525691070 /nfs/dbraw/zinc/69/10/70/525691070.db2.gz NXORGZFKXZNMPA-QGZVFWFLSA-N 1 2 411.546 3.010 50 0 HGAALO Cc1cc2oc(=O)cc(C[NH+]3CCN([C@H](C)C(=O)NC4CC4)CC3)c2cc1C(C)C ZINC000032869522 525691080 /nfs/dbraw/zinc/69/10/80/525691080.db2.gz NXORGZFKXZNMPA-QGZVFWFLSA-N 1 2 411.546 3.010 50 0 HGAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032860079 526749619 /nfs/dbraw/zinc/74/96/19/526749619.db2.gz RLMIDNBDEOBRIA-NRFANRHFSA-N 1 2 420.488 3.239 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(Cl)cc1F ZINC000022805347 526774720 /nfs/dbraw/zinc/77/47/20/526774720.db2.gz CMGYRFGQBOQLAK-UHFFFAOYSA-N 1 2 403.885 3.170 50 0 HGAALO O=S(=O)(NC1CC[NH+](Cc2ccccc2Br)CC1)c1cccs1 ZINC000032865315 527209583 /nfs/dbraw/zinc/20/95/83/527209583.db2.gz FXAKIDLRMUEPMO-UHFFFAOYSA-N 1 2 415.378 3.454 50 0 HGAALO COc1ccc(C[NH+]2CCN(Cc3nc(C(=O)Nc4ccc(F)cc4)co3)CC2)cc1 ZINC000034678033 557366013 /nfs/dbraw/zinc/36/60/13/557366013.db2.gz MOFOWQDTUNTRCO-UHFFFAOYSA-N 1 2 424.476 3.392 50 0 HGAALO CN(C)c1nc(N2CCCC2)[nH+]c2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000034678664 557366960 /nfs/dbraw/zinc/36/69/60/557366960.db2.gz NLCTWNHWBFCOKA-UHFFFAOYSA-N 1 2 419.451 3.360 50 0 HGAALO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+]3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000004196910 557527934 /nfs/dbraw/zinc/52/79/34/557527934.db2.gz TVNNZYVGXKYICJ-OAQYLSRUSA-N 1 2 422.456 3.424 50 0 aggregator HGAALO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000004196910 557527939 /nfs/dbraw/zinc/52/79/39/557527939.db2.gz TVNNZYVGXKYICJ-OAQYLSRUSA-N 1 2 422.456 3.424 50 0 aggregator HGAALO Cc1cccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)N(C)C3CCCCC3)CC2)c1C ZINC000022783487 557819925 /nfs/dbraw/zinc/81/99/25/557819925.db2.gz UZQLZEALWPFMKQ-HXUWFJFHSA-N 1 2 414.594 3.039 50 0 HGAALO COc1ccc(-c2noc(CN3CC[NH+](CCOc4ccccc4F)CC3)n2)cc1 ZINC000022825946 557834105 /nfs/dbraw/zinc/83/41/05/557834105.db2.gz VJDFFHYLKDQMLW-UHFFFAOYSA-N 1 2 412.465 3.081 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[NH+]1CCC(C(=O)OC)CC1)S2 ZINC000022853638 557840287 /nfs/dbraw/zinc/84/02/87/557840287.db2.gz WLCZUHHYLKPPGS-KRWDZBQOSA-N 1 2 414.531 3.342 50 0 HGAALO COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907188 557852891 /nfs/dbraw/zinc/85/28/91/557852891.db2.gz DVIDNCMVJBLZCH-OAQYLSRUSA-N 1 2 412.511 3.366 50 0 HGAALO COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907188 557852893 /nfs/dbraw/zinc/85/28/93/557852893.db2.gz DVIDNCMVJBLZCH-OAQYLSRUSA-N 1 2 412.511 3.366 50 0 HGAALO O=C(Nc1ccccc1C(=O)NCCCn1cc[nH+]c1)c1ccc(Br)o1 ZINC000010313227 557859108 /nfs/dbraw/zinc/85/91/08/557859108.db2.gz IDNSPIKYEHCNRL-UHFFFAOYSA-N 1 2 417.263 3.311 50 0 HGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@@H]1CCO ZINC000020201053 558345749 /nfs/dbraw/zinc/34/57/49/558345749.db2.gz SOXSCXCFBRXXEQ-QFIPXVFZSA-N 1 2 400.567 3.076 50 0 HGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@@H]1CCO ZINC000020201053 558345752 /nfs/dbraw/zinc/34/57/52/558345752.db2.gz SOXSCXCFBRXXEQ-QFIPXVFZSA-N 1 2 400.567 3.076 50 0 HGAALO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000020322760 558355317 /nfs/dbraw/zinc/35/53/17/558355317.db2.gz NTTQUKNFSBJQNG-QGZVFWFLSA-N 1 2 405.949 3.308 50 0 HGAALO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000020322760 558355319 /nfs/dbraw/zinc/35/53/19/558355319.db2.gz NTTQUKNFSBJQNG-QGZVFWFLSA-N 1 2 405.949 3.308 50 0 HGAALO CC(C)CCn1c(CN(Cc2[nH+]ccn2C)C(C)C)cnc1S(=O)(=O)C(C)C ZINC000012303249 558372973 /nfs/dbraw/zinc/37/29/73/558372973.db2.gz UKWHYFDHCOFUPH-UHFFFAOYSA-N 1 2 409.600 3.255 50 0 HGAALO Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)ccc12 ZINC000020622741 558394409 /nfs/dbraw/zinc/39/44/09/558394409.db2.gz DWBONPRHAALVNS-UHFFFAOYSA-N 1 2 422.481 3.260 50 0 HGAALO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH+]1CCSCC1 ZINC000020785846 558413779 /nfs/dbraw/zinc/41/37/79/558413779.db2.gz FIHAYXSHLFLPIV-UHFFFAOYSA-N 1 2 400.573 3.259 50 0 HGAALO Cc1[nH+]c2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1Br ZINC000012659178 558444707 /nfs/dbraw/zinc/44/47/07/558444707.db2.gz YREKVUBMGQSCES-UHFFFAOYSA-N 1 2 402.248 3.289 50 0 HGAALO Cc1cc2oc(C(=O)N3CC[NH+](CCc4ccccn4)CC3)cc(=O)c2cc1Cl ZINC000021659721 558444753 /nfs/dbraw/zinc/44/47/53/558444753.db2.gz PDHQBBLBJNKMFC-UHFFFAOYSA-N 1 2 411.889 3.150 50 0 HGAALO CN(C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)[C@H]1CCCc2ccccc21 ZINC000021972736 558456836 /nfs/dbraw/zinc/45/68/36/558456836.db2.gz GHULAZDUURVCAT-QFIPXVFZSA-N 1 2 421.541 3.069 50 0 HGAALO CN(C(=O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)[C@H]1CCCc2ccccc21 ZINC000021972736 558456840 /nfs/dbraw/zinc/45/68/40/558456840.db2.gz GHULAZDUURVCAT-QFIPXVFZSA-N 1 2 421.541 3.069 50 0 HGAALO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012806038 558473644 /nfs/dbraw/zinc/47/36/44/558473644.db2.gz VHGXSZZSMKKHLC-OAHLLOKOSA-N 1 2 401.457 3.320 50 0 HGAALO CCCn1c2ccccc2n(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1=O ZINC000022290415 558476439 /nfs/dbraw/zinc/47/64/39/558476439.db2.gz QUVMFLSIWTZIOF-UHFFFAOYSA-N 1 2 413.547 3.294 50 0 HGAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013038826 558505962 /nfs/dbraw/zinc/50/59/62/558505962.db2.gz FVBXTRWVHPKJPR-UHFFFAOYSA-N 1 2 401.392 3.283 50 0 HGAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013038826 558505964 /nfs/dbraw/zinc/50/59/64/558505964.db2.gz FVBXTRWVHPKJPR-UHFFFAOYSA-N 1 2 401.392 3.283 50 0 HGAALO Cc1oc(-c2cccs2)nc1CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000022912019 558519567 /nfs/dbraw/zinc/51/95/67/558519567.db2.gz LFJGGIPSTJHLFP-UHFFFAOYSA-N 1 2 402.564 3.232 50 0 HGAALO O=C([C@@H](c1ccccc1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1)N1CCCCC1 ZINC000022926298 558523241 /nfs/dbraw/zinc/52/32/41/558523241.db2.gz VWBKVGNQESJMBY-XMMPIXPASA-N 1 2 417.557 3.206 50 0 HGAALO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(Cn2ncc3ccccc3c2=O)CC1 ZINC000022932655 558525019 /nfs/dbraw/zinc/52/50/19/558525019.db2.gz HRLCDRPSNCPISK-MRXNPFEDSA-N 1 2 405.527 3.343 50 0 HGAALO CNC(=O)c1ccc(C[N@H+](CC(=O)N(C)Cc2ccsc2)Cc2ccco2)cc1 ZINC000023146214 558538374 /nfs/dbraw/zinc/53/83/74/558538374.db2.gz SJPDVABAYUFERS-UHFFFAOYSA-N 1 2 411.527 3.362 50 0 HGAALO CNC(=O)c1ccc(C[N@@H+](CC(=O)N(C)Cc2ccsc2)Cc2ccco2)cc1 ZINC000023146214 558538376 /nfs/dbraw/zinc/53/83/76/558538376.db2.gz SJPDVABAYUFERS-UHFFFAOYSA-N 1 2 411.527 3.362 50 0 HGAALO COc1ccc(-c2cc3ccc(OCC[NH+]4CCOCC4)cc3oc2=O)cc1OC ZINC000013623950 558550393 /nfs/dbraw/zinc/55/03/93/558550393.db2.gz BNCVVYPUEPAGPV-UHFFFAOYSA-N 1 2 411.454 3.188 50 0 HGAALO OCC[C@@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CCN1Cc1ccc(F)cc1 ZINC000023374345 558553967 /nfs/dbraw/zinc/55/39/67/558553967.db2.gz HUXXTRDVXKTDSN-HSZRJFAPSA-N 1 2 412.484 3.219 50 0 HGAALO OCC[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CCN1Cc1ccc(F)cc1 ZINC000023374345 558553971 /nfs/dbraw/zinc/55/39/71/558553971.db2.gz HUXXTRDVXKTDSN-HSZRJFAPSA-N 1 2 412.484 3.219 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)COc3ccccc3Cl)CC2)c1 ZINC000023424594 558557958 /nfs/dbraw/zinc/55/79/58/558557958.db2.gz ZZVPOMGJYVXEGW-UHFFFAOYSA-N 1 2 404.894 3.080 50 0 HGAALO O=c1c(Cl)c(NCC2([NH+]3CCOCC3)CCCCC2)cnn1-c1ccccc1 ZINC000023653248 558565147 /nfs/dbraw/zinc/56/51/47/558565147.db2.gz CTCNUKSKPSDGEC-UHFFFAOYSA-N 1 2 402.926 3.333 50 0 HGAALO O=C(C[C@H]1OC(=O)c2ccccc21)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000023732094 558571656 /nfs/dbraw/zinc/57/16/56/558571656.db2.gz HPRAFFYTVQHYBD-HXUWFJFHSA-N 1 2 414.889 3.165 50 0 HGAALO COc1ccc(CSC2=[NH+][C@H]3CS(=O)(=O)C[C@H]3N2CCc2ccccc2)cc1 ZINC000013692144 558573722 /nfs/dbraw/zinc/57/37/22/558573722.db2.gz FKHKGDFJKYSBFG-VQTJNVASSA-N 1 2 416.568 3.008 50 0 HGAALO O=C(Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1)c1ccco1 ZINC000023872981 558578660 /nfs/dbraw/zinc/57/86/60/558578660.db2.gz GADVCZUKCWFNJP-UHFFFAOYSA-N 1 2 419.481 3.294 50 0 HGAALO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](Cc2nc3ccccc3s2)CC1 ZINC000023883259 558580467 /nfs/dbraw/zinc/58/04/67/558580467.db2.gz SBIVSOVJEURGLV-UHFFFAOYSA-N 1 2 405.520 3.332 50 0 HGAALO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](Cc2nc3ccccc3s2)CC1 ZINC000023883259 558580469 /nfs/dbraw/zinc/58/04/69/558580469.db2.gz SBIVSOVJEURGLV-UHFFFAOYSA-N 1 2 405.520 3.332 50 0 HGAALO O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023936856 558581910 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COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cc4c(c(Cl)c3)OCO4)CC2)c1 ZINC000014118907 558621872 /nfs/dbraw/zinc/62/18/72/558621872.db2.gz CVQRNFKZKYCJJC-UHFFFAOYSA-N 1 2 418.877 3.044 50 0 HGAALO O=C(c1ccc(SCc2cn3ccccc3[nH+]2)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000025170125 558633534 /nfs/dbraw/zinc/63/35/34/558633534.db2.gz DWDNJJXQADWCPC-UHFFFAOYSA-N 1 2 420.538 3.321 50 0 HGAALO CCOc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1OCC ZINC000014197417 558634037 /nfs/dbraw/zinc/63/40/37/558634037.db2.gz GCSNCHUNXWRDKT-CYBMUJFWSA-N 1 2 417.428 3.406 50 0 HGAALO CCOc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1OCC ZINC000014197417 558634038 /nfs/dbraw/zinc/63/40/38/558634038.db2.gz GCSNCHUNXWRDKT-CYBMUJFWSA-N 1 2 417.428 3.406 50 0 HGAALO CC(=O)c1cccc(OC[C@H](O)CN2CC[NH+](Cc3ccc(Cl)s3)CC2)c1 ZINC000025230505 558635217 /nfs/dbraw/zinc/63/52/17/558635217.db2.gz KXEVWIWDVREAQS-QGZVFWFLSA-N 1 2 408.951 3.162 50 0 HGAALO CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000025230505 558635223 /nfs/dbraw/zinc/63/52/23/558635223.db2.gz KXEVWIWDVREAQS-QGZVFWFLSA-N 1 2 408.951 3.162 50 0 HGAALO COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)C[N@H+](Cc3ccc(O)cc3)C2)c1 ZINC000014745377 558668912 /nfs/dbraw/zinc/66/89/12/558668912.db2.gz PRNNBGXMLVJMET-HSZRJFAPSA-N 1 2 412.530 3.286 50 0 HGAALO COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)C[N@@H+](Cc3ccc(O)cc3)C2)c1 ZINC000014745377 558668914 /nfs/dbraw/zinc/66/89/14/558668914.db2.gz PRNNBGXMLVJMET-HSZRJFAPSA-N 1 2 412.530 3.286 50 0 HGAALO Cc1cc(=O)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(CC2CCCC2)n1C ZINC000014988411 558693284 /nfs/dbraw/zinc/69/32/84/558693284.db2.gz KQZCAHZGASSFOB-UHFFFAOYSA-N 1 2 407.558 3.384 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)COC(=O)c1ccc2ccccc2c1O)c1ccccc1 ZINC000028936252 558707671 /nfs/dbraw/zinc/70/76/71/558707671.db2.gz GJFRIJBPKHKICZ-NRFANRHFSA-N 1 2 415.449 3.342 50 0 HGAALO O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000029326227 558713603 /nfs/dbraw/zinc/71/36/03/558713603.db2.gz ZARXWNWLSXIPQW-UHFFFAOYSA-N 1 2 421.545 3.307 50 0 HGAALO CC(C)[S@@](=O)c1ccc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000072294487 558739609 /nfs/dbraw/zinc/73/96/09/558739609.db2.gz HUVTZKQGQVGQKT-XBBWARJSSA-N 1 2 413.587 3.143 50 0 HGAALO COc1ccc(C(=O)N2CC[NH+](Cc3c[nH]nc3-c3ccc(OC)cc3F)CC2)cc1 ZINC000015961736 558764153 /nfs/dbraw/zinc/76/41/53/558764153.db2.gz JEIIDGJPQZWUCI-UHFFFAOYSA-N 1 2 424.476 3.191 50 0 HGAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015987299 558765341 /nfs/dbraw/zinc/76/53/41/558765341.db2.gz AHYSVLUBGGFJBV-MANSERQUSA-N 1 2 408.841 3.028 50 0 HGAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015987299 558765344 /nfs/dbraw/zinc/76/53/44/558765344.db2.gz AHYSVLUBGGFJBV-MANSERQUSA-N 1 2 408.841 3.028 50 0 HGAALO O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528399 558812101 /nfs/dbraw/zinc/81/21/01/558812101.db2.gz GRJYQFBRGCJMID-UHFFFAOYSA-N 1 2 419.451 3.448 50 0 HGAALO O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528399 558812104 /nfs/dbraw/zinc/81/21/04/558812104.db2.gz GRJYQFBRGCJMID-UHFFFAOYSA-N 1 2 419.451 3.448 50 0 HGAALO O=c1c2cc(Cc3ccccc3)sc2[nH]c(=S)n1CCC[NH+]1CCOCC1 ZINC000017082272 558814259 /nfs/dbraw/zinc/81/42/59/558814259.db2.gz ZTUMSBRPRSQKTI-UHFFFAOYSA-N 1 2 401.557 3.434 50 0 HGAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000018123242 558831612 /nfs/dbraw/zinc/83/16/12/558831612.db2.gz GPDGDYJLRBCXOU-SFHVURJKSA-N 1 2 421.394 3.299 50 0 HGAALO O=C1C[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000018250402 558834696 /nfs/dbraw/zinc/83/46/96/558834696.db2.gz UUNJRJIYKFBNDH-SFHVURJKSA-N 1 2 404.297 3.448 50 0 HGAALO CCn1c2ccccc2n(CCC(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)c1=O ZINC000010644409 558836618 /nfs/dbraw/zinc/83/66/18/558836618.db2.gz GFCQZYOLRABQGX-GOSISDBHSA-N 1 2 403.486 3.036 50 0 HGAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(=O)c3csc4c3CCCC4)C2)CC1 ZINC000055100226 558872614 /nfs/dbraw/zinc/87/26/14/558872614.db2.gz BAMZWEMMAGTTPX-INIZCTEOSA-N 1 2 405.564 3.006 50 0 HGAALO CC(=O)c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000055153562 558874255 /nfs/dbraw/zinc/87/42/55/558874255.db2.gz WSWNFMMQRRGVPV-HSZRJFAPSA-N 1 2 409.505 3.455 50 0 HGAALO O=C(Cc1c2ccccc2[nH]c1Sc1ccc(F)cc1)NCC[NH+]1CCOCC1 ZINC000033116259 558877634 /nfs/dbraw/zinc/87/76/34/558877634.db2.gz HTDMWDDNWHWJFS-UHFFFAOYSA-N 1 2 413.518 3.449 50 0 HGAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000057050839 558887290 /nfs/dbraw/zinc/88/72/90/558887290.db2.gz IPJLPXXDWAAJKE-UHFFFAOYSA-N 1 2 424.476 3.244 50 0 HGAALO CC[NH+](CC)Cc1nnc2sc(-c3ccccc3I)nn12 ZINC000071260540 558896531 /nfs/dbraw/zinc/89/65/31/558896531.db2.gz NRKHNNAEJAOZKQ-UHFFFAOYSA-N 1 2 413.288 3.299 50 0 HGAALO CCOc1ccc(-c2nc(C(=O)NC(C)(C)c3noc(C[NH+](C)C)n3)cs2)cc1 ZINC000058157962 558903374 /nfs/dbraw/zinc/90/33/74/558903374.db2.gz BDWQPHQEYUNLGT-UHFFFAOYSA-N 1 2 415.519 3.319 50 0 HGAALO CCOC(=O)c1ccc(N2CC[NH+](Cn3ccc(-c4ccc(F)cc4)n3)CC2)nc1 ZINC000058305225 558918010 /nfs/dbraw/zinc/91/80/10/558918010.db2.gz VXVZRPCIPNQVQW-UHFFFAOYSA-N 1 2 409.465 3.041 50 0 HGAALO COc1ccccc1N1CC[NH+](CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000058391920 558923570 /nfs/dbraw/zinc/92/35/70/558923570.db2.gz FWFJOISRKVSRTC-UHFFFAOYSA-N 1 2 408.951 3.335 50 0 HGAALO OCC[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[N@@H+]1Cc1ccccc1F ZINC000019595195 558945994 /nfs/dbraw/zinc/94/59/94/558945994.db2.gz TXHPURACGQCCJS-KRWDZBQOSA-N 1 2 406.885 3.277 50 0 HGAALO OCC[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[N@H+]1Cc1ccccc1F ZINC000019595195 558945997 /nfs/dbraw/zinc/94/59/97/558945997.db2.gz TXHPURACGQCCJS-KRWDZBQOSA-N 1 2 406.885 3.277 50 0 HGAALO Cc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019680377 558956696 /nfs/dbraw/zinc/95/66/96/558956696.db2.gz IKUNLBOIDOCEDX-UHFFFAOYSA-N 1 2 409.349 3.264 50 0 HGAALO C[C@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022025275 558985060 /nfs/dbraw/zinc/98/50/60/558985060.db2.gz VRMNIGKESLFBCA-HNNXBMFYSA-N 1 2 413.572 3.358 50 0 HGAALO C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022025275 558985061 /nfs/dbraw/zinc/98/50/61/558985061.db2.gz VRMNIGKESLFBCA-HNNXBMFYSA-N 1 2 413.572 3.358 50 0 HGAALO Cc1cc2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccn(C)n3)nc2c(C)c1 ZINC000023128157 559016384 /nfs/dbraw/zinc/01/63/84/559016384.db2.gz KSDMSLXQTKSYRV-UHFFFAOYSA-N 1 2 413.547 3.016 50 0 HGAALO O=C(Cn1cnc2ccccc21)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095517556 559084725 /nfs/dbraw/zinc/08/47/25/559084725.db2.gz MPOJXIKMOPMOLV-LJQANCHMSA-N 1 2 400.486 3.082 50 0 HGAALO O=C(Cn1cnc2ccccc21)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095517555 559084759 /nfs/dbraw/zinc/08/47/59/559084759.db2.gz MPOJXIKMOPMOLV-IBGZPJMESA-N 1 2 400.486 3.082 50 0 HGAALO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000096165237 559100910 /nfs/dbraw/zinc/10/09/10/559100910.db2.gz GTAXNUJCEHUYPG-UHFFFAOYSA-N 1 2 403.477 3.192 50 0 HGAALO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000100043154 559129099 /nfs/dbraw/zinc/12/90/99/559129099.db2.gz IIGQMZOBQPDQHF-OAQYLSRUSA-N 1 2 411.477 3.069 50 0 HGAALO O=C1C[C@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100768345 559139952 /nfs/dbraw/zinc/13/99/52/559139952.db2.gz RVASAVQMHMTSCE-SFHVURJKSA-N 1 2 402.853 3.095 50 0 HGAALO Cn1ncc2c1nc[nH+]c2SCC(=O)c1ccc(CNC(=O)C(C)(C)C)s1 ZINC000011684071 559177063 /nfs/dbraw/zinc/17/70/63/559177063.db2.gz GHCJLFUREWAPEW-UHFFFAOYSA-N 1 2 403.533 3.062 50 0 HGAALO Cc1ccc(-n2cc[nH+]c2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1 ZINC000011695673 559188974 /nfs/dbraw/zinc/18/89/74/559188974.db2.gz SBGXAYWUJXCRKN-UHFFFAOYSA-N 1 2 414.465 3.250 50 0 HGAALO COc1ccc(C(=O)N2CC[NH+](Cc3cc(=O)oc4cc(C)ccc34)CC2)c(OC)c1 ZINC000055044019 560083413 /nfs/dbraw/zinc/08/34/13/560083413.db2.gz YBILDMIMCUBBKW-UHFFFAOYSA-N 1 2 422.481 3.077 50 0 biogenic,in-vitro HGAALO CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000018217901 560784921 /nfs/dbraw/zinc/78/49/21/560784921.db2.gz ORMNUNLPLQXJAO-MHJFOBGBSA-N 1 2 400.567 3.087 50 0 HGAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000051185269 560837990 /nfs/dbraw/zinc/83/79/90/560837990.db2.gz PCCLDLWVDVDKNS-LJQANCHMSA-N 1 2 412.965 3.105 50 0 HGAALO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907270 568415833 /nfs/dbraw/zinc/41/58/33/568415833.db2.gz NKJABBHHRCMOQJ-JOCHJYFZSA-N 1 2 417.509 3.120 50 0 HGAALO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907270 568415834 /nfs/dbraw/zinc/41/58/34/568415834.db2.gz NKJABBHHRCMOQJ-JOCHJYFZSA-N 1 2 417.509 3.120 50 0 HGAALO CCOC(=O)c1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cc1 ZINC000048012739 568431947 /nfs/dbraw/zinc/43/19/47/568431947.db2.gz DFXVPUKHLQGEMF-HOTGVXAUSA-N 1 2 412.490 3.194 50 0 HGAALO Cc1cc(N2CCN(C(=O)Nc3ccc(N4CCCC4)nc3)CC2)nc(C(C)C)[nH+]1 ZINC000048086997 568431969 /nfs/dbraw/zinc/43/19/69/568431969.db2.gz CMWRYNSTYHBYEP-UHFFFAOYSA-N 1 2 409.538 3.258 50 0 HGAALO Cc1cc(N2CCN([C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000048236330 568432939 /nfs/dbraw/zinc/43/29/39/568432939.db2.gz OZJWRVQGYYCTTL-OALUTQOASA-N 1 2 407.562 3.397 50 0 HGAALO Cc1cc(=O)c(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)nn1-c1ccccc1 ZINC000048277635 568435711 /nfs/dbraw/zinc/43/57/11/568435711.db2.gz BEQGNGRGZKEPRA-UHFFFAOYSA-N 1 2 417.513 3.246 50 0 HGAALO CCc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)NCc1ccc(SC)cc1)CC3 ZINC000049003287 568446393 /nfs/dbraw/zinc/44/63/93/568446393.db2.gz WOYPAAMZTICHHS-UHFFFAOYSA-N 1 2 421.566 3.487 50 0 HGAALO CCc1ccc2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)NCc1ccc(SC)cc1)CC3 ZINC000049003287 568446395 /nfs/dbraw/zinc/44/63/95/568446395.db2.gz WOYPAAMZTICHHS-UHFFFAOYSA-N 1 2 421.566 3.487 50 0 HGAALO Cc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)s1 ZINC000021153724 568462059 /nfs/dbraw/zinc/46/20/59/568462059.db2.gz ZRVKLJDMDIDDMJ-HXUWFJFHSA-N 1 2 415.584 3.473 50 0 HGAALO Cc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)s1 ZINC000021153724 568462060 /nfs/dbraw/zinc/46/20/60/568462060.db2.gz ZRVKLJDMDIDDMJ-HXUWFJFHSA-N 1 2 415.584 3.473 50 0 HGAALO FC(F)(Cl)Oc1ccc(Nc2nc(-n3ccnc3)nc(-n3cc[nH+]c3)n2)cc1 ZINC000000720403 568466611 /nfs/dbraw/zinc/46/66/11/568466611.db2.gz AJTQUYALKCVCPN-UHFFFAOYSA-N 1 2 404.768 3.155 50 0 HGAALO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3cc(F)ccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000024830052 568469863 /nfs/dbraw/zinc/46/98/63/568469863.db2.gz QADYMBOQPGQINC-HNNXBMFYSA-N 1 2 403.477 3.336 50 0 HGAALO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCN(c2c(C)cccc2C)CC1 ZINC000019999713 568586159 /nfs/dbraw/zinc/58/61/59/568586159.db2.gz QWISVBXTGHVGAZ-OAQYLSRUSA-N 1 2 412.530 3.077 50 0 HGAALO Cc1cc(C)c2oc(=O)cc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020412486 568605570 /nfs/dbraw/zinc/60/55/70/568605570.db2.gz GSKDYWTUAIWEMG-UHFFFAOYSA-N 1 2 406.482 3.456 50 0 HGAALO Cc1cc(C)c2oc(=O)cc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020412486 568605571 /nfs/dbraw/zinc/60/55/71/568605571.db2.gz GSKDYWTUAIWEMG-UHFFFAOYSA-N 1 2 406.482 3.456 50 0 HGAALO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)cc(OC)c1OC ZINC000095412436 568606738 /nfs/dbraw/zinc/60/67/38/568606738.db2.gz BOQZJULYUFTSFZ-GOSISDBHSA-N 1 2 412.486 3.388 50 0 HGAALO COc1cc(NC(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)cc(OC)c1OC ZINC000095412436 568606739 /nfs/dbraw/zinc/60/67/39/568606739.db2.gz BOQZJULYUFTSFZ-GOSISDBHSA-N 1 2 412.486 3.388 50 0 HGAALO Cc1cccc(N2CC[N@@H+](CN3c4ccccc4C4(OCCCO4)C3=O)C[C@H]2C)c1 ZINC000020681502 568640093 /nfs/dbraw/zinc/64/00/93/568640093.db2.gz BOYWCGKGTQLCOS-LJQANCHMSA-N 1 2 407.514 3.100 50 0 HGAALO Cc1cccc(N2CC[N@H+](CN3c4ccccc4C4(OCCCO4)C3=O)C[C@H]2C)c1 ZINC000020681502 568640096 /nfs/dbraw/zinc/64/00/96/568640096.db2.gz BOYWCGKGTQLCOS-LJQANCHMSA-N 1 2 407.514 3.100 50 0 HGAALO CC[NH+]1CCN(C(=O)c2cc3c(-c4ccc(OC)c(OC)c4)nn(C)c3s2)CC1 ZINC000020855881 568645413 /nfs/dbraw/zinc/64/54/13/568645413.db2.gz SSURIZCNNIRVHC-UHFFFAOYSA-N 1 2 414.531 3.097 50 0 HGAALO Cn1ncc2c1nc[nH+]c2SCCNC(=O)c1cccnc1Oc1ccccc1 ZINC000095971873 568671470 /nfs/dbraw/zinc/67/14/70/568671470.db2.gz GVNPEWKTGUXVEH-UHFFFAOYSA-N 1 2 406.471 3.073 50 0 HGAALO CO[C@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006545 568682922 /nfs/dbraw/zinc/68/29/22/568682922.db2.gz NKDNGLRTAMQACO-SJORKVTESA-N 1 2 411.930 3.283 50 0 HGAALO CO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006545 568682924 /nfs/dbraw/zinc/68/29/24/568682924.db2.gz NKDNGLRTAMQACO-SJORKVTESA-N 1 2 411.930 3.283 50 0 HGAALO COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096232273 568708165 /nfs/dbraw/zinc/70/81/65/568708165.db2.gz GDYTULVGTOQWJV-NSHDSACASA-N 1 2 404.444 3.118 50 0 HGAALO CCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@@H](C)C(=O)OC ZINC000096299907 568723302 /nfs/dbraw/zinc/72/33/02/568723302.db2.gz OTFHTHXOYBVAJH-IBGZPJMESA-N 1 2 400.519 3.433 50 0 HGAALO CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@@H](C)C(=O)OC ZINC000096299907 568723305 /nfs/dbraw/zinc/72/33/05/568723305.db2.gz OTFHTHXOYBVAJH-IBGZPJMESA-N 1 2 400.519 3.433 50 0 HGAALO CCOc1ccc(OCC(=O)N2CCN(c3[nH+]ccn3-c3ccc(C)cc3)CC2)cc1 ZINC000012444688 568725672 /nfs/dbraw/zinc/72/56/72/568725672.db2.gz XFKYGJGCBYAXQQ-UHFFFAOYSA-N 1 2 420.513 3.307 50 0 HGAALO CC[C@H](C)c1nc(N2CCN(C(=O)COC)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317307 568726695 /nfs/dbraw/zinc/72/66/95/568726695.db2.gz CAPIAGYPMOGMRI-SFHVURJKSA-N 1 2 410.562 3.493 50 0 HGAALO O=C(/C=C\c1ccc(Br)o1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000096619944 568764065 /nfs/dbraw/zinc/76/40/65/568764065.db2.gz WIMRYHGGQAIFKF-SDQPKGBYSA-N 1 2 411.321 3.307 50 0 HGAALO CC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000055649822 568781390 /nfs/dbraw/zinc/78/13/90/568781390.db2.gz UHFPPMWAQRTDCI-UHFFFAOYSA-N 1 2 408.470 3.110 50 0 HGAALO COC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000057364160 568829334 /nfs/dbraw/zinc/82/93/34/568829334.db2.gz JJDPCLBGVODUNJ-UHFFFAOYSA-N 1 2 421.419 3.253 50 0 HGAALO CCC[N@H+](Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000057442659 568837119 /nfs/dbraw/zinc/83/71/19/568837119.db2.gz CPIIBZYYIZSFAW-HXUWFJFHSA-N 1 2 410.474 3.142 50 0 HGAALO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000057442659 568837121 /nfs/dbraw/zinc/83/71/21/568837121.db2.gz CPIIBZYYIZSFAW-HXUWFJFHSA-N 1 2 410.474 3.142 50 0 HGAALO C[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547487 568851368 /nfs/dbraw/zinc/85/13/68/568851368.db2.gz GVKBWDDKGWPLGH-KRWDZBQOSA-N 1 2 404.470 3.255 50 0 HGAALO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000012547491 568851482 /nfs/dbraw/zinc/85/14/82/568851482.db2.gz QYPDNAMEMJLLNN-LSDHHAIUSA-N 1 2 413.503 3.106 50 0 HGAALO Cc1cc(C)cc(C(=O)NCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000012560368 568858388 /nfs/dbraw/zinc/85/83/88/568858388.db2.gz AQAWKOHLPMBIOA-FQEVSTJZSA-N 1 2 410.905 3.326 50 0 HGAALO CC(C)(C)c1ccc(S(=O)(=O)CC[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1 ZINC000263586218 568878779 /nfs/dbraw/zinc/87/87/79/568878779.db2.gz RJIHDTYNHTXHGB-ZWKOTPCHSA-N 1 2 414.571 3.039 50 0 biogenic HGAALO CC(C)(C)c1ccc(S(=O)(=O)CC[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1 ZINC000263586218 568878782 /nfs/dbraw/zinc/87/87/82/568878782.db2.gz RJIHDTYNHTXHGB-ZWKOTPCHSA-N 1 2 414.571 3.039 50 0 biogenic HGAALO COc1ccc(C[NH2+][C@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)cc1OC ZINC000263616653 568911102 /nfs/dbraw/zinc/91/11/02/568911102.db2.gz JXWVZZPNSFEHCY-HXUWFJFHSA-N 1 2 412.877 3.253 50 0 HGAALO O=C(Cn1c(=O)oc2ccccc21)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000003554175 568915200 /nfs/dbraw/zinc/91/52/00/568915200.db2.gz OKLBAGAHGMXMPN-UHFFFAOYSA-N 1 2 420.494 3.248 50 0 HGAALO O=C(Cn1c(=O)oc2ccccc21)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003554175 568915201 /nfs/dbraw/zinc/91/52/01/568915201.db2.gz OKLBAGAHGMXMPN-UHFFFAOYSA-N 1 2 420.494 3.248 50 0 HGAALO C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000012698580 568917023 /nfs/dbraw/zinc/91/70/23/568917023.db2.gz KOOBMYBGIJNCIR-INIZCTEOSA-N 1 2 419.481 3.144 50 0 HGAALO C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000012698580 568917025 /nfs/dbraw/zinc/91/70/25/568917025.db2.gz KOOBMYBGIJNCIR-INIZCTEOSA-N 1 2 419.481 3.144 50 0 HGAALO O=C(NC1CC[NH+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1)c1ccccc1 ZINC000025828802 568922555 /nfs/dbraw/zinc/92/25/55/568922555.db2.gz CSMOAGCSZXSOQL-UHFFFAOYSA-N 1 2 402.454 3.476 50 0 HGAALO CC[C@H](C(=O)NCCn1c(C)[nH+]c2ccccc21)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000031497963 568927081 /nfs/dbraw/zinc/92/70/81/568927081.db2.gz MDIKJSKEQLUJBN-GOSISDBHSA-N 1 2 423.908 3.419 50 0 HGAALO Fc1ccc(-n2ncc3c2ncnc3N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000012764571 568947600 /nfs/dbraw/zinc/94/76/00/568947600.db2.gz JTQWYKMDFBSQEI-OAQYLSRUSA-N 1 2 418.476 3.440 50 0 HGAALO C[C@H](NC(=O)CCS(=O)(=O)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008229655 568983484 /nfs/dbraw/zinc/98/34/84/568983484.db2.gz APNNHSSZAHMUPV-HNNXBMFYSA-N 1 2 401.463 3.053 50 0 HGAALO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC(=O)NC(=O)Nc1ccccc1F ZINC000008311638 568988714 /nfs/dbraw/zinc/98/87/14/568988714.db2.gz SYMWCZNBAPUKJH-UHFFFAOYSA-N 1 2 409.465 3.408 50 0 HGAALO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC(=O)NC(=O)Nc1ccccc1F ZINC000008311638 568988715 /nfs/dbraw/zinc/98/87/15/568988715.db2.gz SYMWCZNBAPUKJH-UHFFFAOYSA-N 1 2 409.465 3.408 50 0 HGAALO Cc1oc(-c2cccs2)nc1CN1CC[N@H+](Cc2cccc(C)n2)[C@H](CCO)C1 ZINC000104394173 569008587 /nfs/dbraw/zinc/00/85/87/569008587.db2.gz IGZJRYIKLGQKHB-LJQANCHMSA-N 1 2 412.559 3.484 50 0 HGAALO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+](Cc2cccc(C)n2)[C@H](CCO)C1 ZINC000104394173 569008588 /nfs/dbraw/zinc/00/85/88/569008588.db2.gz IGZJRYIKLGQKHB-LJQANCHMSA-N 1 2 412.559 3.484 50 0 HGAALO O=C(Nc1cnccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 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3.260 50 0 HGAALO CCOc1ccc(CC(=O)N2CCN(c3[nH+]ccn3-c3ccc(C)cc3)CC2)cc1 ZINC000011027477 558691532 /nfs/dbraw/zinc/69/15/32/558691532.db2.gz GBRVUGAEZJIMLX-UHFFFAOYSA-N 1 2 404.514 3.471 50 0 HGAALO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)CCOc3ccccc3Cl)[nH]c(=O)c21 ZINC000029154214 558710853 /nfs/dbraw/zinc/71/08/53/558710853.db2.gz QNRXTOLOALSHMV-UHFFFAOYSA-N 1 2 419.865 3.165 50 0 HGAALO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)CCOc3ccccc3Cl)[nH]c(=O)c21 ZINC000029154214 558710856 /nfs/dbraw/zinc/71/08/56/558710856.db2.gz QNRXTOLOALSHMV-UHFFFAOYSA-N 1 2 419.865 3.165 50 0 HGAALO O=C([C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000015076649 558716883 /nfs/dbraw/zinc/71/68/83/558716883.db2.gz XNIJIJFUXKRYDM-LJQANCHMSA-N 1 2 414.937 3.214 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)NCc3nc4ccccc4s3)CC2)cc1F ZINC000029676869 558718807 /nfs/dbraw/zinc/71/88/07/558718807.db2.gz BATNDFCBAHYJBY-UHFFFAOYSA-N 1 2 414.506 3.471 50 0 HGAALO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(Cc3nnnn3C3CC3)CC2)cc1 ZINC000029964617 558724838 /nfs/dbraw/zinc/72/48/38/558724838.db2.gz FXENIIQRWKHGQV-UHFFFAOYSA-N 1 2 410.472 3.193 50 0 HGAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000030536476 558731970 /nfs/dbraw/zinc/73/19/70/558731970.db2.gz REFOIZQMMOQYIZ-HXUWFJFHSA-N 1 2 417.347 3.490 50 0 HGAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(I)cc1 ZINC000015686326 558748956 /nfs/dbraw/zinc/74/89/56/558748956.db2.gz LAUKHYFORWBPCQ-CQSZACIVSA-N 1 2 408.239 3.389 50 0 HGAALO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000072308899 558771758 /nfs/dbraw/zinc/77/17/58/558771758.db2.gz NNKHRWCKOPQUPW-OAHLLOKOSA-N 1 2 411.428 3.142 50 0 HGAALO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000072308899 558771759 /nfs/dbraw/zinc/77/17/59/558771759.db2.gz NNKHRWCKOPQUPW-OAHLLOKOSA-N 1 2 411.428 3.142 50 0 HGAALO O=C(COc1coc(C[N@@H+]2CCc3ccccc3C2)cc1=O)Nc1cccc(F)c1 ZINC000004583965 558774648 /nfs/dbraw/zinc/77/46/48/558774648.db2.gz LINXZXWZPVPSSY-UHFFFAOYSA-N 1 2 408.429 3.355 50 0 HGAALO O=C(COc1coc(C[N@H+]2CCc3ccccc3C2)cc1=O)Nc1cccc(F)c1 ZINC000004583965 558774650 /nfs/dbraw/zinc/77/46/50/558774650.db2.gz LINXZXWZPVPSSY-UHFFFAOYSA-N 1 2 408.429 3.355 50 0 HGAALO O=c1c(-c2ccccc2)c(O)nc(SCC[NH+]2CCOCC2)n1-c1ccccc1 ZINC000015973770 558776622 /nfs/dbraw/zinc/77/66/22/558776622.db2.gz RBUMQFFOKAGIAR-UHFFFAOYSA-N 1 2 409.511 3.029 50 0 HGAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc2c(c1)OCC(=O)N2 ZINC000016237637 558780216 /nfs/dbraw/zinc/78/02/16/558780216.db2.gz CEZFSZZRYMULBY-UHFFFAOYSA-N 1 2 420.494 3.285 50 0 HGAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc2c(c1)OCC(=O)N2 ZINC000016237637 558780218 /nfs/dbraw/zinc/78/02/18/558780218.db2.gz CEZFSZZRYMULBY-UHFFFAOYSA-N 1 2 420.494 3.285 50 0 HGAALO Cc1ccc(S(=O)(=O)N2CC[NH+](CCCOc3cc(C)ccc3C)CC2)cc1 ZINC000035877068 558795551 /nfs/dbraw/zinc/79/55/51/558795551.db2.gz GSPIDFHJELFGPS-UHFFFAOYSA-N 1 2 402.560 3.387 50 0 HGAALO O=C(c1ccccc1C(F)(F)F)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528209 558812097 /nfs/dbraw/zinc/81/20/97/558812097.db2.gz OZNBEUVPDSJZJQ-UHFFFAOYSA-N 1 2 405.424 3.058 50 0 HGAALO O=C(c1ccccc1C(F)(F)F)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528209 558812099 /nfs/dbraw/zinc/81/20/99/558812099.db2.gz OZNBEUVPDSJZJQ-UHFFFAOYSA-N 1 2 405.424 3.058 50 0 HGAALO O=C(NCCc1c[nH+]c[nH]1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000017081823 558813687 /nfs/dbraw/zinc/81/36/87/558813687.db2.gz WOGFYNAWFSANRE-UHFFFAOYSA-N 1 2 400.364 3.111 50 0 HGAALO O=C(NCCc1c[nH]c[nH+]1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000017081823 558813688 /nfs/dbraw/zinc/81/36/88/558813688.db2.gz WOGFYNAWFSANRE-UHFFFAOYSA-N 1 2 400.364 3.111 50 0 HGAALO Cc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C21NC(=N)NC(Nc2ccccc2)=[NH+]1 ZINC000019326864 558868027 /nfs/dbraw/zinc/86/80/27/558868027.db2.gz GJBCCQHRICACIC-LFVRLGFBSA-N 1 2 402.502 3.166 50 0 HGAALO C[N@H+](Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1)Cc1cccc2ccccc21 ZINC000055099490 558872383 /nfs/dbraw/zinc/87/23/83/558872383.db2.gz UBMDXCPAJGXECV-HXUWFJFHSA-N 1 2 413.543 3.251 50 0 HGAALO C[N@@H+](Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1)Cc1cccc2ccccc21 ZINC000055099490 558872384 /nfs/dbraw/zinc/87/23/84/558872384.db2.gz UBMDXCPAJGXECV-HXUWFJFHSA-N 1 2 413.543 3.251 50 0 HGAALO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000058158793 558903971 /nfs/dbraw/zinc/90/39/71/558903971.db2.gz SPCYKQWQIFOEIU-AWEZNQCLSA-N 1 2 404.308 3.304 50 0 HGAALO CCc1cccc(NC(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)ncn3)CC2)c1 ZINC000072117450 558927288 /nfs/dbraw/zinc/92/72/88/558927288.db2.gz XPLHAHDMLRVNPZ-UHFFFAOYSA-N 1 2 405.506 3.196 50 0 HGAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)[nH+]1 ZINC000065362521 558973492 /nfs/dbraw/zinc/97/34/92/558973492.db2.gz GQWMCEMCLQYQRV-UHFFFAOYSA-N 1 2 417.300 3.240 50 0 HGAALO COc1cccc(-c2nc3cc4c(cc3cc2C[NH+]2CCOCC2)OCO4)c1OC ZINC000072410429 558977831 /nfs/dbraw/zinc/97/78/31/558977831.db2.gz VYSSBVQBYYWGNG-UHFFFAOYSA-N 1 2 408.454 3.480 50 0 HGAALO Cc1ccc(S(=O)(=O)N(Cc2cc(C)ccc2C)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000022996767 558982240 /nfs/dbraw/zinc/98/22/40/558982240.db2.gz RTNRABGPOMQZCA-UHFFFAOYSA-N 1 2 415.559 3.170 50 0 HGAALO CCc1cnc(NCc2ccc[nH+]c2N2CCN(c3ccccc3OC)CC2)nc1 ZINC000067641402 558990631 /nfs/dbraw/zinc/99/06/31/558990631.db2.gz YDAUPQDJYTVTPQ-UHFFFAOYSA-N 1 2 404.518 3.381 50 0 HGAALO COc1cc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCCCC2)cc(OC)c1OC ZINC000023157944 559022485 /nfs/dbraw/zinc/02/24/85/559022485.db2.gz GTABXKFJRZSEAR-MRXNPFEDSA-N 1 2 418.519 3.406 50 0 HGAALO CC1CCN(C(=O)[C@H]2c3ccccc3CC[N@H+]2CC(=O)NCc2ccccc2)CC1 ZINC000033312839 559054932 /nfs/dbraw/zinc/05/49/32/559054932.db2.gz VEKWZDJKNWHKPQ-XMMPIXPASA-N 1 2 405.542 3.161 50 0 HGAALO CC1CCN(C(=O)[C@H]2c3ccccc3CC[N@@H+]2CC(=O)NCc2ccccc2)CC1 ZINC000033312839 559054934 /nfs/dbraw/zinc/05/49/34/559054934.db2.gz VEKWZDJKNWHKPQ-XMMPIXPASA-N 1 2 405.542 3.161 50 0 HGAALO Cc1ccc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)c(F)c1F ZINC000095510550 559083793 /nfs/dbraw/zinc/08/37/93/559083793.db2.gz GRBMQIQIHLBPPQ-UHFFFAOYSA-N 1 2 400.473 3.282 50 0 HGAALO COc1cc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc(OC)c1O ZINC000096297461 559108847 /nfs/dbraw/zinc/10/88/47/559108847.db2.gz FYEYTEIWUYGCLX-UHFFFAOYSA-N 1 2 421.335 3.490 50 0 HGAALO CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000023387390 559173750 /nfs/dbraw/zinc/17/37/50/559173750.db2.gz CIRVJOXRIAAPON-HXUWFJFHSA-N 1 2 422.447 3.470 50 0 HGAALO O=S(=O)(NCC1([NH+]2CCOCC2)CCCCC1)c1c(Cl)cccc1Cl ZINC000023863746 559181358 /nfs/dbraw/zinc/18/13/58/559181358.db2.gz FIOWKHYAEGNNOF-UHFFFAOYSA-N 1 2 407.363 3.307 50 0 HGAALO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 ZINC000005242552 560549723 /nfs/dbraw/zinc/54/97/23/560549723.db2.gz WHGJIECNPKEJOV-UHFFFAOYSA-N 1 2 417.556 3.217 50 0 HGAALO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCn1cc[nH+]c1)OC(C)(C)CC3 ZINC000003985199 560597066 /nfs/dbraw/zinc/59/70/66/560597066.db2.gz DXPOVDRUAMLMMT-UHFFFAOYSA-N 1 2 409.486 3.151 50 0 biogenic HGAALO CC(=O)NCCC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000046721051 560843732 /nfs/dbraw/zinc/84/37/32/560843732.db2.gz MNVVAZSBEGFOES-SFHVURJKSA-N 1 2 405.951 3.143 50 0 HGAALO CC(=O)NCCC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000046721051 560843733 /nfs/dbraw/zinc/84/37/33/560843733.db2.gz MNVVAZSBEGFOES-SFHVURJKSA-N 1 2 405.951 3.143 50 0 HGAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)COC)CC2)c1Cc1ccc(F)cc1 ZINC000096317026 560848782 /nfs/dbraw/zinc/84/87/82/560848782.db2.gz PKVLYNWCHLDDAT-UHFFFAOYSA-N 1 2 414.525 3.187 50 0 HGAALO COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022907454 568415887 /nfs/dbraw/zinc/41/58/87/568415887.db2.gz YFGKQGPQJZYWCK-NRFANRHFSA-N 1 2 419.481 3.143 50 0 HGAALO COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022907454 568415890 /nfs/dbraw/zinc/41/58/90/568415890.db2.gz YFGKQGPQJZYWCK-NRFANRHFSA-N 1 2 419.481 3.143 50 0 HGAALO O=C(CCCNC(=O)c1cccs1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048235040 568432712 /nfs/dbraw/zinc/43/27/12/568432712.db2.gz DSLMWFOUNZQQPY-UHFFFAOYSA-N 1 2 400.548 3.350 50 0 HGAALO CCCCCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000048302684 568437843 /nfs/dbraw/zinc/43/78/43/568437843.db2.gz HUTCTHDPRYPYRY-UHFFFAOYSA-N 1 2 401.551 3.390 50 0 HGAALO COc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1 ZINC000049003159 568446256 /nfs/dbraw/zinc/44/62/56/568446256.db2.gz JSIQXUYHJQZEFO-UHFFFAOYSA-N 1 2 411.889 3.495 50 0 HGAALO COc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1 ZINC000049003159 568446258 /nfs/dbraw/zinc/44/62/58/568446258.db2.gz JSIQXUYHJQZEFO-UHFFFAOYSA-N 1 2 411.889 3.495 50 0 HGAALO COc1cccc(N2C(=O)c3ccccc3/C(=C\NCCCn3cc[nH+]c3)C2=O)c1 ZINC000020663949 568457778 /nfs/dbraw/zinc/45/77/78/568457778.db2.gz KNVGXHBBKRPKQL-RCCKNPSSSA-N 1 2 402.454 3.100 50 0 HGAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(N(C)C)cc2)CC1 ZINC000020288186 568597486 /nfs/dbraw/zinc/59/74/86/568597486.db2.gz SSSXZWJNTZOQTN-UWJYYQICSA-N 1 2 400.592 3.311 50 0 HGAALO CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000095393803 568604368 /nfs/dbraw/zinc/60/43/68/568604368.db2.gz QRJJFDFKSVPFCH-UHFFFAOYSA-N 1 2 423.557 3.154 50 0 HGAALO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000095453141 568615544 /nfs/dbraw/zinc/61/55/44/568615544.db2.gz KCUSGHGZGBICQZ-UHFFFAOYSA-N 1 2 414.571 3.165 50 0 HGAALO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000095453206 568615630 /nfs/dbraw/zinc/61/56/30/568615630.db2.gz AQCYIEDBURXBKI-UHFFFAOYSA-N 1 2 413.499 3.293 50 0 HGAALO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(C1CCCC1)c2=O ZINC000020644014 568639086 /nfs/dbraw/zinc/63/90/86/568639086.db2.gz GXCZEZXMYITOOJ-UHFFFAOYSA-N 1 2 402.564 3.262 50 0 HGAALO Cc1cccc(N2CC[N@@H+](CN3c4ccccc4C4(OCCCO4)C3=O)C[C@@H]2C)c1 ZINC000020681506 568639979 /nfs/dbraw/zinc/63/99/79/568639979.db2.gz BOYWCGKGTQLCOS-IBGZPJMESA-N 1 2 407.514 3.100 50 0 HGAALO Cc1cccc(N2CC[N@H+](CN3c4ccccc4C4(OCCCO4)C3=O)C[C@@H]2C)c1 ZINC000020681506 568639983 /nfs/dbraw/zinc/63/99/83/568639983.db2.gz BOYWCGKGTQLCOS-IBGZPJMESA-N 1 2 407.514 3.100 50 0 HGAALO O=C(NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000020902079 568650129 /nfs/dbraw/zinc/65/01/29/568650129.db2.gz FZSYFGJWESZZMF-QFIPXVFZSA-N 1 2 418.472 3.075 50 0 HGAALO O=C(NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000020902079 568650131 /nfs/dbraw/zinc/65/01/31/568650131.db2.gz FZSYFGJWESZZMF-QFIPXVFZSA-N 1 2 418.472 3.075 50 0 HGAALO Cn1cccc1[C@@H](CNS(=O)(=O)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000021153925 568673158 /nfs/dbraw/zinc/67/31/58/568673158.db2.gz VRIIPNGQQMNERR-HSZRJFAPSA-N 1 2 409.555 3.244 50 0 HGAALO Cn1cccc1[C@@H](CNS(=O)(=O)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000021153925 568673161 /nfs/dbraw/zinc/67/31/61/568673161.db2.gz VRIIPNGQQMNERR-HSZRJFAPSA-N 1 2 409.555 3.244 50 0 HGAALO COCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000021158796 568674236 /nfs/dbraw/zinc/67/42/36/568674236.db2.gz HSDKQPHFLVHHNI-UHFFFAOYSA-N 1 2 410.493 3.203 50 0 HGAALO Cc1[nH+]c(SCc2cccc(C(=O)NC(C)C)c2)nc(N2CCOCC2)c1C ZINC000096211067 568704559 /nfs/dbraw/zinc/70/45/59/568704559.db2.gz FPXVIJYNMQPRAL-UHFFFAOYSA-N 1 2 400.548 3.361 50 0 HGAALO COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096232272 568708132 /nfs/dbraw/zinc/70/81/32/568708132.db2.gz GDYTULVGTOQWJV-LLVKDONJSA-N 1 2 404.444 3.118 50 0 HGAALO COc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)C3CC3)CC2)c1 ZINC000096316902 568726101 /nfs/dbraw/zinc/72/61/01/568726101.db2.gz SLCZMLVBCMOJJY-UHFFFAOYSA-N 1 2 406.530 3.320 50 0 HGAALO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](n3c(C)[nH+]c4ccccc43)C2)cc1 ZINC000585149208 568742867 /nfs/dbraw/zinc/74/28/67/568742867.db2.gz BRRHKGIEGCKNAB-INIZCTEOSA-N 1 2 414.487 3.159 50 0 HGAALO CC1=C(C(N)=O)[C@H](c2ccccc2Cl)N2NC(c3ccc(Cl)cc3)=NC2=[NH+]1 ZINC000000940656 568753098 /nfs/dbraw/zinc/75/30/98/568753098.db2.gz MERLCAMEPMLIOY-INIZCTEOSA-N 1 2 400.269 3.430 50 0 HGAALO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1nc2cc(Br)cnc2[nH]1 ZINC000097164834 568769299 /nfs/dbraw/zinc/76/92/99/568769299.db2.gz VHTGIMCWJVYEFO-JTQLQIEISA-N 1 2 413.235 3.219 50 0 HGAALO CCOc1ccc([C@H](C2Sc3nc(CC)nn3C2=O)N2CC[NH+](CC)CC2)cc1 ZINC000022578139 568770023 /nfs/dbraw/zinc/77/00/23/568770023.db2.gz PZPFXHXHUDXZHY-GOSISDBHSA-N 1 2 415.563 3.184 50 0 HGAALO Cc1ccccc1C(=O)N1CCC(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000028694764 568802199 /nfs/dbraw/zinc/80/21/99/568802199.db2.gz ICDFCKXUJWQIDT-UHFFFAOYSA-N 1 2 416.525 3.408 50 0 HGAALO O=C(COc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056945465 568821538 /nfs/dbraw/zinc/82/15/38/568821538.db2.gz MCZFZEAHGGCSTD-JOCHJYFZSA-N 1 2 423.488 3.477 50 0 HGAALO O=C(COc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000056945736 568821787 /nfs/dbraw/zinc/82/17/87/568821787.db2.gz RAESDTULQDNSBP-JOCHJYFZSA-N 1 2 423.488 3.477 50 0 HGAALO CCCn1c(C[NH+](Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000057015976 568823349 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O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000239347280 569054251 /nfs/dbraw/zinc/05/42/51/569054251.db2.gz MQGMAMITYMZION-PMACEKPBSA-N 1 2 421.497 3.105 50 0 HGAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000239347280 569054252 /nfs/dbraw/zinc/05/42/52/569054252.db2.gz MQGMAMITYMZION-PMACEKPBSA-N 1 2 421.497 3.105 50 0 HGAALO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000245255030 569055446 /nfs/dbraw/zinc/05/54/46/569055446.db2.gz DVOWLDXQGRUOSQ-IYARVYRRSA-N 1 2 402.539 3.061 50 0 HGAALO COC(=O)Nc1ccc(NC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000089340167 569058613 /nfs/dbraw/zinc/05/86/13/569058613.db2.gz QRZCLZLTFSOPIM-QGZVFWFLSA-N 1 2 418.519 3.464 50 0 HGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H](C)c4cnn(C)c4)csc3C2)nc1 ZINC000426412324 569072749 /nfs/dbraw/zinc/07/27/49/569072749.db2.gz CKRVZALYJJGTFF-HNNXBMFYSA-N 1 2 409.559 3.488 50 0 HGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H](C)c4cnn(C)c4)csc3C2)nc1 ZINC000426412324 569072750 /nfs/dbraw/zinc/07/27/50/569072750.db2.gz CKRVZALYJJGTFF-HNNXBMFYSA-N 1 2 409.559 3.488 50 0 HGAALO CCc1cc(CNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)on1 ZINC000426555776 569073531 /nfs/dbraw/zinc/07/35/31/569073531.db2.gz BJODLMFRUMOXAX-UHFFFAOYSA-N 1 2 400.504 3.392 50 0 HGAALO CCc1cc(CNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)on1 ZINC000426555776 569073532 /nfs/dbraw/zinc/07/35/32/569073532.db2.gz BJODLMFRUMOXAX-UHFFFAOYSA-N 1 2 400.504 3.392 50 0 HGAALO CC(C)N1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1ccccc1F)CC2 ZINC000036024753 569077640 /nfs/dbraw/zinc/07/76/40/569077640.db2.gz LNENSWHCJCIBPS-OAQYLSRUSA-N 1 2 409.505 3.210 50 0 HGAALO Cc1cccc(NC(=S)N2CCC3(CC2)[NH2+][C@H](CC(C)C)C(=O)N3C2CC2)c1 ZINC000036032754 569079955 /nfs/dbraw/zinc/07/99/55/569079955.db2.gz NXTWMEPBDYPZKO-LJQANCHMSA-N 1 2 400.592 3.493 50 0 HGAALO C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCn1cc[nH+]c1 ZINC000006660027 569083997 /nfs/dbraw/zinc/08/39/97/569083997.db2.gz 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COc1ccc(-n2c(SCC(=O)NC(C)C)nnc2[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000007023188 569204389 /nfs/dbraw/zinc/20/43/89/569204389.db2.gz OHHUCCCRLQFYJM-MRXNPFEDSA-N 1 2 417.579 3.440 50 0 HGAALO COc1ccc(CC(=O)N2CC[C@]3(C2)[NH2+]Cc2ccccc2NC3=NC(C)(C)C)cc1 ZINC000065265943 569213125 /nfs/dbraw/zinc/21/31/25/569213125.db2.gz GVRNPWYPPACKLB-RUZDIDTESA-N 1 2 420.557 3.430 50 0 HGAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCCCC1)NCc1ccc(F)c(Cl)c1 ZINC000065295306 569218748 /nfs/dbraw/zinc/21/87/48/569218748.db2.gz CQYSBQMZBXCCDJ-UHFFFAOYSA-N 1 2 416.888 3.316 50 0 HGAALO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000036700325 569222822 /nfs/dbraw/zinc/22/28/22/569222822.db2.gz ZSJOAQLDAILFGN-FQEVSTJZSA-N 1 2 424.950 3.091 50 0 HGAALO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000036700325 569222823 /nfs/dbraw/zinc/22/28/23/569222823.db2.gz ZSJOAQLDAILFGN-FQEVSTJZSA-N 1 2 424.950 3.091 50 0 HGAALO O=C(N[C@@H](Cc1c[nH+]c[nH]1)Cc1ccccc1)c1cccc(OCC(F)(F)F)n1 ZINC000089830166 569266873 /nfs/dbraw/zinc/26/68/73/569266873.db2.gz NGEPGICWHZZWRW-OAHLLOKOSA-N 1 2 404.392 3.330 50 0 HGAALO O=C(N[C@@H](Cc1c[nH]c[nH+]1)Cc1ccccc1)c1cccc(OCC(F)(F)F)n1 ZINC000089830166 569266874 /nfs/dbraw/zinc/26/68/74/569266874.db2.gz NGEPGICWHZZWRW-OAHLLOKOSA-N 1 2 404.392 3.330 50 0 HGAALO O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000089858180 569267164 /nfs/dbraw/zinc/26/71/64/569267164.db2.gz JLLAFYWNEHASGN-BHIFYINESA-N 1 2 419.506 3.341 50 0 HGAALO CC(C)[C@H](CNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C)[NH+]1CCOCC1 ZINC000089941478 569269270 /nfs/dbraw/zinc/26/92/70/569269270.db2.gz MMXKIBYJWWPKCD-AVRDEDQJSA-N 1 2 411.546 3.317 50 0 HGAALO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000007927401 569327488 /nfs/dbraw/zinc/32/74/88/569327488.db2.gz LLAAZJHMCVBDNU-IBGZPJMESA-N 1 2 415.559 3.135 50 0 HGAALO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000007927401 569327489 /nfs/dbraw/zinc/32/74/89/569327489.db2.gz LLAAZJHMCVBDNU-IBGZPJMESA-N 1 2 415.559 3.135 50 0 HGAALO Nc1c(Br)c(NCc2ccc(-n3cc[nH+]c3)nc2)c(F)cc1[N+](=O)[O-] ZINC000078903698 569421696 /nfs/dbraw/zinc/42/16/96/569421696.db2.gz WJDRABRPMFDSQO-UHFFFAOYSA-N 1 2 407.203 3.271 50 0 HGAALO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1ccccc1OCC ZINC000067286821 571064868 /nfs/dbraw/zinc/06/48/68/571064868.db2.gz HMGYCUSVVGLUCD-FQEVSTJZSA-N 1 2 401.507 3.132 50 0 HGAALO O=c1[nH]c(O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n1CCC1=CCCCC1 ZINC000008742613 571111104 /nfs/dbraw/zinc/11/11/04/571111104.db2.gz QVNIXGQJSFDVFX-HXUWFJFHSA-N 1 2 406.486 3.261 50 0 biogenic HGAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2cnn(Cc3ccccc3)c2)n(-c2ccccc2)n1 ZINC000008879951 571131423 /nfs/dbraw/zinc/13/14/23/571131423.db2.gz IXVZQYLZZOULIL-UHFFFAOYSA-N 1 2 414.513 3.496 50 0 HGAALO Cc1cc(NC(=O)C[N@H+](C)Cc2cnn(Cc3ccccc3)c2)n(-c2ccccc2)n1 ZINC000008879951 571131425 /nfs/dbraw/zinc/13/14/25/571131425.db2.gz IXVZQYLZZOULIL-UHFFFAOYSA-N 1 2 414.513 3.496 50 0 HGAALO CCN(CC)c1nc2sc(C(=O)NC[C@H](C)[NH+]3C[C@@H](C)O[C@H](C)C3)cc2s1 ZINC000039563684 571133354 /nfs/dbraw/zinc/13/33/54/571133354.db2.gz XOTMPPLPIUVYMK-BFHYXJOUSA-N 1 2 410.609 3.432 50 0 HGAALO Cn1cc[nH+]c1[C@H](NC(=O)NCc1cnn(-c2ccccc2)c1)c1cccc(F)c1 ZINC000040071902 571152507 /nfs/dbraw/zinc/15/25/07/571152507.db2.gz HEJWKTBOFSQMLR-HXUWFJFHSA-N 1 2 404.449 3.334 50 0 HGAALO O=C(NCc1ccc(N2CCCC[C@@H]2CCO)[nH+]c1)c1ccccc1OC(F)F ZINC000040150255 571198831 /nfs/dbraw/zinc/19/88/31/571198831.db2.gz GAZXYRVDPXHDFN-MRXNPFEDSA-N 1 2 405.445 3.354 50 0 HGAALO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000040154545 571201717 /nfs/dbraw/zinc/20/17/17/571201717.db2.gz YDVUYZLNBJYKNW-UHFFFAOYSA-N 1 2 408.477 3.328 50 0 HGAALO O=C(CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)NCCCn1cc[nH+]c1 ZINC000009421471 571257223 /nfs/dbraw/zinc/25/72/23/571257223.db2.gz LZIXYFUFJQYCAL-FNARSPSRSA-N 1 2 410.499 3.072 50 0 HGAALO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCn3cc[nH+]c3)ccc2C)c1 ZINC000009668800 571278335 /nfs/dbraw/zinc/27/83/35/571278335.db2.gz XHWJAZVSKGMLTH-UHFFFAOYSA-N 1 2 412.515 3.121 50 0 HGAALO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000009671901 571278670 /nfs/dbraw/zinc/27/86/70/571278670.db2.gz ALBGMNPMPDEALA-CQSZACIVSA-N 1 2 421.320 3.456 50 0 HGAALO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000009671901 571278671 /nfs/dbraw/zinc/27/86/71/571278671.db2.gz ALBGMNPMPDEALA-CQSZACIVSA-N 1 2 421.320 3.456 50 0 HGAALO Cc1ccc(S(=O)(=O)N2CC[NH+](CCn3ccnc3-c3ccccc3)CC2)c(C)c1 ZINC000077159924 571311824 /nfs/dbraw/zinc/31/18/24/571311824.db2.gz ZWUJDHBTENODRY-UHFFFAOYSA-N 1 2 424.570 3.173 50 0 HGAALO O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008075639 132327406 /nfs/dbraw/zinc/32/74/06/132327406.db2.gz UCNVFHYSHQXDHN-UHFFFAOYSA-N 1 2 410.481 3.292 50 0 HGAALO C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(N5CCOCC5)[nH+]c4)cc3c2C1 ZINC000011128841 132347779 /nfs/dbraw/zinc/34/77/79/132347779.db2.gz IAGLXAIDPDHXCE-INIZCTEOSA-N 1 2 404.514 3.454 50 0 HGAALO COc1cc(/C=C/C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)ccc1OC(C)C ZINC000011129680 132347816 /nfs/dbraw/zinc/34/78/16/132347816.db2.gz UMNGNDDEZOCORL-RMKNXTFCSA-N 1 2 411.502 3.044 50 0 HGAALO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000012563153 132364159 /nfs/dbraw/zinc/36/41/59/132364159.db2.gz SAOZPVPRQGDMSV-HXUWFJFHSA-N 1 2 422.573 3.165 50 0 HGAALO Cc1cc(N2CCN([C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000012746615 132366510 /nfs/dbraw/zinc/36/65/10/132366510.db2.gz QQXKWTJGMZDCJK-ROUUACIJSA-N 1 2 413.541 3.435 50 0 HGAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3c(F)cccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000012756216 132366731 /nfs/dbraw/zinc/36/67/31/132366731.db2.gz BPOWCXAUNHKJNC-OAHLLOKOSA-N 1 2 403.477 3.336 50 0 HGAALO Cc1ccccc1[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013038761 132452930 /nfs/dbraw/zinc/45/29/30/132452930.db2.gz RJHCIKBUXZDTEW-INIZCTEOSA-N 1 2 406.452 3.408 50 0 HGAALO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000025355240 519791711 /nfs/dbraw/zinc/79/17/11/519791711.db2.gz XYVWAZFYGFGGOF-CYBMUJFWSA-N 1 2 406.880 3.427 50 0 HGAALO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000025355240 519791712 /nfs/dbraw/zinc/79/17/12/519791712.db2.gz XYVWAZFYGFGGOF-CYBMUJFWSA-N 1 2 406.880 3.427 50 0 HGAALO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000019797539 521037457 /nfs/dbraw/zinc/03/74/57/521037457.db2.gz LLCZBJBOEWZNSP-HXUWFJFHSA-N 1 2 413.905 3.193 50 0 HGAALO COc1cccc([C@@H](NC(=O)NCc2ccc(OC)c(OC)c2)c2[nH+]ccn2C)c1 ZINC000031027503 524098317 /nfs/dbraw/zinc/09/83/17/524098317.db2.gz XVAAGLDYUNUWBQ-HXUWFJFHSA-N 1 2 410.474 3.035 50 0 HGAALO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000242191348 524596987 /nfs/dbraw/zinc/59/69/87/524596987.db2.gz XEVFYCJPCCCEAF-VXKWHMMOSA-N 1 2 407.514 3.292 50 0 HGAALO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000242191348 524596995 /nfs/dbraw/zinc/59/69/95/524596995.db2.gz XEVFYCJPCCCEAF-VXKWHMMOSA-N 1 2 407.514 3.292 50 0 HGAALO Cc1ccc(Cl)cc1N1C(=O)C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000000986360 524728883 /nfs/dbraw/zinc/72/88/83/524728883.db2.gz VYGVZWAKRJDWEV-IBGZPJMESA-N 1 2 401.869 3.242 50 0 HGAALO Cc1cccc([C@@H](CNC(=O)Cc2csc(-c3ccco3)n2)[NH+]2CCOCC2)c1 ZINC000031995026 524835429 /nfs/dbraw/zinc/83/54/29/524835429.db2.gz NMYSCYGFCZWKRI-LJQANCHMSA-N 1 2 411.527 3.444 50 0 HGAALO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000044834472 525307326 /nfs/dbraw/zinc/30/73/26/525307326.db2.gz XWLCJSZOYFILMZ-NRFANRHFSA-N 1 2 404.510 3.346 50 0 HGAALO Cc1cc2c(cc(C(=O)NCC[NH+]3CCOCC3)n2Cc2ccccc2F)s1 ZINC000040412367 525590288 /nfs/dbraw/zinc/59/02/88/525590288.db2.gz FHNJWTJZOXDWTE-UHFFFAOYSA-N 1 2 401.507 3.261 50 0 HGAALO Cc1cc2oc(=O)cc(CN3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)c2cc1C(C)C ZINC000032869521 525690604 /nfs/dbraw/zinc/69/06/04/525690604.db2.gz NXORGZFKXZNMPA-KRWDZBQOSA-N 1 2 411.546 3.010 50 0 HGAALO Cc1cc2oc(=O)cc(C[NH+]3CCN([C@@H](C)C(=O)NC4CC4)CC3)c2cc1C(C)C ZINC000032869521 525690612 /nfs/dbraw/zinc/69/06/12/525690612.db2.gz NXORGZFKXZNMPA-KRWDZBQOSA-N 1 2 411.546 3.010 50 0 HGAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)NC(=O)NC1CCCCC1 ZINC000032911214 526006818 /nfs/dbraw/zinc/00/68/18/526006818.db2.gz UXLNHHKUJZDWBH-AWEZNQCLSA-N 1 2 424.530 3.455 50 0 HGAALO Cc1nn(CN2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)c(=S)n1C ZINC000032771183 526283249 /nfs/dbraw/zinc/28/32/49/526283249.db2.gz KSXKMTYVLMYONI-UHFFFAOYSA-N 1 2 400.577 3.158 50 0 HGAALO c1cc(C[NH+]2CCN(c3ccccn3)CC2)n(-c2nnc(N3CCCCC3)s2)c1 ZINC000020576701 526424331 /nfs/dbraw/zinc/42/43/31/526424331.db2.gz CYPJBMKNYFFUCY-UHFFFAOYSA-N 1 2 409.563 3.036 50 0 HGAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000023806053 526745327 /nfs/dbraw/zinc/74/53/27/526745327.db2.gz NZFMXNBKVLVOMP-UHFFFAOYSA-N 1 2 416.905 3.264 50 0 HGAALO O=C(c1cnn2c1nccc2-c1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040426347 526891761 /nfs/dbraw/zinc/89/17/61/526891761.db2.gz QOBRSHYPLJCVQJ-UHFFFAOYSA-N 1 2 415.472 3.493 50 0 HGAALO Cc1sc2nc(CN3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)[nH]c(=O)c2c1C ZINC000032717251 526892859 /nfs/dbraw/zinc/89/28/59/526892859.db2.gz YQYRKPBQALSMEM-UHFFFAOYSA-N 1 2 412.563 3.145 50 0 HGAALO O=C(CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)NC[C@@H]1COc2ccccc2O1 ZINC000032752918 527091391 /nfs/dbraw/zinc/09/13/91/527091391.db2.gz GMUXPQFJVXNGCU-CYBMUJFWSA-N 1 2 424.457 3.299 50 0 HGAALO O=C(Cc1cn2ccccc2[nH+]1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000032377576 527319975 /nfs/dbraw/zinc/31/99/75/527319975.db2.gz ASQUVQGUFUOWFS-UHFFFAOYSA-N 1 2 417.296 3.168 50 0 HGAALO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(NC(=O)c2ccco2)s1 ZINC000032195249 527572077 /nfs/dbraw/zinc/57/20/77/527572077.db2.gz GOIFXOAIYJLTHK-UHFFFAOYSA-N 1 2 417.531 3.358 50 0 HGAALO CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000002295376 557335149 /nfs/dbraw/zinc/33/51/49/557335149.db2.gz MRRNQSNCNLTONJ-UHFFFAOYSA-N 1 2 403.529 3.040 50 0 HGAALO CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000002295376 557335152 /nfs/dbraw/zinc/33/51/52/557335152.db2.gz MRRNQSNCNLTONJ-UHFFFAOYSA-N 1 2 403.529 3.040 50 0 HGAALO O=C(NCCCn1cc[nH+]c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002302046 557335640 /nfs/dbraw/zinc/33/56/40/557335640.db2.gz IQKRPKZDKCMOSL-UHFFFAOYSA-N 1 2 420.420 3.493 50 0 HGAALO N=c1n(CC[NH+]2CCOCC2)c2ccccc2n1Cc1ccccc1Br ZINC000002362706 557340712 /nfs/dbraw/zinc/34/07/12/557340712.db2.gz REKAMGPSQSKSHW-UHFFFAOYSA-N 1 2 415.335 3.065 50 0 HGAALO O=C(NCc1ccccc1)c1coc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000034677969 557365579 /nfs/dbraw/zinc/36/55/79/557365579.db2.gz UMWVKXCWTMNODN-UHFFFAOYSA-N 1 2 408.477 3.062 50 0 HGAALO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=O)C2CC2)cc1 ZINC000034857472 557477658 /nfs/dbraw/zinc/47/76/58/557477658.db2.gz DKKZWJOFOQJROK-NRFANRHFSA-N 1 2 410.514 3.338 50 0 HGAALO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=O)C2CC2)cc1 ZINC000034857472 557477659 /nfs/dbraw/zinc/47/76/59/557477659.db2.gz DKKZWJOFOQJROK-NRFANRHFSA-N 1 2 410.514 3.338 50 0 HGAALO Cc1cccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)N(C)C3CCCCC3)CC2)c1C ZINC000022783481 557819852 /nfs/dbraw/zinc/81/98/52/557819852.db2.gz UZQLZEALWPFMKQ-FQEVSTJZSA-N 1 2 414.594 3.039 50 0 HGAALO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3nc4ccc(F)cc4[nH]3)C2)CC1 ZINC000019732202 558259870 /nfs/dbraw/zinc/25/98/70/558259870.db2.gz AHQCHUQZXINDKY-IBGZPJMESA-N 1 2 423.536 3.497 50 0 HGAALO COc1cccc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(=O)oc21 ZINC000019792519 558283465 /nfs/dbraw/zinc/28/34/65/558283465.db2.gz ZZQSNDFCESSYII-RMKNXTFCSA-N 1 2 404.466 3.273 50 0 HGAALO Cc1ccc(CN2CC[N@@H+](Cc3ccc(Sc4nncn4C)o3)CCC2=O)cc1 ZINC000011973564 558305429 /nfs/dbraw/zinc/30/54/29/558305429.db2.gz NAJKACRWFGWMLH-UHFFFAOYSA-N 1 2 411.531 3.102 50 0 HGAALO Cc1ccc(CN2CC[N@H+](Cc3ccc(Sc4nncn4C)o3)CCC2=O)cc1 ZINC000011973564 558305432 /nfs/dbraw/zinc/30/54/32/558305432.db2.gz NAJKACRWFGWMLH-UHFFFAOYSA-N 1 2 411.531 3.102 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000019952714 558315074 /nfs/dbraw/zinc/31/50/74/558315074.db2.gz YZEJLTOSFRHRHL-UHFFFAOYSA-N 1 2 422.312 3.478 50 0 HGAALO CCOC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000020168984 558343391 /nfs/dbraw/zinc/34/33/91/558343391.db2.gz PODLFHVJOWOKCR-UHFFFAOYSA-N 1 2 413.543 3.387 50 0 HGAALO COc1ccc(-n2ccnc2CN2CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C2)cc1 ZINC000020449675 558364747 /nfs/dbraw/zinc/36/47/47/558364747.db2.gz WZIGWJXFBITYDN-NRFANRHFSA-N 1 2 424.520 3.089 50 0 HGAALO COc1ccc(-n2ccnc2CN2CC[N@@H+](Cc3ccccc3F)[C@@H](CCO)C2)cc1 ZINC000020449675 558364748 /nfs/dbraw/zinc/36/47/48/558364748.db2.gz WZIGWJXFBITYDN-NRFANRHFSA-N 1 2 424.520 3.089 50 0 HGAALO COCCNc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[N@@H+](C)C3 ZINC000020461472 558373028 /nfs/dbraw/zinc/37/30/28/558373028.db2.gz QSWYJJORKVXKER-UHFFFAOYSA-N 1 2 404.923 3.147 50 0 HGAALO COCCNc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[N@H+](C)C3 ZINC000020461472 558373032 /nfs/dbraw/zinc/37/30/32/558373032.db2.gz QSWYJJORKVXKER-UHFFFAOYSA-N 1 2 404.923 3.147 50 0 HGAALO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000012439951 558411316 /nfs/dbraw/zinc/41/13/16/558411316.db2.gz QJVWZWITLCCRGH-OAGJVSPASA-N 1 2 417.469 3.488 50 0 HGAALO CCCCn1c(CN(C)CCc2[nH]c3ccccc3[nH+]2)cnc1S(=O)(=O)CC ZINC000020912357 558422448 /nfs/dbraw/zinc/42/24/48/558422448.db2.gz XLCXRIHCXWTTBR-UHFFFAOYSA-N 1 2 403.552 3.028 50 0 HGAALO C[C@H]1CN(C(=O)CSc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)C[C@H](C)O1 ZINC000004341722 558425480 /nfs/dbraw/zinc/42/54/80/558425480.db2.gz SZMLTMRGNYUFCB-STQMWFEESA-N 1 2 417.922 3.197 50 0 HGAALO O=C(CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(F)cc1)CC2)NC1CCCC1 ZINC000021526175 558440520 /nfs/dbraw/zinc/44/05/20/558440520.db2.gz RPTKHNPFZZZWGB-UHFFFAOYSA-N 1 2 416.522 3.031 50 0 HGAALO O=C(CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(F)cc1)CC2)NC1CCCC1 ZINC000021526175 558440524 /nfs/dbraw/zinc/44/05/24/558440524.db2.gz RPTKHNPFZZZWGB-UHFFFAOYSA-N 1 2 416.522 3.031 50 0 HGAALO COc1cc(CCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc(OC)c1OC ZINC000021929660 558455978 /nfs/dbraw/zinc/45/59/78/558455978.db2.gz WLTSOWGNOBYJIJ-UHFFFAOYSA-N 1 2 404.532 3.051 50 0 HGAALO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccccc2N2CCCC2=O)CC1 ZINC000012787801 558463600 /nfs/dbraw/zinc/46/36/00/558463600.db2.gz MFSNUEQUHMJPTH-UHFFFAOYSA-N 1 2 407.514 3.088 50 0 HGAALO CC(=O)c1cc2c(cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc3c(c1)OCCO3)OCO2 ZINC000012801217 558471807 /nfs/dbraw/zinc/47/18/07/558471807.db2.gz BHALDFRKHJJJIF-GOSISDBHSA-N 1 2 424.453 3.165 50 0 HGAALO CC(=O)c1cc2c(cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc3c(c1)OCCO3)OCO2 ZINC000012801217 558471808 /nfs/dbraw/zinc/47/18/08/558471808.db2.gz BHALDFRKHJJJIF-GOSISDBHSA-N 1 2 424.453 3.165 50 0 HGAALO O=C(Nc1nc(C[NH+]2CCCC2)cs1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000012975466 558491043 /nfs/dbraw/zinc/49/10/43/558491043.db2.gz SDGLVCBWCXMWKW-QGZVFWFLSA-N 1 2 410.543 3.219 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1ccc2nsnc2c1 ZINC000022752432 558507809 /nfs/dbraw/zinc/50/78/09/558507809.db2.gz SSDLEALHKXMKHV-UHFFFAOYSA-N 1 2 401.923 3.101 50 0 HGAALO CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000022987653 558529269 /nfs/dbraw/zinc/52/92/69/558529269.db2.gz PHXNAPOPYQWLSN-CQSZACIVSA-N 1 2 422.982 3.105 50 0 HGAALO O=c1cc(C[NH+]2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)nc2sccn21 ZINC000023095805 558534049 /nfs/dbraw/zinc/53/40/49/558534049.db2.gz YFTQRZNXSVDBSB-UHFFFAOYSA-N 1 2 409.342 3.381 50 0 HGAALO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)C1=Cc2cc(Cl)ccc2OC1 ZINC000023199858 558542331 /nfs/dbraw/zinc/54/23/31/558542331.db2.gz HSQZZXQEGPJHIW-KRWDZBQOSA-N 1 2 404.919 3.367 50 0 HGAALO CCc1cc2c(C[NH+]3CCN(Cc4ccc(OC)cc4)CC3)cc(=O)oc2cc1O ZINC000023303747 558548681 /nfs/dbraw/zinc/54/86/81/558548681.db2.gz LELVPCKRLCCJBL-UHFFFAOYSA-N 1 2 408.498 3.387 50 0 HGAALO COc1ccc(C[N@@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@@H]2CCO)c(F)c1 ZINC000023358781 558551518 /nfs/dbraw/zinc/55/15/18/558551518.db2.gz ZBXLBFGEQTYVQS-KRWDZBQOSA-N 1 2 407.555 3.483 50 0 HGAALO COc1ccc(C[N@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@@H]2CCO)c(F)c1 ZINC000023358781 558551520 /nfs/dbraw/zinc/55/15/20/558551520.db2.gz ZBXLBFGEQTYVQS-KRWDZBQOSA-N 1 2 407.555 3.483 50 0 HGAALO C[N@H+](CCOc1ccc(Br)cc1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023652359 558564991 /nfs/dbraw/zinc/56/49/91/558564991.db2.gz FXGSWMMRZIXGKP-UHFFFAOYSA-N 1 2 424.339 3.362 50 0 HGAALO C[N@@H+](CCOc1ccc(Br)cc1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023652359 558564993 /nfs/dbraw/zinc/56/49/93/558564993.db2.gz FXGSWMMRZIXGKP-UHFFFAOYSA-N 1 2 424.339 3.362 50 0 HGAALO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023762845 558575010 /nfs/dbraw/zinc/57/50/10/558575010.db2.gz MXLKZNZSAQRNII-OAHLLOKOSA-N 1 2 404.436 3.200 50 0 HGAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023787365 558576001 /nfs/dbraw/zinc/57/60/01/558576001.db2.gz ADZQZQWHHNCPCY-UHFFFAOYSA-N 1 2 404.514 3.326 50 0 HGAALO COc1ccc([C@@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)c2ccccc2)cc1 ZINC000023873284 558579153 /nfs/dbraw/zinc/57/91/53/558579153.db2.gz JPYWZDCCVAYEHZ-VWLOTQADSA-N 1 2 416.525 3.118 50 0 HGAALO O=C(Nc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1)c1ccco1 ZINC000023873187 558579157 /nfs/dbraw/zinc/57/91/57/558579157.db2.gz SVMUKOQCQSKLKE-NRFANRHFSA-N 1 2 419.481 3.335 50 0 HGAALO O=C(COCc1nc2ccccc2s1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023995553 558584273 /nfs/dbraw/zinc/58/42/73/558584273.db2.gz KDGMJOFJPCNURD-UHFFFAOYSA-N 1 2 423.538 3.092 50 0 HGAALO COc1ccc([C@@H](NC(=O)CCc2nc(-c3cccs3)no2)c2[nH+]ccn2C)cc1 ZINC000024025923 558585082 /nfs/dbraw/zinc/58/50/82/558585082.db2.gz DRZFMZJQVSJGIU-LJQANCHMSA-N 1 2 423.498 3.379 50 0 HGAALO COCc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024082709 558588027 /nfs/dbraw/zinc/58/80/27/558588027.db2.gz MYVWYYZIRDTSDY-UHFFFAOYSA-N 1 2 406.482 3.472 50 0 HGAALO C[N@H+](CCOc1ccccc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000014076615 558618070 /nfs/dbraw/zinc/61/80/70/558618070.db2.gz VKNWTLOLJFSMLQ-UHFFFAOYSA-N 1 2 415.493 3.450 50 0 HGAALO C[N@@H+](CCOc1ccccc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000014076615 558618074 /nfs/dbraw/zinc/61/80/74/558618074.db2.gz VKNWTLOLJFSMLQ-UHFFFAOYSA-N 1 2 415.493 3.450 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)CSc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC000025256854 558636198 /nfs/dbraw/zinc/63/61/98/558636198.db2.gz IGUKFMYPJCQXRW-HNNXBMFYSA-N 1 2 407.421 3.227 50 0 HGAALO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Br)cc(Br)c1O ZINC000025703352 558648436 /nfs/dbraw/zinc/64/84/36/558648436.db2.gz VLXOAKIQLNWNOJ-UHFFFAOYSA-N 1 2 408.134 3.235 50 0 HGAALO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3nccs3)CC2)C1=O ZINC000014740516 558666721 /nfs/dbraw/zinc/66/67/21/558666721.db2.gz NCTOEGAVPWPUSP-UHFFFAOYSA-N 1 2 412.559 3.393 50 0 HGAALO Cc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC000027533413 558674350 /nfs/dbraw/zinc/67/43/50/558674350.db2.gz QQJBTEWWDGYEQY-UHFFFAOYSA-N 1 2 409.349 3.264 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c1 ZINC000029985847 558725396 /nfs/dbraw/zinc/72/53/96/558725396.db2.gz WOEUFKAKJSXDGJ-UHFFFAOYSA-N 1 2 405.498 3.453 50 0 HGAALO CSc1cccc(N2C[C@@H](C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2=O)c1 ZINC000030218026 558728158 /nfs/dbraw/zinc/72/81/58/558728158.db2.gz MOVXELWCMIFMQP-IBGZPJMESA-N 1 2 420.538 3.323 50 0 HGAALO CCOc1ccc(-c2noc(CCC(=O)NCc3cc[nH+]c(N4CCCC4)c3)n2)cc1 ZINC000030610273 558734146 /nfs/dbraw/zinc/73/41/46/558734146.db2.gz WSXGVSJUUOIDME-UHFFFAOYSA-N 1 2 421.501 3.380 50 0 HGAALO O=C(Nc1nc2ccccc2s1)c1ccc(SCC[NH+]2CCOCC2)nc1 ZINC000033115235 558761298 /nfs/dbraw/zinc/76/12/98/558761298.db2.gz HOCYCWYUGAONSP-UHFFFAOYSA-N 1 2 400.529 3.368 50 0 HGAALO CCN1C[C@H](C[N@H+](C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)Oc2ccccc21 ZINC000016423469 558790729 /nfs/dbraw/zinc/79/07/29/558790729.db2.gz XADONMJIQNKGTJ-KRWDZBQOSA-N 1 2 424.501 3.473 50 0 HGAALO CCN1C[C@H](C[N@@H+](C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)Oc2ccccc21 ZINC000016423469 558790731 /nfs/dbraw/zinc/79/07/31/558790731.db2.gz XADONMJIQNKGTJ-KRWDZBQOSA-N 1 2 424.501 3.473 50 0 HGAALO O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccco1 ZINC000032978604 558803707 /nfs/dbraw/zinc/80/37/07/558803707.db2.gz AFQYUNURQNOWQT-GOSISDBHSA-N 1 2 424.526 3.312 50 0 HGAALO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528414 558812036 /nfs/dbraw/zinc/81/20/36/558812036.db2.gz WCDDXHBLLCZBTN-UHFFFAOYSA-N 1 2 415.925 3.091 50 0 HGAALO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528414 558812039 /nfs/dbraw/zinc/81/20/39/558812039.db2.gz WCDDXHBLLCZBTN-UHFFFAOYSA-N 1 2 415.925 3.091 50 0 HGAALO Cc1ccccc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000019112622 558841696 /nfs/dbraw/zinc/84/16/96/558841696.db2.gz MWVWKYYLFYNUFB-OAQYLSRUSA-N 1 2 420.557 3.371 50 0 HGAALO OCC[C@H]1C[N@H+](Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1cccs1 ZINC000019229409 558853366 /nfs/dbraw/zinc/85/33/66/558853366.db2.gz DRRQXIMLTKEPPG-IBGZPJMESA-N 1 2 410.543 3.399 50 0 HGAALO OCC[C@H]1C[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1cccs1 ZINC000019229409 558853369 /nfs/dbraw/zinc/85/33/69/558853369.db2.gz DRRQXIMLTKEPPG-IBGZPJMESA-N 1 2 410.543 3.399 50 0 HGAALO Cc1ccc(C)c(OCCC(=O)OCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000022201848 558865250 /nfs/dbraw/zinc/86/52/50/558865250.db2.gz LTMSDULTACNEQX-HSZRJFAPSA-N 1 2 421.497 3.255 50 0 HGAALO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)NC3(CCC(C)CC3)C2=O)c(OC)c1 ZINC000058173688 558908744 /nfs/dbraw/zinc/90/87/44/558908744.db2.gz JEIWHUQEVQSMLO-TUAABQIMSA-N 1 2 401.507 3.299 50 0 HGAALO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)NC3(CCC(C)CC3)C2=O)c(OC)c1 ZINC000058173688 558908747 /nfs/dbraw/zinc/90/87/47/558908747.db2.gz JEIWHUQEVQSMLO-TUAABQIMSA-N 1 2 401.507 3.299 50 0 HGAALO COc1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc(OC)c1OC ZINC000019549552 558914460 /nfs/dbraw/zinc/91/44/60/558914460.db2.gz XLDVRGCPSQIYRD-UHFFFAOYSA-N 1 2 404.894 3.324 50 0 HGAALO Cc1cccc(C(C)C)c1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000058304504 558917728 /nfs/dbraw/zinc/91/77/28/558917728.db2.gz FCNSDGVAQOOQDS-UHFFFAOYSA-N 1 2 409.534 3.374 50 0 HGAALO CCOc1ccccc1NC(=O)N1CCN(c2cc(-n3c[nH+]c(C)c3C)ncn2)CC1 ZINC000072117576 558927497 /nfs/dbraw/zinc/92/74/97/558927497.db2.gz KAPSJFWUMPEMFY-UHFFFAOYSA-N 1 2 421.505 3.032 50 0 HGAALO Cc1c(C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2ccccc2n1C ZINC000019708102 558970250 /nfs/dbraw/zinc/97/02/50/558970250.db2.gz QLCSUQQNMMENFY-UHFFFAOYSA-N 1 2 405.498 3.216 50 0 HGAALO COc1ccc2ccc(OCc3nc(C(=O)NCc4ccc[nH+]c4N)co3)cc2c1 ZINC000067714285 558991871 /nfs/dbraw/zinc/99/18/71/558991871.db2.gz CGQFEMJMLYHZCW-UHFFFAOYSA-N 1 2 404.426 3.323 50 0 HGAALO O=C(Nc1nccs1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023105432 559009706 /nfs/dbraw/zinc/00/97/06/559009706.db2.gz ZGTZKFFMYMVIJY-UHFFFAOYSA-N 1 2 406.511 3.015 50 0 HGAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(cccc3F)s2)on1 ZINC000023128094 559016297 /nfs/dbraw/zinc/01/62/97/559016297.db2.gz MWXWWMVIKQBNAX-UHFFFAOYSA-N 1 2 404.467 3.101 50 0 HGAALO Cc1[nH+]cn(-c2cc(NCCNC(=O)c3cccc(C(F)(F)F)c3)ncn2)c1C ZINC000082230379 559042750 /nfs/dbraw/zinc/04/27/50/559042750.db2.gz JGHUYCZJUVILHS-UHFFFAOYSA-N 1 2 404.396 3.140 50 0 HGAALO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c(C)c1 ZINC000011719556 559255064 /nfs/dbraw/zinc/25/50/64/559255064.db2.gz XWIFJRJDBBQPLJ-MRXNPFEDSA-N 1 2 421.588 3.135 50 0 HGAALO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000061943456 560562265 /nfs/dbraw/zinc/56/22/65/560562265.db2.gz RCBLBIWHIRLJGC-UHFFFAOYSA-N 1 2 406.486 3.024 50 0 HGAALO CC(C)c1ccc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000017196754 560704259 /nfs/dbraw/zinc/70/42/59/560704259.db2.gz KYNGBOGEFWBECF-NRFANRHFSA-N 1 2 416.481 3.071 50 0 biogenic HGAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3cccnc3SC(F)F)CC2)cc1 ZINC000018121278 560777698 /nfs/dbraw/zinc/77/76/98/560777698.db2.gz GXKBNKTWIGFCRF-UHFFFAOYSA-N 1 2 423.485 3.242 50 0 HGAALO COc1cccc(CNC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)c1 ZINC000014803926 560852190 /nfs/dbraw/zinc/85/21/90/560852190.db2.gz SRYIBBWIKALOCR-UHFFFAOYSA-N 1 2 423.473 3.372 50 0 HGAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccccc3)CC2)N(C[C@@H](C)CC)C1=O ZINC000104949843 560857531 /nfs/dbraw/zinc/85/75/31/560857531.db2.gz CKVREYRKLOMHKH-NLWGTHIKSA-N 1 2 421.607 3.060 50 0 HGAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000022907441 568415895 /nfs/dbraw/zinc/41/58/95/568415895.db2.gz ZULJTSLWBBEOTM-HXUWFJFHSA-N 1 2 407.445 3.273 50 0 HGAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000022907441 568415897 /nfs/dbraw/zinc/41/58/97/568415897.db2.gz ZULJTSLWBBEOTM-HXUWFJFHSA-N 1 2 407.445 3.273 50 0 HGAALO C[C@@H](NC(=O)C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907558 568415973 /nfs/dbraw/zinc/41/59/73/568415973.db2.gz PTKKRAHNDJQKSV-XMSQKQJNSA-N 1 2 417.509 3.373 50 0 HGAALO C[C@@H](NC(=O)C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907558 568415974 /nfs/dbraw/zinc/41/59/74/568415974.db2.gz PTKKRAHNDJQKSV-XMSQKQJNSA-N 1 2 417.509 3.373 50 0 HGAALO Cc1cc(N2CCN([C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000048236332 568432919 /nfs/dbraw/zinc/43/29/19/568432919.db2.gz OZJWRVQGYYCTTL-RBUKOAKNSA-N 1 2 407.562 3.397 50 0 HGAALO CCOc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000048289405 568434856 /nfs/dbraw/zinc/43/48/56/568434856.db2.gz RJJLBVWMYCQSDB-IRXDYDNUSA-N 1 2 406.548 3.016 50 0 HGAALO COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[N@H+](C)CCOc2ccc(C)cc2)C1=O ZINC000049612960 568452739 /nfs/dbraw/zinc/45/27/39/568452739.db2.gz OVVBFTOCFNINIY-XMMPIXPASA-N 1 2 423.513 3.055 50 0 HGAALO COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[N@@H+](C)CCOc2ccc(C)cc2)C1=O ZINC000049612960 568452741 /nfs/dbraw/zinc/45/27/41/568452741.db2.gz OVVBFTOCFNINIY-XMMPIXPASA-N 1 2 423.513 3.055 50 0 HGAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000022784066 568499663 /nfs/dbraw/zinc/49/96/63/568499663.db2.gz SPABTXVXMBLNDW-FQEVSTJZSA-N 1 2 414.594 3.039 50 0 HGAALO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)cc(OC)c1OC ZINC000095412437 568606751 /nfs/dbraw/zinc/60/67/51/568606751.db2.gz BOQZJULYUFTSFZ-SFHVURJKSA-N 1 2 412.486 3.388 50 0 HGAALO COc1cc(NC(=O)C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)cc(OC)c1OC ZINC000095412437 568606752 /nfs/dbraw/zinc/60/67/52/568606752.db2.gz BOQZJULYUFTSFZ-SFHVURJKSA-N 1 2 412.486 3.388 50 0 HGAALO Cc1c[nH+]c(N2CCC(c3ccnn3C)CC2)nc1N1CCC(c2ccnn2C)CC1 ZINC000095409759 568606781 /nfs/dbraw/zinc/60/67/81/568606781.db2.gz CTPXJPVTCJQDFU-UHFFFAOYSA-N 1 2 420.565 3.020 50 0 HGAALO COc1ccc2oc(=O)cc(C[NH+]3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1 ZINC000020463631 568609932 /nfs/dbraw/zinc/60/99/32/568609932.db2.gz OAJMOGGGRWBZJP-UHFFFAOYSA-N 1 2 412.873 3.413 50 0 HGAALO O=C(NCc1ccccc1)c1cccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000095476094 568630185 /nfs/dbraw/zinc/63/01/85/568630185.db2.gz ULUMNMRSIPCAKJ-UHFFFAOYSA-N 1 2 415.497 3.366 50 0 HGAALO CCN1CC[NH+]([C@H](c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098071 568665866 /nfs/dbraw/zinc/66/58/66/568665866.db2.gz RYLLGGAZTIEQES-HSZRJFAPSA-N 1 2 407.514 3.231 50 0 aggregator HGAALO CC[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1ccccc1 ZINC000021109063 568668004 /nfs/dbraw/zinc/66/80/04/568668004.db2.gz JUPMNWVBBAPWAI-UHFFFAOYSA-N 1 2 415.559 3.136 50 0 HGAALO CC[N@@H+](CCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1ccccc1 ZINC000021109063 568668007 /nfs/dbraw/zinc/66/80/07/568668007.db2.gz JUPMNWVBBAPWAI-UHFFFAOYSA-N 1 2 415.559 3.136 50 0 HGAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000095957793 568669531 /nfs/dbraw/zinc/66/95/31/568669531.db2.gz BHXHWPLYXLMJMW-UHFFFAOYSA-N 1 2 422.554 3.355 50 0 HGAALO O=C(C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1)N1CCOCC1 ZINC000021158762 568674119 /nfs/dbraw/zinc/67/41/19/568674119.db2.gz QUBLGIQJVYIKBR-UHFFFAOYSA-N 1 2 422.504 3.299 50 0 HGAALO CCS(=O)(=O)c1ccc(CCC(=O)Nc2cc[nH+]cc2N2CCCCC2)cc1 ZINC000096011170 568683977 /nfs/dbraw/zinc/68/39/77/568683977.db2.gz CUCOKTYXPDBFSM-UHFFFAOYSA-N 1 2 401.532 3.437 50 0 HGAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CC1 ZINC000096012308 568684903 /nfs/dbraw/zinc/68/49/03/568684903.db2.gz HXCWHQDBSOTOCR-UHFFFAOYSA-N 1 2 421.950 3.368 50 0 HGAALO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CC1 ZINC000096012308 568684905 /nfs/dbraw/zinc/68/49/05/568684905.db2.gz HXCWHQDBSOTOCR-UHFFFAOYSA-N 1 2 421.950 3.368 50 0 HGAALO COC(=O)C[C@@H](c1ccc(OCc2nccn2C)cc1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096232220 568708026 /nfs/dbraw/zinc/70/80/26/568708026.db2.gz WOPUPWDRZUJBIM-HNNXBMFYSA-N 1 2 424.482 3.404 50 0 HGAALO O=C1CCC(C[NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000241776848 568731822 /nfs/dbraw/zinc/73/18/22/568731822.db2.gz RTDKEWSPOCQIMY-UHFFFAOYSA-N 1 2 405.347 3.059 50 0 HGAALO CCCn1c2ccccc2n(CCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1=O ZINC000021929913 568761595 /nfs/dbraw/zinc/76/15/95/568761595.db2.gz MAHUIWYSIFGMOU-UHFFFAOYSA-N 1 2 412.559 3.009 50 0 HGAALO COc1ccc(N(CCC(N)=O)C(=O)C[N@H+](C)Cc2cccc(Cl)c2Cl)cc1 ZINC000022010564 568764337 /nfs/dbraw/zinc/76/43/37/568764337.db2.gz RGWAASBUWRKQOK-UHFFFAOYSA-N 1 2 424.328 3.342 50 0 HGAALO COc1ccc(N(CCC(N)=O)C(=O)C[N@@H+](C)Cc2cccc(Cl)c2Cl)cc1 ZINC000022010564 568764338 /nfs/dbraw/zinc/76/43/38/568764338.db2.gz RGWAASBUWRKQOK-UHFFFAOYSA-N 1 2 424.328 3.342 50 0 HGAALO CCCn1c2ccc(Cl)cc2nc1SCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000022133848 568764981 /nfs/dbraw/zinc/76/49/81/568764981.db2.gz MDZMTSDDZSHPMT-UHFFFAOYSA-N 1 2 424.998 3.419 50 0 HGAALO S=c1[nH]nc(CCN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1-c1ccccc1 ZINC000022595026 568771261 /nfs/dbraw/zinc/77/12/61/568771261.db2.gz BSLWBIFWROQPEE-UHFFFAOYSA-N 1 2 423.542 3.019 50 0 HGAALO COc1ccc([C@@H](C2Sc3ncnn3C2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022609451 568771743 /nfs/dbraw/zinc/77/17/43/568771743.db2.gz ALPZGXZXMWFFLN-IBGZPJMESA-N 1 2 421.526 3.417 50 0 HGAALO Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H](c3ccsc3)[NH+]3CCC3)cc2)co1 ZINC000225594980 568775658 /nfs/dbraw/zinc/77/56/58/568775658.db2.gz RXRXSFLLOUCPPL-IBGZPJMESA-N 1 2 403.529 3.437 50 0 HGAALO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000052714391 568822046 /nfs/dbraw/zinc/82/20/46/568822046.db2.gz XEVFYCJPCCCEAF-FGZHOGPDSA-N 1 2 407.514 3.292 50 0 HGAALO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000052714391 568822047 /nfs/dbraw/zinc/82/20/47/568822047.db2.gz XEVFYCJPCCCEAF-FGZHOGPDSA-N 1 2 407.514 3.292 50 0 HGAALO Cc1ccc(C)c(NC(=O)CN(C)C(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000057449665 568837255 /nfs/dbraw/zinc/83/72/55/568837255.db2.gz FYFPXBHKCBTDPM-UHFFFAOYSA-N 1 2 422.573 3.139 50 0 HGAALO COc1ccc([C@H](NC(=O)CCCn2c(=O)oc3ccccc32)c2[nH+]ccn2C)cc1 ZINC000012550041 568852302 /nfs/dbraw/zinc/85/23/02/568852302.db2.gz OOGRLZZEHZJGGS-NRFANRHFSA-N 1 2 420.469 3.023 50 0 HGAALO Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000012560370 568858258 /nfs/dbraw/zinc/85/82/58/568858258.db2.gz AQAWKOHLPMBIOA-HXUWFJFHSA-N 1 2 410.905 3.326 50 0 HGAALO CCOC(=O)C1CC[NH+]([C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000058012548 568876117 /nfs/dbraw/zinc/87/61/17/568876117.db2.gz HRMOMVCSGOWNSH-OAQYLSRUSA-N 1 2 410.470 3.370 50 0 HGAALO COC(=O)c1cn([C@H](Cc2ccccc2)c2[nH]c3ccccc3[nH+]2)cc2c(=O)[nH]nc1-2 ZINC000263588136 568883524 /nfs/dbraw/zinc/88/35/24/568883524.db2.gz PLXWOXLQKQAQDG-LJQANCHMSA-N 1 2 413.437 3.171 50 0 HGAALO CC(C)(C)C(=O)NCCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000012772575 568952786 /nfs/dbraw/zinc/95/27/86/568952786.db2.gz RSTYAJOTURWQRN-UHFFFAOYSA-N 1 2 400.548 3.192 50 0 HGAALO CC(C)(C)C(=O)NCCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012772575 568952787 /nfs/dbraw/zinc/95/27/87/568952787.db2.gz RSTYAJOTURWQRN-UHFFFAOYSA-N 1 2 400.548 3.192 50 0 HGAALO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)N(C)CC(=O)Nc1cc(C)ccc1C ZINC000008005922 568967815 /nfs/dbraw/zinc/96/78/15/568967815.db2.gz FEDPHWOHCPCWFE-UHFFFAOYSA-N 1 2 417.937 3.494 50 0 HGAALO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)N(C)CC(=O)Nc1cc(C)ccc1C ZINC000008005922 568967817 /nfs/dbraw/zinc/96/78/17/568967817.db2.gz FEDPHWOHCPCWFE-UHFFFAOYSA-N 1 2 417.937 3.494 50 0 HGAALO Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCCn2cc[nH+]c2)c1=O ZINC000008020462 568968805 /nfs/dbraw/zinc/96/88/05/568968805.db2.gz YBLSGJJXFFGXIO-UHFFFAOYSA-N 1 2 413.481 3.131 50 0 HGAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1N1CCCC1 ZINC000008194105 568982041 /nfs/dbraw/zinc/98/20/41/568982041.db2.gz ANUBQOZHRONWON-UHFFFAOYSA-N 1 2 406.530 3.250 50 0 HGAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1N1CCCC1 ZINC000008194105 568982044 /nfs/dbraw/zinc/98/20/44/568982044.db2.gz ANUBQOZHRONWON-UHFFFAOYSA-N 1 2 406.530 3.250 50 0 HGAALO CCn1cc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(=O)c2ccc(C)nc21 ZINC000008342817 568993823 /nfs/dbraw/zinc/99/38/23/568993823.db2.gz 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O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(C2=CSC3=[NH+]CCCN23)cc1 ZINC000012855034 569010930 /nfs/dbraw/zinc/01/09/30/569010930.db2.gz LLLVAZKIRRZLBV-UHFFFAOYSA-N 1 2 418.478 3.028 50 0 HGAALO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C)CC2 ZINC000012864947 569012067 /nfs/dbraw/zinc/01/20/67/569012067.db2.gz KWLPFGTXJVXSAQ-MRXNPFEDSA-N 1 2 411.502 3.416 50 0 HGAALO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C)CC2 ZINC000012864947 569012068 /nfs/dbraw/zinc/01/20/68/569012068.db2.gz KWLPFGTXJVXSAQ-MRXNPFEDSA-N 1 2 411.502 3.416 50 0 HGAALO O=C(NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)C(=O)NC1CCCCCC1 ZINC000015882579 569019122 /nfs/dbraw/zinc/01/91/22/569019122.db2.gz OTVVZNABSABRMH-HSZRJFAPSA-N 1 2 420.557 3.136 50 0 HGAALO O=C(NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)C(=O)NC1CCCCCC1 ZINC000015882579 569019123 /nfs/dbraw/zinc/01/91/23/569019123.db2.gz OTVVZNABSABRMH-HSZRJFAPSA-N 1 2 420.557 3.136 50 0 HGAALO O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575620289 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O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000007916033 132326350 /nfs/dbraw/zinc/32/63/50/132326350.db2.gz OMQTUNIGWLVKEY-IBGZPJMESA-N 1 2 404.436 3.242 50 0 HGAALO Cc1cc(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)[nH+]1 ZINC000008312224 132329310 /nfs/dbraw/zinc/32/93/10/132329310.db2.gz SKYSCEKRRBJXQQ-SOFGYWHQSA-N 1 2 422.529 3.432 50 0 HGAALO O=c1cc(-c2ccccc2Cl)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]1 ZINC000008914188 132334096 /nfs/dbraw/zinc/33/40/96/132334096.db2.gz KGKOUEAUSHXTJK-UHFFFAOYSA-N 1 2 424.888 3.141 50 0 HGAALO Cc1nc2sc3c(c2c(N2CC[NH+]([C@@H](C(N)=O)c4ccccc4)CC2)n1)CCCC3 ZINC000012819110 132367605 /nfs/dbraw/zinc/36/76/05/132367605.db2.gz PZSFOHOHWQBKQC-HXUWFJFHSA-N 1 2 421.570 3.227 50 0 HGAALO Cc1ccccc1Cn1nnc2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)ccc21 ZINC000035514856 132802389 /nfs/dbraw/zinc/80/23/89/132802389.db2.gz WKVPVQHVINVQQB-UHFFFAOYSA-N 1 2 412.497 3.145 50 0 HGAALO CC(C)c1c(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cnn1Cc1ccccc1 ZINC000032638174 519830665 /nfs/dbraw/zinc/83/06/65/519830665.db2.gz CSRZEWNGSAWGKG-UHFFFAOYSA-N 1 2 419.529 3.216 50 0 HGAALO CC[N@@H+](Cc1nc(N)nc(Nc2ccccc2C)n1)C[C@H]1COc2ccccc2O1 ZINC000032654933 521451383 /nfs/dbraw/zinc/45/13/83/521451383.db2.gz XDMVENUCEQJHAS-INIZCTEOSA-N 1 2 406.490 3.168 50 0 HGAALO CC[N@H+](Cc1nc(N)nc(Nc2ccccc2C)n1)C[C@H]1COc2ccccc2O1 ZINC000032654933 521451389 /nfs/dbraw/zinc/45/13/89/521451389.db2.gz XDMVENUCEQJHAS-INIZCTEOSA-N 1 2 406.490 3.168 50 0 HGAALO CC[C@@H](O)CNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@@H+](C)C3 ZINC000020547334 523009688 /nfs/dbraw/zinc/00/96/88/523009688.db2.gz GPDLYNFZECKLBP-CQSZACIVSA-N 1 2 418.950 3.271 50 0 HGAALO CC[C@@H](O)CNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@H+](C)C3 ZINC000020547334 523009702 /nfs/dbraw/zinc/00/97/02/523009702.db2.gz GPDLYNFZECKLBP-CQSZACIVSA-N 1 2 418.950 3.271 50 0 HGAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)cc1 ZINC000043135952 523182969 /nfs/dbraw/zinc/18/29/69/523182969.db2.gz 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C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000032638189 525947995 /nfs/dbraw/zinc/94/79/95/525947995.db2.gz HDSZUOKBLLPHGT-ZDUSSCGKSA-N 1 2 410.301 3.309 50 0 HGAALO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000032679546 526085200 /nfs/dbraw/zinc/08/52/00/526085200.db2.gz KWKBNQBXIUUJIV-OAHLLOKOSA-N 1 2 422.392 3.333 50 0 HGAALO Cc1ccc2[nH+]c(COC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)cn2c1 ZINC000032829934 526250450 /nfs/dbraw/zinc/25/04/50/526250450.db2.gz LSUBEMFADGDLCX-UHFFFAOYSA-N 1 2 413.499 3.174 50 0 HGAALO Cc1nc(-c2ccccn2)sc1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000031952720 526609370 /nfs/dbraw/zinc/60/93/70/526609370.db2.gz YXVDCFNPKCUCGY-UHFFFAOYSA-N 1 2 420.538 3.406 50 0 HGAALO O=C(NCc1cn2ccccc2[nH+]1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000045015513 526804154 /nfs/dbraw/zinc/80/41/54/526804154.db2.gz ALPROZCPUTZLPA-UHFFFAOYSA-N 1 2 405.479 3.238 50 0 HGAALO O=C(c1csc(-c2ccccc2)n1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000032740601 526900187 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HGAALO Cc1nn(C)c(Cl)c1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000032879841 527665005 /nfs/dbraw/zinc/66/50/05/527665005.db2.gz ODOIAIOBMQWFRI-UHFFFAOYSA-N 1 2 400.832 3.359 50 0 HGAALO COc1cc(C)c(C[NH+]2CCN([C@H](C)C(=O)Nc3ccc(C)cc3)CC2)cc1OC ZINC000022789385 557821869 /nfs/dbraw/zinc/82/18/69/557821869.db2.gz NNXVXWJQEVXQCC-LJQANCHMSA-N 1 2 411.546 3.465 50 0 HGAALO CCn1ccnc1C[NH+]1CCC(n2nccc2NC(=O)[C@H](OC)c2ccccc2)CC1 ZINC000011663278 558266965 /nfs/dbraw/zinc/26/69/65/558266965.db2.gz VNSUCIKXXIPAIT-JOCHJYFZSA-N 1 2 422.533 3.263 50 0 HGAALO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1CCC[NH+]1CCOCC1 ZINC000020219623 558348618 /nfs/dbraw/zinc/34/86/18/558348618.db2.gz VUONXWKIRCJERR-OAQYLSRUSA-N 1 2 422.456 3.200 50 0 HGAALO O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000020223877 558349362 /nfs/dbraw/zinc/34/93/62/558349362.db2.gz FYYIAYNXHLFGKJ-UHFFFAOYSA-N 1 2 405.829 3.265 50 0 HGAALO COc1ccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)CC[N@@H+](C)C4)cc1 ZINC000020394123 558359315 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CCCCn1c(CN(C)Cc2[nH+]ccn2C)cnc1S(=O)(=O)CCCC(C)C ZINC000012300447 558370292 /nfs/dbraw/zinc/37/02/92/558370292.db2.gz VXMADWCEPQPZDD-UHFFFAOYSA-N 1 2 409.600 3.259 50 0 HGAALO COc1ccc(Cc2nc3ccc(C(=O)NCc4[nH]cc(C)[nH+]4)cc3o2)cc1OC ZINC000012430801 558405513 /nfs/dbraw/zinc/40/55/13/558405513.db2.gz BFESKQBNWGKTLL-UHFFFAOYSA-N 1 2 406.442 3.397 50 0 HGAALO Cc1ccc2[nH+]c(CNC(=O)[C@@H]3CCC(=O)N(CCCc4ccccc4)C3)cn2c1 ZINC000012434369 558408276 /nfs/dbraw/zinc/40/82/76/558408276.db2.gz JTJQKZSPPUFKHI-HXUWFJFHSA-N 1 2 404.514 3.130 50 0 HGAALO CC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)[nH]n1 ZINC000012439703 558411321 /nfs/dbraw/zinc/41/13/21/558411321.db2.gz NKGZTNRGHJATED-NRFANRHFSA-N 1 2 402.445 3.019 50 0 HGAALO CC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)[nH]n1 ZINC000012439703 558411324 /nfs/dbraw/zinc/41/13/24/558411324.db2.gz NKGZTNRGHJATED-NRFANRHFSA-N 1 2 402.445 3.019 50 0 HGAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000004341786 558425661 /nfs/dbraw/zinc/42/56/61/558425661.db2.gz HEDXILNNLBCFKU-HZPDHXFCSA-N 1 2 411.531 3.160 50 0 HGAALO O=C(CNC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1)Nc1ccc(F)c(F)c1 ZINC000021582104 558441882 /nfs/dbraw/zinc/44/18/82/558441882.db2.gz PLWJJYPGPPCSFT-UHFFFAOYSA-N 1 2 413.424 3.315 50 0 HGAALO O=C(CNC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1)Nc1ccc(F)c(F)c1 ZINC000021582104 558441888 /nfs/dbraw/zinc/44/18/88/558441888.db2.gz PLWJJYPGPPCSFT-UHFFFAOYSA-N 1 2 413.424 3.315 50 0 HGAALO COc1ccc(NC(=O)c2ccc(C[N@@H+]3Cc4ccccc4C[C@H]3C(N)=O)cc2)cc1 ZINC000022011400 558457877 /nfs/dbraw/zinc/45/78/77/558457877.db2.gz LJVMRUXWZIMLIJ-QHCPKHFHSA-N 1 2 415.493 3.360 50 0 HGAALO COc1ccc(NC(=O)c2ccc(C[N@H+]3Cc4ccccc4C[C@H]3C(N)=O)cc2)cc1 ZINC000022011400 558457878 /nfs/dbraw/zinc/45/78/78/558457878.db2.gz LJVMRUXWZIMLIJ-QHCPKHFHSA-N 1 2 415.493 3.360 50 0 HGAALO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3cccc(S(C)(=O)=O)c3)nc21 ZINC000005242616 558465139 /nfs/dbraw/zinc/46/51/39/558465139.db2.gz 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CCOc1ccc(CN2CC[N@H+](Cc3cc(OC)ccc3OC)C[C@@H]2CCO)cc1 ZINC000023360645 558552150 /nfs/dbraw/zinc/55/21/50/558552150.db2.gz HRPZILAMZSWTGJ-NRFANRHFSA-N 1 2 414.546 3.171 50 0 HGAALO CCOc1ccc(CN2CC[N@@H+](Cc3cc(OC)ccc3OC)C[C@@H]2CCO)cc1 ZINC000023360645 558552153 /nfs/dbraw/zinc/55/21/53/558552153.db2.gz HRPZILAMZSWTGJ-NRFANRHFSA-N 1 2 414.546 3.171 50 0 HGAALO Cc1ccc(C(=O)N/C(=C/c2ccccc2F)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000013659276 558559574 /nfs/dbraw/zinc/55/95/74/558559574.db2.gz JNEPBXNOXLMORC-RCCKNPSSSA-N 1 2 406.461 3.308 50 0 HGAALO O=C(c1cccs1)N1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000023763687 558575247 /nfs/dbraw/zinc/57/52/47/558575247.db2.gz YWOMGPYYMRDTKH-SFHVURJKSA-N 1 2 417.962 3.351 50 0 HGAALO O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023866572 558578460 /nfs/dbraw/zinc/57/84/60/558578460.db2.gz OOZJGQDTXLHHLJ-UHFFFAOYSA-N 1 2 419.550 3.489 50 0 HGAALO CC(=O)Nc1nc2ccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)cc2s1 ZINC000013725042 558583948 /nfs/dbraw/zinc/58/39/48/558583948.db2.gz KPNRJLSSQUSGHU-UHFFFAOYSA-N 1 2 410.499 3.339 50 0 HGAALO CC[C@@H](c1nnc(S[C@@H](C)C(=O)N2CCCC2)n1Cc1ccccc1)[NH+](C)C ZINC000004494505 558610105 /nfs/dbraw/zinc/61/01/05/558610105.db2.gz OXQFZWUCANOXEM-WMZOPIPTSA-N 1 2 401.580 3.442 50 0 HGAALO COc1cccc(C[NH+]2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c1 ZINC000014239762 558643060 /nfs/dbraw/zinc/64/30/60/558643060.db2.gz DVQPQXRQBWWVRZ-UHFFFAOYSA-N 1 2 402.560 3.435 50 0 HGAALO Cc1cc(=O)c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)nn1-c1ccc(Cl)cc1 ZINC000025813074 558650747 /nfs/dbraw/zinc/65/07/47/558650747.db2.gz RPUOOLNRDFGYOU-QGZVFWFLSA-N 1 2 416.934 3.289 50 0 HGAALO COc1cccc(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)c1OC ZINC000026080927 558654950 /nfs/dbraw/zinc/65/49/50/558654950.db2.gz NXJLOHWJNVONPL-UHFFFAOYSA-N 1 2 404.894 3.194 50 0 HGAALO Cc1ccc(SCCNC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1C ZINC000026386513 558660065 /nfs/dbraw/zinc/66/00/65/558660065.db2.gz LCDKPCFZPZBKNN-UHFFFAOYSA-N 1 2 400.548 3.127 50 0 HGAALO CCOc1ccc(CC(=O)N[C@H](c2[nH+]ccn2C)c2cc(OC)cc(OC)c2)cc1 ZINC000029130086 558710480 /nfs/dbraw/zinc/71/04/80/558710480.db2.gz QHIJEXZLFDTCDF-QFIPXVFZSA-N 1 2 409.486 3.284 50 0 HGAALO COc1cccc([C@@H](NC(=O)NCCCc2nc3ccccc3[nH]2)c2[nH+]ccn2C)c1 ZINC000029725691 558719285 /nfs/dbraw/zinc/71/92/85/558719285.db2.gz QCEQQUMEMTYDFC-OAQYLSRUSA-N 1 2 418.501 3.326 50 0 HGAALO CCc1cccc(N2C[C@@H](C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2=O)c1 ZINC000030216724 558728153 /nfs/dbraw/zinc/72/81/53/558728153.db2.gz QGBBPUNNGVZFBT-NRFANRHFSA-N 1 2 402.498 3.163 50 0 HGAALO COc1ccc(NC(=O)COc2coc(C[N@@H+]3CCc4ccccc4C3)cc2=O)cc1 ZINC000004583875 558774405 /nfs/dbraw/zinc/77/44/05/558774405.db2.gz KSKQDCDXXGDCIT-UHFFFAOYSA-N 1 2 420.465 3.224 50 0 HGAALO COc1ccc(NC(=O)COc2coc(C[N@H+]3CCc4ccccc4C3)cc2=O)cc1 ZINC000004583875 558774407 /nfs/dbraw/zinc/77/44/07/558774407.db2.gz KSKQDCDXXGDCIT-UHFFFAOYSA-N 1 2 420.465 3.224 50 0 HGAALO Cc1ccc(S(=O)(=O)N2CC[NH+](CCCOc3ccccc3Cl)CC2)cc1 ZINC000034847945 558784654 /nfs/dbraw/zinc/78/46/54/558784654.db2.gz OFFGOOXHHGORKH-UHFFFAOYSA-N 1 2 408.951 3.424 50 0 HGAALO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528344 558811987 /nfs/dbraw/zinc/81/19/87/558811987.db2.gz RDOZCDKIGIXJJJ-UHFFFAOYSA-N 1 2 416.913 3.093 50 0 HGAALO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528344 558811989 /nfs/dbraw/zinc/81/19/89/558811989.db2.gz RDOZCDKIGIXJJJ-UHFFFAOYSA-N 1 2 416.913 3.093 50 0 HGAALO O=C(c1nc2ccc(Cl)cn2c1C[NH+]1CCC(O)CC1)N1CCCCCCC1 ZINC000019227111 558852858 /nfs/dbraw/zinc/85/28/58/558852858.db2.gz QGPQATWAISIQGL-UHFFFAOYSA-N 1 2 404.942 3.351 50 0 HGAALO COc1ccc(CCNC(=O)[C@@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)cc1OC ZINC000033071988 558866862 /nfs/dbraw/zinc/86/68/62/558866862.db2.gz ZMBWUCGMVRPBDT-GOSISDBHSA-N 1 2 422.529 3.464 50 0 HGAALO COc1ccc(CCNC(=O)[C@@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)cc1OC ZINC000033071988 558866863 /nfs/dbraw/zinc/86/68/63/558866863.db2.gz ZMBWUCGMVRPBDT-GOSISDBHSA-N 1 2 422.529 3.464 50 0 HGAALO COc1ccc(-c2noc(C[N@@H+]3CCN(c4ccccc4)C[C@@H]3C)n2)c(OC)c1OC ZINC000055036626 558870164 /nfs/dbraw/zinc/87/01/64/558870164.db2.gz AATLLWRRRFLICL-INIZCTEOSA-N 1 2 424.501 3.473 50 0 HGAALO COc1ccc(-c2noc(C[N@H+]3CCN(c4ccccc4)C[C@@H]3C)n2)c(OC)c1OC ZINC000055036626 558870167 /nfs/dbraw/zinc/87/01/67/558870167.db2.gz AATLLWRRRFLICL-INIZCTEOSA-N 1 2 424.501 3.473 50 0 HGAALO COc1ccc(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)cc1OC ZINC000019361454 558876427 /nfs/dbraw/zinc/87/64/27/558876427.db2.gz ZZDZGUKOJHSMAJ-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO COc1ccc(CN2CC[NH+](Cc3cc(OC)c(OC)cc3OC)CC2)cc1OC ZINC000019361454 558876428 /nfs/dbraw/zinc/87/64/28/558876428.db2.gz ZZDZGUKOJHSMAJ-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO COCCn1cc[nH+]c1CN(C)[C@H](c1nnnn1-c1ccccc1C)c1ccccc1 ZINC000055252786 558877610 /nfs/dbraw/zinc/87/76/10/558877610.db2.gz MXMZLAREFJRHAK-QFIPXVFZSA-N 1 2 417.517 3.035 50 0 HGAALO O=C(CSc1nccnc1Sc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033168941 558898629 /nfs/dbraw/zinc/89/86/29/558898629.db2.gz XJUIVBGQXKAOGR-UHFFFAOYSA-N 1 2 423.567 3.464 50 0 HGAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)cc1Br ZINC000058159619 558904674 /nfs/dbraw/zinc/90/46/74/558904674.db2.gz PMYWWTWSUZAVMX-UHFFFAOYSA-N 1 2 404.308 3.224 50 0 HGAALO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C)Cc1cccc(F)c1 ZINC000058160039 558904794 /nfs/dbraw/zinc/90/47/94/558904794.db2.gz CBDPJQVESUVVDE-UHFFFAOYSA-N 1 2 404.511 3.078 50 0 HGAALO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000058160039 558904796 /nfs/dbraw/zinc/90/47/96/558904796.db2.gz CBDPJQVESUVVDE-UHFFFAOYSA-N 1 2 404.511 3.078 50 0 HGAALO CCC[N@@H+]1CCN(Cc2ccc(Oc3ccccc3)cc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072408791 558977531 /nfs/dbraw/zinc/97/75/31/558977531.db2.gz KGVTVETZFGELAA-YADHBBJMSA-N 1 2 400.544 3.172 50 0 HGAALO CCC[N@H+]1CCN(Cc2ccc(Oc3ccccc3)cc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072408791 558977534 /nfs/dbraw/zinc/97/75/34/558977534.db2.gz KGVTVETZFGELAA-YADHBBJMSA-N 1 2 400.544 3.172 50 0 HGAALO Cc1ccc(S(=O)(=O)N(C/C=C/c2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000022996614 558982249 /nfs/dbraw/zinc/98/22/49/558982249.db2.gz ZRQOLHAMXFBSJS-RMKNXTFCSA-N 1 2 413.543 3.067 50 0 HGAALO O=C(COc1ccccc1)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000022997283 558982393 /nfs/dbraw/zinc/98/23/93/558982393.db2.gz WFZPZPUGYKMNGP-UHFFFAOYSA-N 1 2 411.527 3.431 50 0 HGAALO O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000067601775 558987540 /nfs/dbraw/zinc/98/75/40/558987540.db2.gz VPXDPNWUNYBAFA-UHFFFAOYSA-N 1 2 410.481 3.292 50 0 HGAALO COC(=O)c1c2c(sc1NC(=O)c1ccn(C)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000023128151 559016278 /nfs/dbraw/zinc/01/62/78/559016278.db2.gz XDABIRZZIROLAN-UHFFFAOYSA-N 1 2 410.499 3.079 50 0 HGAALO COC(=O)c1c2c(sc1NC(=O)c1ccn(C)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000023128151 559016279 /nfs/dbraw/zinc/01/62/79/559016279.db2.gz XDABIRZZIROLAN-UHFFFAOYSA-N 1 2 410.499 3.079 50 0 HGAALO C[NH+]1CCN(c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)s2)CC1 ZINC000023139716 559020116 /nfs/dbraw/zinc/02/01/16/559020116.db2.gz ILIOLVQTLJSWLP-UHFFFAOYSA-N 1 2 417.482 3.040 50 0 HGAALO O=C(C1CC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000095500334 559082261 /nfs/dbraw/zinc/08/22/61/559082261.db2.gz AOADIHHPGUQRTB-UHFFFAOYSA-N 1 2 402.901 3.488 50 0 HGAALO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(OC)c1 ZINC000252444238 559277256 /nfs/dbraw/zinc/27/72/56/559277256.db2.gz XVRDAHOIFCIAKM-FXCLAUTBSA-N 1 2 401.507 3.299 50 0 HGAALO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(OC)c1 ZINC000252444238 559277258 /nfs/dbraw/zinc/27/72/58/559277258.db2.gz XVRDAHOIFCIAKM-FXCLAUTBSA-N 1 2 401.507 3.299 50 0 HGAALO COc1cc(C[N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000002654665 560587183 /nfs/dbraw/zinc/58/71/83/560587183.db2.gz UDPYYCBYLBHUFK-UHFFFAOYSA-N 1 2 408.401 3.138 50 0 HGAALO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000002654665 560587184 /nfs/dbraw/zinc/58/71/84/560587184.db2.gz UDPYYCBYLBHUFK-UHFFFAOYSA-N 1 2 408.401 3.138 50 0 HGAALO C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4Cl)n[nH]3)c[nH+]2)CCO1 ZINC000046720655 560844021 /nfs/dbraw/zinc/84/40/21/560844021.db2.gz GAQVEJLQCMEGGS-CQSZACIVSA-N 1 2 411.893 3.280 50 0 HGAALO C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000048253067 568434406 /nfs/dbraw/zinc/43/44/06/568434406.db2.gz ULYGFFWWTJNVLA-OXJNMPFZSA-N 1 2 417.531 3.208 50 0 HGAALO CC(=O)N[C@@H](CC(=O)N1CC[NH+](Cc2ccccc2F)CC1)c1ccc(Cl)cc1 ZINC000048363107 568441685 /nfs/dbraw/zinc/44/16/85/568441685.db2.gz RJLSCOIRNZPCRZ-NRFANRHFSA-N 1 2 417.912 3.391 50 0 HGAALO CC[C@@]1(c2ccc(F)cc2)NC(=O)N(C[N@H+](C)CCOc2ccccc2F)C1=O ZINC000049574870 568452200 /nfs/dbraw/zinc/45/22/00/568452200.db2.gz ATPXCAVSPQWMSU-NRFANRHFSA-N 1 2 403.429 3.090 50 0 HGAALO CC[C@@]1(c2ccc(F)cc2)NC(=O)N(C[N@@H+](C)CCOc2ccccc2F)C1=O ZINC000049574870 568452201 /nfs/dbraw/zinc/45/22/01/568452201.db2.gz ATPXCAVSPQWMSU-NRFANRHFSA-N 1 2 403.429 3.090 50 0 HGAALO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+](C)CCOc2ccccc2)C1=O ZINC000049622747 568452764 /nfs/dbraw/zinc/45/27/64/568452764.db2.gz NCSARKOHCLLBTR-NRFANRHFSA-N 1 2 401.894 3.465 50 0 HGAALO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+](C)CCOc2ccccc2)C1=O ZINC000049622747 568452765 /nfs/dbraw/zinc/45/27/65/568452765.db2.gz NCSARKOHCLLBTR-NRFANRHFSA-N 1 2 401.894 3.465 50 0 HGAALO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)[C@H](c2ccccc2)C1 ZINC000024838984 568470690 /nfs/dbraw/zinc/47/06/90/568470690.db2.gz DGFUJRHSNXVMCR-QFIPXVFZSA-N 1 2 416.525 3.252 50 0 HGAALO C[N@H+]1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)[C@H](c2ccccc2)C1 ZINC000024838984 568470692 /nfs/dbraw/zinc/47/06/92/568470692.db2.gz DGFUJRHSNXVMCR-QFIPXVFZSA-N 1 2 416.525 3.252 50 0 HGAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)NCCc1c[nH]c2ccccc12 ZINC000022778024 568499480 /nfs/dbraw/zinc/49/94/80/568499480.db2.gz ZQAWYWJQQXHIHT-RMKNXTFCSA-N 1 2 402.542 3.158 50 0 HGAALO O=C(C[NH+]1CCN(C/C=C/c2ccccc2)CC1)NCCc1c[nH]c2ccccc12 ZINC000022778024 568499481 /nfs/dbraw/zinc/49/94/81/568499481.db2.gz ZQAWYWJQQXHIHT-RMKNXTFCSA-N 1 2 402.542 3.158 50 0 HGAALO C[NH+](C)[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccco1 ZINC000033024261 568510441 /nfs/dbraw/zinc/51/04/41/568510441.db2.gz PMKITWPSEALRFT-MRXNPFEDSA-N 1 2 419.528 3.175 50 0 HGAALO Cc1ccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)cc1 ZINC000033312873 568513768 /nfs/dbraw/zinc/51/37/68/568513768.db2.gz CTZLEEKIEJLISO-RUZDIDTESA-N 1 2 419.569 3.469 50 0 HGAALO Cc1ccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)cc1 ZINC000033312873 568513770 /nfs/dbraw/zinc/51/37/70/568513770.db2.gz CTZLEEKIEJLISO-RUZDIDTESA-N 1 2 419.569 3.469 50 0 HGAALO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCN(c2c(C)cccc2C)CC1 ZINC000019999710 568586101 /nfs/dbraw/zinc/58/61/01/568586101.db2.gz QWISVBXTGHVGAZ-NRFANRHFSA-N 1 2 412.530 3.077 50 0 HGAALO Cc1ccc(CN2CCSc3ccc(C(=O)NCC[NH+]4CCOCC4)cc32)cc1 ZINC000020355098 568599611 /nfs/dbraw/zinc/59/96/11/568599611.db2.gz GTLIABUMZHBBTN-UHFFFAOYSA-N 1 2 411.571 3.169 50 0 HGAALO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCC[NH+]4CCOCC4)cc3NC2=O)cc1 ZINC000020355248 568599663 /nfs/dbraw/zinc/59/96/63/568599663.db2.gz BZGRCJQNWNHJSW-KGENOOAVSA-N 1 2 423.538 3.142 50 0 HGAALO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 ZINC000095430238 568608674 /nfs/dbraw/zinc/60/86/74/568608674.db2.gz DKSGFADTKPJACG-IBGZPJMESA-N 1 2 420.509 3.297 50 0 HGAALO COCCOc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000095451942 568615161 /nfs/dbraw/zinc/61/51/61/568615161.db2.gz KBLYSQCYCYLNHD-LEWJYISDSA-N 1 2 418.921 3.167 50 0 HGAALO COCCOc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000095451942 568615164 /nfs/dbraw/zinc/61/51/64/568615164.db2.gz KBLYSQCYCYLNHD-LEWJYISDSA-N 1 2 418.921 3.167 50 0 HGAALO Cc1cc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC000225733726 568668936 /nfs/dbraw/zinc/66/89/36/568668936.db2.gz LVJHIFLGGMSLLX-BPQIPLTHSA-N 1 2 414.506 3.303 50 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3.187 50 0 HGAALO CCN1C[C@@H](C[N@H+](C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)Oc2ccccc21 ZINC000057531672 568852442 /nfs/dbraw/zinc/85/24/42/568852442.db2.gz TXQBJXJANPBBHP-CQSZACIVSA-N 1 2 410.543 3.193 50 0 HGAALO CCN1C[C@@H](C[N@@H+](C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)Oc2ccccc21 ZINC000057531672 568852444 /nfs/dbraw/zinc/85/24/44/568852444.db2.gz TXQBJXJANPBBHP-CQSZACIVSA-N 1 2 410.543 3.193 50 0 HGAALO Cc1ccc(C(=O)NCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1C ZINC000012559785 568857371 /nfs/dbraw/zinc/85/73/71/568857371.db2.gz XVDGFXPUFCYKLD-HXUWFJFHSA-N 1 2 410.905 3.326 50 0 HGAALO COc1ccccc1[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1[nH+]ccn1C ZINC000012560231 568857440 /nfs/dbraw/zinc/85/74/40/568857440.db2.gz FTKCVQSIFSOIKX-OAQYLSRUSA-N 1 2 411.527 3.375 50 0 HGAALO CCOC(=O)c1sc2nc(C)nc(Nc3ccc(N4CCOCC4)[nH+]c3)c2c1C ZINC000057709839 568858579 /nfs/dbraw/zinc/85/85/79/568858579.db2.gz YXYBYHKUNHFODL-UHFFFAOYSA-N 1 2 413.503 3.460 50 0 HGAALO CN(CCc1ccccc1)C(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 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COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1F ZINC000007978298 568963193 /nfs/dbraw/zinc/96/31/93/568963193.db2.gz ALGIRWCEHCXFSY-INIZCTEOSA-N 1 2 401.482 3.060 50 0 HGAALO Cc1[nH+]c2ccccc2n1CCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000008135190 568976822 /nfs/dbraw/zinc/97/68/22/568976822.db2.gz RWUFXLSNIWREFE-UHFFFAOYSA-N 1 2 408.546 3.184 50 0 HGAALO Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)on1 ZINC000015730269 568980900 /nfs/dbraw/zinc/98/09/00/568980900.db2.gz RKTBGINGYKWERO-UHFFFAOYSA-N 1 2 411.527 3.465 50 0 HGAALO CC(C)c1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)cc1 ZINC000035430698 569036770 /nfs/dbraw/zinc/03/67/70/569036770.db2.gz WCJOMZXSMNZULO-UHFFFAOYSA-N 1 2 404.514 3.160 50 0 biogenic HGAALO Cc1ccccc1C(=O)NCCn1ncc2c1nc[nH+]c2NCCc1ccccc1 ZINC000035590577 569045470 /nfs/dbraw/zinc/04/54/70/569045470.db2.gz CCKRDFUUIJEUHD-UHFFFAOYSA-N 1 2 400.486 3.219 50 0 HGAALO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)cc1Br ZINC000012982449 569047349 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OKWWNTRVFDIARH-HNNXBMFYSA-N 1 2 405.292 3.468 50 0 HGAALO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000009052770 571216390 /nfs/dbraw/zinc/21/63/90/571216390.db2.gz OKWWNTRVFDIARH-HNNXBMFYSA-N 1 2 405.292 3.468 50 0 HGAALO O=C(CCc1nnc(-c2ccccc2)o1)N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069970257 571251702 /nfs/dbraw/zinc/25/17/02/571251702.db2.gz YVUGOFIBYKHTIT-UHFFFAOYSA-N 1 2 416.485 3.284 50 0 HGAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Cn1c(-c2ccc(C)cc2)csc1=O ZINC000010125641 571295337 /nfs/dbraw/zinc/29/53/37/571295337.db2.gz YLAWGUPQDKGIPL-UHFFFAOYSA-N 1 2 406.511 3.360 50 0 HGAALO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)C[C@H](C)O1 ZINC000071827305 571302466 /nfs/dbraw/zinc/30/24/66/571302466.db2.gz LEHWUEGVPLZKRU-KDURUIRLSA-N 1 2 404.514 3.378 50 0 HGAALO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)C[C@H](C)O1 ZINC000071827305 571302467 /nfs/dbraw/zinc/30/24/67/571302467.db2.gz LEHWUEGVPLZKRU-KDURUIRLSA-N 1 2 404.514 3.378 50 0 HGAALO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1Cl ZINC000004718543 132285723 /nfs/dbraw/zinc/28/57/23/132285723.db2.gz UAQWQSZZQXZFOD-LJQANCHMSA-N 1 2 401.869 3.242 50 0 HGAALO Cc1cc(N2CCN(C(=O)c3ccc(OCC(F)(F)F)nc3)CC2)nc(C(C)C)[nH+]1 ZINC000010258263 132345648 /nfs/dbraw/zinc/34/56/48/132345648.db2.gz BTGGUFLEAFGMHM-UHFFFAOYSA-N 1 2 423.439 3.207 50 0 HGAALO CC(C)CCC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000012430041 132359786 /nfs/dbraw/zinc/35/97/86/132359786.db2.gz ORVBNNYOKVLFFF-HXUWFJFHSA-N 1 2 400.567 3.185 50 0 HGAALO Cc1n[nH]c(SCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000012588703 132364676 /nfs/dbraw/zinc/36/46/76/132364676.db2.gz GGTZCZAEWPFYOL-UHFFFAOYSA-N 1 2 422.558 3.166 50 0 HGAALO Cc1cc(N2CCN([C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000012746636 132366499 /nfs/dbraw/zinc/36/64/99/132366499.db2.gz QQXKWTJGMZDCJK-QZTJIDSGSA-N 1 2 413.541 3.435 50 0 HGAALO O=C(CCCc1ccc(Br)s1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000012769432 132366916 /nfs/dbraw/zinc/36/69/16/132366916.db2.gz AEJVUEQQOUZLKO-UHFFFAOYSA-N 1 2 424.364 3.381 50 0 HGAALO CC(C)[C@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000032803407 519819201 /nfs/dbraw/zinc/81/92/01/519819201.db2.gz ODDRCMQIXJYFRX-FQEVSTJZSA-N 1 2 407.474 3.235 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)NCC3(c4ccccc4)CC3)CC2)c1 ZINC000032889701 524826994 /nfs/dbraw/zinc/82/69/94/524826994.db2.gz WCFGOOIAEJCJPS-UHFFFAOYSA-N 1 2 409.530 3.263 50 0 HGAALO C[C@H]1NC(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)=NN(c2ccccc2)C1=O ZINC000032830091 525007780 /nfs/dbraw/zinc/00/77/80/525007780.db2.gz RFKLSVRVYSTBSQ-CYBMUJFWSA-N 1 2 404.474 3.137 50 0 HGAALO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)N3CCCC3)CC2)c(Br)c1 ZINC000032858103 525212457 /nfs/dbraw/zinc/21/24/57/525212457.db2.gz LILUHIHNFHIRKY-HNNXBMFYSA-N 1 2 422.367 3.419 50 0 HGAALO O=C(CCc1ccc2c(c1)OCO2)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000032845797 526598194 /nfs/dbraw/zinc/59/81/94/526598194.db2.gz NRWGHQVAQISZPC-UHFFFAOYSA-N 1 2 416.905 3.225 50 0 HGAALO O=C(c1nc(N2CCCCC2)ncc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000042767793 526916961 /nfs/dbraw/zinc/91/69/61/526916961.db2.gz KEIPBLQZERRBKJ-UHFFFAOYSA-N 1 2 405.955 3.140 50 0 HGAALO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000032935453 527121048 /nfs/dbraw/zinc/12/10/48/527121048.db2.gz YQSNHOHNOANYNJ-BETUJISGSA-N 1 2 413.301 3.207 50 0 HGAALO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000032935453 527121054 /nfs/dbraw/zinc/12/10/54/527121054.db2.gz YQSNHOHNOANYNJ-BETUJISGSA-N 1 2 413.301 3.207 50 0 HGAALO O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2)N1CCC[NH+]1CCOCC1 ZINC000020308634 527138609 /nfs/dbraw/zinc/13/86/09/527138609.db2.gz YJDISXNDDMNZAR-OAQYLSRUSA-N 1 2 422.456 3.200 50 0 HGAALO CCOC(=O)C1CC[NH+]([C@@H](c2cccc(C)c2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000022626247 557081272 /nfs/dbraw/zinc/08/12/72/557081272.db2.gz XONRSEMPUHXCAA-KRWDZBQOSA-N 1 2 414.531 3.478 50 0 HGAALO O=C(C1CCOCC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000071890551 557316669 /nfs/dbraw/zinc/31/66/69/557316669.db2.gz ULODFWFBGGOSAY-HXUWFJFHSA-N 1 2 416.566 3.357 50 0 HGAALO O=C(NCCCn1cc[nH+]c1)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002811541 557393965 /nfs/dbraw/zinc/39/39/65/557393965.db2.gz XCOWKOTZQYHOAI-UHFFFAOYSA-N 1 2 404.352 3.025 50 0 HGAALO O=C(Cc1ccc(F)cc1)N1CCc2[nH+]c(N3CCCCC3)nc(N3CCCC3)c2C1 ZINC000034756185 557458721 /nfs/dbraw/zinc/45/87/21/557458721.db2.gz GBAKACVZHVNWEK-UHFFFAOYSA-N 1 2 423.536 3.334 50 0 HGAALO COCC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000034855483 557476988 /nfs/dbraw/zinc/47/69/88/557476988.db2.gz BANSKMBGGHLQES-WNSKOXEYSA-N 1 2 416.493 3.093 50 0 HGAALO COCC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000034855483 557476990 /nfs/dbraw/zinc/47/69/90/557476990.db2.gz BANSKMBGGHLQES-WNSKOXEYSA-N 1 2 416.493 3.093 50 0 HGAALO CC(C)(C)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000022851330 557839342 /nfs/dbraw/zinc/83/93/42/557839342.db2.gz UEDDINYRWWKFGQ-FQEVSTJZSA-N 1 2 409.530 3.441 50 0 HGAALO CCOc1cccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)c1 ZINC000019792339 558282952 /nfs/dbraw/zinc/28/29/52/558282952.db2.gz MZQMDPKXBMPKNQ-UHFFFAOYSA-N 1 2 405.498 3.363 50 0 HGAALO CCS(=O)(=O)c1ncc(C[N@@H+]2CCC[C@@H](c3cccc(C)c3)C2)n1CCOC ZINC000019837980 558293409 /nfs/dbraw/zinc/29/34/09/558293409.db2.gz AWIVUEYOAYUGQW-LJQANCHMSA-N 1 2 405.564 3.011 50 0 HGAALO CCS(=O)(=O)c1ncc(C[N@H+]2CCC[C@@H](c3cccc(C)c3)C2)n1CCOC ZINC000019837980 558293411 /nfs/dbraw/zinc/29/34/11/558293411.db2.gz AWIVUEYOAYUGQW-LJQANCHMSA-N 1 2 405.564 3.011 50 0 HGAALO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000019880192 558300563 /nfs/dbraw/zinc/30/05/63/558300563.db2.gz MTMDCGZCTGAGSG-UHFFFAOYSA-N 1 2 414.449 3.221 50 0 HGAALO CCOc1cc(C[NH+]2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)ccc1OC ZINC000019889654 558302833 /nfs/dbraw/zinc/30/28/33/558302833.db2.gz NXWOVKANWDNHDO-UHFFFAOYSA-N 1 2 416.518 3.135 50 0 biogenic HGAALO CCOc1cc(CN2CC[NH+](Cc3cc(OC)c(O)c(OC)c3)CC2)ccc1OC ZINC000019889654 558302835 /nfs/dbraw/zinc/30/28/35/558302835.db2.gz NXWOVKANWDNHDO-UHFFFAOYSA-N 1 2 416.518 3.135 50 0 biogenic HGAALO C[NH+]1CCN(C2(CNC(=O)COc3ccc(C(C)(C)C)cc3)CCCCC2)CC1 ZINC000019902160 558305296 /nfs/dbraw/zinc/30/52/96/558305296.db2.gz OGTCJNIYDGPIOD-UHFFFAOYSA-N 1 2 401.595 3.429 50 0 HGAALO O=C(c1cn(Cc2ccccc2Cl)nn1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020202793 558346054 /nfs/dbraw/zinc/34/60/54/558346054.db2.gz LWCSFYYYZKLDRS-RMKNXTFCSA-N 1 2 421.932 3.451 50 0 HGAALO COc1ccccc1OC[C@@H](O)Cn1c2ccccc2n(Cc2ccccc2)c1=[NH2+] ZINC000020324849 558355585 /nfs/dbraw/zinc/35/55/85/558355585.db2.gz QSARQDDLCZSVDS-IBGZPJMESA-N 1 2 403.482 3.419 50 0 aggregator HGAALO O=C(c1nc2ccc(Cl)cn2c1C[N@H+]1CCC[C@H](O)C1)N1CCc2ccccc2C1 ZINC000012301397 558371242 /nfs/dbraw/zinc/37/12/42/558371242.db2.gz ZSZDVFBIUZUVJB-IBGZPJMESA-N 1 2 424.932 3.143 50 0 HGAALO O=C(c1nc2ccc(Cl)cn2c1C[N@@H+]1CCC[C@H](O)C1)N1CCc2ccccc2C1 ZINC000012301397 558371246 /nfs/dbraw/zinc/37/12/46/558371246.db2.gz ZSZDVFBIUZUVJB-IBGZPJMESA-N 1 2 424.932 3.143 50 0 HGAALO CSc1nc2c3c(sc2c2nnc(SCC[NH+]4CCOCC4)n21)CCCC3 ZINC000020648860 558397505 /nfs/dbraw/zinc/39/75/05/558397505.db2.gz LXIROUFFYKZJJX-UHFFFAOYSA-N 1 2 421.617 3.364 50 0 HGAALO O=C(c1nc2sccn2c1C[NH+]1CCN(c2ccccc2)CC1)N1CCCCC1 ZINC000020781344 558412853 /nfs/dbraw/zinc/41/28/53/558412853.db2.gz KWVIKXBXBBACOI-UHFFFAOYSA-N 1 2 409.559 3.344 50 0 HGAALO COc1ccc(C[N@@H+]2CCN(Cc3c(F)ccc(F)c3F)C[C@@H]2CCO)c(F)c1 ZINC000020998884 558427835 /nfs/dbraw/zinc/42/78/35/558427835.db2.gz XMRAPIHCIPJORX-HNNXBMFYSA-N 1 2 412.427 3.320 50 0 HGAALO COc1ccc(C[N@H+]2CCN(Cc3c(F)ccc(F)c3F)C[C@@H]2CCO)c(F)c1 ZINC000020998884 558427838 /nfs/dbraw/zinc/42/78/38/558427838.db2.gz XMRAPIHCIPJORX-HNNXBMFYSA-N 1 2 412.427 3.320 50 0 HGAALO O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000022242578 558471860 /nfs/dbraw/zinc/47/18/60/558471860.db2.gz HBEFQHWJTDPXAJ-XMMPIXPASA-N 1 2 403.526 3.306 50 0 HGAALO COC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000012805986 558473618 /nfs/dbraw/zinc/47/36/18/558473618.db2.gz IEXMACKVAJUIBT-HSZRJFAPSA-N 1 2 417.509 3.401 50 0 HGAALO COC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000012805986 558473619 /nfs/dbraw/zinc/47/36/19/558473619.db2.gz IEXMACKVAJUIBT-HSZRJFAPSA-N 1 2 417.509 3.401 50 0 HGAALO O=C(CN1CC[NH+](Cc2cccc(Cl)c2)CC1)Nc1cccc2nsnc21 ZINC000022752294 558507655 /nfs/dbraw/zinc/50/76/55/558507655.db2.gz RQSHGEOFKDPCRJ-UHFFFAOYSA-N 1 2 401.923 3.101 50 0 HGAALO Cc1cccc(NC(=O)CN2CC[NH+](CC(=O)N(C3=CCCCC3)C3CC3)CC2)c1C ZINC000022782480 558510363 /nfs/dbraw/zinc/51/03/63/558510363.db2.gz LXQXKQVYLHVGCO-UHFFFAOYSA-N 1 2 424.589 3.308 50 0 HGAALO CCN(CC)C(=O)COc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCN(C)CC1 ZINC000022853497 558517357 /nfs/dbraw/zinc/51/73/57/558517357.db2.gz MCDFJIKUEXZJGW-UHFFFAOYSA-N 1 2 413.537 3.487 50 0 HGAALO COc1ccc(C[NH+]2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)cc1F ZINC000022933947 558525802 /nfs/dbraw/zinc/52/58/02/558525802.db2.gz XMSPASQLATXNIR-UHFFFAOYSA-N 1 2 416.884 3.042 50 0 HGAALO O=c1oc2c(ccc3c2CN(CC[NH+]2CCOCC2)CO3)cc1-c1ccc(F)cc1 ZINC000022935754 558526357 /nfs/dbraw/zinc/52/63/57/558526357.db2.gz BLKPVIKLJOIYLH-UHFFFAOYSA-N 1 2 410.445 3.083 50 0 HGAALO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccco1 ZINC000023081047 558533856 /nfs/dbraw/zinc/53/38/56/558533856.db2.gz RFKJCYBGTFITTB-LJQANCHMSA-N 1 2 413.499 3.113 50 0 HGAALO COCCCn1c(C[N@H+](C)CCc2ccccc2)cnc1S(=O)(=O)C1CCCC1 ZINC000023129043 558536493 /nfs/dbraw/zinc/53/64/93/558536493.db2.gz XYDGQXJFMCHWAD-UHFFFAOYSA-N 1 2 419.591 3.310 50 0 HGAALO COCCCn1c(C[N@@H+](C)CCc2ccccc2)cnc1S(=O)(=O)C1CCCC1 ZINC000023129043 558536495 /nfs/dbraw/zinc/53/64/95/558536495.db2.gz XYDGQXJFMCHWAD-UHFFFAOYSA-N 1 2 419.591 3.310 50 0 HGAALO Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000023608787 558563607 /nfs/dbraw/zinc/56/36/07/558563607.db2.gz PAVMNOABVVSTLZ-UHFFFAOYSA-N 1 2 414.560 3.389 50 0 HGAALO Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000023608787 558563612 /nfs/dbraw/zinc/56/36/12/558563612.db2.gz PAVMNOABVVSTLZ-UHFFFAOYSA-N 1 2 414.560 3.389 50 0 HGAALO C[C@@H](OC[C@@H](O)C[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000013683046 558567654 /nfs/dbraw/zinc/56/76/54/558567654.db2.gz KTOLXAREESXCQJ-PBHICJAKSA-N 1 2 401.894 3.147 50 0 HGAALO C[C@@H](OC[C@@H](O)C[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000013683046 558567656 /nfs/dbraw/zinc/56/76/56/558567656.db2.gz KTOLXAREESXCQJ-PBHICJAKSA-N 1 2 401.894 3.147 50 0 HGAALO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000024178428 558591342 /nfs/dbraw/zinc/59/13/42/558591342.db2.gz PFMLADAPNUJGKO-UHFFFAOYSA-N 1 2 406.404 3.435 50 0 HGAALO COc1ccc(Cl)cc1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000024984081 558624529 /nfs/dbraw/zinc/62/45/29/558624529.db2.gz DBKOGODPVKETSZ-UHFFFAOYSA-N 1 2 400.953 3.353 50 0 HGAALO CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000025637774 558646433 /nfs/dbraw/zinc/64/64/33/558646433.db2.gz YJGPCVABFAZLMR-UHFFFAOYSA-N 1 2 418.541 3.413 50 0 HGAALO O=C(c1cnc2c(cnn2C2CCCC2)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000069946997 558646667 /nfs/dbraw/zinc/64/66/67/558646667.db2.gz PRGZUAWOUFMEDG-UHFFFAOYSA-N 1 2 419.529 3.383 50 0 HGAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000025665943 558646915 /nfs/dbraw/zinc/64/69/15/558646915.db2.gz WFBPRAGUPXBACX-NRFANRHFSA-N 1 2 417.513 3.492 50 0 HGAALO C[C@@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000014255289 558651441 /nfs/dbraw/zinc/65/14/41/558651441.db2.gz RFNVUXMPHHEGBJ-FQEVSTJZSA-N 1 2 414.303 3.232 50 0 HGAALO C[C@@]1(c2ccccc2Br)NC(=O)N(C[N@H+]2CCc3ccccc3C2)C1=O ZINC000014255289 558651443 /nfs/dbraw/zinc/65/14/43/558651443.db2.gz RFNVUXMPHHEGBJ-FQEVSTJZSA-N 1 2 414.303 3.232 50 0 HGAALO Cc1c(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cnn1-c1ccccc1 ZINC000027144029 558670049 /nfs/dbraw/zinc/67/00/49/558670049.db2.gz HWNCNKZJTBODHN-HSZRJFAPSA-N 1 2 404.514 3.292 50 0 HGAALO COc1cc(C)c(Br)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000027587941 558676701 /nfs/dbraw/zinc/67/67/01/558676701.db2.gz GEXBDHHMKSDRJG-UHFFFAOYSA-N 1 2 419.385 3.354 50 0 HGAALO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000014928316 558679548 /nfs/dbraw/zinc/67/95/48/558679548.db2.gz QMNOFFNMZRAZKY-NSHDSACASA-N 1 2 416.330 3.100 50 0 HGAALO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000014928316 558679551 /nfs/dbraw/zinc/67/95/51/558679551.db2.gz QMNOFFNMZRAZKY-NSHDSACASA-N 1 2 416.330 3.100 50 0 HGAALO COc1cccc([C@@H](NC(=O)c2cncc(Br)c2)c2[nH+]ccn2C)c1 ZINC000029092782 558709900 /nfs/dbraw/zinc/70/99/00/558709900.db2.gz ZVABBLAMRRXUTK-MRXNPFEDSA-N 1 2 401.264 3.106 50 0 HGAALO COC(=O)c1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)s1 ZINC000029928165 558724073 /nfs/dbraw/zinc/72/40/73/558724073.db2.gz NVPJOSJONZDQIB-UHFFFAOYSA-N 1 2 408.907 3.025 50 0 HGAALO CCc1cccc(N2C[C@H](C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2=O)c1 ZINC000030216727 558728141 /nfs/dbraw/zinc/72/81/41/558728141.db2.gz QGBBPUNNGVZFBT-OAQYLSRUSA-N 1 2 402.498 3.163 50 0 HGAALO COc1ccccc1NC(=O)COc1coc(C[N@@H+]2CCc3ccccc3C2)cc1=O ZINC000004583873 558774269 /nfs/dbraw/zinc/77/42/69/558774269.db2.gz CACWBJSJHNVSNJ-UHFFFAOYSA-N 1 2 420.465 3.224 50 0 HGAALO COc1ccccc1NC(=O)COc1coc(C[N@H+]2CCc3ccccc3C2)cc1=O ZINC000004583873 558774273 /nfs/dbraw/zinc/77/42/73/558774273.db2.gz CACWBJSJHNVSNJ-UHFFFAOYSA-N 1 2 420.465 3.224 50 0 HGAALO COc1cccc(N2CC[NH+]([C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)CC2)c1 ZINC000018249402 558834613 /nfs/dbraw/zinc/83/46/13/558834613.db2.gz YQJFVIQUEDCEIU-QHCPKHFHSA-N 1 2 415.493 3.303 50 0 HGAALO COCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1 ZINC000021158709 558845802 /nfs/dbraw/zinc/84/58/02/558845802.db2.gz IKGQLRDUEOMLJN-UHFFFAOYSA-N 1 2 410.493 3.203 50 0 HGAALO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000019143710 558846470 /nfs/dbraw/zinc/84/64/70/558846470.db2.gz DPLFBNPXWWNEFX-KRWDZBQOSA-N 1 2 421.423 3.435 50 0 HGAALO COc1ccc(C[NH+]2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1OC ZINC000019359359 558876155 /nfs/dbraw/zinc/87/61/55/558876155.db2.gz IBSJRVSHCMRAKF-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 biogenic HGAALO COc1ccc(CN2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1OC ZINC000019359359 558876158 /nfs/dbraw/zinc/87/61/58/558876158.db2.gz IBSJRVSHCMRAKF-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 biogenic HGAALO CS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)cc1 ZINC000011155967 558894175 /nfs/dbraw/zinc/89/41/75/558894175.db2.gz DTZNKCKVVOKLRH-UHFFFAOYSA-N 1 2 400.544 3.373 50 0 HGAALO CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000058159715 558904693 /nfs/dbraw/zinc/90/46/93/558904693.db2.gz GJRNWCSUQDJDFE-UHFFFAOYSA-N 1 2 419.428 3.168 50 0 HGAALO O=C(C[NH+]1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1)N1CCCC1 ZINC000058171287 558908162 /nfs/dbraw/zinc/90/81/62/558908162.db2.gz LRSYLYQWQBSDGV-UHFFFAOYSA-N 1 2 407.543 3.103 50 0 HGAALO Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)no1 ZINC000058174563 558909074 /nfs/dbraw/zinc/90/90/74/558909074.db2.gz RQHVJIDDXQUBIW-UHFFFAOYSA-N 1 2 408.458 3.176 50 0 HGAALO Cc1cc(C[N@H+]2CCCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)no1 ZINC000058174563 558909076 /nfs/dbraw/zinc/90/90/76/558909076.db2.gz RQHVJIDDXQUBIW-UHFFFAOYSA-N 1 2 408.458 3.176 50 0 HGAALO COc1ccc2c(CN3CC[NH+](Cc4ccc(OC)c(OC)c4)CC3)cc(=O)oc2c1 ZINC000019540674 558914201 /nfs/dbraw/zinc/91/42/01/558914201.db2.gz MCBVXWRACBFLQS-UHFFFAOYSA-N 1 2 424.497 3.137 50 0 HGAALO COc1ccc2c(C[NH+]3CCN(Cc4ccc(OC)c(OC)c4)CC3)cc(=O)oc2c1 ZINC000019540674 558914202 /nfs/dbraw/zinc/91/42/02/558914202.db2.gz MCBVXWRACBFLQS-UHFFFAOYSA-N 1 2 424.497 3.137 50 0 HGAALO COc1cc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc(OC)c1OC ZINC000019549542 558914456 /nfs/dbraw/zinc/91/44/56/558914456.db2.gz KUKJHTQIEJWRKG-UHFFFAOYSA-N 1 2 404.894 3.324 50 0 HGAALO Cc1sc2nc(C[NH+]3CCC(n4c5ccccc5[nH]c4=O)CC3)nc(N)c2c1C ZINC000058380386 558923174 /nfs/dbraw/zinc/92/31/74/558923174.db2.gz DDZNIJKSVMGUOL-UHFFFAOYSA-N 1 2 408.531 3.370 50 0 HGAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)Nc4cccc(F)c4C)CC3)ncn2)c1C ZINC000072115912 558926943 /nfs/dbraw/zinc/92/69/43/558926943.db2.gz OOBCHBCWJZMSOD-UHFFFAOYSA-N 1 2 409.469 3.081 50 0 HGAALO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1Cl ZINC000072117517 558927560 /nfs/dbraw/zinc/92/75/60/558927560.db2.gz XZLSJFKSPGFEOQ-UHFFFAOYSA-N 1 2 416.913 3.093 50 0 HGAALO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1Cl ZINC000072117517 558927564 /nfs/dbraw/zinc/92/75/64/558927564.db2.gz XZLSJFKSPGFEOQ-UHFFFAOYSA-N 1 2 416.913 3.093 50 0 HGAALO CC(=O)Nc1ccccc1NC(=O)C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000065405730 558977415 /nfs/dbraw/zinc/97/74/15/558977415.db2.gz BGMUFEOUPJMSNL-UHFFFAOYSA-N 1 2 401.894 3.221 50 0 HGAALO CCN1CC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)CC1=O ZINC000072432043 558979387 /nfs/dbraw/zinc/97/93/87/558979387.db2.gz KRLDCQRTBXDIGR-UHFFFAOYSA-N 1 2 407.445 3.434 50 0 HGAALO CCN1CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)CC1=O ZINC000072432043 558979390 /nfs/dbraw/zinc/97/93/90/558979390.db2.gz KRLDCQRTBXDIGR-UHFFFAOYSA-N 1 2 407.445 3.434 50 0 HGAALO CCc1ccccc1NC(=O)N1CCN(c2cc(-n3c[nH+]c(C)c3C)ncn2)CC1 ZINC000072441540 558981693 /nfs/dbraw/zinc/98/16/93/558981693.db2.gz SAFAAGZZTMAWQO-UHFFFAOYSA-N 1 2 405.506 3.196 50 0 HGAALO O=C(Nc1cccc(CN2CCOCC2)n1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000097032449 558988034 /nfs/dbraw/zinc/98/80/34/558988034.db2.gz FYBTVKRMBXBUQR-NRFANRHFSA-N 1 2 412.509 3.046 50 0 HGAALO O=C(Nc1cccc(CN2CCOCC2)n1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000097032449 558988036 /nfs/dbraw/zinc/98/80/36/558988036.db2.gz FYBTVKRMBXBUQR-NRFANRHFSA-N 1 2 412.509 3.046 50 0 HGAALO CNC(=O)C[N@@H+]1CCOc2c(cc(-c3cc(C)c4cccc(OC)c4n3)cc2OC)C1 ZINC000067846695 558993803 /nfs/dbraw/zinc/99/38/03/558993803.db2.gz IDXLGEBXAUPODQ-UHFFFAOYSA-N 1 2 421.497 3.168 50 0 HGAALO CNC(=O)C[N@H+]1CCOc2c(cc(-c3cc(C)c4cccc(OC)c4n3)cc2OC)C1 ZINC000067846695 558993804 /nfs/dbraw/zinc/99/38/04/558993804.db2.gz IDXLGEBXAUPODQ-UHFFFAOYSA-N 1 2 421.497 3.168 50 0 HGAALO Cn1cc[nH+]c1CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 ZINC000077303995 559001060 /nfs/dbraw/zinc/00/10/60/559001060.db2.gz GVISZZACXDEFGQ-UHFFFAOYSA-N 1 2 407.518 3.382 50 0 HGAALO O=C(NCCn1cc[nH+]c1)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 ZINC000077459491 559006026 /nfs/dbraw/zinc/00/60/26/559006026.db2.gz OWYMEAOTGHKPHH-UHFFFAOYSA-N 1 2 407.518 3.345 50 0 HGAALO COC(=O)C1CC[NH+]([C@H](c2ccc(C)cc2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000023156859 559022701 /nfs/dbraw/zinc/02/27/01/559022701.db2.gz UMFWORAVHKSVQX-MRXNPFEDSA-N 1 2 400.504 3.088 50 0 HGAALO O=C(NC(=S)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1c(F)cccc1F ZINC000033294553 559047390 /nfs/dbraw/zinc/04/73/90/559047390.db2.gz IQJBZWPBLGXOKZ-YVMONPNESA-N 1 2 401.482 3.311 50 0 HGAALO Cc1cccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)c1 ZINC000033312833 559054926 /nfs/dbraw/zinc/05/49/26/559054926.db2.gz XHPRDQCMWHQEOZ-RUZDIDTESA-N 1 2 419.569 3.469 50 0 HGAALO Cc1cccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)c1 ZINC000033312833 559054928 /nfs/dbraw/zinc/05/49/28/559054928.db2.gz XHPRDQCMWHQEOZ-RUZDIDTESA-N 1 2 419.569 3.469 50 0 HGAALO Cc1[nH+]c(C2CC2)nc(N2CCN(C(=O)[C@H]3CCOC3)CC2)c1Cc1ccccc1F ZINC000096316890 559109615 /nfs/dbraw/zinc/10/96/15/559109615.db2.gz PGSUPEJDNLBUOM-IBGZPJMESA-N 1 2 424.520 3.077 50 0 HGAALO O=C([C@H](c1ccccc1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1)N1CCOCC1 ZINC000084519426 559153334 /nfs/dbraw/zinc/15/33/34/559153334.db2.gz LHNWALIJCXBDDU-FQEVSTJZSA-N 1 2 419.978 3.119 50 0 HGAALO Cc1cccc(NC(=O)CN2CCN(c3[nH+]ccn3-c3ccccc3F)CC2)c1C ZINC000011695769 559188944 /nfs/dbraw/zinc/18/89/44/559188944.db2.gz KGGHAPZTJAKLFJ-UHFFFAOYSA-N 1 2 407.493 3.389 50 0 HGAALO O=C(COc1ccc(F)cc1)N1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695720 559188960 /nfs/dbraw/zinc/18/89/60/559188960.db2.gz SYGREVKUAHWUGD-UHFFFAOYSA-N 1 2 414.868 3.392 50 0 HGAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCc3[nH]c4ccc(C)cc4c3C1)CC2 ZINC000004888986 559197745 /nfs/dbraw/zinc/19/77/45/559197745.db2.gz ADSZXYRFVWCQMB-UHFFFAOYSA-N 1 2 419.525 3.437 50 0 biogenic HGAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCc3[nH]c4ccc(C)cc4c3C1)CC2 ZINC000004888986 559197746 /nfs/dbraw/zinc/19/77/46/559197746.db2.gz ADSZXYRFVWCQMB-UHFFFAOYSA-N 1 2 419.525 3.437 50 0 biogenic HGAALO O=c1[nH]c(=S)n(-c2ccc(F)cc2)c(O)c1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000100751535 559263284 /nfs/dbraw/zinc/26/32/84/559263284.db2.gz YIABZRVLXBZQQX-GOSISDBHSA-N 1 2 408.458 3.456 50 0 biogenic HGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4nccn4C)csc3C2)nc1 ZINC000426538091 559274628 /nfs/dbraw/zinc/27/46/28/559274628.db2.gz LTMRJCYZNVJBCX-UHFFFAOYSA-N 1 2 409.559 3.270 50 0 HGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4nccn4C)csc3C2)nc1 ZINC000426538091 559274630 /nfs/dbraw/zinc/27/46/30/559274630.db2.gz LTMRJCYZNVJBCX-UHFFFAOYSA-N 1 2 409.559 3.270 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000005271754 560561065 /nfs/dbraw/zinc/56/10/65/560561065.db2.gz MQFONYWUEWYXHW-WTGUMLROSA-N 1 2 408.885 3.484 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000005271754 560561067 /nfs/dbraw/zinc/56/10/67/560561067.db2.gz MQFONYWUEWYXHW-WTGUMLROSA-N 1 2 408.885 3.484 50 0 HGAALO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 ZINC000005274293 560561327 /nfs/dbraw/zinc/56/13/27/560561327.db2.gz WRGCHHRCWNKDQM-KRWDZBQOSA-N 1 2 415.497 3.125 50 0 HGAALO O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)nc2[nH]c(-c3ccc(Cl)cc3)nn21 ZINC000101747338 560800109 /nfs/dbraw/zinc/80/01/09/560800109.db2.gz FTFUDDXBMKSQTN-UHFFFAOYSA-N 1 2 420.904 3.060 50 0 HGAALO CC(C)c1ccc(-c2c(=O)c(=O)c2NCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101972202 560806200 /nfs/dbraw/zinc/80/62/00/560806200.db2.gz IXDJSQVMIKPXBO-UHFFFAOYSA-N 1 2 417.553 3.303 50 0 HGAALO COc1cc(C[N@@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104496956 560851824 /nfs/dbraw/zinc/85/18/24/560851824.db2.gz YAFLTSYZQRLUQS-GOSISDBHSA-N 1 2 420.937 3.132 50 0 HGAALO COc1cc(CN2CC[N@H+](Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104496956 560851826 /nfs/dbraw/zinc/85/18/26/560851826.db2.gz YAFLTSYZQRLUQS-GOSISDBHSA-N 1 2 420.937 3.132 50 0 HGAALO COc1cc(CN2CC[N@@H+](Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104496956 560851827 /nfs/dbraw/zinc/85/18/27/560851827.db2.gz YAFLTSYZQRLUQS-GOSISDBHSA-N 1 2 420.937 3.132 50 0 HGAALO COc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)OC(C)(C)C)c(OC)c1OC ZINC000107073127 560895254 /nfs/dbraw/zinc/89/52/54/560895254.db2.gz KNULHXRVYDYISX-CABCVRRESA-N 1 2 423.506 3.064 50 0 HGAALO COc1ccc(C(=O)OC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)OC(C)(C)C)c(OC)c1OC ZINC000107073127 560895256 /nfs/dbraw/zinc/89/52/56/560895256.db2.gz KNULHXRVYDYISX-CABCVRRESA-N 1 2 423.506 3.064 50 0 HGAALO CCOC(=O)c1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cc1 ZINC000048012737 568431960 /nfs/dbraw/zinc/43/19/60/568431960.db2.gz DFXVPUKHLQGEMF-HZPDHXFCSA-N 1 2 412.490 3.194 50 0 HGAALO COC(=O)N(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000048325833 568438798 /nfs/dbraw/zinc/43/87/98/568438798.db2.gz VGOBWHPKUOKBKU-QGZVFWFLSA-N 1 2 421.950 3.315 50 0 HGAALO COC(=O)N(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000048325833 568438799 /nfs/dbraw/zinc/43/87/99/568438799.db2.gz VGOBWHPKUOKBKU-QGZVFWFLSA-N 1 2 421.950 3.315 50 0 HGAALO O=C(Nc1ccccc1C[NH+]1CCOCC1)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000048314248 568439187 /nfs/dbraw/zinc/43/91/87/568439187.db2.gz CEYVFKHELZTPAH-JOCHJYFZSA-N 1 2 422.529 3.004 50 0 HGAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031321 568445886 /nfs/dbraw/zinc/44/58/86/568445886.db2.gz KVOAUGZROUUXGZ-KRWDZBQOSA-N 1 2 408.951 3.437 50 0 HGAALO Clc1ccc(C[NH+]2CCN(Cn3nnc(-c4ccccc4Cl)n3)CC2)s1 ZINC000022357515 568484890 /nfs/dbraw/zinc/48/48/90/568484890.db2.gz 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HGAALO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000002709684 536546997 /nfs/dbraw/zinc/54/69/97/536546997.db2.gz RJAPZZNJUABBLC-JOCHJYFZSA-N 1 2 412.530 3.077 50 0 HGAALO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012522934 536573697 /nfs/dbraw/zinc/57/36/97/536573697.db2.gz RAJCCRQYBCECMA-UHFFFAOYSA-N 1 2 403.910 3.256 50 0 HGAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012522934 536573701 /nfs/dbraw/zinc/57/37/01/536573701.db2.gz RAJCCRQYBCECMA-UHFFFAOYSA-N 1 2 403.910 3.256 50 0 HGAALO COC(=O)C1CC[NH+]([C@@H](c2cccc(C)c2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000022626313 557084268 /nfs/dbraw/zinc/08/42/68/557084268.db2.gz VKPOWOAGBOMZKK-INIZCTEOSA-N 1 2 400.504 3.088 50 0 HGAALO C[NH+]1CCN(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC000097316547 557129432 /nfs/dbraw/zinc/12/94/32/557129432.db2.gz FDWCLAWFUZWNPZ-UHFFFAOYSA-N 1 2 405.527 3.072 50 0 HGAALO CCOC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000001441196 557264241 /nfs/dbraw/zinc/26/42/41/557264241.db2.gz UFBNNZSXPAWWBZ-NRFANRHFSA-N 1 2 404.466 3.285 50 0 HGAALO CCOC(=O)c1ccc(N2C(=O)C[C@H]([N@@H+]3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000001441196 557264244 /nfs/dbraw/zinc/26/42/44/557264244.db2.gz UFBNNZSXPAWWBZ-NRFANRHFSA-N 1 2 404.466 3.285 50 0 HGAALO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4cc(C)ccc4C)CC3)C2=O)cc1 ZINC000002979732 557434912 /nfs/dbraw/zinc/43/49/12/557434912.db2.gz BCAIZONUONPPNV-QFIPXVFZSA-N 1 2 407.514 3.156 50 0 HGAALO Cc1ccccc1-n1nc(C(=O)NCCCn2cc[nH+]c2)nc1CCc1ccccc1 ZINC000034911883 557477577 /nfs/dbraw/zinc/47/75/77/557477577.db2.gz VQPZGUVKBKMXNC-UHFFFAOYSA-N 1 2 414.513 3.378 50 0 HGAALO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000022819404 557832642 /nfs/dbraw/zinc/83/26/42/557832642.db2.gz OIHFKWHKFUMQSQ-QGZVFWFLSA-N 1 2 401.938 3.171 50 0 HGAALO COc1ccc(CNC(=O)[C@@H](C)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000022819404 557832645 /nfs/dbraw/zinc/83/26/45/557832645.db2.gz OIHFKWHKFUMQSQ-QGZVFWFLSA-N 1 2 401.938 3.171 50 0 HGAALO CC(C)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022851503 557839284 /nfs/dbraw/zinc/83/92/84/557839284.db2.gz IPNFEQRKQLVKIS-FQEVSTJZSA-N 1 2 413.493 3.190 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1CCC(C(=O)OC)CC1)S2 ZINC000022853579 557840326 /nfs/dbraw/zinc/84/03/26/557840326.db2.gz LIXFGNXNBVCYMM-INIZCTEOSA-N 1 2 400.504 3.033 50 0 HGAALO COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907192 557852901 /nfs/dbraw/zinc/85/29/01/557852901.db2.gz DVIDNCMVJBLZCH-NRFANRHFSA-N 1 2 412.511 3.366 50 0 HGAALO COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907192 557852902 /nfs/dbraw/zinc/85/29/02/557852902.db2.gz DVIDNCMVJBLZCH-NRFANRHFSA-N 1 2 412.511 3.366 50 0 HGAALO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OCC ZINC000019720167 558258787 /nfs/dbraw/zinc/25/87/87/558258787.db2.gz DKLCGGAUKFGLJA-UHFFFAOYSA-N 1 2 412.486 3.171 50 0 HGAALO COC(=O)CSc1nc2sc3c(c2c(N)n1)CC[N@@H+](Cc1ccccc1)C3 ZINC000019799412 558285081 /nfs/dbraw/zinc/28/50/81/558285081.db2.gz UAEMZTAFKNLSCG-UHFFFAOYSA-N 1 2 400.529 3.097 50 0 HGAALO COC(=O)CSc1nc2sc3c(c2c(N)n1)CC[N@H+](Cc1ccccc1)C3 ZINC000019799412 558285084 /nfs/dbraw/zinc/28/50/84/558285084.db2.gz UAEMZTAFKNLSCG-UHFFFAOYSA-N 1 2 400.529 3.097 50 0 HGAALO COc1ccccc1-c1n[nH]c2c1CN(C(=O)CCc1cn3ccccc3[nH+]1)CC2 ZINC000020149114 558340062 /nfs/dbraw/zinc/34/00/62/558340062.db2.gz ZDORKDMORZTGPA-UHFFFAOYSA-N 1 2 401.470 3.251 50 0 HGAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)Nc4ccccc4C)CC3)c2c1 ZINC000020213185 558347854 /nfs/dbraw/zinc/34/78/54/558347854.db2.gz KIVMZNUAKUSOFJ-UHFFFAOYSA-N 1 2 419.525 3.420 50 0 HGAALO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(F)c2)N1CCC[NH+]1CCOCC1 ZINC000020219627 558348636 /nfs/dbraw/zinc/34/86/36/558348636.db2.gz FBEAABJSHYLLSB-OAQYLSRUSA-N 1 2 422.456 3.200 50 0 HGAALO COc1ccc(CCn2c(=S)[nH]c(=O)c3c2NC[N@@H+](C2CCCC2)C3)cc1OC ZINC000020259063 558352333 /nfs/dbraw/zinc/35/23/33/558352333.db2.gz OUDVVVFOFHIGAU-UHFFFAOYSA-N 1 2 416.547 3.293 50 0 HGAALO COc1ccc(CCn2c(=S)[nH]c(=O)c3c2NC[N@H+](C2CCCC2)C3)cc1OC ZINC000020259063 558352334 /nfs/dbraw/zinc/35/23/34/558352334.db2.gz OUDVVVFOFHIGAU-UHFFFAOYSA-N 1 2 416.547 3.293 50 0 HGAALO O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)N[C@@H](CCn1cc[nH+]c1)c1ccccc1 ZINC000012219026 558354770 /nfs/dbraw/zinc/35/47/70/558354770.db2.gz QKSPGQPVDFBTOI-XUZZJYLKSA-N 1 2 420.513 3.395 50 0 HGAALO Cc1c(C(=O)N(C)C2CCCCC2)sc2ncnc(NCC[NH+]3CCOCC3)c12 ZINC000020454016 558368111 /nfs/dbraw/zinc/36/81/11/558368111.db2.gz KCCDDVVIQGJTGG-UHFFFAOYSA-N 1 2 417.579 3.149 50 0 HGAALO O=C(c1nc2ccc(Cl)cn2c1C[N@H+]1CCC[C@H](O)C1)N1CCCCCCC1 ZINC000012300157 558370076 /nfs/dbraw/zinc/37/00/76/558370076.db2.gz YCMFAQKCQGTNTA-KRWDZBQOSA-N 1 2 404.942 3.351 50 0 HGAALO O=C(c1nc2ccc(Cl)cn2c1C[N@@H+]1CCC[C@H](O)C1)N1CCCCCCC1 ZINC000012300157 558370077 /nfs/dbraw/zinc/37/00/77/558370077.db2.gz YCMFAQKCQGTNTA-KRWDZBQOSA-N 1 2 404.942 3.351 50 0 HGAALO Cc1cc(C)n(-c2nc3sc4c(c3c(NCC[NH+]3CCOCC3)n2)CCCC4)n1 ZINC000020478717 558374807 /nfs/dbraw/zinc/37/48/07/558374807.db2.gz IGIUAVWCHVEWHH-UHFFFAOYSA-N 1 2 412.563 3.117 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1C(F)(F)F ZINC000020494837 558379861 /nfs/dbraw/zinc/37/98/61/558379861.db2.gz NUFCCOFFUPEKHI-UHFFFAOYSA-N 1 2 421.419 3.190 50 0 HGAALO c1ccc(C[N@@H+]2CCc3c(sc4c3c(N3CCCCC3)nc3nnnn34)C2)cc1 ZINC000020517535 558383054 /nfs/dbraw/zinc/38/30/54/558383054.db2.gz ZSSHTORRESMSKY-UHFFFAOYSA-N 1 2 405.531 3.283 50 0 HGAALO c1ccc(C[N@H+]2CCc3c(sc4c3c(N3CCCCC3)nc3nnnn34)C2)cc1 ZINC000020517535 558383056 /nfs/dbraw/zinc/38/30/56/558383056.db2.gz ZSSHTORRESMSKY-UHFFFAOYSA-N 1 2 405.531 3.283 50 0 HGAALO c1coc(CNc2nc3nnnn3c3sc4c(c32)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000020533495 558384542 /nfs/dbraw/zinc/38/45/42/558384542.db2.gz HGBMZVICPWVQNH-UHFFFAOYSA-N 1 2 417.498 3.497 50 0 HGAALO c1coc(CNc2nc3nnnn3c3sc4c(c32)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000020533495 558384544 /nfs/dbraw/zinc/38/45/44/558384544.db2.gz HGBMZVICPWVQNH-UHFFFAOYSA-N 1 2 417.498 3.497 50 0 HGAALO O=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NCCCn1cc[nH+]c1 ZINC000012432200 558406428 /nfs/dbraw/zinc/40/64/28/558406428.db2.gz BMZIIRUXFWSDOT-UHFFFAOYSA-N 1 2 407.396 3.015 50 0 HGAALO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)cc3F)[C@@H](CCO)C2)c(F)c1 ZINC000020775476 558411848 /nfs/dbraw/zinc/41/18/48/558411848.db2.gz PPFKXYKSKDBMLH-SFHVURJKSA-N 1 2 406.473 3.051 50 0 HGAALO COc1ccc(CN2CC[N@@H+](Cc3ccc(OC)cc3F)[C@@H](CCO)C2)c(F)c1 ZINC000020775476 558411850 /nfs/dbraw/zinc/41/18/50/558411850.db2.gz PPFKXYKSKDBMLH-SFHVURJKSA-N 1 2 406.473 3.051 50 0 HGAALO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)cc3F)C[C@@H]2CCO)c(F)c1 ZINC000020775476 558411852 /nfs/dbraw/zinc/41/18/52/558411852.db2.gz PPFKXYKSKDBMLH-SFHVURJKSA-N 1 2 406.473 3.051 50 0 HGAALO COc1ccc(CN2CC[N@@H+](Cc3ccc(OC)cc3F)C[C@@H]2CCO)c(F)c1 ZINC000020775476 558411855 /nfs/dbraw/zinc/41/18/55/558411855.db2.gz PPFKXYKSKDBMLH-SFHVURJKSA-N 1 2 406.473 3.051 50 0 HGAALO CCCCc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)[nH]1 ZINC000012447556 558414828 /nfs/dbraw/zinc/41/48/28/558414828.db2.gz ZLQQBEVLPWPDDU-GOSISDBHSA-N 1 2 414.550 3.168 50 0 HGAALO CCCCc1ncc(C[N@H+]2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)[nH]1 ZINC000012447556 558414831 /nfs/dbraw/zinc/41/48/31/558414831.db2.gz ZLQQBEVLPWPDDU-GOSISDBHSA-N 1 2 414.550 3.168 50 0 HGAALO COc1ccccc1-c1cc2nc(C)cc(N3CCN(c4cccc[nH+]4)CC3)n2n1 ZINC000021150500 558432718 /nfs/dbraw/zinc/43/27/18/558432718.db2.gz QBIPMWBJIMSFAO-UHFFFAOYSA-N 1 2 400.486 3.435 50 0 HGAALO Cc1ccc(C(=O)[C@H]([C@@H](c2cccs2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000021670210 558445481 /nfs/dbraw/zinc/44/54/81/558445481.db2.gz BNKNETILKVSMCR-RTWAWAEBSA-N 1 2 400.544 3.014 50 0 HGAALO COc1ccc(OCC[NH+]2CCN(CC(=O)c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000022357595 558483002 /nfs/dbraw/zinc/48/30/02/558483002.db2.gz VZAISGMTCJHBPE-UHFFFAOYSA-N 1 2 407.514 3.364 50 0 HGAALO COc1ccc(OCC[NH+]2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 ZINC000022931842 558524700 /nfs/dbraw/zinc/52/47/00/558524700.db2.gz CIRCHFLBKXLOEC-UHFFFAOYSA-N 1 2 400.504 3.003 50 0 HGAALO CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000022987652 558529249 /nfs/dbraw/zinc/52/92/49/558529249.db2.gz PHXNAPOPYQWLSN-AWEZNQCLSA-N 1 2 422.982 3.105 50 0 HGAALO Cc1cc(O)c2c(C)c(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000013623655 558550144 /nfs/dbraw/zinc/55/01/44/558550144.db2.gz BNBCKSJYIJSHQL-UHFFFAOYSA-N 1 2 406.482 3.002 50 0 HGAALO CCn1c(S[C@H](C)C(=O)N2CC[NH+](CC)CC2)nnc1-c1cccc(Cl)c1 ZINC000023508415 558560422 /nfs/dbraw/zinc/56/04/22/558560422.db2.gz KBRQPWJXKYSZCX-CQSZACIVSA-N 1 2 407.971 3.263 50 0 HGAALO O=C([C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735591 558572079 /nfs/dbraw/zinc/57/20/79/558572079.db2.gz LGEDUQSSZGYYFU-QGZVFWFLSA-N 1 2 417.962 3.094 50 0 HGAALO Cn1cc[nH+]c1[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000023779364 558575710 /nfs/dbraw/zinc/57/57/10/558575710.db2.gz DKGDKDNGBNJIIJ-JOCHJYFZSA-N 1 2 423.444 3.199 50 0 HGAALO Cc1nn(-c2ccccc2)c2sc(C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)cc12 ZINC000023907991 558580876 /nfs/dbraw/zinc/58/08/76/558580876.db2.gz XFRDRJIZUXJOCG-GOSISDBHSA-N 1 2 410.543 3.332 50 0 HGAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCN(c3ccccn3)CC2)o1 ZINC000023956420 558582619 /nfs/dbraw/zinc/58/26/19/558582619.db2.gz BJPUNYNCHYYIMO-UHFFFAOYSA-N 1 2 402.458 3.417 50 0 HGAALO O=C(c1ccc[nH]c1=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024132633 558590094 /nfs/dbraw/zinc/59/00/94/558590094.db2.gz VTVMHCZUBDSFBI-UHFFFAOYSA-N 1 2 409.436 3.201 50 0 HGAALO O=C(c1ccc(F)cc1Br)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024302507 558594502 /nfs/dbraw/zinc/59/45/02/558594502.db2.gz ZSDJELWPSXBIKB-UHFFFAOYSA-N 1 2 419.294 3.481 50 0 HGAALO C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)NCC[NH+]2CCOCC2)[C@@H]1C ZINC000024528128 558600386 /nfs/dbraw/zinc/60/03/86/558600386.db2.gz PRWBCGNKRFMUQI-QWFCFKBJSA-N 1 2 417.550 3.084 50 0 HGAALO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)COc4ccccc4)CC3)n2)cc1 ZINC000024823041 558613707 /nfs/dbraw/zinc/61/37/07/558613707.db2.gz JLVROVSKGIQJTO-UHFFFAOYSA-N 1 2 420.513 3.201 50 0 HGAALO Cc1cc(N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000014163216 558626407 /nfs/dbraw/zinc/62/64/07/558626407.db2.gz WHDXQSNKFXQPEM-UHFFFAOYSA-N 1 2 424.936 3.434 50 0 HGAALO O=C(CSCc1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014181735 558628541 /nfs/dbraw/zinc/62/85/41/558628541.db2.gz YWUYBEGSYZEVND-UHFFFAOYSA-N 1 2 402.491 3.132 50 0 HGAALO COc1ccc(Br)cc1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025248276 558635935 /nfs/dbraw/zinc/63/59/35/558635935.db2.gz KYVICGKHRYQRKO-UHFFFAOYSA-N 1 2 401.264 3.311 50 0 HGAALO CSc1ccc(N2C[C@H](C(=O)N3CC[NH+](Cc4cccs4)CC3)CC2=O)cc1 ZINC000025462858 558641726 /nfs/dbraw/zinc/64/17/26/558641726.db2.gz SQQWQRYGXZIZMN-MRXNPFEDSA-N 1 2 415.584 3.167 50 0 HGAALO CC(=O)N1CCc2cc(NC(=O)C[NH+]3CCC(C(=O)c4ccccc4)CC3)ccc21 ZINC000014320972 558652477 /nfs/dbraw/zinc/65/24/77/558652477.db2.gz GEZYCIQKYCJQJR-UHFFFAOYSA-N 1 2 405.498 3.129 50 0 HGAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000026346539 558659386 /nfs/dbraw/zinc/65/93/86/558659386.db2.gz KSMUYNUFPXGUNR-HSZRJFAPSA-N 1 2 410.514 3.007 50 0 HGAALO Cc1ccc(C(=O)N2CCN(c3cc(NCc4ccc(F)cc4)[nH+]cn3)CC2)cc1 ZINC000027583643 558676259 /nfs/dbraw/zinc/67/62/59/558676259.db2.gz HOYOWIIAPDMHIG-UHFFFAOYSA-N 1 2 405.477 3.499 50 0 HGAALO Cc1ccc(C(=O)N2CCN(c3cc(NCc4ccc(F)cc4)nc[nH+]3)CC2)cc1 ZINC000027583643 558676263 /nfs/dbraw/zinc/67/62/63/558676263.db2.gz HOYOWIIAPDMHIG-UHFFFAOYSA-N 1 2 405.477 3.499 50 0 HGAALO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)C1 ZINC000015259941 558729888 /nfs/dbraw/zinc/72/98/88/558729888.db2.gz BBHXHQLSGKTFDD-CYBMUJFWSA-N 1 2 411.405 3.122 50 0 HGAALO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)C1 ZINC000015259941 558729891 /nfs/dbraw/zinc/72/98/91/558729891.db2.gz BBHXHQLSGKTFDD-CYBMUJFWSA-N 1 2 411.405 3.122 50 0 HGAALO c1sc(-c2ccccc2)nc1C[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000015519942 558742143 /nfs/dbraw/zinc/74/21/43/558742143.db2.gz MLDFYDFFBSOLBK-UHFFFAOYSA-N 1 2 403.515 3.108 50 0 HGAALO Cc1cc(NC(=O)C[NH+]2CCC(NC(=O)c3ccccc3)CC2)n(-c2ccccc2)n1 ZINC000011100426 558763283 /nfs/dbraw/zinc/76/32/83/558763283.db2.gz CMFVMOAPMLXVEQ-UHFFFAOYSA-N 1 2 417.513 3.014 50 0 HGAALO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ncccc3C)C2)cc1 ZINC000072308206 558769198 /nfs/dbraw/zinc/76/91/98/558769198.db2.gz RMBLWEPAHMYJCR-LPHOPBHVSA-N 1 2 408.502 3.270 50 0 HGAALO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ncccc3C)C2)cc1 ZINC000072308206 558769199 /nfs/dbraw/zinc/76/91/99/558769199.db2.gz RMBLWEPAHMYJCR-LPHOPBHVSA-N 1 2 408.502 3.270 50 0 HGAALO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]1COC(=O)c1cc(C2CC2)nn1C(C)(C)C ZINC000072310835 558778053 /nfs/dbraw/zinc/77/80/53/558778053.db2.gz XYPJHVFJJOYACL-INIZCTEOSA-N 1 2 405.539 3.478 50 0 HGAALO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]1COC(=O)c1cc(C2CC2)nn1C(C)(C)C ZINC000072310835 558778056 /nfs/dbraw/zinc/77/80/56/558778056.db2.gz XYPJHVFJJOYACL-INIZCTEOSA-N 1 2 405.539 3.478 50 0 HGAALO COc1ccc([C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2[nH+]ccn2C)cc1 ZINC000016473550 558793042 /nfs/dbraw/zinc/79/30/42/558793042.db2.gz NUYBKCFGYRLXJZ-NRFANRHFSA-N 1 2 404.470 3.075 50 0 HGAALO O=C(Nc1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528633 558811954 /nfs/dbraw/zinc/81/19/54/558811954.db2.gz WMDZGXSRPIQHNH-UHFFFAOYSA-N 1 2 400.914 3.474 50 0 HGAALO O=C(Nc1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528633 558811956 /nfs/dbraw/zinc/81/19/56/558811956.db2.gz WMDZGXSRPIQHNH-UHFFFAOYSA-N 1 2 400.914 3.474 50 0 HGAALO O=C(c1c(F)cccc1Cl)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528461 558812086 /nfs/dbraw/zinc/81/20/86/558812086.db2.gz SLLAOPYLGXBTQR-UHFFFAOYSA-N 1 2 403.889 3.222 50 0 HGAALO O=C(c1c(F)cccc1Cl)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528461 558812088 /nfs/dbraw/zinc/81/20/88/558812088.db2.gz SLLAOPYLGXBTQR-UHFFFAOYSA-N 1 2 403.889 3.222 50 0 HGAALO S=C(NCc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000017082780 558815045 /nfs/dbraw/zinc/81/50/45/558815045.db2.gz BTOYBRIETSCOEE-UHFFFAOYSA-N 1 2 403.935 3.261 50 0 HGAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCc3ccc4c(c3)OCCO4)c2C1 ZINC000032999652 558826162 /nfs/dbraw/zinc/82/61/62/558826162.db2.gz PQWXTUKWPSCOOP-UHFFFAOYSA-N 1 2 417.509 3.357 50 0 HGAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCc3ccc4c(c3)OCCO4)c2C1 ZINC000032999652 558826165 /nfs/dbraw/zinc/82/61/65/558826165.db2.gz PQWXTUKWPSCOOP-UHFFFAOYSA-N 1 2 417.509 3.357 50 0 HGAALO Cc1cc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc(C)c1Br ZINC000018220288 558833968 /nfs/dbraw/zinc/83/39/68/558833968.db2.gz OYROHIFNXXGJOD-UHFFFAOYSA-N 1 2 404.308 3.189 50 0 HGAALO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCc2[nH]c[nH+]c2C1)OC(C)(C)CC3 ZINC000013570297 558844416 /nfs/dbraw/zinc/84/44/16/558844416.db2.gz RSUBVBCBSXKOEC-UHFFFAOYSA-N 1 2 407.470 3.056 50 0 biogenic HGAALO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCc2[nH+]c[nH]c2C1)OC(C)(C)CC3 ZINC000013570297 558844419 /nfs/dbraw/zinc/84/44/19/558844419.db2.gz RSUBVBCBSXKOEC-UHFFFAOYSA-N 1 2 407.470 3.056 50 0 biogenic HGAALO COc1ccc(-c2noc(C[NH+]3CCN(c4ccccc4OC)CC3)n2)cc1OC ZINC000053771371 558865341 /nfs/dbraw/zinc/86/53/41/558865341.db2.gz YSSHCIBCCQNVCU-UHFFFAOYSA-N 1 2 410.474 3.085 50 0 HGAALO Cc1ccc(C2(c3noc(CN4CCN(Cc5[nH+]ccn5C)CC4)n3)CCCC2)cc1 ZINC000019300296 558866167 /nfs/dbraw/zinc/86/61/67/558866167.db2.gz JJPIZBISBBTUKU-UHFFFAOYSA-N 1 2 420.561 3.289 50 0 HGAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000019313437 558866970 /nfs/dbraw/zinc/86/69/70/558866970.db2.gz APUPMQKPFQFEMY-QFIPXVFZSA-N 1 2 403.457 3.433 50 0 HGAALO Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)CNC[NH+]2CCCCCC2)[C@H]3CCC1 ZINC000019320419 558867371 /nfs/dbraw/zinc/86/73/71/558867371.db2.gz KTBVROFFDADDER-YKSBVNFPSA-N 1 2 410.606 3.427 50 0 HGAALO Cn1c2ccccc2n(CCC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1=O ZINC000011147774 558867999 /nfs/dbraw/zinc/86/79/99/558867999.db2.gz UPDTTYRHFIMPFK-UHFFFAOYSA-N 1 2 403.486 3.445 50 0 HGAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4cc(C=O)ccc4OC)CC3)c2c1 ZINC000033088031 558869863 /nfs/dbraw/zinc/86/98/63/558869863.db2.gz PAWKBFDJAWSXGN-UHFFFAOYSA-N 1 2 420.509 3.494 50 0 HGAALO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000055529289 558881836 /nfs/dbraw/zinc/88/18/36/558881836.db2.gz DCGMCPLEEATNEO-DYESRHJHSA-N 1 2 422.481 3.386 50 0 HGAALO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000055529289 558881837 /nfs/dbraw/zinc/88/18/37/558881837.db2.gz DCGMCPLEEATNEO-DYESRHJHSA-N 1 2 422.481 3.386 50 0 HGAALO CS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)c1 ZINC000011155730 558893996 /nfs/dbraw/zinc/89/39/96/558893996.db2.gz IBBPTLYIYDXFNH-UHFFFAOYSA-N 1 2 400.544 3.373 50 0 HGAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1ccc(N2CCOCC2)nc1 ZINC000058109258 558899342 /nfs/dbraw/zinc/89/93/42/558899342.db2.gz MQNWKAGOTIQPEP-UHFFFAOYSA-N 1 2 410.522 3.015 50 0 HGAALO CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CC[NH+](CC)CC1 ZINC000033173660 558901758 /nfs/dbraw/zinc/90/17/58/558901758.db2.gz CPONJUFHEFIMHD-UHFFFAOYSA-N 1 2 417.453 3.249 50 0 HGAALO Cc1c(-c2ccccc2)sc2ncnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)c12 ZINC000058160082 558904790 /nfs/dbraw/zinc/90/47/90/558904790.db2.gz AYYUTUBTFCJFPD-UHFFFAOYSA-N 1 2 421.570 3.411 50 0 HGAALO O=C(C[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1)N1CCCCCC1 ZINC000058161187 558905450 /nfs/dbraw/zinc/90/54/50/558905450.db2.gz MMBCXHFTNPEJLT-UHFFFAOYSA-N 1 2 421.467 3.173 50 0 HGAALO CCOC(=O)N[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)CC(C)C ZINC000058223144 558913184 /nfs/dbraw/zinc/91/31/84/558913184.db2.gz DVKNMBKMNWHXJO-OALUTQOASA-N 1 2 407.580 3.054 50 0 HGAALO CCOC(=O)N[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)CC(C)C ZINC000058223141 558913250 /nfs/dbraw/zinc/91/32/50/558913250.db2.gz DVKNMBKMNWHXJO-RBUKOAKNSA-N 1 2 407.580 3.054 50 0 HGAALO COc1ccc(C[NH+]2CCN(Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1OC ZINC000019540685 558914220 /nfs/dbraw/zinc/91/42/20/558914220.db2.gz YCSYNDGEGDNBIK-UHFFFAOYSA-N 1 2 424.497 3.142 50 0 HGAALO COc1ccc(CN2CC[NH+](Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1OC ZINC000019540685 558914221 /nfs/dbraw/zinc/91/42/21/558914221.db2.gz YCSYNDGEGDNBIK-UHFFFAOYSA-N 1 2 424.497 3.142 50 0 HGAALO O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000072434278 558979829 /nfs/dbraw/zinc/97/98/29/558979829.db2.gz AEKGEJDCQQCCGH-UHFFFAOYSA-N 1 2 412.877 3.152 50 0 HGAALO CCc1ccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)[nH+]3)CC2)cc1 ZINC000067604167 558988425 /nfs/dbraw/zinc/98/84/25/558988425.db2.gz ZIXJSKALEWSHEE-UHFFFAOYSA-N 1 2 404.518 3.112 50 0 HGAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)[nH+]1 ZINC000067620553 558989522 /nfs/dbraw/zinc/98/95/22/558989522.db2.gz FEBPGMNYJPCLRR-UHFFFAOYSA-N 1 2 411.897 3.287 50 0 HGAALO CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)N(C)C)CC2)c1 ZINC000096792288 558990816 /nfs/dbraw/zinc/99/08/16/558990816.db2.gz NPOYWISSPNINLU-QFIPXVFZSA-N 1 2 407.514 3.369 50 0 HGAALO Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000023076315 558999109 /nfs/dbraw/zinc/99/91/09/558999109.db2.gz UEPAWWKTSAJFCC-UHFFFAOYSA-N 1 2 422.485 3.032 50 0 HGAALO CC1CCN(C(=O)[C@@H]2c3ccccc3CC[N@H+]2CC(=O)NCc2ccccc2)CC1 ZINC000033312840 559054866 /nfs/dbraw/zinc/05/48/66/559054866.db2.gz VEKWZDJKNWHKPQ-DEOSSOPVSA-N 1 2 405.542 3.161 50 0 HGAALO CC1CCN(C(=O)[C@@H]2c3ccccc3CC[N@@H+]2CC(=O)NCc2ccccc2)CC1 ZINC000033312840 559054867 /nfs/dbraw/zinc/05/48/67/559054867.db2.gz VEKWZDJKNWHKPQ-DEOSSOPVSA-N 1 2 405.542 3.161 50 0 HGAALO C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023247943 559066029 /nfs/dbraw/zinc/06/60/29/559066029.db2.gz FVDMGCOPSXVNMV-DVECYGJZSA-N 1 2 419.569 3.321 50 0 HGAALO C[C@H](C(=O)N[C@H]1CCCc2ccccc21)[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023247943 559066030 /nfs/dbraw/zinc/06/60/30/559066030.db2.gz FVDMGCOPSXVNMV-DVECYGJZSA-N 1 2 419.569 3.321 50 0 HGAALO O=C(c1cnc(CSc2ccccc2)[nH]c1=O)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000091656406 559072752 /nfs/dbraw/zinc/07/27/52/559072752.db2.gz LWCLFDFANVKRAW-UHFFFAOYSA-N 1 2 409.515 3.223 50 0 HGAALO CCn1c[nH+]cc1CNC(=O)c1cnc(COc2ccc(C(C)(C)C)cc2)[nH]c1=O ZINC000092028658 559075188 /nfs/dbraw/zinc/07/51/88/559075188.db2.gz RXOLPBOJNTYUQC-UHFFFAOYSA-N 1 2 409.490 3.205 50 0 HGAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 ZINC000095504226 559082862 /nfs/dbraw/zinc/08/28/62/559082862.db2.gz DQPHXUCYRGFXMM-OAHLLOKOSA-N 1 2 401.894 3.365 50 0 HGAALO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000095507283 559083307 /nfs/dbraw/zinc/08/33/07/559083307.db2.gz DYALEYXOSUNWJH-GOSISDBHSA-N 1 2 402.498 3.288 50 0 HGAALO CC[C@H](C)c1nc(N2CCN(S(C)(=O)=O)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000096317100 559109743 /nfs/dbraw/zinc/10/97/43/559109743.db2.gz WTAYNSOTROLPJM-HNNXBMFYSA-N 1 2 420.554 3.110 50 0 HGAALO O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023956547 559186453 /nfs/dbraw/zinc/18/64/53/559186453.db2.gz VIWHDZRARFXEQC-UHFFFAOYSA-N 1 2 406.526 3.287 50 0 HGAALO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]3CCC[N@@H+]32)cc1 ZINC000248140551 559265246 /nfs/dbraw/zinc/26/52/46/559265246.db2.gz PPKBCXDRJPIAHD-HAGHYFMRSA-N 1 2 424.884 3.184 50 0 HGAALO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]3CCC[N@H+]32)cc1 ZINC000248140551 559265247 /nfs/dbraw/zinc/26/52/47/559265247.db2.gz PPKBCXDRJPIAHD-HAGHYFMRSA-N 1 2 424.884 3.184 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000248160721 559265917 /nfs/dbraw/zinc/26/59/17/559265917.db2.gz OFZSRVMXIITFEV-MBDNFAEBSA-N 1 2 402.494 3.447 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000248160721 559265918 /nfs/dbraw/zinc/26/59/18/559265918.db2.gz OFZSRVMXIITFEV-MBDNFAEBSA-N 1 2 402.494 3.447 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000005307843 560563658 /nfs/dbraw/zinc/56/36/58/560563658.db2.gz TVDYMEYMPBZKCE-OKYOBFRVSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000005307843 560563659 /nfs/dbraw/zinc/56/36/59/560563659.db2.gz TVDYMEYMPBZKCE-OKYOBFRVSA-N 1 2 412.848 3.314 50 0 HGAALO Cc1ccc(CCC(=O)N2CCN(c3ccc(C4=[NH+]NC(=O)C[C@@H]4C)cc3)CC2)cc1 ZINC000005330728 560566608 /nfs/dbraw/zinc/56/66/08/560566608.db2.gz AWGMQIHZCIBMDC-IBGZPJMESA-N 1 2 418.541 3.137 50 0 HGAALO CC(C)c1ccc(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000017196757 560704217 /nfs/dbraw/zinc/70/42/17/560704217.db2.gz KYNGBOGEFWBECF-OAQYLSRUSA-N 1 2 416.481 3.071 50 0 biogenic HGAALO COc1ccc(CCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Br ZINC000206826867 560747152 /nfs/dbraw/zinc/74/71/52/560747152.db2.gz SKJKZCMNSZNEFW-HNNXBMFYSA-N 1 2 404.308 3.180 50 0 HGAALO CC(C)c1[nH+]c2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)ccc2n1C ZINC000101413656 560794434 /nfs/dbraw/zinc/79/44/34/560794434.db2.gz SXPOBZWNTZPLQI-KRWDZBQOSA-N 1 2 405.458 3.426 50 0 HGAALO COc1ccc(Cl)cc1NC(=O)c1nc(-n2cc[nH+]c2)ncc1Br ZINC000046086835 568428212 /nfs/dbraw/zinc/42/82/12/568428212.db2.gz HWPGQAIMYHMMPX-UHFFFAOYSA-N 1 2 408.643 3.339 50 0 HGAALO CN(C)C(=O)Cc1ccc(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000048311118 568436966 /nfs/dbraw/zinc/43/69/66/568436966.db2.gz LBIUNHYNSRTCFT-UHFFFAOYSA-N 1 2 409.534 3.414 50 0 HGAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000048355102 568441444 /nfs/dbraw/zinc/44/14/44/568441444.db2.gz ASXVEHWJAYDBCT-KRWDZBQOSA-N 1 2 415.559 3.036 50 0 HGAALO CC(=O)NCCCc1ccc(-c2csc(NC(=O)CCCn3cc[nH+]c3)n2)cc1 ZINC000048366445 568441938 /nfs/dbraw/zinc/44/19/38/568441938.db2.gz RCVHCJOIUKPBNX-UHFFFAOYSA-N 1 2 411.531 3.494 50 0 HGAALO COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[N@H+](C)CCOc2ccc(C)cc2)C1=O ZINC000049612957 568452683 /nfs/dbraw/zinc/45/26/83/568452683.db2.gz OVVBFTOCFNINIY-DEOSSOPVSA-N 1 2 423.513 3.055 50 0 HGAALO COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[N@@H+](C)CCOc2ccc(C)cc2)C1=O ZINC000049612957 568452684 /nfs/dbraw/zinc/45/26/84/568452684.db2.gz OVVBFTOCFNINIY-DEOSSOPVSA-N 1 2 423.513 3.055 50 0 HGAALO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000014922361 568455506 /nfs/dbraw/zinc/45/55/06/568455506.db2.gz JZTNARWIBQFLRL-ZDUSSCGKSA-N 1 2 424.364 3.394 50 0 HGAALO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000014922361 568455507 /nfs/dbraw/zinc/45/55/07/568455507.db2.gz JZTNARWIBQFLRL-ZDUSSCGKSA-N 1 2 424.364 3.394 50 0 HGAALO Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccs1)N(CCC[NH+]1CCOCC1)C3=O ZINC000020308244 568598321 /nfs/dbraw/zinc/59/83/21/568598321.db2.gz XGOVHHYCQCDRQE-HXUWFJFHSA-N 1 2 424.522 3.430 50 0 HGAALO CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 ZINC000095430239 568608683 /nfs/dbraw/zinc/60/86/83/568608683.db2.gz DKSGFADTKPJACG-LJQANCHMSA-N 1 2 420.509 3.297 50 0 HGAALO Cc1[nH+]c2n(c1CN1CCN(C(=O)c3ccccc3OCC3CC3)CC1)CCCC2 ZINC000095456606 568618106 /nfs/dbraw/zinc/61/81/06/568618106.db2.gz IWPVJCYQLBAYPQ-UHFFFAOYSA-N 1 2 408.546 3.275 50 0 HGAALO Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(CC[NH+]1CCOCC1)CO3 ZINC000095481034 568633655 /nfs/dbraw/zinc/63/36/55/568633655.db2.gz AZPQTEQRQQZKJM-UHFFFAOYSA-N 1 2 420.509 3.176 50 0 HGAALO O=C(NC1CCCCCCC1)[C@H]1c2ccccc2C(=O)N1CCC[NH+]1CCOCC1 ZINC000020685063 568640370 /nfs/dbraw/zinc/64/03/70/568640370.db2.gz PFJDBYHLCVOZBC-JOCHJYFZSA-N 1 2 413.562 3.135 50 0 HGAALO CCN1CC[NH+]([C@@H](c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098066 568665955 /nfs/dbraw/zinc/66/59/55/568665955.db2.gz RYLLGGAZTIEQES-QHCPKHFHSA-N 1 2 407.514 3.231 50 0 aggregator HGAALO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000095995448 568678415 /nfs/dbraw/zinc/67/84/15/568678415.db2.gz BGEWOMDKKDSXRI-STQMWFEESA-N 1 2 406.914 3.312 50 0 HGAALO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000095995448 568678419 /nfs/dbraw/zinc/67/84/19/568678419.db2.gz BGEWOMDKKDSXRI-STQMWFEESA-N 1 2 406.914 3.312 50 0 HGAALO Cc1nc(N2CCC(NC(=O)Cn3ccc4ccccc43)CC2)c2c([nH+]1)CCCC2 ZINC000225738363 568780371 /nfs/dbraw/zinc/78/03/71/568780371.db2.gz PYFTWIPHBRROLS-UHFFFAOYSA-N 1 2 403.530 3.404 50 0 HGAALO CCOc1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)cc1OCC ZINC000056997440 568822614 /nfs/dbraw/zinc/82/26/14/568822614.db2.gz MAJVJOLNUPGXPD-UHFFFAOYSA-N 1 2 415.509 3.175 50 0 HGAALO O=S(=O)(NCC[NH+]1CCN(c2ccccc2F)CC1)c1cccc2ccccc21 ZINC000056997692 568822661 /nfs/dbraw/zinc/82/26/61/568822661.db2.gz MUMJZWXXMWONCY-UHFFFAOYSA-N 1 2 413.518 3.079 50 0 HGAALO Cc1ccccc1N1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000057270850 568825454 /nfs/dbraw/zinc/82/54/54/568825454.db2.gz NIYFMUMVEXMKPG-JOCHJYFZSA-N 1 2 421.541 3.252 50 0 HGAALO Cc1cc(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)ccc1Br ZINC000057292088 568826129 /nfs/dbraw/zinc/82/61/29/568826129.db2.gz CMWFPYQOHHUZBZ-UHFFFAOYSA-N 1 2 404.308 3.224 50 0 HGAALO COc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000057315457 568826853 /nfs/dbraw/zinc/82/68/53/568826853.db2.gz GKZTVLVXPVNXBJ-UHFFFAOYSA-N 1 2 404.308 3.218 50 0 HGAALO CCOc1ccc([C@H]2NC(=O)NC(C[N@H+](CC)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415325 568833655 /nfs/dbraw/zinc/83/36/55/568833655.db2.gz FXXYCVHHYBWJRP-JOCHJYFZSA-N 1 2 423.513 3.388 50 0 HGAALO CCOc1ccc([C@H]2NC(=O)NC(C[N@@H+](CC)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415325 568833656 /nfs/dbraw/zinc/83/36/56/568833656.db2.gz FXXYCVHHYBWJRP-JOCHJYFZSA-N 1 2 423.513 3.388 50 0 HGAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000057432016 568836450 /nfs/dbraw/zinc/83/64/50/568836450.db2.gz OAVFWBLMOHEPMC-DLBZAZTESA-N 1 2 412.433 3.162 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 ZINC000012550193 568852082 /nfs/dbraw/zinc/85/20/82/568852082.db2.gz RRZMAIMCOXYLSW-SFHVURJKSA-N 1 2 400.276 3.467 50 0 HGAALO COc1ccc([C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)[NH+]2CCCCC2)cc1 ZINC000003402569 568896830 /nfs/dbraw/zinc/89/68/30/568896830.db2.gz PKUGVCOXMRCFBF-NRFANRHFSA-N 1 2 416.543 3.056 50 0 HGAALO Cc1oc(-c2cccs2)nc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000084052881 568933684 /nfs/dbraw/zinc/93/36/84/568933684.db2.gz IXKFTJXLSYBEFJ-MSOLQXFVSA-N 1 2 409.511 3.437 50 0 HGAALO Cc1oc(-c2cccs2)nc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000084052881 568933685 /nfs/dbraw/zinc/93/36/85/568933685.db2.gz IXKFTJXLSYBEFJ-MSOLQXFVSA-N 1 2 409.511 3.437 50 0 HGAALO Cc1oc2nc(C[NH+]3CCC(NC(=O)NC4CCCCC4)CC3)nc(N)c2c1C ZINC000084061845 568934753 /nfs/dbraw/zinc/93/47/53/568934753.db2.gz XKSIXKJZDFJDBU-UHFFFAOYSA-N 1 2 400.527 3.018 50 0 HGAALO CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CC[N@H+](C)C2 ZINC000004086893 568940501 /nfs/dbraw/zinc/94/05/01/568940501.db2.gz JRUHQBHVCYLFTC-UHFFFAOYSA-N 1 2 404.488 3.182 50 0 HGAALO CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CC[N@@H+](C)C2 ZINC000004086893 568940504 /nfs/dbraw/zinc/94/05/04/568940504.db2.gz JRUHQBHVCYLFTC-UHFFFAOYSA-N 1 2 404.488 3.182 50 0 HGAALO COc1ccc(NC(=O)NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000012786442 568960224 /nfs/dbraw/zinc/96/02/24/568960224.db2.gz JZTSODDVHGUAGB-KRWDZBQOSA-N 1 2 403.504 3.086 50 0 HGAALO COc1ccc(NC(=O)NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000012786442 568960226 /nfs/dbraw/zinc/96/02/26/568960226.db2.gz JZTSODDVHGUAGB-KRWDZBQOSA-N 1 2 403.504 3.086 50 0 HGAALO COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000015727909 568979046 /nfs/dbraw/zinc/97/90/46/568979046.db2.gz ZWVDUEANWDLBQI-UHFFFAOYSA-N 1 2 407.470 3.010 50 0 HGAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)c1C ZINC000008225982 568983312 /nfs/dbraw/zinc/98/33/12/568983312.db2.gz BZEDARAIUACXIS-HNNXBMFYSA-N 1 2 400.475 3.283 50 0 HGAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1C ZINC000008225982 568983314 /nfs/dbraw/zinc/98/33/14/568983314.db2.gz BZEDARAIUACXIS-HNNXBMFYSA-N 1 2 400.475 3.283 50 0 HGAALO CC1CC[NH+](CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000008470844 569004311 /nfs/dbraw/zinc/00/43/11/569004311.db2.gz QXGFVZXDDXQAPS-UHFFFAOYSA-N 1 2 413.971 3.185 50 0 HGAALO COc1cccc(CN2CC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)c1 ZINC000104520216 569008883 /nfs/dbraw/zinc/00/88/83/569008883.db2.gz UXORMGYYTWOYNL-JOCHJYFZSA-N 1 2 424.520 3.293 50 0 HGAALO COc1cccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)c1 ZINC000104520216 569008884 /nfs/dbraw/zinc/00/88/84/569008884.db2.gz UXORMGYYTWOYNL-JOCHJYFZSA-N 1 2 424.520 3.293 50 0 HGAALO Cc1ncc(C[NH+]2CCOCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000085876958 569009653 /nfs/dbraw/zinc/00/96/53/569009653.db2.gz DFCXFPBLRFALDW-UHFFFAOYSA-N 1 2 420.421 3.471 50 0 biogenic HGAALO O=C(COc1ccc(Br)cc1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000012874994 569013530 /nfs/dbraw/zinc/01/35/30/569013530.db2.gz XXWWHBYZXXZNIH-IBGZPJMESA-N 1 2 419.319 3.018 50 0 HGAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2[nH]c1=S 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412.484 3.424 50 0 HGAALO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000020468165 558374102 /nfs/dbraw/zinc/37/41/02/558374102.db2.gz MJKQWSCSZBTEAC-UHFFFAOYSA-N 1 2 402.560 3.499 50 0 HGAALO COc1cccc(OCc2cc(C(=O)N(C)Cc3c(C)[nH+]c4ccccn43)n[nH]2)c1 ZINC000012306153 558374994 /nfs/dbraw/zinc/37/49/94/558374994.db2.gz GBGAJFSGSIFVFP-UHFFFAOYSA-N 1 2 405.458 3.226 50 0 HGAALO COc1ccc2c(C)c(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c(=O)oc2c1 ZINC000020624194 558394591 /nfs/dbraw/zinc/39/45/91/558394591.db2.gz JRGSYWVPRHKBFU-UHFFFAOYSA-N 1 2 422.481 3.123 50 0 HGAALO O=C(c1csc2nc(-c3ccccc3)cn12)N1CC[NH+](Cc2cccnc2)CC1 ZINC000020907011 558421364 /nfs/dbraw/zinc/42/13/64/558421364.db2.gz RIVIXDXKBJWORQ-UHFFFAOYSA-N 1 2 403.511 3.416 50 0 HGAALO C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022039663 558459524 /nfs/dbraw/zinc/45/95/24/558459524.db2.gz KOYUNFXSWDKDDZ-AVRDEDQJSA-N 1 2 421.541 3.115 50 0 HGAALO 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COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@]31c2cc(Br)ccc2N(C)C1=O ZINC000020064240 569064247 /nfs/dbraw/zinc/06/42/47/569064247.db2.gz GRZGOGSYCCMWLE-FQEVSTJZSA-N 1 2 412.287 3.305 50 0 biogenic HGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4nonc4C)csc3C2)nc1 ZINC000426387000 569072603 /nfs/dbraw/zinc/07/26/03/569072603.db2.gz YEMIVCUTXFZNTD-UHFFFAOYSA-N 1 2 411.531 3.227 50 0 HGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4nonc4C)csc3C2)nc1 ZINC000426387000 569072604 /nfs/dbraw/zinc/07/26/04/569072604.db2.gz YEMIVCUTXFZNTD-UHFFFAOYSA-N 1 2 411.531 3.227 50 0 HGAALO CC(C)[C@H]1[NH2+]C2(CCN(C(=O)c3ccccc3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036014144 569076352 /nfs/dbraw/zinc/07/63/52/569076352.db2.gz WBIKMMWBLWXUST-OAQYLSRUSA-N 1 2 409.505 3.415 50 0 HGAALO CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCn3cc[nH+]c3)c(Cl)cc12 ZINC000006658766 569083497 /nfs/dbraw/zinc/08/34/97/569083497.db2.gz DUJGYOQWDMWGCL-CYBMUJFWSA-N 1 2 403.866 3.179 50 0 HGAALO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)NCc3ccccn3)C3CCCC3)CC2)cc1 ZINC000036253407 569119468 /nfs/dbraw/zinc/11/94/68/569119468.db2.gz VBHBBFGCNOPFAF-HSZRJFAPSA-N 1 2 420.557 3.023 50 0 HGAALO O=C(NCC1CC1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036254495 569120103 /nfs/dbraw/zinc/12/01/03/569120103.db2.gz RTDQPBPEOLMPOT-FQEVSTJZSA-N 1 2 403.954 3.183 50 0 HGAALO COc1ccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)C(C)C)CC2)cc1OC ZINC000036311834 569132648 /nfs/dbraw/zinc/13/26/48/569132648.db2.gz ZAWYFFJRQMTFNP-NRFANRHFSA-N 1 2 417.550 3.001 50 0 HGAALO COc1cc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)C(C)C)CC2)cc(OC)c1 ZINC000036311662 569133267 /nfs/dbraw/zinc/13/32/67/569133267.db2.gz YDIXPBRKARIDMI-NRFANRHFSA-N 1 2 417.550 3.001 50 0 HGAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)NCc1ccccc1Cl)CC3 ZINC000065034935 569158439 /nfs/dbraw/zinc/15/84/39/569158439.db2.gz LILGUKXYNROGKU-UHFFFAOYSA-N 1 2 409.917 3.473 50 0 HGAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)NCc1ccccc1Cl)CC3 ZINC000065034935 569158440 /nfs/dbraw/zinc/15/84/40/569158440.db2.gz LILGUKXYNROGKU-UHFFFAOYSA-N 1 2 409.917 3.473 50 0 HGAALO COc1ccc(-c2noc(C[N@@H+]3CCCN(C(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000065172405 569189738 /nfs/dbraw/zinc/18/97/38/569189738.db2.gz RBQNONAYELOLSB-UHFFFAOYSA-N 1 2 406.486 3.402 50 0 HGAALO COc1ccc(-c2noc(C[N@H+]3CCCN(C(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000065172405 569189740 /nfs/dbraw/zinc/18/97/40/569189740.db2.gz RBQNONAYELOLSB-UHFFFAOYSA-N 1 2 406.486 3.402 50 0 HGAALO COCC[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)Cc1cccc(C)c1)C2 ZINC000065259900 569210855 /nfs/dbraw/zinc/21/08/55/569210855.db2.gz KTXIVHWDDXBUFE-XMMPIXPASA-N 1 2 406.530 3.290 50 0 HGAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1cnn3cccnc13)C2 ZINC000065260100 569210997 /nfs/dbraw/zinc/21/09/97/569210997.db2.gz GQMNOPMTKKEIEA-HSZRJFAPSA-N 1 2 417.517 3.248 50 0 HGAALO COc1ccccc1CC(=O)N1CC[C@]2(C1)[NH2+]Cc1ccccc1NC2=NC(C)(C)C ZINC000065265933 569213083 /nfs/dbraw/zinc/21/30/83/569213083.db2.gz PZVCMKPNEYMXNG-RUZDIDTESA-N 1 2 420.557 3.430 50 0 HGAALO CCNc1cc(N2CCC(CCC(=O)NCc3nc4ccccc4n3C)CC2)nc[nH+]1 ZINC000065274065 569214846 /nfs/dbraw/zinc/21/48/46/569214846.db2.gz HWRVQLONHLKNQW-UHFFFAOYSA-N 1 2 421.549 3.108 50 0 HGAALO CCNc1cc(N2CCC(CCC(=O)NCc3nc4ccccc4n3C)CC2)[nH+]cn1 ZINC000065274065 569214847 /nfs/dbraw/zinc/21/48/47/569214847.db2.gz HWRVQLONHLKNQW-UHFFFAOYSA-N 1 2 421.549 3.108 50 0 HGAALO Cc1ccsc1C(=O)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293287 569218414 /nfs/dbraw/zinc/21/84/14/569218414.db2.gz MVBNATCMIACJNO-LJQANCHMSA-N 1 2 415.534 3.145 50 0 HGAALO Cc1ccsc1C(=O)N1CCC[N@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293287 569218416 /nfs/dbraw/zinc/21/84/16/569218416.db2.gz MVBNATCMIACJNO-LJQANCHMSA-N 1 2 415.534 3.145 50 0 HGAALO CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000007094482 569219552 /nfs/dbraw/zinc/21/95/52/569219552.db2.gz WHUHFDXVPDGFQP-UHFFFAOYSA-N 1 2 404.521 3.010 50 0 HGAALO COc1ccc(Cl)cc1S(=O)(=O)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700331 569222860 /nfs/dbraw/zinc/22/28/60/569222860.db2.gz KCPQEHMMCRCHMB-LJQANCHMSA-N 1 2 424.950 3.091 50 0 HGAALO COc1ccc(Cl)cc1S(=O)(=O)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700331 569222861 /nfs/dbraw/zinc/22/28/61/569222861.db2.gz KCPQEHMMCRCHMB-LJQANCHMSA-N 1 2 424.950 3.091 50 0 HGAALO O=S(=O)(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(C2CCCCC2)cc1 ZINC000014099510 569258516 /nfs/dbraw/zinc/25/85/16/569258516.db2.gz IPYINXFJDKNBEF-UHFFFAOYSA-N 1 2 415.559 3.444 50 0 HGAALO Cc1ccc(-c2nc(C(=O)NC[C@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)cs2)o1 ZINC000089656187 569261931 /nfs/dbraw/zinc/26/19/31/569261931.db2.gz KLMSLZRBABMEFM-HNNXBMFYSA-N 1 2 410.499 3.469 50 0 HGAALO C[C@@H]1CCc2c(sc(NC(=O)CSc3[nH+]cc4ccccn43)c2C(N)=O)C1 ZINC000089930116 569268864 /nfs/dbraw/zinc/26/88/64/569268864.db2.gz DQFWGGVZPOGYQL-LLVKDONJSA-N 1 2 400.529 3.350 50 0 HGAALO COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000017090621 569274755 /nfs/dbraw/zinc/27/47/55/569274755.db2.gz VDWSUSTYBIVVQO-UHFFFAOYSA-N 1 2 416.478 3.145 50 0 HGAALO COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000017090621 569274756 /nfs/dbraw/zinc/27/47/56/569274756.db2.gz VDWSUSTYBIVVQO-UHFFFAOYSA-N 1 2 416.478 3.145 50 0 HGAALO Cc1cccc2c(=O)n(CCC(=O)N3CC[NH+](Cc4cccc(Cl)c4)CC3)cnc12 ZINC000027104989 569278046 /nfs/dbraw/zinc/27/80/46/569278046.db2.gz ZXPDZUAJXPYVRQ-UHFFFAOYSA-N 1 2 424.932 3.093 50 0 HGAALO COc1ccc(-c2noc(C[NH+]3CCN(c4ncnc5sccc54)CC3)n2)cc1 ZINC000054520095 569287367 /nfs/dbraw/zinc/28/73/67/569287367.db2.gz DVEHIVZCEALWNG-UHFFFAOYSA-N 1 2 408.487 3.072 50 0 HGAALO COC(=O)c1ccc(C[N@@H+]2CCN(c3ccc(Br)cc3)C(=O)[C@H]2C)cc1 ZINC000037521283 569303054 /nfs/dbraw/zinc/30/30/54/569303054.db2.gz ZYPYHGTXHOACCL-CQSZACIVSA-N 1 2 417.303 3.473 50 0 HGAALO COC(=O)c1ccc(C[N@H+]2CCN(c3ccc(Br)cc3)C(=O)[C@H]2C)cc1 ZINC000037521283 569303055 /nfs/dbraw/zinc/30/30/55/569303055.db2.gz ZYPYHGTXHOACCL-CQSZACIVSA-N 1 2 417.303 3.473 50 0 HGAALO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccccc1F ZINC000007911010 569321660 /nfs/dbraw/zinc/32/16/60/569321660.db2.gz LPRWJPPSTJYBFL-UHFFFAOYSA-N 1 2 407.371 3.496 50 0 HGAALO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccccc1F ZINC000007911010 569321661 /nfs/dbraw/zinc/32/16/61/569321661.db2.gz LPRWJPPSTJYBFL-UHFFFAOYSA-N 1 2 407.371 3.496 50 0 HGAALO O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1cn2ccccc2[nH+]1 ZINC000007945938 569402881 /nfs/dbraw/zinc/40/28/81/569402881.db2.gz IXUVBWNEQUCPPN-UHFFFAOYSA-N 1 2 400.438 3.173 50 0 HGAALO CCCCn1c(C[N@H+](C)CCc2ccccn2)cnc1S(=O)(=O)CC1CCC1 ZINC000019227336 569414461 /nfs/dbraw/zinc/41/44/61/569414461.db2.gz XBXSACJWOUGNKV-UHFFFAOYSA-N 1 2 404.580 3.327 50 0 HGAALO CCCCn1c(C[N@@H+](C)CCc2ccccn2)cnc1S(=O)(=O)CC1CCC1 ZINC000019227336 569414462 /nfs/dbraw/zinc/41/44/62/569414462.db2.gz XBXSACJWOUGNKV-UHFFFAOYSA-N 1 2 404.580 3.327 50 0 HGAALO CCc1c[nH+]ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000078808886 569420555 /nfs/dbraw/zinc/42/05/55/569420555.db2.gz UBMZOVQHSPUGFL-UHFFFAOYSA-N 1 2 401.532 3.300 50 0 HGAALO COc1cc2c3cnn(C[N@@H+]4CC[C@H](c5ccccc5)C4)c(=O)c3n(C)c2cc1OC ZINC000079476959 569431509 /nfs/dbraw/zinc/43/15/09/569431509.db2.gz HMPDXALCTPIWSJ-KRWDZBQOSA-N 1 2 418.497 3.352 50 0 HGAALO COc1cc2c3cnn(C[N@H+]4CC[C@H](c5ccccc5)C4)c(=O)c3n(C)c2cc1OC ZINC000079476959 569431510 /nfs/dbraw/zinc/43/15/10/569431510.db2.gz HMPDXALCTPIWSJ-KRWDZBQOSA-N 1 2 418.497 3.352 50 0 HGAALO CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000008483555 571055030 /nfs/dbraw/zinc/05/50/30/571055030.db2.gz KINKVCPYCMOYEZ-UHFFFAOYSA-N 1 2 419.478 3.169 50 0 HGAALO CCc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)cc(OC)cc4c(=O)c3C2)cc1 ZINC000067349866 571081698 /nfs/dbraw/zinc/08/16/98/571081698.db2.gz YWVCORBAOGRGTR-UHFFFAOYSA-N 1 2 405.498 3.404 50 0 HGAALO CCc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)cc(OC)cc4c(=O)c3C2)cc1 ZINC000067349866 571081702 /nfs/dbraw/zinc/08/17/02/571081702.db2.gz YWVCORBAOGRGTR-UHFFFAOYSA-N 1 2 405.498 3.404 50 0 HGAALO CSc1nccn1-c1cccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000040135737 571188878 /nfs/dbraw/zinc/18/88/78/571188878.db2.gz RIEIGEDQLOACFO-UHFFFAOYSA-N 1 2 422.554 3.431 50 0 HGAALO O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)NCCCn1cc[nH+]c1 ZINC000009187656 571235120 /nfs/dbraw/zinc/23/51/20/571235120.db2.gz NOSYVNFXCRIAIM-VBKFSLOCSA-N 1 2 418.906 3.169 50 0 HGAALO C[C@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)C(=O)NCc1ccco1 ZINC000009339390 571249766 /nfs/dbraw/zinc/24/97/66/571249766.db2.gz GVGSHYCFBGURIK-INIZCTEOSA-N 1 2 411.531 3.253 50 0 HGAALO O=C(c1ccccc1)N1CCCCC[C@@H]1C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000070011897 571253854 /nfs/dbraw/zinc/25/38/54/571253854.db2.gz QTHRAPDHBCMOCC-OAQYLSRUSA-N 1 2 408.550 3.305 50 0 HGAALO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(Cl)cc2)C(=O)N3)cc1C ZINC000009526835 571265933 /nfs/dbraw/zinc/26/59/33/571265933.db2.gz POOGPRZNWARVFT-UHFFFAOYSA-N 1 2 424.932 3.307 50 0 biogenic HGAALO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009579248 571270186 /nfs/dbraw/zinc/27/01/86/571270186.db2.gz 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CCCS(=O)(=O)N1CCN(c2nc(C)[nH+]c(CC)c2Cc2cccc(C)c2)CC1 ZINC000006832998 132318315 /nfs/dbraw/zinc/31/83/15/132318315.db2.gz IRONZTOEVKRTJN-UHFFFAOYSA-N 1 2 416.591 3.108 50 0 HGAALO Cc1cc(N2CCN(CC(=O)Nc3ccc(F)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012768187 132366804 /nfs/dbraw/zinc/36/68/04/132366804.db2.gz ONJHCLTZMZWHJA-UHFFFAOYSA-N 1 2 405.905 3.462 50 0 HGAALO CC(C)(C)C(=O)COC(=O)c1ccccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000012562932 534426140 /nfs/dbraw/zinc/42/61/40/534426140.db2.gz JOCIRPRJRUTART-UHFFFAOYSA-N 1 2 411.502 3.302 50 0 HGAALO CC(C)NC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000032934624 519706367 /nfs/dbraw/zinc/70/63/67/519706367.db2.gz ASBMOTGVOGQMGZ-UHFFFAOYSA-N 1 2 421.607 3.002 50 0 HGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2csc(C(C)=O)c2)C[C@H]1CCO ZINC000036385842 521484390 /nfs/dbraw/zinc/48/43/90/521484390.db2.gz DRKYZUYOXWHCLU-HXUWFJFHSA-N 1 2 402.560 3.418 50 0 HGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2csc(C(C)=O)c2)C[C@H]1CCO ZINC000036385842 521484399 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ZINC000023249953 558545883 /nfs/dbraw/zinc/54/58/83/558545883.db2.gz PDEULMHTGYIASV-UHFFFAOYSA-N 1 2 403.910 3.114 50 0 HGAALO O=C(C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1)N1CCc2sccc2C1 ZINC000023261480 558546880 /nfs/dbraw/zinc/54/68/80/558546880.db2.gz CMDQVSNSGPDTJH-UHFFFAOYSA-N 1 2 407.942 3.243 50 0 HGAALO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc(Cl)cc1)CC(=O)N2 ZINC000013637518 558554756 /nfs/dbraw/zinc/55/47/56/558554756.db2.gz AZIDRVNTPDKCQN-CYBMUJFWSA-N 1 2 400.870 3.417 50 0 HGAALO O=C(C[C@@H]1OC(=O)c2ccccc21)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000023732092 558571537 /nfs/dbraw/zinc/57/15/37/558571537.db2.gz HPRAFFYTVQHYBD-FQEVSTJZSA-N 1 2 414.889 3.165 50 0 HGAALO O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735709 558572164 /nfs/dbraw/zinc/57/21/64/558572164.db2.gz ANFZLVWAVUKPMD-OAHLLOKOSA-N 1 2 403.935 3.099 50 0 HGAALO O=C(c1cccs1)N1CCC(C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000023736496 558572250 /nfs/dbraw/zinc/57/22/50/558572250.db2.gz 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CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000014199135 558635161 /nfs/dbraw/zinc/63/51/61/558635161.db2.gz AQAQXEIRQOZZPE-UHFFFAOYSA-N 1 2 410.517 3.152 50 0 HGAALO CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000014199135 558635163 /nfs/dbraw/zinc/63/51/63/558635163.db2.gz AQAQXEIRQOZZPE-UHFFFAOYSA-N 1 2 410.517 3.152 50 0 HGAALO O=C(c1ccco1)N1CC[NH+](C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000025329352 558638439 /nfs/dbraw/zinc/63/84/39/558638439.db2.gz WJCVNKWTLBYTQI-QFIPXVFZSA-N 1 2 420.509 3.205 50 0 HGAALO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000025528038 558642742 /nfs/dbraw/zinc/64/27/42/558642742.db2.gz FLBRGTIWSFKEBB-KIZRYQFWSA-N 1 2 422.573 3.350 50 0 HGAALO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025534127 558643000 /nfs/dbraw/zinc/64/30/00/558643000.db2.gz GWQJHTDQHBOTCJ-NSHDSACASA-N 1 2 408.380 3.214 50 0 HGAALO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025534127 558643002 /nfs/dbraw/zinc/64/30/02/558643002.db2.gz GWQJHTDQHBOTCJ-NSHDSACASA-N 1 2 408.380 3.214 50 0 HGAALO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000014246445 558647462 /nfs/dbraw/zinc/64/74/62/558647462.db2.gz HLFDGXDTNXLKOK-QFIPXVFZSA-N 1 2 414.509 3.292 50 0 HGAALO COc1cc(OC)cc([C@H](NC(=O)c2cc(-c3ccco3)on2)c2[nH+]ccn2C)c1 ZINC000026742452 558664673 /nfs/dbraw/zinc/66/46/73/558664673.db2.gz MYDMFZCYOUXGNS-IBGZPJMESA-N 1 2 408.414 3.205 50 0 HGAALO CCC[N@H+](CCn1nc2ccccn2c1=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000026901624 558666825 /nfs/dbraw/zinc/66/68/25/558666825.db2.gz JUCNECZTYHZROM-UHFFFAOYSA-N 1 2 422.316 3.154 50 0 HGAALO CCC[N@@H+](CCn1nc2ccccn2c1=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000026901624 558666827 /nfs/dbraw/zinc/66/68/27/558666827.db2.gz JUCNECZTYHZROM-UHFFFAOYSA-N 1 2 422.316 3.154 50 0 HGAALO COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)C[N@H+](Cc3ccc(O)cc3)C2)c1 ZINC000014745378 558668945 /nfs/dbraw/zinc/66/89/45/558668945.db2.gz PRNNBGXMLVJMET-QHCPKHFHSA-N 1 2 412.530 3.286 50 0 HGAALO COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)C[N@@H+](Cc3ccc(O)cc3)C2)c1 ZINC000014745378 558668946 /nfs/dbraw/zinc/66/89/46/558668946.db2.gz PRNNBGXMLVJMET-QHCPKHFHSA-N 1 2 412.530 3.286 50 0 HGAALO O=C(N[C@@H](CCn1cc[nH+]c1)c1ccccc1)c1cn(Cc2ccccc2F)nn1 ZINC000015061993 558705012 /nfs/dbraw/zinc/70/50/12/558705012.db2.gz PGMUZYGSNFGFOK-FQEVSTJZSA-N 1 2 404.449 3.223 50 0 HGAALO O=C(NCCc1cn2ccccc2[nH+]1)NCc1ccc(COCC(F)(F)F)cc1 ZINC000029725839 558719432 /nfs/dbraw/zinc/71/94/32/558719432.db2.gz HREOQOOZTMMDOV-UHFFFAOYSA-N 1 2 406.408 3.455 50 0 HGAALO O=C(CN1CCOCC1)Nc1c2c([nH+]c3ccccc31)N(Cc1ccccc1)CC2 ZINC000019314309 558777074 /nfs/dbraw/zinc/77/70/74/558777074.db2.gz VFJKMHBQTJARIE-UHFFFAOYSA-N 1 2 402.498 3.068 50 0 HGAALO C[NH+]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(F)cc2)N3)CC1 ZINC000038177100 558811052 /nfs/dbraw/zinc/81/10/52/558811052.db2.gz KJCNWIBVQCNNPG-HOCLYGCPSA-N 1 2 411.403 3.070 50 0 HGAALO O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528326 558812027 /nfs/dbraw/zinc/81/20/27/558812027.db2.gz IYMYYNSGLGAERR-UHFFFAOYSA-N 1 2 420.439 3.450 50 0 HGAALO O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528326 558812030 /nfs/dbraw/zinc/81/20/30/558812030.db2.gz IYMYYNSGLGAERR-UHFFFAOYSA-N 1 2 420.439 3.450 50 0 HGAALO CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000038528676 558812167 /nfs/dbraw/zinc/81/21/67/558812167.db2.gz MLVLPFPHYFUDMW-UHFFFAOYSA-N 1 2 410.522 3.220 50 0 HGAALO CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000038528676 558812170 /nfs/dbraw/zinc/81/21/70/558812170.db2.gz MLVLPFPHYFUDMW-UHFFFAOYSA-N 1 2 410.522 3.220 50 0 HGAALO Cc1c(C[N@@H+]2CC(=O)N(c3ccccc3C)[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000039388506 558820869 /nfs/dbraw/zinc/82/08/69/558820869.db2.gz NMQOCEVGGRBKKJ-GOSISDBHSA-N 1 2 404.514 3.030 50 0 HGAALO Cc1c(C[N@H+]2CC(=O)N(c3ccccc3C)[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000039388506 558820870 /nfs/dbraw/zinc/82/08/70/558820870.db2.gz NMQOCEVGGRBKKJ-GOSISDBHSA-N 1 2 404.514 3.030 50 0 HGAALO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000017730120 558827768 /nfs/dbraw/zinc/82/77/68/558827768.db2.gz IIGQMZOBQPDQHF-NRFANRHFSA-N 1 2 411.477 3.069 50 0 HGAALO CC[NH+]1CCN(S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)CC1 ZINC000046141280 558839938 /nfs/dbraw/zinc/83/99/38/558839938.db2.gz URGQLAQZVQKBNA-UHFFFAOYSA-N 1 2 418.544 3.100 50 0 HGAALO Cc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c1 ZINC000019229330 558853515 /nfs/dbraw/zinc/85/35/15/558853515.db2.gz IMZFILKRCAUDQM-IBGZPJMESA-N 1 2 417.431 3.468 50 0 HGAALO O=c1c(-c2ccccc2)coc2c1ccc1c2CN(CCC[NH+]2CCOCC2)CO1 ZINC000013723410 558860267 /nfs/dbraw/zinc/86/02/67/558860267.db2.gz XVKKEKUAQUMNAL-UHFFFAOYSA-N 1 2 406.482 3.334 50 0 biogenic HGAALO C[C@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000023023151 558865071 /nfs/dbraw/zinc/86/50/71/558865071.db2.gz GVGCEGBLSGHUKQ-MRXNPFEDSA-N 1 2 405.493 3.123 50 0 HGAALO CN(C)C(=O)COc1ccccc1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000019295559 558865827 /nfs/dbraw/zinc/86/58/27/558865827.db2.gz VLLIMTKWEJILCN-UHFFFAOYSA-N 1 2 406.486 3.482 50 0 HGAALO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057058646 558887358 /nfs/dbraw/zinc/88/73/58/558887358.db2.gz CMRYWKGKTPVKBY-QGZVFWFLSA-N 1 2 420.513 3.412 50 0 HGAALO CCc1cccc(CC)c1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000058154269 558902676 /nfs/dbraw/zinc/90/26/76/558902676.db2.gz QJWSJFLBUGDTCG-NRFANRHFSA-N 1 2 420.513 3.398 50 0 HGAALO COc1cc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc(OC)c1OC ZINC000019549824 558914608 /nfs/dbraw/zinc/91/46/08/558914608.db2.gz ZIGBWQVTEWNOSR-UHFFFAOYSA-N 1 2 404.894 3.324 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccccc2Cl)CC1)Nc1cccc2nsnc21 ZINC000096465808 558952971 /nfs/dbraw/zinc/95/29/71/558952971.db2.gz OVWLJPGCDVRHES-UHFFFAOYSA-N 1 2 401.923 3.101 50 0 HGAALO COc1ccc(OC)c(-c2nc3cc4c(cc3cc2C[NH+]2CCOCC2)OCO4)c1 ZINC000072440393 558981397 /nfs/dbraw/zinc/98/13/97/558981397.db2.gz QKJMXMMZFIFPNT-UHFFFAOYSA-N 1 2 408.454 3.480 50 0 HGAALO COc1ccc2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)nc2c1 ZINC000022997517 558981813 /nfs/dbraw/zinc/98/18/13/558981813.db2.gz GFWIJEOUWWQSIO-UHFFFAOYSA-N 1 2 401.488 3.267 50 0 HGAALO COc1ccc(OC)c(NC(=O)CCN2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000033345162 559064960 /nfs/dbraw/zinc/06/49/60/559064960.db2.gz BRKGKVASBNSRNV-TWGQIWQCSA-N 1 2 409.530 3.363 50 0 HGAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000247809934 559119301 /nfs/dbraw/zinc/11/93/01/559119301.db2.gz BXXHLOUIOGUWCB-MKXGPGLRSA-N 1 2 408.841 3.028 50 0 HGAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000247809934 559119302 /nfs/dbraw/zinc/11/93/02/559119302.db2.gz BXXHLOUIOGUWCB-MKXGPGLRSA-N 1 2 408.841 3.028 50 0 HGAALO O=C1C[C@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100129910 559130194 /nfs/dbraw/zinc/13/01/94/559130194.db2.gz WAIPPTPFBHFFPL-SFHVURJKSA-N 1 2 420.296 3.153 50 0 HGAALO Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024049649 559189167 /nfs/dbraw/zinc/18/91/67/559189167.db2.gz JLHLWVNVFSFCBQ-UHFFFAOYSA-N 1 2 413.275 3.312 50 0 HGAALO COc1cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000019549535 560094201 /nfs/dbraw/zinc/09/42/01/560094201.db2.gz IJMWMKKFSIJAJX-UHFFFAOYSA-N 1 2 404.894 3.324 50 0 biogenic,in-vitro HGAALO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](c1ccccc1O)C2 ZINC000005274294 560561311 /nfs/dbraw/zinc/56/13/11/560561311.db2.gz WRGCHHRCWNKDQM-QGZVFWFLSA-N 1 2 415.497 3.125 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000005338795 560567012 /nfs/dbraw/zinc/56/70/12/560567012.db2.gz IPYORVPWOXDUSZ-MKXGPGLRSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000005338795 560567013 /nfs/dbraw/zinc/56/70/13/560567013.db2.gz IPYORVPWOXDUSZ-MKXGPGLRSA-N 1 2 412.848 3.314 50 0 HGAALO CCOC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318469 560858781 /nfs/dbraw/zinc/85/87/81/560858781.db2.gz YDVYEGBLSOQILM-QFIPXVFZSA-N 1 2 405.498 3.224 50 0 HGAALO CCOC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318469 560858782 /nfs/dbraw/zinc/85/87/82/560858782.db2.gz YDVYEGBLSOQILM-QFIPXVFZSA-N 1 2 405.498 3.224 50 0 HGAALO CCn1c(C)cc(O)c([C@@H](c2cccnc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697470 568415509 /nfs/dbraw/zinc/41/55/09/568415509.db2.gz QVVQKPQTPRAGBU-HSZRJFAPSA-N 1 2 422.504 3.328 50 0 HGAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000045605897 568420174 /nfs/dbraw/zinc/42/01/74/568420174.db2.gz LTWPGAFWJZCCEL-UHFFFAOYSA-N 1 2 404.514 3.107 50 0 HGAALO Cc1cc(C)nc(Nc2nc(CC(=O)N3CC[NH+](C4CCCCC4)CC3)cs2)n1 ZINC000049029503 568445697 /nfs/dbraw/zinc/44/56/97/568445697.db2.gz WHAWVEMUYKPYSR-UHFFFAOYSA-N 1 2 414.579 3.313 50 0 HGAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000049031324 568445870 /nfs/dbraw/zinc/44/58/70/568445870.db2.gz KVOAUGZROUUXGZ-QGZVFWFLSA-N 1 2 408.951 3.437 50 0 HGAALO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024912366 568484120 /nfs/dbraw/zinc/48/41/20/568484120.db2.gz OFXLHSOYKFGDAA-UHFFFAOYSA-N 1 2 417.391 3.176 50 0 HGAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCc1coc(-c3ccccc3)n1)CC2 ZINC000095427686 568608145 /nfs/dbraw/zinc/60/81/45/568608145.db2.gz HBGVDFNLQKNBEF-UHFFFAOYSA-N 1 2 407.470 3.033 50 0 HGAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCc1coc(-c3ccccc3)n1)CC2 ZINC000095427686 568608146 /nfs/dbraw/zinc/60/81/46/568608146.db2.gz HBGVDFNLQKNBEF-UHFFFAOYSA-N 1 2 407.470 3.033 50 0 HGAALO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(C(=O)c4cccc(F)c4)CC3)c2c1 ZINC000020463634 568609955 /nfs/dbraw/zinc/60/99/55/568609955.db2.gz LDOKIPKYRRIQPP-UHFFFAOYSA-N 1 2 410.445 3.289 50 0 HGAALO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2c(Cl)nc3ccccn32)c2ccc(Cl)cc2)C1 ZINC000095451948 568615155 /nfs/dbraw/zinc/61/51/55/568615155.db2.gz OYXYCKZXYSMSHV-DOTOQJQBSA-N 1 2 419.312 3.443 50 0 HGAALO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2c(Cl)nc3ccccn32)c2ccc(Cl)cc2)C1 ZINC000095451948 568615157 /nfs/dbraw/zinc/61/51/57/568615157.db2.gz OYXYCKZXYSMSHV-DOTOQJQBSA-N 1 2 419.312 3.443 50 0 HGAALO CCOc1ccc(N2C[C@H](C(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3)CC2=O)cc1 ZINC000029070913 568644658 /nfs/dbraw/zinc/64/46/58/568644658.db2.gz IFQJYQVFCGKHEF-XMSQKQJNSA-N 1 2 418.497 3.078 50 0 HGAALO Cc1cccc(-n2ncc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2-n2cccc2)c1 ZINC000020979941 568654577 /nfs/dbraw/zinc/65/45/77/568654577.db2.gz AQTOASMSOWWGHO-UHFFFAOYSA-N 1 2 412.497 3.329 50 0 HGAALO CC(C)[C@H]1[NH2+]C2(CCN(C(=O)c3cccs3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000096279811 568671489 /nfs/dbraw/zinc/67/14/89/568671489.db2.gz QEBXLPJGPGTRTE-LJQANCHMSA-N 1 2 415.534 3.476 50 0 HGAALO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)N(C)CCOc3ccc(C)cc3)cc2)CC1 ZINC000095992689 568677865 /nfs/dbraw/zinc/67/78/65/568677865.db2.gz OGMGBZGSLNFFSM-UHFFFAOYSA-N 1 2 424.545 3.202 50 0 HGAALO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000095995449 568678593 /nfs/dbraw/zinc/67/85/93/568678593.db2.gz BGEWOMDKKDSXRI-OLZOCXBDSA-N 1 2 406.914 3.312 50 0 HGAALO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000095995449 568678595 /nfs/dbraw/zinc/67/85/95/568678595.db2.gz BGEWOMDKKDSXRI-OLZOCXBDSA-N 1 2 406.914 3.312 50 0 HGAALO CN(C)c1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c2ccccc2n1 ZINC000096006690 568682902 /nfs/dbraw/zinc/68/29/02/568682902.db2.gz LXOFIGRVFKTFDX-JOCHJYFZSA-N 1 2 404.514 3.104 50 0 HGAALO CCNC(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2cccc(OC)c2)CC1 ZINC000096316773 568725618 /nfs/dbraw/zinc/72/56/18/568725618.db2.gz NEYKZPVSBRJENB-UHFFFAOYSA-N 1 2 409.534 3.113 50 0 HGAALO COc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000096318397 568727346 /nfs/dbraw/zinc/72/73/46/568727346.db2.gz LBSYJUOTHJZDPY-UHFFFAOYSA-N 1 2 406.486 3.248 50 0 HGAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCC2(CC1)OCCO2 ZINC000052073064 568750938 /nfs/dbraw/zinc/75/09/38/568750938.db2.gz RRSRXKNRBATNEH-LJQANCHMSA-N 1 2 404.557 3.123 50 0 HGAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCC2(CC1)OCCO2 ZINC000052073064 568750940 /nfs/dbraw/zinc/75/09/40/568750940.db2.gz RRSRXKNRBATNEH-LJQANCHMSA-N 1 2 404.557 3.123 50 0 HGAALO CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415607 568833956 /nfs/dbraw/zinc/83/39/56/568833956.db2.gz USWSVZMABZNFPY-OAQYLSRUSA-N 1 2 409.461 3.055 50 0 HGAALO CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415607 568833957 /nfs/dbraw/zinc/83/39/57/568833957.db2.gz USWSVZMABZNFPY-OAQYLSRUSA-N 1 2 409.461 3.055 50 0 HGAALO C[NH+]1CCN(S(=O)(=O)c2ccc(Sc3cccc(C(F)(F)F)c3)nc2)CC1 ZINC000012516547 568840666 /nfs/dbraw/zinc/84/06/66/568840666.db2.gz 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Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 ZINC000012550195 568852304 /nfs/dbraw/zinc/85/23/04/568852304.db2.gz RRZMAIMCOXYLSW-GOSISDBHSA-N 1 2 400.276 3.467 50 0 HGAALO CC[C@@H](c1nnc(SCC(=O)Nc2cc(C)on2)n1Cc1ccccc1)[NH+](C)C ZINC000003552206 568914912 /nfs/dbraw/zinc/91/49/12/568914912.db2.gz OOIDWWROTQVACY-INIZCTEOSA-N 1 2 414.535 3.366 50 0 HGAALO Cc1oc(-c2cccs2)nc1C(=O)N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000084052883 568933670 /nfs/dbraw/zinc/93/36/70/568933670.db2.gz IXKFTJXLSYBEFJ-ROUUACIJSA-N 1 2 409.511 3.437 50 0 HGAALO Cc1oc(-c2cccs2)nc1C(=O)N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000084052883 568933673 /nfs/dbraw/zinc/93/36/73/568933673.db2.gz IXKFTJXLSYBEFJ-ROUUACIJSA-N 1 2 409.511 3.437 50 0 HGAALO C/C=C/c1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc(OC)c1OC ZINC000012777107 568955551 /nfs/dbraw/zinc/95/55/51/568955551.db2.gz JFZFTBCZIQVAHI-QPJJXVBHSA-N 1 2 410.514 3.499 50 0 HGAALO CCC[C@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)CCN1CC(=O)N(C(C)C)C(C)C ZINC000084740840 568957961 /nfs/dbraw/zinc/95/79/61/568957961.db2.gz JOTZXNFHNLYHPD-NRFANRHFSA-N 1 2 410.647 3.064 50 0 HGAALO CCC[C@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)CCN1CC(=O)N(C(C)C)C(C)C ZINC000084740840 568957962 /nfs/dbraw/zinc/95/79/62/568957962.db2.gz JOTZXNFHNLYHPD-NRFANRHFSA-N 1 2 410.647 3.064 50 0 HGAALO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(NCCC(=O)OC)c2c1C ZINC000007976539 568962936 /nfs/dbraw/zinc/96/29/36/568962936.db2.gz XXTQJICRVLELLP-UHFFFAOYSA-N 1 2 420.535 3.137 50 0 HGAALO Cc1ccc([C@@H](CNC(=O)C2(c3ccccc3)CCOCC2)[NH+]2CCOCC2)cc1 ZINC000038629511 569003676 /nfs/dbraw/zinc/00/36/76/569003676.db2.gz CZVKLCIXWVYSAF-HSZRJFAPSA-N 1 2 408.542 3.233 50 0 HGAALO CCOc1ccccc1CN1CC[N@H+](Cc2cc(OC)ccc2OC)C[C@H]1CCO ZINC000104369442 569008448 /nfs/dbraw/zinc/00/84/48/569008448.db2.gz LRFMMEMNOXFXTJ-OAQYLSRUSA-N 1 2 414.546 3.171 50 0 HGAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cc(OC)ccc2OC)C[C@H]1CCO ZINC000104369442 569008449 /nfs/dbraw/zinc/00/84/49/569008449.db2.gz LRFMMEMNOXFXTJ-OAQYLSRUSA-N 1 2 414.546 3.171 50 0 HGAALO COc1ccccc1C(=O)N1CC[NH+](Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)CC1 ZINC000015865383 569016597 /nfs/dbraw/zinc/01/65/97/569016597.db2.gz ZGYLUOOSYFNTGJ-UHFFFAOYSA-N 1 2 405.498 3.112 50 0 HGAALO COc1cc(C[N@H+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1OC(F)F ZINC000016354629 569031931 /nfs/dbraw/zinc/03/19/31/569031931.db2.gz DONONSXRDRHPJB-UHFFFAOYSA-N 1 2 411.449 3.187 50 0 HGAALO COc1cc(C[N@@H+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1OC(F)F ZINC000016354629 569031932 /nfs/dbraw/zinc/03/19/32/569031932.db2.gz DONONSXRDRHPJB-UHFFFAOYSA-N 1 2 411.449 3.187 50 0 HGAALO Cc1ccc(C)c(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c1 ZINC000035430810 569036787 /nfs/dbraw/zinc/03/67/87/569036787.db2.gz SQGYIZMHPXJHMH-UHFFFAOYSA-N 1 2 418.541 3.270 50 0 biogenic HGAALO Cc1cccc(-c2nnc(-c3nc4ccccc4c(NCC[NH+]4CCOCC4)n3)o2)c1 ZINC000035560844 569044967 /nfs/dbraw/zinc/04/49/67/569044967.db2.gz FFPGNUOIYGYPAT-UHFFFAOYSA-N 1 2 416.485 3.399 50 0 HGAALO 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ZINC000065034945 569158435 /nfs/dbraw/zinc/15/84/35/569158435.db2.gz CLKUYUMZZRWMDH-UHFFFAOYSA-N 1 2 409.917 3.473 50 0 HGAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)NCc1cccc(Cl)c1)CC3 ZINC000065034945 569158436 /nfs/dbraw/zinc/15/84/36/569158436.db2.gz CLKUYUMZZRWMDH-UHFFFAOYSA-N 1 2 409.917 3.473 50 0 HGAALO COc1ccc(NC(=O)c2cn(-c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)cn2)c(OC)c1 ZINC000065239925 569203638 /nfs/dbraw/zinc/20/36/38/569203638.db2.gz BPKHYRUMMOLNIZ-OAHLLOKOSA-N 1 2 422.489 3.168 50 0 HGAALO CCCC[NH+]1CCN(S(=O)(=O)c2cc(-c3nnc(C4CCCC4)o3)co2)CC1 ZINC000065246705 569205660 /nfs/dbraw/zinc/20/56/60/569205660.db2.gz VFBRIMXHMYMGIL-UHFFFAOYSA-N 1 2 408.524 3.094 50 0 HGAALO Cc1cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616582 569207608 /nfs/dbraw/zinc/20/76/08/569207608.db2.gz BSBGKQKOEPFYRD-UHFFFAOYSA-N 1 2 419.460 3.419 50 0 HGAALO COc1ccc(Cl)cc1S(=O)(=O)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700329 569222871 /nfs/dbraw/zinc/22/28/71/569222871.db2.gz KCPQEHMMCRCHMB-IBGZPJMESA-N 1 2 424.950 3.091 50 0 HGAALO COc1ccc(Cl)cc1S(=O)(=O)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700329 569222872 /nfs/dbraw/zinc/22/28/72/569222872.db2.gz KCPQEHMMCRCHMB-IBGZPJMESA-N 1 2 424.950 3.091 50 0 HGAALO CC1(C)Cc2cccc(OCC(=O)NC[C@@H](c3ccco3)[NH+]3CCSCC3)c2O1 ZINC000239846237 569237173 /nfs/dbraw/zinc/23/71/73/569237173.db2.gz KZUBPHCJOBQDEU-KRWDZBQOSA-N 1 2 416.543 3.278 50 0 HGAALO C[C@H](NC(=O)C[NH+]1CCC(c2nc(N(C)C)no2)CC1)c1ccc2ccccc2c1 ZINC000170601543 569243186 /nfs/dbraw/zinc/24/31/86/569243186.db2.gz JYARMFNAFBVIOO-INIZCTEOSA-N 1 2 407.518 3.346 50 0 HGAALO O=C(C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1cccc2nonc21 ZINC000013324502 569255034 /nfs/dbraw/zinc/25/50/34/569255034.db2.gz UVOYONYPLSQXML-UHFFFAOYSA-N 1 2 406.273 3.290 50 0 HGAALO COC(=O)c1cccc(NC2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)CC2)c1 ZINC000089700360 569262793 /nfs/dbraw/zinc/26/27/93/569262793.db2.gz IMRRHTGLYVCNKU-UHFFFAOYSA-N 1 2 406.486 3.075 50 0 HGAALO 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O=C(CSc1nc2ccccc2s1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000023295871 558548082 /nfs/dbraw/zinc/54/80/82/558548082.db2.gz HDOZQTBROQPCJZ-QGZVFWFLSA-N 1 2 413.568 3.406 50 0 HGAALO O=C(CSc1nc2ccccc2s1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000023295871 558548084 /nfs/dbraw/zinc/54/80/84/558548084.db2.gz HDOZQTBROQPCJZ-QGZVFWFLSA-N 1 2 413.568 3.406 50 0 HGAALO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023763604 558575239 /nfs/dbraw/zinc/57/52/39/558575239.db2.gz IEAYYUJEPJOXCF-UHFFFAOYSA-N 1 2 414.449 3.091 50 0 HGAALO CSCC[C@H]1NC(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)C1=O ZINC000023846650 558577653 /nfs/dbraw/zinc/57/76/53/558577653.db2.gz LFHAOFCCCYHKFQ-CZUORRHYSA-N 1 2 407.586 3.388 50 0 HGAALO CSCC[C@H]1NC(=O)N(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)C1=O ZINC000023846650 558577654 /nfs/dbraw/zinc/57/76/54/558577654.db2.gz LFHAOFCCCYHKFQ-CZUORRHYSA-N 1 2 407.586 3.388 50 0 HGAALO C[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000023846178 558577745 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C[C@@H](c1nnc(SCC(=O)NCc2cccs2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004500404 558612615 /nfs/dbraw/zinc/61/26/15/558612615.db2.gz QKOMJEOERXYLLY-ZDUSSCGKSA-N 1 2 419.551 3.499 50 0 HGAALO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+](C)Cc1cnn(CC)c1C)CCC2 ZINC000014187109 558631496 /nfs/dbraw/zinc/63/14/96/558631496.db2.gz YRBMRIOGMKMPQS-UHFFFAOYSA-N 1 2 404.536 3.009 50 0 HGAALO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+](C)Cc1cnn(CC)c1C)CCC2 ZINC000014187109 558631499 /nfs/dbraw/zinc/63/14/99/558631499.db2.gz YRBMRIOGMKMPQS-UHFFFAOYSA-N 1 2 404.536 3.009 50 0 HGAALO O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025339640 558638862 /nfs/dbraw/zinc/63/88/62/558638862.db2.gz ZMDNAAJTCVSVKR-UHFFFAOYSA-N 1 2 410.787 3.176 50 0 HGAALO O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025426877 558640921 /nfs/dbraw/zinc/64/09/21/558640921.db2.gz UHLAXWKXXQURBJ-UHFFFAOYSA-N 1 2 416.525 3.081 50 0 HGAALO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000025685722 558647862 /nfs/dbraw/zinc/64/78/62/558647862.db2.gz FSXOGUQMHBZTQL-XMSQKQJNSA-N 1 2 402.560 3.240 50 0 HGAALO O=C(COc1ccc(F)cc1Br)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014253280 558650521 /nfs/dbraw/zinc/65/05/21/558650521.db2.gz FDEAQBHCAVHUBY-UHFFFAOYSA-N 1 2 423.282 3.438 50 0 HGAALO COc1ccc(C[N@H+]2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccc3)C2)cc1O ZINC000014747834 558669709 /nfs/dbraw/zinc/66/97/09/558669709.db2.gz KGDVURFENKDCQQ-NRFANRHFSA-N 1 2 412.530 3.286 50 0 HGAALO COc1ccc(C[N@@H+]2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccc3)C2)cc1O ZINC000014747834 558669712 /nfs/dbraw/zinc/66/97/12/558669712.db2.gz KGDVURFENKDCQQ-NRFANRHFSA-N 1 2 412.530 3.286 50 0 HGAALO COc1ccc(C[N@H+]2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3)C2)cc1O ZINC000014747833 558669760 /nfs/dbraw/zinc/66/97/60/558669760.db2.gz KGDVURFENKDCQQ-OAQYLSRUSA-N 1 2 412.530 3.286 50 0 HGAALO COc1ccc(C[N@@H+]2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3)C2)cc1O ZINC000014747833 558669763 /nfs/dbraw/zinc/66/97/63/558669763.db2.gz KGDVURFENKDCQQ-OAQYLSRUSA-N 1 2 412.530 3.286 50 0 HGAALO CCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3c(C)nn(C)c3C)C2)nc[nH+]1 ZINC000065245110 558675047 /nfs/dbraw/zinc/67/50/47/558675047.db2.gz YDCKLNKXWJJZIK-MAUKXSAKSA-N 1 2 413.570 3.133 50 0 HGAALO CCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3c(C)nn(C)c3C)C2)[nH+]cn1 ZINC000065245110 558675051 /nfs/dbraw/zinc/67/50/51/558675051.db2.gz YDCKLNKXWJJZIK-MAUKXSAKSA-N 1 2 413.570 3.133 50 0 HGAALO O=C(C[N@@H+]1CCOc2ccccc2C1)N[C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000014963848 558684916 /nfs/dbraw/zinc/68/49/16/558684916.db2.gz XCTHSWZPEFVAMI-FQEVSTJZSA-N 1 2 420.488 3.400 50 0 HGAALO O=C(C[N@H+]1CCOc2ccccc2C1)N[C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000014963848 558684917 /nfs/dbraw/zinc/68/49/17/558684917.db2.gz XCTHSWZPEFVAMI-FQEVSTJZSA-N 1 2 420.488 3.400 50 0 HGAALO CCn1cc[nH+]c1CN1CCN(C(=O)c2cccnc2SC(F)(F)F)C[C@@H]1C ZINC000072281485 558706346 /nfs/dbraw/zinc/70/63/46/558706346.db2.gz ZRGPHGKDYCVSBF-ZDUSSCGKSA-N 1 2 413.469 3.256 50 0 HGAALO COC(=O)C1CC[NH+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 ZINC000028928371 558707408 /nfs/dbraw/zinc/70/74/08/558707408.db2.gz OJCXVTPCPXOXJH-UHFFFAOYSA-N 1 2 410.518 3.353 50 0 HGAALO COc1cc(OC)cc([C@H](NC(=O)NCCc2cccs2)c2[nH+]ccn2C)c1 ZINC000029324554 558713708 /nfs/dbraw/zinc/71/37/08/558713708.db2.gz TXNSYPSUIFDMQE-SFHVURJKSA-N 1 2 400.504 3.130 50 0 HGAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000030540185 558732087 /nfs/dbraw/zinc/73/20/87/558732087.db2.gz ONFRTDYNEZUUDJ-IBGZPJMESA-N 1 2 416.905 3.305 50 0 HGAALO Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C)CC4)cc3N2)cc1 ZINC000033927164 558772311 /nfs/dbraw/zinc/77/23/11/558772311.db2.gz HNWWNDJRBHIJHJ-RDJZCZTQSA-N 1 2 407.440 3.239 50 0 HGAALO CCOc1cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc(OCC)c1OCC ZINC000016579881 558796306 /nfs/dbraw/zinc/79/63/06/558796306.db2.gz LIHISZZYTADCLF-UHFFFAOYSA-N 1 2 402.491 3.434 50 0 HGAALO COc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)CC1 ZINC000018249610 558834595 /nfs/dbraw/zinc/83/45/95/558834595.db2.gz KLNBBNNTQFUOBG-LJQANCHMSA-N 1 2 413.905 3.111 50 0 HGAALO Cc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000019144422 558846571 /nfs/dbraw/zinc/84/65/71/558846571.db2.gz ANCKSIPQZZGQHK-OAQYLSRUSA-N 1 2 420.557 3.371 50 0 HGAALO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000019235636 558854856 /nfs/dbraw/zinc/85/48/56/558854856.db2.gz MFPRNNYSQKRCGJ-OAQYLSRUSA-N 1 2 412.530 3.077 50 0 HGAALO COc1cccc(CN2CC[N@H+](Cc3ccc4cccc(F)c4n3)C[C@@H]2CCO)c1 ZINC000019300026 558866255 /nfs/dbraw/zinc/86/62/55/558866255.db2.gz JNXXLLSIXMRKPZ-NRFANRHFSA-N 1 2 409.505 3.451 50 0 HGAALO COc1cccc(CN2CC[N@@H+](Cc3ccc4cccc(F)c4n3)C[C@@H]2CCO)c1 ZINC000019300026 558866256 /nfs/dbraw/zinc/86/62/56/558866256.db2.gz JNXXLLSIXMRKPZ-NRFANRHFSA-N 1 2 409.505 3.451 50 0 HGAALO CC(=O)c1ccccc1C(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000055035719 558869923 /nfs/dbraw/zinc/86/99/23/558869923.db2.gz QJVWKXIRFHIZTM-IBGZPJMESA-N 1 2 409.505 3.455 50 0 HGAALO COC(=O)c1ccc(-c2noc(C[NH+]3CCN(c4cccc(C)c4C)CC3)n2)cc1 ZINC000055269514 558877779 /nfs/dbraw/zinc/87/77/79/558877779.db2.gz QVJRWDKGJHNZCW-UHFFFAOYSA-N 1 2 406.486 3.462 50 0 HGAALO CC[NH+](CC)Cc1nnc2sc(-c3cccc(I)c3)nn12 ZINC000071260541 558896522 /nfs/dbraw/zinc/89/65/22/558896522.db2.gz BRHQKZOJIAFVHZ-UHFFFAOYSA-N 1 2 413.288 3.299 50 0 HGAALO CCCCOc1ccc(C(=O)NCC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000058139839 558901411 /nfs/dbraw/zinc/90/14/11/558901411.db2.gz OWLZCYFBSGEEEY-UHFFFAOYSA-N 1 2 413.518 3.274 50 0 HGAALO COc1cccc(N2CC[NH+](CC(=O)NCc3ccc(Cl)cc3Cl)CC2)c1 ZINC000058149158 558902335 /nfs/dbraw/zinc/90/23/35/558902335.db2.gz ABAAXMSMYSFXKF-UHFFFAOYSA-N 1 2 408.329 3.440 50 0 HGAALO CCCNC(=O)C[NH+]1CCN(c2nc(C)nc3scc(-c4cccs4)c32)CC1 ZINC000058158394 558903759 /nfs/dbraw/zinc/90/37/59/558903759.db2.gz JJTGZZJBQLEQIZ-UHFFFAOYSA-N 1 2 415.588 3.376 50 0 HGAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)[nH+]c(C)n2)n1 ZINC000067612334 558988938 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3.238 50 0 HGAALO COc1ccc(CN2CC[N@H+](Cc3nc4c(s3)CCCC4)C[C@@H]2CCO)c(F)c1 ZINC000097463735 559118763 /nfs/dbraw/zinc/11/87/63/559118763.db2.gz WCXHHZFOGXBPHQ-KRWDZBQOSA-N 1 2 419.566 3.238 50 0 HGAALO COc1ccc(CN2CC[N@@H+](Cc3nc4c(s3)CCCC4)C[C@@H]2CCO)c(F)c1 ZINC000097463735 559118764 /nfs/dbraw/zinc/11/87/64/559118764.db2.gz WCXHHZFOGXBPHQ-KRWDZBQOSA-N 1 2 419.566 3.238 50 0 HGAALO CCOc1ccc(NC(=O)CN2CCN(c3[nH+]ccn3-c3ccc(C)cc3)CC2)cc1 ZINC000011695761 559188942 /nfs/dbraw/zinc/18/89/42/559188942.db2.gz QVRFZZYGRXZBIV-UHFFFAOYSA-N 1 2 419.529 3.340 50 0 HGAALO COc1ccc(NC(=O)CCN2CC[NH+](C/C=C\c3ccccc3)CC2)c(OC)c1 ZINC000033421057 559190606 /nfs/dbraw/zinc/19/06/06/559190606.db2.gz XPZFRQSPGQZWCH-TWGQIWQCSA-N 1 2 409.530 3.363 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000024119059 559247225 /nfs/dbraw/zinc/24/72/25/559247225.db2.gz JTGYRLHKRUVKET-UHFFFAOYSA-N 1 2 423.557 3.067 50 0 HGAALO COCCn1ccc2c1cccc2C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000409415038 559251012 /nfs/dbraw/zinc/25/10/12/559251012.db2.gz RSNWKMMUSMWZLJ-UHFFFAOYSA-N 1 2 423.513 3.251 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(F)c(F)c1)N1CC[NH+](CC)CC1)S2 ZINC000022578156 559259077 /nfs/dbraw/zinc/25/90/77/559259077.db2.gz MLTNTIGSUWUKQK-INIZCTEOSA-N 1 2 407.490 3.064 50 0 HGAALO COc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(C[NH+]2CCCCC2)C3=O)cc1 ZINC000226758642 559273888 /nfs/dbraw/zinc/27/38/88/559273888.db2.gz ZXFCDYMSTODJBE-HSZRJFAPSA-N 1 2 423.538 3.418 50 0 HGAALO COc1cccc(CN2CCC[C@]3(CCN(c4nc[nH+]c(C)c4C)C3)C2=O)c1OC ZINC000426503105 559274488 /nfs/dbraw/zinc/27/44/88/559274488.db2.gz UJFVRWLXNOCONZ-HSZRJFAPSA-N 1 2 410.518 3.130 50 0 HGAALO NC(=O)N[C@@H](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1Cl ZINC000024437520 560811133 /nfs/dbraw/zinc/81/11/33/560811133.db2.gz CZVJDAGVHBCYGT-IBGZPJMESA-N 1 2 411.893 3.001 50 0 HGAALO C[C@H](NC(=O)C(=O)NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907567 568416135 /nfs/dbraw/zinc/41/61/35/568416135.db2.gz PTKKRAHNDJQKSV-AVRDEDQJSA-N 1 2 417.509 3.373 50 0 HGAALO C[C@H](NC(=O)C(=O)NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907567 568416137 /nfs/dbraw/zinc/41/61/37/568416137.db2.gz PTKKRAHNDJQKSV-AVRDEDQJSA-N 1 2 417.509 3.373 50 0 HGAALO CCOC(=O)c1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1 ZINC000048012735 568431895 /nfs/dbraw/zinc/43/18/95/568431895.db2.gz DFXVPUKHLQGEMF-IYBDPMFKSA-N 1 2 412.490 3.194 50 0 HGAALO Cc1cc(N2CCN([C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000048236334 568432930 /nfs/dbraw/zinc/43/29/30/568432930.db2.gz OZJWRVQGYYCTTL-MOPGFXCFSA-N 1 2 407.562 3.397 50 0 HGAALO O=C(CCc1nc(-c2cccnc2)no1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048263040 568433722 /nfs/dbraw/zinc/43/37/22/568433722.db2.gz JHQVOZBNKYQJQU-UHFFFAOYSA-N 1 2 406.490 3.156 50 0 HGAALO CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCC(C)C)cn3C2CC2)CC1 ZINC000051364267 568435870 /nfs/dbraw/zinc/43/58/70/568435870.db2.gz BFOGNLWVUWSYJE-UHFFFAOYSA-N 1 2 415.509 3.430 50 0 HGAALO O=C(C[N@@H+]1CCC[C@H]1c1nnc2ccccn21)N1CCC(Cc2ccccc2)CC1 ZINC000048308571 568436328 /nfs/dbraw/zinc/43/63/28/568436328.db2.gz IFYALSPKJQKRMQ-NRFANRHFSA-N 1 2 403.530 3.348 50 0 HGAALO O=C(C[N@H+]1CCC[C@H]1c1nnc2ccccn21)N1CCC(Cc2ccccc2)CC1 ZINC000048308571 568436329 /nfs/dbraw/zinc/43/63/29/568436329.db2.gz IFYALSPKJQKRMQ-NRFANRHFSA-N 1 2 403.530 3.348 50 0 HGAALO COc1ccc(C[NH2+]Cc2cn3cc(Br)ccc3n2)c(OC)c1OC ZINC000048314608 568437907 /nfs/dbraw/zinc/43/79/07/568437907.db2.gz HBZJGPQRSDSUNG-UHFFFAOYSA-N 1 2 406.280 3.412 50 0 HGAALO CC(=O)N[C@H](CC(=O)N1CC[NH+](Cc2ccccc2F)CC1)c1ccc(Cl)cc1 ZINC000048363110 568441694 /nfs/dbraw/zinc/44/16/94/568441694.db2.gz RJLSCOIRNZPCRZ-OAQYLSRUSA-N 1 2 417.912 3.391 50 0 HGAALO O=C(CCc1ccccc1)NC1CC[NH+](Cn2c(=O)oc3cc(Cl)ccc32)CC1 ZINC000048365601 568441780 /nfs/dbraw/zinc/44/17/80/568441780.db2.gz QCKPNFHMTRTBFT-UHFFFAOYSA-N 1 2 413.905 3.419 50 0 HGAALO CCOC(=O)c1ccccc1NC(=O)C[NH+]1CCC(c2nnc(-c3ccco3)o2)CC1 ZINC000049372024 568447276 /nfs/dbraw/zinc/44/72/76/568447276.db2.gz PSPPZUHGPYGPQK-UHFFFAOYSA-N 1 2 424.457 3.324 50 0 HGAALO CCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](/C=C/c4ccccc4)CC3)C2=O)cc1 ZINC000049606617 568452520 /nfs/dbraw/zinc/45/25/20/568452520.db2.gz WRJYASKCAQIGLQ-OTOIZHKDSA-N 1 2 419.525 3.396 50 0 HGAALO C[C@H]1Oc2ccccc2N(CCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1=O ZINC000022290445 568479236 /nfs/dbraw/zinc/47/92/36/568479236.db2.gz RYBZHQWUVIXKQK-OAHLLOKOSA-N 1 2 414.531 3.272 50 0 HGAALO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCC[NH+]4CCOCC4)cc3NC2=O)c1 ZINC000020355279 568599699 /nfs/dbraw/zinc/59/96/99/568599699.db2.gz NQLOQZGQGOPSEY-KGENOOAVSA-N 1 2 423.538 3.142 50 0 HGAALO COc1cc(CNC(=O)C2(N3CC[NH+](C)CC3)CCCC2)ccc1OCCC(C)C ZINC000095405507 568605928 /nfs/dbraw/zinc/60/59/28/568605928.db2.gz LMVLNNAAOSUABS-UHFFFAOYSA-N 1 2 417.594 3.297 50 0 HGAALO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C[C@@H]1C ZINC000095451836 568614891 /nfs/dbraw/zinc/61/48/91/568614891.db2.gz VKGQRORNDPCRHO-ROUUACIJSA-N 1 2 400.544 3.215 50 0 HGAALO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C[C@@H]1C ZINC000095451836 568614893 /nfs/dbraw/zinc/61/48/93/568614893.db2.gz VKGQRORNDPCRHO-ROUUACIJSA-N 1 2 400.544 3.215 50 0 HGAALO Fc1cccc(F)c1C1=NO[C@H](C[NH+]2CCN(c3ncnc4ccsc43)CC2)C1 ZINC000095456076 568617395 /nfs/dbraw/zinc/61/73/95/568617395.db2.gz QIHBBUCZEQERLG-ZDUSSCGKSA-N 1 2 415.469 3.285 50 0 HGAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020502915 568619568 /nfs/dbraw/zinc/61/95/68/568619568.db2.gz KOVGUIXBVBJTBQ-UHFFFAOYSA-N 1 2 406.482 3.402 50 0 HGAALO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020502915 568619569 /nfs/dbraw/zinc/61/95/69/568619569.db2.gz KOVGUIXBVBJTBQ-UHFFFAOYSA-N 1 2 406.482 3.402 50 0 HGAALO Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1ccc2c(c1)[nH+]c(C(C)C)n2C ZINC000095472194 568627528 /nfs/dbraw/zinc/62/75/28/568627528.db2.gz UJOHGJKCDJIHRB-UHFFFAOYSA-N 1 2 407.449 3.493 50 0 HGAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2[nH]c1=S ZINC000020645359 568638965 /nfs/dbraw/zinc/63/89/65/568638965.db2.gz LFWJNDSWJNBXLC-HOTGVXAUSA-N 1 2 416.591 3.145 50 0 HGAALO O=C(C[NH+]1CC(c2nc(-c3ccco3)no2)C1)Nc1ccc(Br)cc1 ZINC000096024274 568685973 /nfs/dbraw/zinc/68/59/73/568685973.db2.gz LKCVOUUQYQSMDV-UHFFFAOYSA-N 1 2 403.236 3.130 50 0 HGAALO CCc1cc(N2CCCC2)nc(SCc2cccc(C(=O)NCCOC)c2)[nH+]1 ZINC000096211033 568704703 /nfs/dbraw/zinc/70/47/03/568704703.db2.gz DJLRTGYBWCFURK-UHFFFAOYSA-N 1 2 400.548 3.308 50 0 HGAALO O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)nc1)NCC[NH+]1CCOCC1 ZINC000096289108 568719749 /nfs/dbraw/zinc/71/97/49/568719749.db2.gz DJJVOOPSAGAEHA-GOSISDBHSA-N 1 2 412.921 3.187 50 0 HGAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)COC)CC2)c1Cc1cccc(C)c1 ZINC000096316838 568726004 /nfs/dbraw/zinc/72/60/04/568726004.db2.gz COBCLYSUSKSHDY-UHFFFAOYSA-N 1 2 410.562 3.357 50 0 HGAALO CC[C@H](C)c1nc(N2CCN(C(=O)COC)CC2)c(Cc2cccc(C)c2)c(C)[nH+]1 ZINC000096317481 568726754 /nfs/dbraw/zinc/72/67/54/568726754.db2.gz DZIULJRMJGMVGM-SFHVURJKSA-N 1 2 410.562 3.493 50 0 HGAALO COC1(CNC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)CCC(C)CC1 ZINC000241132855 568730873 /nfs/dbraw/zinc/73/08/73/568730873.db2.gz JMFMDMDURBKTIN-UHFFFAOYSA-N 1 2 417.531 3.208 50 0 HGAALO O=C1[C@@H]([N@@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)CCN1c1ccccc1F ZINC000241775904 568731876 /nfs/dbraw/zinc/73/18/76/568731876.db2.gz RQBVSVJQCNIQST-PXNSSMCTSA-N 1 2 410.493 3.080 50 0 HGAALO O=C1[C@@H]([N@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)CCN1c1ccccc1F ZINC000241775904 568731877 /nfs/dbraw/zinc/73/18/77/568731877.db2.gz RQBVSVJQCNIQST-PXNSSMCTSA-N 1 2 410.493 3.080 50 0 HGAALO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)NC3(CCCCCC3)C2=O)c(OC)c1 ZINC000052583173 568770895 /nfs/dbraw/zinc/77/08/95/568770895.db2.gz GBLAGLIGDLTNGQ-SFHVURJKSA-N 1 2 401.507 3.443 50 0 HGAALO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)NC3(CCCCCC3)C2=O)c(OC)c1 ZINC000052583173 568770897 /nfs/dbraw/zinc/77/08/97/568770897.db2.gz GBLAGLIGDLTNGQ-SFHVURJKSA-N 1 2 401.507 3.443 50 0 HGAALO Cc1cc(NC(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)no1 ZINC000002620823 568787598 /nfs/dbraw/zinc/78/75/98/568787598.db2.gz XBULRTYASXPCQP-GFCCVEGCSA-N 1 2 404.471 3.056 50 0 HGAALO CC(C)(C)c1ccc(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000056966019 568822391 /nfs/dbraw/zinc/82/23/91/568822391.db2.gz XSRHNXQIMKOHKK-UHFFFAOYSA-N 1 2 401.576 3.085 50 0 HGAALO COC(=O)C1=C(C[N@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000057415914 568834108 /nfs/dbraw/zinc/83/41/08/568834108.db2.gz XATOQHAASDITIP-FQEVSTJZSA-N 1 2 409.511 3.318 50 0 HGAALO COC(=O)C1=C(C[N@@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000057415914 568834110 /nfs/dbraw/zinc/83/41/10/568834110.db2.gz XATOQHAASDITIP-FQEVSTJZSA-N 1 2 409.511 3.318 50 0 HGAALO O=C(Nc1ccc(Cl)cc1F)[C@@H](Cc1c[nH+]c[nH]1)N1C(=O)c2ccccc2C1=O ZINC000012537809 568846143 /nfs/dbraw/zinc/84/61/43/568846143.db2.gz FYZWPXZITBNRCS-QGZVFWFLSA-N 1 2 412.808 3.048 50 0 HGAALO CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000057884493 568865671 /nfs/dbraw/zinc/86/56/71/568865671.db2.gz VZFIUCMPMWTBRF-UHFFFAOYSA-N 1 2 405.445 3.447 50 0 HGAALO Cn1cc[nH+]c1[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000012741442 568929262 /nfs/dbraw/zinc/92/92/62/568929262.db2.gz PFVBTPFZHPOHMC-HSZRJFAPSA-N 1 2 419.481 3.450 50 0 HGAALO COc1ccccc1C[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000012749287 568936686 /nfs/dbraw/zinc/93/66/86/568936686.db2.gz ZWCGPYIWTPUYTI-SFHVURJKSA-N 1 2 421.419 3.433 50 0 HGAALO COc1ccccc1C[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000012749287 568936689 /nfs/dbraw/zinc/93/66/89/568936689.db2.gz ZWCGPYIWTPUYTI-SFHVURJKSA-N 1 2 421.419 3.433 50 0 HGAALO O=C(C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000084525735 568950500 /nfs/dbraw/zinc/95/05/00/568950500.db2.gz WQGSTLTWKLCPCY-VWLOTQADSA-N 1 2 416.525 3.368 50 0 HGAALO O=C(C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000084525735 568950501 /nfs/dbraw/zinc/95/05/01/568950501.db2.gz WQGSTLTWKLCPCY-VWLOTQADSA-N 1 2 416.525 3.368 50 0 HGAALO CCC(CC)[C@H](CCNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1)OC ZINC000084727349 568957255 /nfs/dbraw/zinc/95/72/55/568957255.db2.gz KMOYUNQPZJPPAJ-FQEVSTJZSA-N 1 2 419.547 3.454 50 0 HGAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)[nH]n2)cc1C ZINC000015679345 568966285 /nfs/dbraw/zinc/96/62/85/568966285.db2.gz UQOWCKGTMDRKRH-UHFFFAOYSA-N 1 2 418.497 3.380 50 0 HGAALO CC(=O)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020419311 569007973 /nfs/dbraw/zinc/00/79/73/569007973.db2.gz DWTDGCXSUCRGEH-LJQANCHMSA-N 1 2 422.447 3.470 50 0 HGAALO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020419159 569007981 /nfs/dbraw/zinc/00/79/81/569007981.db2.gz KLDUICCEZSJTCY-NRFANRHFSA-N 1 2 416.949 3.490 50 0 HGAALO CCC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020419159 569007982 /nfs/dbraw/zinc/00/79/82/569007982.db2.gz KLDUICCEZSJTCY-NRFANRHFSA-N 1 2 416.949 3.490 50 0 HGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(NC(C)=O)cc2)C[C@H]1CCO ZINC000104638465 569008051 /nfs/dbraw/zinc/00/80/51/569008051.db2.gz STDBWQHNQMVCPY-HSZRJFAPSA-N 1 2 411.546 3.113 50 0 HGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(NC(C)=O)cc2)C[C@H]1CCO ZINC000104638465 569008052 /nfs/dbraw/zinc/00/80/52/569008052.db2.gz STDBWQHNQMVCPY-HSZRJFAPSA-N 1 2 411.546 3.113 50 0 HGAALO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(F)c(OC)c2)C[C@H]1CCO ZINC000104349762 569008356 /nfs/dbraw/zinc/00/83/56/569008356.db2.gz ZKJBHULOYRHTNN-HXUWFJFHSA-N 1 2 402.510 3.302 50 0 HGAALO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(F)c(OC)c2)C[C@H]1CCO ZINC000104349762 569008357 /nfs/dbraw/zinc/00/83/57/569008357.db2.gz ZKJBHULOYRHTNN-HXUWFJFHSA-N 1 2 402.510 3.302 50 0 HGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@H]1CCO ZINC000104508750 569008960 /nfs/dbraw/zinc/00/89/60/569008960.db2.gz BVFBHTWIIPUHAN-XMMPIXPASA-N 1 2 420.557 3.340 50 0 HGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@H]1CCO ZINC000104508750 569008961 /nfs/dbraw/zinc/00/89/61/569008961.db2.gz BVFBHTWIIPUHAN-XMMPIXPASA-N 1 2 420.557 3.340 50 0 HGAALO CC(C)c1[nH]c2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2[nH+]1 ZINC000085877206 569009673 /nfs/dbraw/zinc/00/96/73/569009673.db2.gz GZFUKQONLJHXCW-BQFCYCMXSA-N 1 2 401.536 3.351 50 0 biogenic HGAALO Cc1cc(-c2cc(C(=O)NCC(C)(C)[NH+]3CCOCC3)c3c(C)noc3n2)c(C)o1 ZINC000012875875 569013565 /nfs/dbraw/zinc/01/35/65/569013565.db2.gz IGRQKYXLUSZBTC-UHFFFAOYSA-N 1 2 412.490 3.249 50 0 HGAALO O=C(NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000015882586 569019075 /nfs/dbraw/zinc/01/90/75/569019075.db2.gz ZZKKZMUGHFLGFS-QFIPXVFZSA-N 1 2 418.472 3.075 50 0 HGAALO O=C(NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000015882586 569019076 /nfs/dbraw/zinc/01/90/76/569019076.db2.gz ZZKKZMUGHFLGFS-QFIPXVFZSA-N 1 2 418.472 3.075 50 0 HGAALO Cc1ccccc1NC(=O)C(=O)NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000015882595 569019086 /nfs/dbraw/zinc/01/90/86/569019086.db2.gz ZOXHHCDHODNSKB-HSZRJFAPSA-N 1 2 414.509 3.244 50 0 HGAALO Cc1ccccc1NC(=O)C(=O)NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000015882595 569019087 /nfs/dbraw/zinc/01/90/87/569019087.db2.gz ZOXHHCDHODNSKB-HSZRJFAPSA-N 1 2 414.509 3.244 50 0 HGAALO O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575621546 569038940 /nfs/dbraw/zinc/03/89/40/569038940.db2.gz YJLUJJJKJQZZSL-UHFFFAOYSA-N 1 2 415.453 3.342 50 0 HGAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000229495511 569040482 /nfs/dbraw/zinc/04/04/82/569040482.db2.gz DUUUXLBPBDAPAZ-RBUKOAKNSA-N 1 2 404.518 3.486 50 0 HGAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000229495511 569040483 /nfs/dbraw/zinc/04/04/83/569040483.db2.gz DUUUXLBPBDAPAZ-RBUKOAKNSA-N 1 2 404.518 3.486 50 0 HGAALO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000229513359 569040517 /nfs/dbraw/zinc/04/05/17/569040517.db2.gz DNQXLQNQLCXTLJ-PZJWPPBQSA-N 1 2 404.894 3.112 50 0 HGAALO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000229513359 569040518 /nfs/dbraw/zinc/04/05/18/569040518.db2.gz DNQXLQNQLCXTLJ-PZJWPPBQSA-N 1 2 404.894 3.112 50 0 HGAALO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@H](C(=O)c3ccccc3)[C@H]2C1=O ZINC000245325236 569055843 /nfs/dbraw/zinc/05/58/43/569055843.db2.gz DGCKMEPKTUBWJY-KNTRFNDTSA-N 1 2 424.884 3.184 50 0 HGAALO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@H](C(=O)c3ccccc3)[C@H]2C1=O ZINC000245325236 569055844 /nfs/dbraw/zinc/05/58/44/569055844.db2.gz DGCKMEPKTUBWJY-KNTRFNDTSA-N 1 2 424.884 3.184 50 0 HGAALO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247962990 569057564 /nfs/dbraw/zinc/05/75/64/569057564.db2.gz YJWRXRFXIWIHSC-BDXSIMOUSA-N 1 2 413.260 3.475 50 0 HGAALO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247962990 569057565 /nfs/dbraw/zinc/05/75/65/569057565.db2.gz YJWRXRFXIWIHSC-BDXSIMOUSA-N 1 2 413.260 3.475 50 0 HGAALO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000247962991 569057636 /nfs/dbraw/zinc/05/76/36/569057636.db2.gz YJWRXRFXIWIHSC-TVFCKZIOSA-N 1 2 413.260 3.475 50 0 HGAALO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000247962991 569057637 /nfs/dbraw/zinc/05/76/37/569057637.db2.gz YJWRXRFXIWIHSC-TVFCKZIOSA-N 1 2 413.260 3.475 50 0 HGAALO CCc1ccc(CN2CCc3c(C(=O)NC[C@H](C)n4cc[nH+]c4)csc3C2)nc1 ZINC000426580899 569073511 /nfs/dbraw/zinc/07/35/11/569073511.db2.gz BWMOGVQDWNYXJQ-INIZCTEOSA-N 1 2 409.559 3.451 50 0 HGAALO CC(C)CN1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1ccccc1F)CC2 ZINC000036014045 569076372 /nfs/dbraw/zinc/07/63/72/569076372.db2.gz WHKVSNXQOOQDPK-JOCHJYFZSA-N 1 2 423.532 3.457 50 0 HGAALO CC[C@@H](C)N1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1ccccc1)CC2 ZINC000036026463 569079559 /nfs/dbraw/zinc/07/95/59/569079559.db2.gz RIEWZACFZYJPCG-KNQAVFIVSA-N 1 2 405.542 3.461 50 0 HGAALO O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NCC[NH+]1CCOCC1 ZINC000064816527 569100620 /nfs/dbraw/zinc/10/06/20/569100620.db2.gz LTCZZDHEQYGLPM-UHFFFAOYSA-N 1 2 403.935 3.472 50 0 HGAALO O=C(NCc1ccccc1F)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000036255414 569120259 /nfs/dbraw/zinc/12/02/59/569120259.db2.gz UMUJFZXNDFNHHI-OAQYLSRUSA-N 1 2 413.493 3.052 50 0 HGAALO CC[C@H](C)C(=O)N1CC[NH+]([C@H](C(=O)Nc2ccc3c(c2)OCO3)C2CCCC2)CC1 ZINC000036311957 569132652 /nfs/dbraw/zinc/13/26/52/569132652.db2.gz YVNWOQHMMOONBI-KKSFZXQISA-N 1 2 415.534 3.103 50 0 HGAALO Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CC[N@@H+](CC(=O)NCc1ccc(F)cc1)C3 ZINC000065034825 569158183 /nfs/dbraw/zinc/15/81/83/569158183.db2.gz NZACIRUCWJZOCH-UHFFFAOYSA-N 1 2 413.880 3.304 50 0 HGAALO Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CC[N@H+](CC(=O)NCc1ccc(F)cc1)C3 ZINC000065034825 569158185 /nfs/dbraw/zinc/15/81/85/569158185.db2.gz NZACIRUCWJZOCH-UHFFFAOYSA-N 1 2 413.880 3.304 50 0 HGAALO O=C(c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000169759594 569161297 /nfs/dbraw/zinc/16/12/97/569161297.db2.gz SMUKFOJWOYAHMS-HXUWFJFHSA-N 1 2 423.904 3.165 50 0 HGAALO CCc1nc(-c2cccnc2SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000065211351 569196360 /nfs/dbraw/zinc/19/63/60/569196360.db2.gz YHUDOPADKSGMRX-UHFFFAOYSA-N 1 2 423.542 3.131 50 0 HGAALO O=C(c1cnccn1)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]Cc1ccccc1 ZINC000065259914 569210964 /nfs/dbraw/zinc/21/09/64/569210964.db2.gz JHEGJTVBDGNLAO-XMMPIXPASA-N 1 2 412.497 3.397 50 0 HGAALO O=S(=O)(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccc2c(c1)CCCC2 ZINC000036700278 569222639 /nfs/dbraw/zinc/22/26/39/569222639.db2.gz GSNSRHODZAYKDH-QHCPKHFHSA-N 1 2 414.571 3.307 50 0 HGAALO O=S(=O)(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccc2c(c1)CCCC2 ZINC000036700278 569222640 /nfs/dbraw/zinc/22/26/40/569222640.db2.gz GSNSRHODZAYKDH-QHCPKHFHSA-N 1 2 414.571 3.307 50 0 HGAALO Cc1ccc(Cl)cc1S(=O)(=O)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700321 569222830 /nfs/dbraw/zinc/22/28/30/569222830.db2.gz FYQVBNMEVAJXEG-IBGZPJMESA-N 1 2 408.951 3.390 50 0 HGAALO Cc1ccc(Cl)cc1S(=O)(=O)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700321 569222831 /nfs/dbraw/zinc/22/28/31/569222831.db2.gz FYQVBNMEVAJXEG-IBGZPJMESA-N 1 2 408.951 3.390 50 0 HGAALO C[C@@]1(n2cc(CNc3[nH+]c4ccccc4n3-c3ccccc3)cn2)CCS(=O)(=O)C1 ZINC000170607174 569244588 /nfs/dbraw/zinc/24/45/88/569244588.db2.gz LWPGLWPWNTYGSX-JOCHJYFZSA-N 1 2 421.526 3.368 50 0 HGAALO CC(C)c1[nH+]c2cc(NC(=O)C[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)ccc2n1C ZINC000170625537 569250092 /nfs/dbraw/zinc/25/00/92/569250092.db2.gz IDAOHJYRZPVHLA-SFHVURJKSA-N 1 2 419.485 3.146 50 0 HGAALO CC1CC[NH+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)CC1 ZINC000014527416 569260424 /nfs/dbraw/zinc/26/04/24/569260424.db2.gz MWNMFNXCCCLGBJ-UHFFFAOYSA-N 1 2 406.939 3.397 50 0 HGAALO O=C(NCCCn1cc[nH+]c1)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000002873802 569278283 /nfs/dbraw/zinc/27/82/83/569278283.db2.gz MLGGDLMKPQMNTJ-UHFFFAOYSA-N 1 2 414.391 3.432 50 0 HGAALO Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCN(c4ccc(F)cc4)CC3)[nH]n2)cc1 ZINC000027614230 569376256 /nfs/dbraw/zinc/37/62/56/569376256.db2.gz DEGWKQLFRGBIHX-UHFFFAOYSA-N 1 2 407.493 3.076 50 0 HGAALO O=C([C@@H]1COc2ccccc2O1)N1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000013069917 569408507 /nfs/dbraw/zinc/40/85/07/569408507.db2.gz SQZKZDCMSVQOSA-FQEVSTJZSA-N 1 2 418.946 3.416 50 0 HGAALO O=C1C[C@H](N2CC[NH+](C/C=C\c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000019363697 569420461 /nfs/dbraw/zinc/42/04/61/569420461.db2.gz GUNCKHOONUGCTA-PAKAJVGYSA-N 1 2 409.917 3.303 50 0 HGAALO COc1ccc(C(=O)OC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)OC(C)(C)C)c(OC)c1OC ZINC000079046525 569425181 /nfs/dbraw/zinc/42/51/81/569425181.db2.gz KNULHXRVYDYISX-LSDHHAIUSA-N 1 2 423.506 3.064 50 0 HGAALO COc1ccc(C(=O)OC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)OC(C)(C)C)c(OC)c1OC ZINC000079046525 569425182 /nfs/dbraw/zinc/42/51/82/569425182.db2.gz KNULHXRVYDYISX-LSDHHAIUSA-N 1 2 423.506 3.064 50 0 HGAALO COc1c(C)c(C)c(OC)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000019626793 569426061 /nfs/dbraw/zinc/42/60/61/569426061.db2.gz HESUDJQWJUCMJJ-UHFFFAOYSA-N 1 2 418.559 3.136 50 0 HGAALO Cc1c(OCC(=O)NCCc2c[nH+]c[nH]2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000008765368 571115346 /nfs/dbraw/zinc/11/53/46/571115346.db2.gz BVTHSJHTTLUREC-UHFFFAOYSA-N 1 2 403.438 3.229 50 0 biogenic HGAALO Cc1c(OCC(=O)NCCc2c[nH]c[nH+]2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000008765368 571115348 /nfs/dbraw/zinc/11/53/48/571115348.db2.gz BVTHSJHTTLUREC-UHFFFAOYSA-N 1 2 403.438 3.229 50 0 biogenic HGAALO CCc1ccccc1N1C[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1=O ZINC000040023573 571139687 /nfs/dbraw/zinc/13/96/87/571139687.db2.gz QSYNQPIPKOXPKZ-NRFANRHFSA-N 1 2 402.498 3.163 50 0 HGAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000040122101 571178294 /nfs/dbraw/zinc/17/82/94/571178294.db2.gz REOVGXWYRGXTHR-LJQANCHMSA-N 1 2 410.518 3.224 50 0 HGAALO C[C@@H](Oc1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cn1)c1ccccc1 ZINC000040132331 571184588 /nfs/dbraw/zinc/18/45/88/571184588.db2.gz NHHHMUJBIUYTII-GOSISDBHSA-N 1 2 418.497 3.383 50 0 HGAALO Cn1c2ccccc2n(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2C(F)(F)F)c1=O ZINC000040134813 571187776 /nfs/dbraw/zinc/18/77/76/571187776.db2.gz FNXJDDLUNMSPDS-UHFFFAOYSA-N 1 2 415.375 3.183 50 0 HGAALO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000040153713 571201129 /nfs/dbraw/zinc/20/11/29/571201129.db2.gz DNQXLQNQLCXTLJ-CTNGQTDRSA-N 1 2 404.894 3.112 50 0 HGAALO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000040153713 571201130 /nfs/dbraw/zinc/20/11/30/571201130.db2.gz DNQXLQNQLCXTLJ-CTNGQTDRSA-N 1 2 404.894 3.112 50 0 HGAALO O=C(NCc1nnc2ccc(-c3cccs3)nn21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000244942663 571210703 /nfs/dbraw/zinc/21/07/03/571210703.db2.gz CTXAWVVWJBTLAN-UHFFFAOYSA-N 1 2 415.482 3.028 50 0 HGAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000069419519 571227970 /nfs/dbraw/zinc/22/79/70/571227970.db2.gz YJAKXHITOVYFDM-LJQANCHMSA-N 1 2 412.965 3.105 50 0 HGAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000069419521 571228056 /nfs/dbraw/zinc/22/80/56/571228056.db2.gz YJAKXHITOVYFDM-IBGZPJMESA-N 1 2 412.965 3.105 50 0 HGAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)CC1 ZINC000009265478 571244038 /nfs/dbraw/zinc/24/40/38/571244038.db2.gz FAVVPCZXAUTHHO-UHFFFAOYSA-N 1 2 407.470 3.228 50 0 HGAALO COC(=O)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000009318914 571247795 /nfs/dbraw/zinc/24/77/95/571247795.db2.gz PDVZMFWDRGMHIE-UHFFFAOYSA-N 1 2 419.466 3.333 50 0 HGAALO C[C@@H](c1nnc(SCc2nnnn2-c2ccccc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000009338725 571249635 /nfs/dbraw/zinc/24/96/35/571249635.db2.gz KTMRQQQPJICBEX-AWEZNQCLSA-N 1 2 424.509 3.297 50 0 HGAALO O=C(C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1)Nc1ccnn1C1CCCC1 ZINC000069925635 571249927 /nfs/dbraw/zinc/24/99/27/571249927.db2.gz LINHBBHAYBPFGI-UHFFFAOYSA-N 1 2 421.505 3.261 50 0 HGAALO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccccc3)N(CCc3ccc(F)cc3)[C@H]2C1 ZINC000009484783 571262278 /nfs/dbraw/zinc/26/22/78/571262278.db2.gz UEJMLSQGFYAHNE-OALUTQOASA-N 1 2 404.532 3.139 50 0 HGAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(C(=O)c3ccc(F)cc3)CC2)N(Cc2ccco2)C1=O ZINC000036027720 571317196 /nfs/dbraw/zinc/31/71/96/571317196.db2.gz PGNRGTFRPUGHDS-UZLBHIALSA-N 1 2 413.493 3.398 50 0 HGAALO O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000821632 132233769 /nfs/dbraw/zinc/23/37/69/132233769.db2.gz GJMDSDQHUSUMSZ-GOSISDBHSA-N 1 2 404.297 3.448 50 0 HGAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000001441518 132246199 /nfs/dbraw/zinc/24/61/99/132246199.db2.gz BBNDQBPNNUNRIG-GOSISDBHSA-N 1 2 405.832 3.072 50 0 HGAALO COc1cccc(N2CCN(c3[nH+]cnc4c3cnn4-c3cccc(C)c3)CC2)c1 ZINC000002374104 132253672 /nfs/dbraw/zinc/25/36/72/132253672.db2.gz AQEBSKZOBILSJK-UHFFFAOYSA-N 1 2 400.486 3.459 50 0 HGAALO Cc1ccc2c(c1)-c1c(c(C(=O)N3CCN(c4cccc[nH+]4)CC3)nn1C)CS2 ZINC000009527788 132340620 /nfs/dbraw/zinc/34/06/20/132340620.db2.gz ZKRVCPCQPQIJDC-UHFFFAOYSA-N 1 2 405.527 3.359 50 0 HGAALO Cc1ccc([S@](=O)Cc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)o2)cc1 ZINC000009731344 132343155 /nfs/dbraw/zinc/34/31/55/132343155.db2.gz SDSOPRHBERBXKL-LJAQVGFWSA-N 1 2 409.511 3.253 50 0 HGAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(F)c(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012855962 132367885 /nfs/dbraw/zinc/36/78/85/132367885.db2.gz LDRJBAKPXUAVEE-OAHLLOKOSA-N 1 2 403.477 3.336 50 0 HGAALO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cn(Cc4ccccc4)nn3)CC2)cc1 ZINC000032900264 519835999 /nfs/dbraw/zinc/83/59/99/519835999.db2.gz JGAFPAVIJRTZPX-UHFFFAOYSA-N 1 2 403.530 3.408 50 0 HGAALO CCOc1ccc(CN2CC[N@H+](Cc3cccn3-c3cccnc3)C[C@H]2CCO)cc1 ZINC000036385767 520976280 /nfs/dbraw/zinc/97/62/80/520976280.db2.gz YGAXOMXVAAPJNR-HSZRJFAPSA-N 1 2 420.557 3.340 50 0 HGAALO CCOc1ccc(CN2CC[N@@H+](Cc3cccn3-c3cccnc3)C[C@H]2CCO)cc1 ZINC000036385767 520976287 /nfs/dbraw/zinc/97/62/87/520976287.db2.gz YGAXOMXVAAPJNR-HSZRJFAPSA-N 1 2 420.557 3.340 50 0 HGAALO CC[N@@H+](Cc1nc(N)nc(Nc2ccccc2C)n1)C[C@@H]1COc2ccccc2O1 ZINC000032654932 521450861 /nfs/dbraw/zinc/45/08/61/521450861.db2.gz XDMVENUCEQJHAS-MRXNPFEDSA-N 1 2 406.490 3.168 50 0 HGAALO CC[N@H+](Cc1nc(N)nc(Nc2ccccc2C)n1)C[C@@H]1COc2ccccc2O1 ZINC000032654932 521450866 /nfs/dbraw/zinc/45/08/66/521450866.db2.gz XDMVENUCEQJHAS-MRXNPFEDSA-N 1 2 406.490 3.168 50 0 HGAALO COc1c2c(c(NC(=O)COc3ccc(Cl)cc3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123875 521884305 /nfs/dbraw/zinc/88/43/05/521884305.db2.gz KQIAQUSULCOHTD-UHFFFAOYSA-N 1 2 404.850 3.083 50 0 biogenic HGAALO COc1c2c(c(NC(=O)COc3ccc(Cl)cc3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123875 521884316 /nfs/dbraw/zinc/88/43/16/521884316.db2.gz KQIAQUSULCOHTD-UHFFFAOYSA-N 1 2 404.850 3.083 50 0 biogenic HGAALO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019908877 522175951 /nfs/dbraw/zinc/17/59/51/522175951.db2.gz LTJBRRKNENDYBG-FQEVSTJZSA-N 1 2 418.921 3.113 50 0 HGAALO CCc1[nH+]c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc(N)c1-c1ccc(Cl)cc1 ZINC000032905965 522408747 /nfs/dbraw/zinc/40/87/47/522408747.db2.gz UPXABHCCYDIWFQ-CQSZACIVSA-N 1 2 407.927 3.253 50 0 HGAALO C[N@H+](CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000032512306 522428360 /nfs/dbraw/zinc/42/83/60/522428360.db2.gz CKOCVRFKNNNDOY-IFMALSPDSA-N 1 2 418.603 3.344 50 0 HGAALO C[N@@H+](CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000032512306 522428365 /nfs/dbraw/zinc/42/83/65/522428365.db2.gz CKOCVRFKNNNDOY-IFMALSPDSA-N 1 2 418.603 3.344 50 0 HGAALO COc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000019815010 524559017 /nfs/dbraw/zinc/55/90/17/524559017.db2.gz CFWHHNYGFMHBIP-OAQYLSRUSA-N 1 2 407.514 3.273 50 0 HGAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3cc(-c4ccc(C)cc4)n[nH]3)CC2)cc1 ZINC000032879584 524955483 /nfs/dbraw/zinc/95/54/83/524955483.db2.gz KWDKDFNIHXMLHS-UHFFFAOYSA-N 1 2 420.513 3.231 50 0 HGAALO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000044834469 525313839 /nfs/dbraw/zinc/31/38/39/525313839.db2.gz XWLCJSZOYFILMZ-OAQYLSRUSA-N 1 2 404.510 3.346 50 0 HGAALO O=C(CCN1CCSC1=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000032784596 526492053 /nfs/dbraw/zinc/49/20/53/526492053.db2.gz WRLHYXLKAQTEOJ-UHFFFAOYSA-N 1 2 402.545 3.199 50 0 HGAALO O=C(CCN1CCSC1=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000032784596 526492063 /nfs/dbraw/zinc/49/20/63/526492063.db2.gz WRLHYXLKAQTEOJ-UHFFFAOYSA-N 1 2 402.545 3.199 50 0 HGAALO O=C(CCNC(=O)c1ccccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000032962496 526506012 /nfs/dbraw/zinc/50/60/12/526506012.db2.gz NCTQFZFLBVGRNU-RMKNXTFCSA-N 1 2 411.933 3.318 50 0 HGAALO O=C(c1cc2ccc3cccnc3c2[nH]1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020575422 526637228 /nfs/dbraw/zinc/63/72/28/526637228.db2.gz UWSYFPDQFORLIC-UHFFFAOYSA-N 1 2 414.465 3.403 50 0 HGAALO O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000028317505 526679921 /nfs/dbraw/zinc/67/99/21/526679921.db2.gz PXMNCNMKAPTLIW-UHFFFAOYSA-N 1 2 403.935 3.486 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)cc1 ZINC000032902096 527452190 /nfs/dbraw/zinc/45/21/90/527452190.db2.gz IIDPHZNAYFEURE-NRFANRHFSA-N 1 2 424.888 3.243 50 0 HGAALO CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000097379641 557764331 /nfs/dbraw/zinc/76/43/31/557764331.db2.gz USXPQGKQZIINHB-LJAQVGFWSA-N 1 2 414.575 3.479 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[NH+]1CCC(C(=O)OC)CC1)S2 ZINC000022853633 557840171 /nfs/dbraw/zinc/84/01/71/557840171.db2.gz VDDIYJCDPZAMPZ-KRWDZBQOSA-N 1 2 414.531 3.342 50 0 HGAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1NC(=O)c1cccc2ccccc21 ZINC000019908698 558305943 /nfs/dbraw/zinc/30/59/43/558305943.db2.gz JAXVPUQMHKVTFS-UHFFFAOYSA-N 1 2 403.482 3.154 50 0 HGAALO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000019999750 558317894 /nfs/dbraw/zinc/31/78/94/558317894.db2.gz CASNFPCMRCCCCV-SFHVURJKSA-N 1 2 418.921 3.113 50 0 HGAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)Nc4ccccc4F)CC3)c2c1 ZINC000020213196 558347958 /nfs/dbraw/zinc/34/79/58/558347958.db2.gz UKQTXYMTFWILRU-UHFFFAOYSA-N 1 2 423.488 3.251 50 0 HGAALO COc1cccc(C[NH+]2CCN(C(=S)Nc3cc(OC)cc(OC)c3)CC2)c1 ZINC000020274234 558353376 /nfs/dbraw/zinc/35/33/76/558353376.db2.gz ILSHLQCSJLGBEB-UHFFFAOYSA-N 1 2 401.532 3.227 50 0 HGAALO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000012218136 558354590 /nfs/dbraw/zinc/35/45/90/558354590.db2.gz DBRDHNFCMWVUKZ-MRXNPFEDSA-N 1 2 412.515 3.129 50 0 HGAALO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[N@H+]1CCC[C@@H](O)C1 ZINC000012218136 558354593 /nfs/dbraw/zinc/35/45/93/558354593.db2.gz DBRDHNFCMWVUKZ-MRXNPFEDSA-N 1 2 412.515 3.129 50 0 HGAALO O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)N[C@H](CCn1cc[nH+]c1)c1ccccc1 ZINC000012219028 558354734 /nfs/dbraw/zinc/35/47/34/558354734.db2.gz QKSPGQPVDFBTOI-ZJSXRUAMSA-N 1 2 420.513 3.395 50 0 HGAALO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1)c1n[nH]c2ccccc21 ZINC000012299666 558369572 /nfs/dbraw/zinc/36/95/72/558369572.db2.gz ZWJVODOORMDZFY-HNNXBMFYSA-N 1 2 406.515 3.210 50 0 HGAALO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1)c1n[nH]c2ccccc21 ZINC000012299666 558369573 /nfs/dbraw/zinc/36/95/73/558369573.db2.gz ZWJVODOORMDZFY-HNNXBMFYSA-N 1 2 406.515 3.210 50 0 HGAALO O=C(c1nc2ccc(Cl)cn2c1C[N@H+]1CCC[C@@H](O)C1)N1CCCCCCC1 ZINC000012300155 558370047 /nfs/dbraw/zinc/37/00/47/558370047.db2.gz YCMFAQKCQGTNTA-QGZVFWFLSA-N 1 2 404.942 3.351 50 0 HGAALO O=C(c1nc2ccc(Cl)cn2c1C[N@@H+]1CCC[C@@H](O)C1)N1CCCCCCC1 ZINC000012300155 558370049 /nfs/dbraw/zinc/37/00/49/558370049.db2.gz YCMFAQKCQGTNTA-QGZVFWFLSA-N 1 2 404.942 3.351 50 0 HGAALO CSc1nc2sc3c(c2c(N(C)CC[NH+]2CCOCC2)n1)CC(C)(C)OC3 ZINC000020462396 558373571 /nfs/dbraw/zinc/37/35/71/558373571.db2.gz VTNYOROKHZDYLG-UHFFFAOYSA-N 1 2 408.593 3.033 50 0 HGAALO CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)C[N@H+](C)Cc2cccnc2)C1 ZINC000012318936 558381638 /nfs/dbraw/zinc/38/16/38/558381638.db2.gz FIJSOBFONKTDQG-RUZDIDTESA-N 1 2 423.557 3.236 50 0 HGAALO CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)C[N@@H+](C)Cc2cccnc2)C1 ZINC000012318936 558381642 /nfs/dbraw/zinc/38/16/42/558381642.db2.gz FIJSOBFONKTDQG-RUZDIDTESA-N 1 2 423.557 3.236 50 0 HGAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2C2CC2)CC1 ZINC000021128443 558431626 /nfs/dbraw/zinc/43/16/26/558431626.db2.gz JZAGLRSXIXVIIB-CQSZACIVSA-N 1 2 403.527 3.064 50 0 HGAALO CC1CC[NH+](Cc2nnnn2CCCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000012587670 558434680 /nfs/dbraw/zinc/43/46/80/558434680.db2.gz WYEKNIYLIXTXOK-HXUWFJFHSA-N 1 2 414.529 3.188 50 0 HGAALO O=C(C[NH+]1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1)N1CCCC1 ZINC000021790851 558448974 /nfs/dbraw/zinc/44/89/74/558448974.db2.gz ZSRHFIKBOHOTBZ-UHFFFAOYSA-N 1 2 407.543 3.103 50 0 HGAALO C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022018327 558458165 /nfs/dbraw/zinc/45/81/65/558458165.db2.gz AIFAPHFEKNXRGS-MRXNPFEDSA-N 1 2 411.575 3.315 50 0 HGAALO O=C(CCNC(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012799468 558471255 /nfs/dbraw/zinc/47/12/55/558471255.db2.gz WGSQXXFLNXSYDG-UHFFFAOYSA-N 1 2 420.340 3.458 50 0 HGAALO O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)Nc1cc(Cl)ccc1F ZINC000012803056 558472593 /nfs/dbraw/zinc/47/25/93/558472593.db2.gz LZEHMEXEOJRUSS-UHFFFAOYSA-N 1 2 403.885 3.446 50 0 HGAALO C[C@H](Sc1nncn1-c1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022298086 558477263 /nfs/dbraw/zinc/47/72/63/558477263.db2.gz COWAFPOLDGJISA-SFHVURJKSA-N 1 2 407.543 3.092 50 0 HGAALO C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccc(-c3ccc(Br)cc3)o2)CCO1 ZINC000010858466 558505913 /nfs/dbraw/zinc/50/59/13/558505913.db2.gz QJHGNCPXDUYJGS-AWEZNQCLSA-N 1 2 407.308 3.388 50 0 HGAALO C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccc(-c3ccc(Br)cc3)o2)CCO1 ZINC000010858466 558505915 /nfs/dbraw/zinc/50/59/15/558505915.db2.gz QJHGNCPXDUYJGS-AWEZNQCLSA-N 1 2 407.308 3.388 50 0 HGAALO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000022767279 558508762 /nfs/dbraw/zinc/50/87/62/558508762.db2.gz PYFQRYSGFXKWHF-RDJZCZTQSA-N 1 2 406.935 3.142 50 0 HGAALO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)cc1F ZINC000022787037 558511276 /nfs/dbraw/zinc/51/12/76/558511276.db2.gz RSPKLBBPOPITMN-KRWDZBQOSA-N 1 2 417.500 3.138 50 0 HGAALO O=c1oc2ccccc2n1CN1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000022913291 558520284 /nfs/dbraw/zinc/52/02/84/558520284.db2.gz ZHPCYRRHRXEEKU-UHFFFAOYSA-N 1 2 406.511 3.493 50 0 HGAALO CC(C)c1ccc(NC(=O)[C@H](C)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 ZINC000022915570 558521469 /nfs/dbraw/zinc/52/14/69/558521469.db2.gz MJOASNAIZXLQFX-FQEVSTJZSA-N 1 2 414.594 3.157 50 0 HGAALO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(Cn2ncc3ccccc3c2=O)CC1 ZINC000022932657 558525024 /nfs/dbraw/zinc/52/50/24/558525024.db2.gz HRLCDRPSNCPISK-INIZCTEOSA-N 1 2 405.527 3.343 50 0 HGAALO O=C(C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1)N1CCc2ccccc2C1 ZINC000023333152 558549578 /nfs/dbraw/zinc/54/95/78/558549578.db2.gz YXFHYGFTBCINNR-UHFFFAOYSA-N 1 2 401.913 3.182 50 0 HGAALO C[C@H](OC[C@@H](O)C[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000013683049 558567758 /nfs/dbraw/zinc/56/77/58/558567758.db2.gz KTOLXAREESXCQJ-YOEHRIQHSA-N 1 2 401.894 3.147 50 0 HGAALO C[C@H](OC[C@@H](O)C[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000013683049 558567760 /nfs/dbraw/zinc/56/77/60/558567760.db2.gz KTOLXAREESXCQJ-YOEHRIQHSA-N 1 2 401.894 3.147 50 0 HGAALO O=C(Nc1ccccc1)N1CCC(C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000023731736 558571413 /nfs/dbraw/zinc/57/14/13/558571413.db2.gz JCBBFSARVXBENP-UHFFFAOYSA-N 1 2 412.559 3.336 50 0 HGAALO COc1cc(C)c(C[NH+]2CCN(C(=O)CCOc3ccccc3C)CC2)cc1OC ZINC000023731960 558571630 /nfs/dbraw/zinc/57/16/30/558571630.db2.gz NWTIPOIYKLHCBA-UHFFFAOYSA-N 1 2 412.530 3.434 50 0 HGAALO COc1ccc(CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3N2CCc2ccccc2)cc1 ZINC000013692141 558573815 /nfs/dbraw/zinc/57/38/15/558573815.db2.gz FKHKGDFJKYSBFG-UXHICEINSA-N 1 2 416.568 3.008 50 0 HGAALO COc1cc(OC)cc([C@H](NC(=O)c2ccc3c(c2)OCCCO3)c2[nH+]ccn2C)c1 ZINC000024023130 558584882 /nfs/dbraw/zinc/58/48/82/558584882.db2.gz VJNGVUIJERPLLX-NRFANRHFSA-N 1 2 423.469 3.118 50 0 HGAALO COc1cc(OC)cc([C@@H](NC(=O)Cc2noc3ccccc23)c2[nH+]ccn2C)c1 ZINC000024023709 558584887 /nfs/dbraw/zinc/58/48/87/558584887.db2.gz XKZRZZVWSWIUBD-OAQYLSRUSA-N 1 2 406.442 3.027 50 0 HGAALO COc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc(Cl)c1OC ZINC000024084392 558588114 /nfs/dbraw/zinc/58/81/14/558588114.db2.gz ZLSLTWXPMAPVRU-UHFFFAOYSA-N 1 2 416.905 3.250 50 0 HGAALO Cc1cc(NC(=O)[C@@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)no1 ZINC000024208038 558592190 /nfs/dbraw/zinc/59/21/90/558592190.db2.gz MCVGKSCQZZKDQF-YWZLYKJASA-N 1 2 413.499 3.417 50 0 HGAALO CC[C@H](c1nnc(S[C@H](C)C(=O)N2CCCC2)n1Cc1ccccc1)[NH+](C)C ZINC000004494510 558610204 /nfs/dbraw/zinc/61/02/04/558610204.db2.gz OXQFZWUCANOXEM-SJLPKXTDSA-N 1 2 401.580 3.442 50 0 HGAALO O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000024858985 558617635 /nfs/dbraw/zinc/61/76/35/558617635.db2.gz HRPMYSOGPYYKJO-UHFFFAOYSA-N 1 2 402.414 3.434 50 0 HGAALO CCN(CC)C(=O)C[N@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000014118643 558621827 /nfs/dbraw/zinc/62/18/27/558621827.db2.gz FNNCLNRKLDGOIM-JOCHJYFZSA-N 1 2 401.938 3.346 50 0 HGAALO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000014118643 558621830 /nfs/dbraw/zinc/62/18/30/558621830.db2.gz FNNCLNRKLDGOIM-JOCHJYFZSA-N 1 2 401.938 3.346 50 0 HGAALO FC(F)(F)c1ccc(N2CCCCC2)c(NC(=S)NCC[NH+]2CCOCC2)c1 ZINC000025515825 558642443 /nfs/dbraw/zinc/64/24/43/558642443.db2.gz IDLSCHPFWFXOCU-UHFFFAOYSA-N 1 2 416.513 3.314 50 0 HGAALO O=C(c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000025637980 558646439 /nfs/dbraw/zinc/64/64/39/558646439.db2.gz XRGLQYPLCJOBNM-UHFFFAOYSA-N 1 2 424.932 3.002 50 0 HGAALO Cc1cc(=O)c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)nn1-c1ccc(Cl)cc1 ZINC000025813069 558650798 /nfs/dbraw/zinc/65/07/98/558650798.db2.gz RPUOOLNRDFGYOU-KRWDZBQOSA-N 1 2 416.934 3.289 50 0 HGAALO C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000026844820 558665961 /nfs/dbraw/zinc/66/59/61/558665961.db2.gz XCTINLVMQHZTFK-KRWDZBQOSA-N 1 2 405.498 3.328 50 0 HGAALO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000026844820 558665963 /nfs/dbraw/zinc/66/59/63/558665963.db2.gz XCTINLVMQHZTFK-KRWDZBQOSA-N 1 2 405.498 3.328 50 0 HGAALO C[NH+](C)[C@@H](CNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1cccs1 ZINC000027678784 558680321 /nfs/dbraw/zinc/68/03/21/558680321.db2.gz SDYHRISJBFOKGU-KRWDZBQOSA-N 1 2 418.540 3.348 50 0 HGAALO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)CCOc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000029143154 558710789 /nfs/dbraw/zinc/71/07/89/558710789.db2.gz IBCHNNMANNFEPG-UHFFFAOYSA-N 1 2 419.865 3.165 50 0 HGAALO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)CCOc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000029143154 558710791 /nfs/dbraw/zinc/71/07/91/558710791.db2.gz IBCHNNMANNFEPG-UHFFFAOYSA-N 1 2 419.865 3.165 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)CCn3ccc4ccccc43)CC2)c1 ZINC000030107221 558726902 /nfs/dbraw/zinc/72/69/02/558726902.db2.gz GAIODBMBKITKNF-UHFFFAOYSA-N 1 2 407.514 3.393 50 0 HGAALO O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000030126142 558727180 /nfs/dbraw/zinc/72/71/80/558727180.db2.gz MOAWJNMSCUNWGM-UHFFFAOYSA-N 1 2 404.392 3.420 50 0 HGAALO CSc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2=O)cc1 ZINC000030217157 558728149 /nfs/dbraw/zinc/72/81/49/558728149.db2.gz GRAQHZAHVYPWBR-IBGZPJMESA-N 1 2 420.538 3.323 50 0 HGAALO COc1cccc(-c2noc(NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)n2)c1 ZINC000072301800 558751872 /nfs/dbraw/zinc/75/18/72/558751872.db2.gz DKBPKEOCKQGKDU-UHFFFAOYSA-N 1 2 407.474 3.260 50 0 HGAALO COCCN1C[NH+]=C2N[C@H](c3cc(Cl)ccc3F)n3c4ccccc4nc3N2C1 ZINC000031810501 558752663 /nfs/dbraw/zinc/75/26/63/558752663.db2.gz LVUMJAABAVPMEI-SFHVURJKSA-N 1 2 414.872 3.018 50 0 HGAALO C[NH+](C)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccccc2s1 ZINC000004585297 558775657 /nfs/dbraw/zinc/77/56/57/558775657.db2.gz UHXMQKYOTBYMJY-UHFFFAOYSA-N 1 2 417.556 3.055 50 0 HGAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3COc4ccccc4O3)c2C1 ZINC000032995898 558810433 /nfs/dbraw/zinc/81/04/33/558810433.db2.gz SCWNAISXONHZHO-MRXNPFEDSA-N 1 2 403.482 3.183 50 0 HGAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3COc4ccccc4O3)c2C1 ZINC000032995898 558810437 /nfs/dbraw/zinc/81/04/37/558810437.db2.gz SCWNAISXONHZHO-MRXNPFEDSA-N 1 2 403.482 3.183 50 0 HGAALO COCc1cc(CN2CC[N@H+](Cc3ccccc3F)[C@H](CCO)C2)ccc1OC ZINC000039532259 558822161 /nfs/dbraw/zinc/82/21/61/558822161.db2.gz KIWYGIGDEDXICE-OAQYLSRUSA-N 1 2 402.510 3.050 50 0 HGAALO COCc1cc(CN2CC[N@@H+](Cc3ccccc3F)[C@H](CCO)C2)ccc1OC ZINC000039532259 558822162 /nfs/dbraw/zinc/82/21/62/558822162.db2.gz KIWYGIGDEDXICE-OAQYLSRUSA-N 1 2 402.510 3.050 50 0 HGAALO COc1ccc(CN2CC[N@H+](Cc3cccc(C(C)=O)c3)C[C@H]2CCO)c(F)c1 ZINC000039533077 558822181 /nfs/dbraw/zinc/82/21/81/558822181.db2.gz WFTUTWHAHGNZOR-OAQYLSRUSA-N 1 2 400.494 3.106 50 0 HGAALO COc1ccc(CN2CC[N@@H+](Cc3cccc(C(C)=O)c3)C[C@H]2CCO)c(F)c1 ZINC000039533077 558822183 /nfs/dbraw/zinc/82/21/83/558822183.db2.gz WFTUTWHAHGNZOR-OAQYLSRUSA-N 1 2 400.494 3.106 50 0 HGAALO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 ZINC000039969409 558823141 /nfs/dbraw/zinc/82/31/41/558823141.db2.gz STCXQEJFWAJRSI-UHFFFAOYSA-N 1 2 421.950 3.227 50 0 HGAALO CN(C)c1ncc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)s1 ZINC000019229095 558853142 /nfs/dbraw/zinc/85/31/42/558853142.db2.gz ZAVMIISQYNFGPZ-KRWDZBQOSA-N 1 2 403.571 3.135 50 0 HGAALO CCOC(=O)Cc1cs/c(=N\c2ccc(Cl)cc2)n1CCC[NH+]1CCOCC1 ZINC000004614643 558858749 /nfs/dbraw/zinc/85/87/49/558858749.db2.gz LMSFYPCEZDHGKC-XDOYNYLZSA-N 1 2 423.966 3.263 50 0 HGAALO COc1cc(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc(OC)c1OC ZINC000033071822 558866719 /nfs/dbraw/zinc/86/67/19/558866719.db2.gz BDLMYBNADIMDHT-MRXNPFEDSA-N 1 2 424.501 3.122 50 0 HGAALO Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@]21NC(=N)NC(Nc2ccccc2)=[NH+]1 ZINC000019326868 558868045 /nfs/dbraw/zinc/86/80/45/558868045.db2.gz GJBCCQHRICACIC-PSLXWICFSA-N 1 2 402.502 3.166 50 0 HGAALO COc1ccc(-c2noc(C[N@@H+]3CCN(c4ccccc4)C[C@H]3C)n2)c(OC)c1OC ZINC000055036624 558870034 /nfs/dbraw/zinc/87/00/34/558870034.db2.gz AATLLWRRRFLICL-MRXNPFEDSA-N 1 2 424.501 3.473 50 0 HGAALO COc1ccc(-c2noc(C[N@H+]3CCN(c4ccccc4)C[C@H]3C)n2)c(OC)c1OC ZINC000055036624 558870038 /nfs/dbraw/zinc/87/00/38/558870038.db2.gz AATLLWRRRFLICL-MRXNPFEDSA-N 1 2 424.501 3.473 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000019361440 558876408 /nfs/dbraw/zinc/87/64/08/558876408.db2.gz IYHVYLZWLPTWRT-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO COc1ccc(OC)c(CN2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000019361440 558876409 /nfs/dbraw/zinc/87/64/09/558876409.db2.gz IYHVYLZWLPTWRT-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000058005862 558894584 /nfs/dbraw/zinc/89/45/84/558894584.db2.gz KIPGNOQWTLUJQX-FQEVSTJZSA-N 1 2 417.550 3.129 50 0 HGAALO O=C(NCc1ccc(N2CCCC[C@@H]2CCO)[nH+]c1)c1cc(-c2ccccc2)n[nH]1 ZINC000058061848 558897306 /nfs/dbraw/zinc/89/73/06/558897306.db2.gz RJYILECLYCLWDN-LJQANCHMSA-N 1 2 405.502 3.143 50 0 HGAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3nccc(OC)c3OC)C2)cc1OC ZINC000071524634 558904520 /nfs/dbraw/zinc/90/45/20/558904520.db2.gz UFFLXCNQBKFYGG-MRXNPFEDSA-N 1 2 400.475 3.211 50 0 HGAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nccc(OC)c3OC)C2)cc1OC ZINC000071524634 558904522 /nfs/dbraw/zinc/90/45/22/558904522.db2.gz UFFLXCNQBKFYGG-MRXNPFEDSA-N 1 2 400.475 3.211 50 0 HGAALO CCOc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000058162291 558906075 /nfs/dbraw/zinc/90/60/75/558906075.db2.gz KCGPBZHGTWNQKN-KRWDZBQOSA-N 1 2 410.518 3.193 50 0 HGAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000058369853 558922651 /nfs/dbraw/zinc/92/26/51/558922651.db2.gz KLCXFQDVIAJPLQ-LJQANCHMSA-N 1 2 419.447 3.467 50 0 HGAALO COc1cc(C(=O)N2CC[NH+](Cc3ccc(SC)cc3)CC2)cc(OC)c1OC ZINC000019608265 558946613 /nfs/dbraw/zinc/94/66/13/558946613.db2.gz UQFGHABOOJIKNQ-UHFFFAOYSA-N 1 2 416.543 3.392 50 0 HGAALO COCCNC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000065002382 558968813 /nfs/dbraw/zinc/96/88/13/558968813.db2.gz OMBGYYYYPNNMSP-UHFFFAOYSA-N 1 2 408.477 3.077 50 0 HGAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCNC(=O)[C@H]2C)cc1F ZINC000072422550 558978652 /nfs/dbraw/zinc/97/86/52/558978652.db2.gz KGKLJWZGKWLGLT-MRXNPFEDSA-N 1 2 408.477 3.316 50 0 HGAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCNC(=O)[C@H]2C)cc1F ZINC000072422550 558978654 /nfs/dbraw/zinc/97/86/54/558978654.db2.gz KGKLJWZGKWLGLT-MRXNPFEDSA-N 1 2 408.477 3.316 50 0 HGAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)[nH+]c(C)n2)n1 ZINC000067613471 558989131 /nfs/dbraw/zinc/98/91/31/558989131.db2.gz JEVQXWHMFUPETL-UHFFFAOYSA-N 1 2 404.518 3.167 50 0 HGAALO CN(Cc1c[nH+]c2ccccn12)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000067756765 558992465 /nfs/dbraw/zinc/99/24/65/558992465.db2.gz MQLLGNHVSNRAQW-QGZVFWFLSA-N 1 2 410.905 3.385 50 0 HGAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000023156874 559022689 /nfs/dbraw/zinc/02/26/89/559022689.db2.gz YWVXNCKNALHETG-MRXNPFEDSA-N 1 2 400.504 3.042 50 0 HGAALO C[C@H](CNC(=O)c1cnc(COc2ccc(C(C)(C)C)cc2)[nH]c1=O)n1cc[nH+]c1 ZINC000091519085 559072015 /nfs/dbraw/zinc/07/20/15/559072015.db2.gz SGCBTORUUPSKQC-OAHLLOKOSA-N 1 2 409.490 3.246 50 0 HGAALO CCOc1ccc(-c2cc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)no2)cc1 ZINC000095099722 559079296 /nfs/dbraw/zinc/07/92/96/559079296.db2.gz NOJPPWGGOJSQFG-UHFFFAOYSA-N 1 2 406.486 3.136 50 0 HGAALO O=C1C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000100033990 559129024 /nfs/dbraw/zinc/12/90/24/559129024.db2.gz ZKZKFZJHYWQMDG-FERLCFGISA-N 1 2 409.917 3.303 50 0 HGAALO O=C1C[C@H]([NH+]2CCN(c3ccccc3F)CC2)C(=O)N1c1cccc2ccccc21 ZINC000100118637 559130056 /nfs/dbraw/zinc/13/00/56/559130056.db2.gz UQZFLGUCNIKTIT-QFIPXVFZSA-N 1 2 403.457 3.433 50 0 HGAALO O[C@@H](COc1ccccc1)C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000014202080 559156710 /nfs/dbraw/zinc/15/67/10/559156710.db2.gz QBTSBPNCTALIGG-OAHLLOKOSA-N 1 2 415.843 3.316 50 0 HGAALO CCOc1ccccc1NC(=O)CN1CCN(c2[nH+]ccn2-c2ccccc2F)CC1 ZINC000011695775 559188972 /nfs/dbraw/zinc/18/89/72/559188972.db2.gz GVBLYRFAUIZZGP-UHFFFAOYSA-N 1 2 423.492 3.171 50 0 HGAALO CCC[N@H+](CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000248011958 559259425 /nfs/dbraw/zinc/25/94/25/559259425.db2.gz CBBWLCMQQPCCPE-HIFRSBDPSA-N 1 2 421.390 3.412 50 0 HGAALO CCC[N@@H+](CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000248011958 559259426 /nfs/dbraw/zinc/25/94/26/559259426.db2.gz CBBWLCMQQPCCPE-HIFRSBDPSA-N 1 2 421.390 3.412 50 0 HGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4cn(C)nc4C)csc3C2)nc1 ZINC000426434157 559271410 /nfs/dbraw/zinc/27/14/10/559271410.db2.gz UMIKFJUXHDDBIC-UHFFFAOYSA-N 1 2 409.559 3.236 50 0 HGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCc4cn(C)nc4C)csc3C2)nc1 ZINC000426434157 559271411 /nfs/dbraw/zinc/27/14/11/559271411.db2.gz UMIKFJUXHDDBIC-UHFFFAOYSA-N 1 2 409.559 3.236 50 0 HGAALO CCS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccccc3s2)cc1 ZINC000005242523 560549646 /nfs/dbraw/zinc/54/96/46/560549646.db2.gz XRHCGESDMQVURE-UHFFFAOYSA-N 1 2 417.556 3.298 50 0 HGAALO CC(C)c1[nH+]c2cc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)ccc2n1C ZINC000206255251 560555519 /nfs/dbraw/zinc/55/55/19/560555519.db2.gz OICZKRNKGAHOCN-QGZVFWFLSA-N 1 2 419.485 3.166 50 0 HGAALO COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=S)n(C3CCCCC3)c1=O)[NH2+]CC2 ZINC000017197448 560704236 /nfs/dbraw/zinc/70/42/36/560704236.db2.gz XJUKIFZZMNYBHQ-GOSISDBHSA-N 1 2 417.531 3.369 50 0 HGAALO COc1cc2c(cc1OC)[C@H](c1c(=O)[nH]c(=S)n(C3CCCCC3)c1O)[NH2+]CC2 ZINC000017197448 560704240 /nfs/dbraw/zinc/70/42/40/560704240.db2.gz XJUKIFZZMNYBHQ-GOSISDBHSA-N 1 2 417.531 3.369 50 0 HGAALO C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907564 568416155 /nfs/dbraw/zinc/41/61/55/568416155.db2.gz PTKKRAHNDJQKSV-GCJKJVERSA-N 1 2 417.509 3.373 50 0 HGAALO C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907564 568416156 /nfs/dbraw/zinc/41/61/56/568416156.db2.gz PTKKRAHNDJQKSV-GCJKJVERSA-N 1 2 417.509 3.373 50 0 HGAALO Cc1cc(C)n(-c2ccc(NC(=O)N3CC[NH+](CCOc4ccccc4)CC3)cn2)n1 ZINC000048278317 568435716 /nfs/dbraw/zinc/43/57/16/568435716.db2.gz SALZVPHHRPKYLS-UHFFFAOYSA-N 1 2 420.517 3.113 50 0 HGAALO CCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](/C=C/c4ccccc4)CC3)C2=O)cc1 ZINC000049606620 568452593 /nfs/dbraw/zinc/45/25/93/568452593.db2.gz WRJYASKCAQIGLQ-MDRMPYQZSA-N 1 2 419.525 3.396 50 0 HGAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000049590066 568453013 /nfs/dbraw/zinc/45/30/13/568453013.db2.gz OWXHJWGWEXAYMJ-UHFFFAOYSA-N 1 2 404.514 3.154 50 0 HGAALO COc1ccc(C(=O)N2CN(CC[NH+]3CCOCC3)Cc3c(C)c(C)sc32)cc1 ZINC000020218827 568594959 /nfs/dbraw/zinc/59/49/59/568594959.db2.gz ZFUQVRGPIBPBPQ-UHFFFAOYSA-N 1 2 415.559 3.126 50 0 HGAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(N(C)C)cc2)CC1 ZINC000020288184 568597584 /nfs/dbraw/zinc/59/75/84/568597584.db2.gz SSSXZWJNTZOQTN-DYESRHJHSA-N 1 2 400.592 3.311 50 0 HGAALO CCOc1ccc(S(=O)(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000095465297 568623358 /nfs/dbraw/zinc/62/33/58/568623358.db2.gz CAVGVFUYGVGVIY-UHFFFAOYSA-N 1 2 411.527 3.272 50 0 HGAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2[nH]c1=S ZINC000020645358 568639069 /nfs/dbraw/zinc/63/90/69/568639069.db2.gz LFWJNDSWJNBXLC-HZPDHXFCSA-N 1 2 416.591 3.145 50 0 HGAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)NCc3ccc(C)cc3)cc2[nH]c1=S ZINC000020645369 568639100 /nfs/dbraw/zinc/63/91/00/568639100.db2.gz OTEJOLYPBSQBDZ-UHFFFAOYSA-N 1 2 424.570 3.265 50 0 HGAALO CO[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006543 568682888 /nfs/dbraw/zinc/68/28/88/568682888.db2.gz NKDNGLRTAMQACO-IAGOWNOFSA-N 1 2 411.930 3.283 50 0 HGAALO 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COCCCn1c(C[NH+]2CCN(C(C)=O)CC2)csc1=Nc1cccc(Cl)c1 ZINC000254527297 568752030 /nfs/dbraw/zinc/75/20/30/568752030.db2.gz GDDLMXJURLPMJQ-UHFFFAOYSA-N 1 2 422.982 3.136 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(Cl)c1Cl ZINC000021847475 568754756 /nfs/dbraw/zinc/75/47/56/568754756.db2.gz USNYPMOFDVYKFA-UHFFFAOYSA-N 1 2 422.312 3.478 50 0 HGAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1)S2 ZINC000022468412 568768451 /nfs/dbraw/zinc/76/84/51/568768451.db2.gz LIQQOQQXAISNDD-AWEZNQCLSA-N 1 2 412.346 3.448 50 0 HGAALO CCOc1ccc([C@@H](C2Sc3nc(CC)nn3C2=O)N2CC[NH+](CC)CC2)cc1 ZINC000022578145 568770215 /nfs/dbraw/zinc/77/02/15/568770215.db2.gz PZPFXHXHUDXZHY-SFHVURJKSA-N 1 2 415.563 3.184 50 0 HGAALO Cc1nc(-c2ccc(S(=O)(=O)NC[C@H](c3ccsc3)[NH+]3CCC3)cc2)co1 ZINC000225595005 568775555 /nfs/dbraw/zinc/77/55/55/568775555.db2.gz RXRXSFLLOUCPPL-LJQANCHMSA-N 1 2 403.529 3.437 50 0 HGAALO COc1cc(OC)cc([C@@H](NC(=O)c2ccc(Br)o2)c2[nH+]ccn2C)c1 ZINC000029130668 568820956 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409.511 3.318 50 0 HGAALO COC(=O)C1=C(C[N@@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000057415910 568834214 /nfs/dbraw/zinc/83/42/14/568834214.db2.gz XATOQHAASDITIP-HXUWFJFHSA-N 1 2 409.511 3.318 50 0 HGAALO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057440608 568836945 /nfs/dbraw/zinc/83/69/45/568836945.db2.gz OIIXWRYHMIAGFJ-UHFFFAOYSA-N 1 2 412.921 3.226 50 0 HGAALO CCOc1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1OCC ZINC000012520782 568841437 /nfs/dbraw/zinc/84/14/37/568841437.db2.gz ODWKKNIVJRTMOP-UHFFFAOYSA-N 1 2 415.515 3.207 50 0 HGAALO c1c(CN2CCN(c3nn4cc(-c5ccccc5)nc4s3)CC2)[nH+]c2ccccn12 ZINC000012535832 568845608 /nfs/dbraw/zinc/84/56/08/568845608.db2.gz MZLUHAGDMVQQFT-UHFFFAOYSA-N 1 2 415.526 3.428 50 0 HGAALO O=C(Nc1ccc(Cl)cc1F)[C@H](Cc1c[nH+]c[nH]1)N1C(=O)c2ccccc2C1=O ZINC000012537810 568846131 /nfs/dbraw/zinc/84/61/31/568846131.db2.gz FYZWPXZITBNRCS-KRWDZBQOSA-N 1 2 412.808 3.048 50 0 HGAALO C[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012544723 568849430 /nfs/dbraw/zinc/84/94/30/568849430.db2.gz CKBUYNOZRUTMSB-INIZCTEOSA-N 1 2 401.470 3.309 50 0 HGAALO O=C(c1ccccc1)C1CCN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CC1 ZINC000029997484 568855143 /nfs/dbraw/zinc/85/51/43/568855143.db2.gz FXAKKUQESFTERI-UHFFFAOYSA-N 1 2 406.534 3.171 50 0 HGAALO O=C(c1ccccc1)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)CC1 ZINC000029997484 568855146 /nfs/dbraw/zinc/85/51/46/568855146.db2.gz FXAKKUQESFTERI-UHFFFAOYSA-N 1 2 406.534 3.171 50 0 HGAALO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000057703940 568858649 /nfs/dbraw/zinc/85/86/49/568858649.db2.gz GCDYBJVUQVYABO-INIZCTEOSA-N 1 2 417.517 3.153 50 0 HGAALO C[C@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012601186 568870046 /nfs/dbraw/zinc/87/00/46/568870046.db2.gz DMTYVRXLRCXNNP-SFHVURJKSA-N 1 2 415.497 3.466 50 0 HGAALO O=C(COc1cccc(Br)c1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000030538963 568870377 /nfs/dbraw/zinc/87/03/77/568870377.db2.gz 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CCOC(=O)C1(S(=O)(=O)c2ccccc2)CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000004038407 568935689 /nfs/dbraw/zinc/93/56/89/568935689.db2.gz DQBSGZGYQPOXPQ-UHFFFAOYSA-N 1 2 401.528 3.367 50 0 HGAALO Cc1cccn2cc(COc3ccc(C(=O)NCC(C)(C)[NH+]4CCOCC4)cc3)nc12 ZINC000012758295 568943428 /nfs/dbraw/zinc/94/34/28/568943428.db2.gz VAHIRRVYXYCAHH-UHFFFAOYSA-N 1 2 422.529 3.062 50 0 HGAALO C[N@@H+]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000084240577 568944880 /nfs/dbraw/zinc/94/48/80/568944880.db2.gz LGWUPBNTZCZTEK-HNNXBMFYSA-N 1 2 416.444 3.378 50 0 HGAALO C[N@H+]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000084240577 568944882 /nfs/dbraw/zinc/94/48/82/568944882.db2.gz LGWUPBNTZCZTEK-HNNXBMFYSA-N 1 2 416.444 3.378 50 0 HGAALO Cn1c(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)nnc1-c1ccccc1 ZINC000084307058 568945745 /nfs/dbraw/zinc/94/57/45/568945745.db2.gz XDZJXVJAHCTUPE-UHFFFAOYSA-N 1 2 418.497 3.348 50 0 HGAALO Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC[NH+](C)CC4)cc3n2)cc1 ZINC000059491742 568956844 /nfs/dbraw/zinc/95/68/44/568956844.db2.gz YIEMGCLKWGQMJV-UHFFFAOYSA-N 1 2 403.408 3.111 50 0 HGAALO CCOc1ccc(CN2CC[N@H+](Cc3cc(OC)ccc3OC)C[C@H]2CCO)cc1 ZINC000104481085 569008824 /nfs/dbraw/zinc/00/88/24/569008824.db2.gz HRPZILAMZSWTGJ-OAQYLSRUSA-N 1 2 414.546 3.171 50 0 HGAALO CCOc1ccc(CN2CC[N@@H+](Cc3cc(OC)ccc3OC)C[C@H]2CCO)cc1 ZINC000104481085 569008825 /nfs/dbraw/zinc/00/88/25/569008825.db2.gz HRPZILAMZSWTGJ-OAQYLSRUSA-N 1 2 414.546 3.171 50 0 HGAALO Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccnc2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000015882583 569019132 /nfs/dbraw/zinc/01/91/32/569019132.db2.gz UCNQYPNMHCMEPQ-HSZRJFAPSA-N 1 2 414.509 3.244 50 0 HGAALO Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccnc2)[N@H+]2CCc3ccccc3C2)c1 ZINC000015882583 569019133 /nfs/dbraw/zinc/01/91/33/569019133.db2.gz UCNQYPNMHCMEPQ-HSZRJFAPSA-N 1 2 414.509 3.244 50 0 HGAALO CCOC(=O)C1=C(C[N@H+](C)Cc2ccc(F)c(F)c2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012909207 569021709 /nfs/dbraw/zinc/02/17/09/569021709.db2.gz VYBAPQDADFJNPA-LJQANCHMSA-N 1 2 419.428 3.169 50 0 HGAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccc(F)c(F)c2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012909207 569021710 /nfs/dbraw/zinc/02/17/10/569021710.db2.gz VYBAPQDADFJNPA-LJQANCHMSA-N 1 2 419.428 3.169 50 0 HGAALO O=C(NCCn1ncc2c1nc[nH+]c2NCCc1ccccc1)c1ccc(F)cc1F ZINC000035590575 569045449 /nfs/dbraw/zinc/04/54/49/569045449.db2.gz RAKHIYWIVFPTLU-UHFFFAOYSA-N 1 2 422.439 3.189 50 0 HGAALO CC(=O)Nc1cccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000012999257 569048910 /nfs/dbraw/zinc/04/89/10/569048910.db2.gz VWEUJMNJPKYEKR-UHFFFAOYSA-N 1 2 401.894 3.135 50 0 HGAALO Cc1ccc(CN2CC[N@H+](Cc3cccn3-c3ccc(Cl)cn3)C[C@H]2CCO)o1 ZINC000036385578 569052277 /nfs/dbraw/zinc/05/22/77/569052277.db2.gz JGJHRKXFWUXZJP-LJQANCHMSA-N 1 2 414.937 3.496 50 0 HGAALO Cc1ccc(CN2CC[N@@H+](Cc3cccn3-c3ccc(Cl)cn3)C[C@H]2CCO)o1 ZINC000036385578 569052278 /nfs/dbraw/zinc/05/22/78/569052278.db2.gz JGJHRKXFWUXZJP-LJQANCHMSA-N 1 2 414.937 3.496 50 0 HGAALO COc1cc2nc(C[N@H+](C)Cc3ccc(Br)cc3)[nH]c(=O)c2cc1OC ZINC000006505027 569061723 /nfs/dbraw/zinc/06/17/23/569061723.db2.gz QUMFCIZWWMSUGU-UHFFFAOYSA-N 1 2 418.291 3.335 50 0 HGAALO COc1cc2nc(C[N@@H+](C)Cc3ccc(Br)cc3)[nH]c(=O)c2cc1OC ZINC000006505027 569061724 /nfs/dbraw/zinc/06/17/24/569061724.db2.gz QUMFCIZWWMSUGU-UHFFFAOYSA-N 1 2 418.291 3.335 50 0 HGAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)Cc1ccco1 ZINC000006551954 569065230 /nfs/dbraw/zinc/06/52/30/569065230.db2.gz OGKKJEQAYZCJJZ-UHFFFAOYSA-N 1 2 407.426 3.331 50 0 HGAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)Cc1ccco1 ZINC000006551954 569065231 /nfs/dbraw/zinc/06/52/31/569065231.db2.gz OGKKJEQAYZCJJZ-UHFFFAOYSA-N 1 2 407.426 3.331 50 0 HGAALO Cc1cc(O[C@H](C)C(=O)NCCCn2cc[nH+]c2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000006659666 569083989 /nfs/dbraw/zinc/08/39/89/569083989.db2.gz SVQWOTNNPUMBML-MRXNPFEDSA-N 1 2 409.486 3.151 50 0 HGAALO Cc1cccc(OCc2nc(CN(CC[NH+]3CCOCC3)C(=O)C(C)C)cs2)c1 ZINC000036106306 569093087 /nfs/dbraw/zinc/09/30/87/569093087.db2.gz AQJQBDODFALIPW-UHFFFAOYSA-N 1 2 417.575 3.347 50 0 HGAALO C[N@H+](CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)[C@H]1CCCc2ccccc21 ZINC000036423584 569180585 /nfs/dbraw/zinc/18/05/85/569180585.db2.gz CKOCVRFKNNNDOY-UNMCSNQZSA-N 1 2 418.603 3.344 50 0 HGAALO C[N@@H+](CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)[C@H]1CCCc2ccccc21 ZINC000036423584 569180587 /nfs/dbraw/zinc/18/05/87/569180587.db2.gz CKOCVRFKNNNDOY-UNMCSNQZSA-N 1 2 418.603 3.344 50 0 HGAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)n2)n1 ZINC000065240363 569203776 /nfs/dbraw/zinc/20/37/76/569203776.db2.gz JXPWZOABBDXLRO-SFHVURJKSA-N 1 2 404.518 3.373 50 0 HGAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)nc[nH+]1 ZINC000065242426 569204672 /nfs/dbraw/zinc/20/46/72/569204672.db2.gz YCFUEQPAJBLZBC-LJQANCHMSA-N 1 2 410.566 3.391 50 0 HGAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)[nH+]cn1 ZINC000065242426 569204674 /nfs/dbraw/zinc/20/46/74/569204674.db2.gz YCFUEQPAJBLZBC-LJQANCHMSA-N 1 2 410.566 3.391 50 0 HGAALO CCNc1cc(N2CCC[C@@H](CCC(=O)NCc3cc(F)cc(F)c3)C2)nc[nH+]1 ZINC000065244987 569204951 /nfs/dbraw/zinc/20/49/51/569204951.db2.gz KNEYRFGPHIEPRS-HNNXBMFYSA-N 1 2 403.477 3.500 50 0 HGAALO CCNc1cc(N2CCC[C@@H](CCC(=O)NCc3cc(F)cc(F)c3)C2)[nH+]cn1 ZINC000065244987 569204952 /nfs/dbraw/zinc/20/49/52/569204952.db2.gz KNEYRFGPHIEPRS-HNNXBMFYSA-N 1 2 403.477 3.500 50 0 HGAALO O=C(c1cnccn1)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]Cc1ccccc1 ZINC000065259915 569210880 /nfs/dbraw/zinc/21/08/80/569210880.db2.gz JHEGJTVBDGNLAO-DEOSSOPVSA-N 1 2 412.497 3.397 50 0 HGAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1cnn3cccnc13)C2 ZINC000065260101 569211083 /nfs/dbraw/zinc/21/10/83/569211083.db2.gz GQMNOPMTKKEIEA-QHCPKHFHSA-N 1 2 417.517 3.248 50 0 HGAALO CCOc1ccc(C)cc1S(=O)(=O)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700303 569222676 /nfs/dbraw/zinc/22/26/76/569222676.db2.gz IMEADAOLRVPAFJ-OAQYLSRUSA-N 1 2 418.559 3.136 50 0 HGAALO CCOc1ccc(C)cc1S(=O)(=O)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700303 569222677 /nfs/dbraw/zinc/22/26/77/569222677.db2.gz IMEADAOLRVPAFJ-OAQYLSRUSA-N 1 2 418.559 3.136 50 0 HGAALO COCCn1c(C)c(C)c2cc(C(=O)N3CCC([C@H](O)c4[nH]cc[nH+]4)CC3)ccc21 ZINC000170606183 569244340 /nfs/dbraw/zinc/24/43/40/569244340.db2.gz NZZGCRKWGKNCRH-NRFANRHFSA-N 1 2 410.518 3.213 50 0 HGAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000009883484 569251511 /nfs/dbraw/zinc/25/15/11/569251511.db2.gz OJVHFLGBGQWSCD-GOSISDBHSA-N 1 2 405.502 3.405 50 0 HGAALO COc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)cc1 ZINC000017013771 569271760 /nfs/dbraw/zinc/27/17/60/569271760.db2.gz SFPPHJJXYWHVSV-UHFFFAOYSA-N 1 2 413.503 3.404 50 0 HGAALO COc1ccccc1N1CC[NH+](CC2=CC(C)(C)N3C(=O)C(=O)c4cccc2c43)CC1 ZINC000253495562 569381861 /nfs/dbraw/zinc/38/18/61/569381861.db2.gz JHUQXJKEJUAWQZ-UHFFFAOYSA-N 1 2 417.509 3.222 50 0 HGAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000013296411 569410511 /nfs/dbraw/zinc/41/05/11/569410511.db2.gz YZMBRWTTZYSVOX-NSHDSACASA-N 1 2 416.482 3.060 50 0 HGAALO COc1ccc(-c2cc(C(=O)N3CC[NH+](CCOc4ccc(C)cc4)CC3)[nH]n2)cc1 ZINC000013366610 569412269 /nfs/dbraw/zinc/41/22/69/569412269.db2.gz LRJXEWHKMTVDGG-UHFFFAOYSA-N 1 2 420.513 3.231 50 0 HGAALO COCCOC(=O)Nc1cccc(NC(=O)NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000078699021 569417554 /nfs/dbraw/zinc/41/75/54/569417554.db2.gz ZNXUYDOIKJBLMJ-UHFFFAOYSA-N 1 2 411.462 3.361 50 0 HGAALO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000079065356 569426593 /nfs/dbraw/zinc/42/65/93/569426593.db2.gz DABVJFJETSTHJD-KRWDZBQOSA-N 1 2 400.954 3.407 50 0 HGAALO C[C@@H](C(=O)N1CCCCC1)N1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000079065356 569426594 /nfs/dbraw/zinc/42/65/94/569426594.db2.gz DABVJFJETSTHJD-KRWDZBQOSA-N 1 2 400.954 3.407 50 0 HGAALO CCc1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000019671283 569427596 /nfs/dbraw/zinc/42/75/96/569427596.db2.gz WNLOIMFPGYHNDM-GOSISDBHSA-N 1 2 411.546 3.411 50 0 HGAALO COc1c2c(cc3c1C=C(c1cc(=O)oc4cc5c(cc41)OCO5)[N@H+](C)CC3)OCO2 ZINC000079188731 569429052 /nfs/dbraw/zinc/42/90/52/569429052.db2.gz YRCRCYLBTBHYPK-UHFFFAOYSA-N 1 2 421.405 3.245 50 0 biogenic HGAALO COc1c2c(cc3c1C=C(c1cc(=O)oc4cc5c(cc41)OCO5)[N@@H+](C)CC3)OCO2 ZINC000079188731 569429053 /nfs/dbraw/zinc/42/90/53/569429053.db2.gz YRCRCYLBTBHYPK-UHFFFAOYSA-N 1 2 421.405 3.245 50 0 biogenic HGAALO COc1ccc(OC)c2c(=O)c(C[NH+]3CCN(Cc4ccccc4)CC3)c(C)[nH]c12 ZINC000019793607 569430060 /nfs/dbraw/zinc/43/00/60/569430060.db2.gz PFRGHQOEDLHZOU-UHFFFAOYSA-N 1 2 407.514 3.172 50 0 HGAALO C[N@@H+]1CCc2nc3sc(C(=O)NCCc4c[nH]c5ccccc45)c(N)c3cc2C1 ZINC000019853567 569431238 /nfs/dbraw/zinc/43/12/38/569431238.db2.gz UGYYAEYOFKQSPB-UHFFFAOYSA-N 1 2 405.527 3.320 50 0 HGAALO C[N@H+]1CCc2nc3sc(C(=O)NCCc4c[nH]c5ccccc45)c(N)c3cc2C1 ZINC000019853567 569431239 /nfs/dbraw/zinc/43/12/39/569431239.db2.gz UGYYAEYOFKQSPB-UHFFFAOYSA-N 1 2 405.527 3.320 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1cnn(-c2ccccc2)c1)c1cccc(F)c1 ZINC000040071903 571152635 /nfs/dbraw/zinc/15/26/35/571152635.db2.gz HEJWKTBOFSQMLR-FQEVSTJZSA-N 1 2 404.449 3.334 50 0 HGAALO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000008982163 571204691 /nfs/dbraw/zinc/20/46/91/571204691.db2.gz GTVSYZOCBMHLAP-GOSISDBHSA-N 1 2 424.950 3.473 50 0 HGAALO Cc1nn(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c(=S)n1Cc1ccccc1 ZINC000040158173 571204769 /nfs/dbraw/zinc/20/47/69/571204769.db2.gz DRCLQSXAUKVJOL-UHFFFAOYSA-N 1 2 409.563 3.146 50 0 HGAALO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000244950789 571210663 /nfs/dbraw/zinc/21/06/63/571210663.db2.gz FLSMQLKXKGXIEE-OAHLLOKOSA-N 1 2 400.953 3.310 50 0 HGAALO O=C(C[N@@H+](Cc1ccccc1)CC1CCC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000069947649 571250732 /nfs/dbraw/zinc/25/07/32/571250732.db2.gz ZKZIHIUTUFRIIK-JOCHJYFZSA-N 1 2 418.603 3.247 50 0 HGAALO O=C(C[N@H+](Cc1ccccc1)CC1CCC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000069947649 571250733 /nfs/dbraw/zinc/25/07/33/571250733.db2.gz ZKZIHIUTUFRIIK-JOCHJYFZSA-N 1 2 418.603 3.247 50 0 HGAALO CCOC(=O)N1CCN(c2[nH+]cnc3c2cnn3-c2cc(Cl)ccc2C)CC1 ZINC000009518702 571265563 /nfs/dbraw/zinc/26/55/63/571265563.db2.gz ITZVROGFQOXKRV-UHFFFAOYSA-N 1 2 400.870 3.056 50 0 HGAALO O=c1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)nc2scc(-c3ccccc3)n21 ZINC000003284238 132263987 /nfs/dbraw/zinc/26/39/87/132263987.db2.gz GRHHVJNBLUNOKZ-UHFFFAOYSA-N 1 2 418.522 3.451 50 0 HGAALO Cc1nc(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]c1Cc1ccccc1 ZINC000007246280 132323137 /nfs/dbraw/zinc/32/31/37/132323137.db2.gz UYOKBGVIMWKFOG-UHFFFAOYSA-N 1 2 407.543 3.145 50 0 HGAALO Cc1[nH]c(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc1Cc1ccccc1 ZINC000007246280 132323138 /nfs/dbraw/zinc/32/31/38/132323138.db2.gz UYOKBGVIMWKFOG-UHFFFAOYSA-N 1 2 407.543 3.145 50 0 HGAALO O=C(CN(c1cc[nH+]cc1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21 ZINC000008194279 132328651 /nfs/dbraw/zinc/32/86/51/132328651.db2.gz SJPBYVZQLUWBDW-UHFFFAOYSA-N 1 2 407.495 3.256 50 0 HGAALO CCN1C[C@H](C[N@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2)Oc2ccccc21 ZINC000008727691 132332741 /nfs/dbraw/zinc/33/27/41/132332741.db2.gz ZXWHJKKGONTDEO-NRFANRHFSA-N 1 2 408.546 3.445 50 0 HGAALO CCN1C[C@H](C[N@@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2)Oc2ccccc21 ZINC000008727691 132332743 /nfs/dbraw/zinc/33/27/43/132332743.db2.gz ZXWHJKKGONTDEO-NRFANRHFSA-N 1 2 408.546 3.445 50 0 HGAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)C1c2ccccc2Oc2ccccc21 ZINC000011115244 132347503 /nfs/dbraw/zinc/34/75/03/132347503.db2.gz ZXUINPXWTJBJBA-UHFFFAOYSA-N 1 2 401.466 3.472 50 0 HGAALO Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1NC(=O)c1ccco1 ZINC000011115745 132347508 /nfs/dbraw/zinc/34/75/08/132347508.db2.gz QKTIPFKWENVOMO-UHFFFAOYSA-N 1 2 420.469 3.002 50 0 HGAALO O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000011906612 132351910 /nfs/dbraw/zinc/35/19/10/132351910.db2.gz DGGPHSLVLQLUQX-UHFFFAOYSA-N 1 2 413.499 3.131 50 0 HGAALO CN(Cc1ccccc1N1CCOCC1)c1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000012536337 132362150 /nfs/dbraw/zinc/36/21/50/132362150.db2.gz PCMSPNYGIMPXHJ-UHFFFAOYSA-N 1 2 418.476 3.428 50 0 HGAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000012597953 132364878 /nfs/dbraw/zinc/36/48/78/132364878.db2.gz WHTUDIVRLJIZFU-UHFFFAOYSA-N 1 2 405.498 3.336 50 0 HGAALO CCOc1ccc(OCCNC(=O)C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000032825336 521176937 /nfs/dbraw/zinc/17/69/37/521176937.db2.gz YFMQRAAZNMAGEO-VWLOTQADSA-N 1 2 419.525 3.487 50 0 HGAALO CCOc1ccc(OCCNC(=O)C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000032825336 521176949 /nfs/dbraw/zinc/17/69/49/521176949.db2.gz YFMQRAAZNMAGEO-VWLOTQADSA-N 1 2 419.525 3.487 50 0 HGAALO CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000032845004 521391184 /nfs/dbraw/zinc/39/11/84/521391184.db2.gz JVSWVOLWLLTNNK-UHFFFAOYSA-N 1 2 408.502 3.334 50 0 HGAALO COc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@@H]2CCO)c(F)c1 ZINC000020535453 524032790 /nfs/dbraw/zinc/03/27/90/524032790.db2.gz OCWHUWGDMBFFRV-NRFANRHFSA-N 1 2 424.520 3.089 50 0 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50 0 HGAALO COc1ccc(Cl)cc1N1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000034668250 557361631 /nfs/dbraw/zinc/36/16/31/557361631.db2.gz GOCBYYACLLDBHP-HNNXBMFYSA-N 1 2 405.901 3.315 50 0 HGAALO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(C)CC2)cc1 ZINC000022698261 557794194 /nfs/dbraw/zinc/79/41/94/557794194.db2.gz BBPCEGKWDKMPOC-QHCPKHFHSA-N 1 2 407.514 3.149 50 0 HGAALO CC1(C)Cc2cccc(OCc3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)c2O1 ZINC000022713975 557801872 /nfs/dbraw/zinc/80/18/72/557801872.db2.gz VUDTUVXVTAVZEE-UHFFFAOYSA-N 1 2 410.514 3.041 50 0 HGAALO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022783046 557819604 /nfs/dbraw/zinc/81/96/04/557819604.db2.gz MGVZGFYVAKNALH-KRWDZBQOSA-N 1 2 420.985 3.076 50 0 HGAALO COc1cc(C)c(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccc(C)cc3)CC2)cc1OC ZINC000022789392 557821803 /nfs/dbraw/zinc/82/18/03/557821803.db2.gz NNXVXWJQEVXQCC-IBGZPJMESA-N 1 2 411.546 3.465 50 0 HGAALO C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 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O=C(NC[C@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1)c1n[nH]c2ccccc21 ZINC000012299667 558369490 /nfs/dbraw/zinc/36/94/90/558369490.db2.gz ZWJVODOORMDZFY-OAHLLOKOSA-N 1 2 406.515 3.210 50 0 HGAALO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1)c1n[nH]c2ccccc21 ZINC000012299667 558369492 /nfs/dbraw/zinc/36/94/92/558369492.db2.gz ZWJVODOORMDZFY-OAHLLOKOSA-N 1 2 406.515 3.210 50 0 HGAALO Cc1cc(NCC[NH+]2CCOCC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000020547376 558386064 /nfs/dbraw/zinc/38/60/64/558386064.db2.gz JCZHQMDFGIZSHP-UHFFFAOYSA-N 1 2 405.424 3.468 50 0 HGAALO CC(C)[N@@H+]1CCc2nc3sc(C(=O)NCc4ccc5c(c4)OCO5)c(N)c3cc2C1 ZINC000012401583 558397443 /nfs/dbraw/zinc/39/74/43/558397443.db2.gz OOCCCOJWXSLJHS-UHFFFAOYSA-N 1 2 424.526 3.304 50 0 HGAALO CC(C)[N@H+]1CCc2nc3sc(C(=O)NCc4ccc5c(c4)OCO5)c(N)c3cc2C1 ZINC000012401583 558397447 /nfs/dbraw/zinc/39/74/47/558397447.db2.gz OOCCCOJWXSLJHS-UHFFFAOYSA-N 1 2 424.526 3.304 50 0 HGAALO O=C(NCc1nnc2n1CC[N@@H+](Cc1c(F)cccc1Cl)CC2)c1ccccc1 ZINC000020774481 558411898 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3.458 50 0 HGAALO C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012806042 558473635 /nfs/dbraw/zinc/47/36/35/558473635.db2.gz VHGXSZZSMKKHLC-HNNXBMFYSA-N 1 2 401.457 3.320 50 0 HGAALO O=C(CN1CC[NH+](Cc2cccc(Cl)c2)CC1)Nc1ccc2nsnc2c1 ZINC000022752284 558507643 /nfs/dbraw/zinc/50/76/43/558507643.db2.gz OMKCVIKFTUIUHH-UHFFFAOYSA-N 1 2 401.923 3.101 50 0 HGAALO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022783001 558510319 /nfs/dbraw/zinc/51/03/19/558510319.db2.gz VYYSZMUBFPPVGD-FGTMMUONSA-N 1 2 420.985 3.074 50 0 HGAALO Cc1ccccc1CCNC(=O)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022796734 558512083 /nfs/dbraw/zinc/51/20/83/558512083.db2.gz CYMCQEQVISGISM-UHFFFAOYSA-N 1 2 415.965 3.004 50 0 HGAALO COc1ccc(F)cc1CN1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000022812848 558514420 /nfs/dbraw/zinc/51/44/20/558514420.db2.gz SFTAVORNGRRKIY-QFIPXVFZSA-N 1 2 411.521 3.146 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]12 ZINC000013557058 558540350 /nfs/dbraw/zinc/54/03/50/558540350.db2.gz TVDYMEYMPBZKCE-MANSERQUSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]12 ZINC000013557058 558540353 /nfs/dbraw/zinc/54/03/53/558540353.db2.gz TVDYMEYMPBZKCE-MANSERQUSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(CC[C@@H]1CCCN(C(=O)C2=CCCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000013596864 558547384 /nfs/dbraw/zinc/54/73/84/558547384.db2.gz YEZHJFKPYKQBHQ-FQEVSTJZSA-N 1 2 410.562 3.249 50 0 HGAALO COc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC000023409098 558557272 /nfs/dbraw/zinc/55/72/72/558557272.db2.gz CJIBCAACAYXEBM-JOCHJYFZSA-N 1 2 415.493 3.303 50 0 HGAALO Cc1cccc(C2N=NC(=S)N2CCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000023608790 558563497 /nfs/dbraw/zinc/56/34/97/558563497.db2.gz XHMREYMOHOZEEA-UHFFFAOYSA-N 1 2 414.560 3.015 50 0 HGAALO Cc1cccc(C2N=NC(=S)N2CCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000023608790 558563500 /nfs/dbraw/zinc/56/35/00/558563500.db2.gz XHMREYMOHOZEEA-UHFFFAOYSA-N 1 2 414.560 3.015 50 0 HGAALO COc1ccc(-c2nc(CC(=O)N3CCN(c4cccc[nH+]4)CC3)cs2)cc1OC ZINC000013690232 558572277 /nfs/dbraw/zinc/57/22/77/558572277.db2.gz KUMXUEUWPBKZJS-UHFFFAOYSA-N 1 2 424.526 3.114 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)CCc3nc(-c4ccccc4)no3)CC2)cc1F ZINC000023738277 558572359 /nfs/dbraw/zinc/57/23/59/558572359.db2.gz PHPUXFDTIDBPAK-UHFFFAOYSA-N 1 2 424.476 3.161 50 0 HGAALO CC(C)(C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000023763354 558575235 /nfs/dbraw/zinc/57/52/35/558575235.db2.gz BMAFRDSPPBIBGO-OAQYLSRUSA-N 1 2 402.560 3.024 50 0 HGAALO Cc1cc(NC(=O)[C@@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)no1 ZINC000024208031 558592187 /nfs/dbraw/zinc/59/21/87/558592187.db2.gz MCVGKSCQZZKDQF-QRWLVFNGSA-N 1 2 413.499 3.417 50 0 HGAALO O=C(Cc1cn2ccsc2n1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000024230005 558592848 /nfs/dbraw/zinc/59/28/48/558592848.db2.gz SQDDVBFXHRRQJJ-UHFFFAOYSA-N 1 2 408.449 3.302 50 0 HGAALO COC(=O)c1cccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000024366795 558596403 /nfs/dbraw/zinc/59/64/03/558596403.db2.gz SOPXUVJHKIZKAV-UHFFFAOYSA-N 1 2 422.934 3.023 50 0 HGAALO COC(=O)c1cccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000024366795 558596405 /nfs/dbraw/zinc/59/64/05/558596405.db2.gz SOPXUVJHKIZKAV-UHFFFAOYSA-N 1 2 422.934 3.023 50 0 HGAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000024382154 558596869 /nfs/dbraw/zinc/59/68/69/558596869.db2.gz PGVRAVFPSPFYKM-UHFFFAOYSA-N 1 2 423.494 3.342 50 0 HGAALO O=C(NCc1cn2ccccc2[nH+]1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000024601425 558602189 /nfs/dbraw/zinc/60/21/89/558602189.db2.gz ZGXSYKWMTSXSRE-UHFFFAOYSA-N 1 2 403.408 3.281 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1OC ZINC000025201445 558634648 /nfs/dbraw/zinc/63/46/48/558634648.db2.gz NCTCZCRPNCLSLY-UHFFFAOYSA-N 1 2 407.514 3.462 50 0 HGAALO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c1C ZINC000072236019 558635491 /nfs/dbraw/zinc/63/54/91/558635491.db2.gz UAQZIYDHPZPAPS-HNNXBMFYSA-N 1 2 412.486 3.290 50 0 HGAALO COc1cc(C[N@H+](C)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)ccc1OC(F)F ZINC000014229586 558639419 /nfs/dbraw/zinc/63/94/19/558639419.db2.gz GWGJUOPCWDUCRJ-RBZFPXEDSA-N 1 2 411.449 3.187 50 0 HGAALO COc1cc(C[N@@H+](C)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)ccc1OC(F)F ZINC000014229586 558639421 /nfs/dbraw/zinc/63/94/21/558639421.db2.gz GWGJUOPCWDUCRJ-RBZFPXEDSA-N 1 2 411.449 3.187 50 0 HGAALO CCOc1ccc(C(=O)CCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000014231742 558640060 /nfs/dbraw/zinc/64/00/60/558640060.db2.gz ZPUHRAVTDNGYNV-UHFFFAOYSA-N 1 2 402.535 3.200 50 0 HGAALO CCN1C[C@H](C[N@H+](C)CCS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc21 ZINC000027543688 558674518 /nfs/dbraw/zinc/67/45/18/558674518.db2.gz ZJFKFUGLXNRHOD-KRWDZBQOSA-N 1 2 408.951 3.333 50 0 HGAALO CCN1C[C@H](C[N@@H+](C)CCS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc21 ZINC000027543688 558674521 /nfs/dbraw/zinc/67/45/21/558674521.db2.gz ZJFKFUGLXNRHOD-KRWDZBQOSA-N 1 2 408.951 3.333 50 0 HGAALO COc1cc2cc(C[NH+]3CCOCC3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000014996412 558696409 /nfs/dbraw/zinc/69/64/09/558696409.db2.gz ZIDFOHIIMUPTAW-UHFFFAOYSA-N 1 2 408.498 3.208 50 0 HGAALO O=C(N[C@H](CCn1cc[nH+]c1)c1ccccc1)c1cn(Cc2ccccc2F)nn1 ZINC000015061995 558705140 /nfs/dbraw/zinc/70/51/40/558705140.db2.gz PGMUZYGSNFGFOK-HXUWFJFHSA-N 1 2 404.449 3.223 50 0 HGAALO O=C(N/C(=C/c1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000004572961 558744393 /nfs/dbraw/zinc/74/43/93/558744393.db2.gz JBVZJIDYYZZFEV-ZBJSNUHESA-N 1 2 412.493 3.201 50 0 HGAALO COc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033383823 558768282 /nfs/dbraw/zinc/76/82/82/558768282.db2.gz QYKMGUXIMDSTCS-UHFFFAOYSA-N 1 2 408.951 3.472 50 0 HGAALO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C(C)(C)C ZINC000036636398 558800520 /nfs/dbraw/zinc/80/05/20/558800520.db2.gz UPINCSRXKVPFEV-UHFFFAOYSA-N 1 2 402.560 3.499 50 0 HGAALO O=C([O-])[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000016740601 558803461 /nfs/dbraw/zinc/80/34/61/558803461.db2.gz MSXVAOAVBHWDPW-FQEVSTJZSA-N 1 2 408.458 3.137 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@@H]3CCC[N@@H+]32)cc1 ZINC000013556802 558843659 /nfs/dbraw/zinc/84/36/59/558843659.db2.gz OFZSRVMXIITFEV-CBPXPLCBSA-N 1 2 402.494 3.447 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@@H]3CCC[N@H+]32)cc1 ZINC000013556802 558843661 /nfs/dbraw/zinc/84/36/61/558843661.db2.gz OFZSRVMXIITFEV-CBPXPLCBSA-N 1 2 402.494 3.447 50 0 HGAALO COc1cccc2c1OCC(C[N@@H+]1CCN(Cc3ccsc3)[C@@H](CCO)C1)=C2 ZINC000019224633 558852630 /nfs/dbraw/zinc/85/26/30/558852630.db2.gz KBZOBWVKCUSVEX-FQEVSTJZSA-N 1 2 400.544 3.101 50 0 HGAALO COc1cccc2c1OCC(C[N@H+]1CCN(Cc3ccsc3)[C@@H](CCO)C1)=C2 ZINC000019224633 558852631 /nfs/dbraw/zinc/85/26/31/558852631.db2.gz KBZOBWVKCUSVEX-FQEVSTJZSA-N 1 2 400.544 3.101 50 0 HGAALO COC(=O)c1ccccc1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000068708538 558864342 /nfs/dbraw/zinc/86/43/42/558864342.db2.gz IEZZCZDYLHPKAV-UHFFFAOYSA-N 1 2 421.419 3.253 50 0 HGAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000033106625 558874217 /nfs/dbraw/zinc/87/42/17/558874217.db2.gz IZQINQSZHZNUFC-UHFFFAOYSA-N 1 2 403.280 3.374 50 0 HGAALO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1 ZINC000058175436 558909137 /nfs/dbraw/zinc/90/91/37/558909137.db2.gz CHRLHRWTHGZMKV-OAQYLSRUSA-N 1 2 420.513 3.008 50 0 HGAALO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1 ZINC000058175436 558909140 /nfs/dbraw/zinc/90/91/40/558909140.db2.gz CHRLHRWTHGZMKV-OAQYLSRUSA-N 1 2 420.513 3.008 50 0 HGAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)C[C@@H]2COc3ccccc3O2)c1C ZINC000058175465 558909499 /nfs/dbraw/zinc/90/94/99/558909499.db2.gz ZNDKUVJLMPMAKP-HZPDHXFCSA-N 1 2 400.475 3.151 50 0 HGAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1C ZINC000058175465 558909501 /nfs/dbraw/zinc/90/95/01/558909501.db2.gz ZNDKUVJLMPMAKP-HZPDHXFCSA-N 1 2 400.475 3.151 50 0 HGAALO Cn1c2ccccc2c(Br)c1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000058416555 558925405 /nfs/dbraw/zinc/92/54/05/558925405.db2.gz LDCDOFUDQNNMLU-UHFFFAOYSA-N 1 2 410.275 3.452 50 0 HGAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)[nH+]c(C)n2)n1 ZINC000065363513 558974581 /nfs/dbraw/zinc/97/45/81/558974581.db2.gz WZHFFFHKOCQMGH-UHFFFAOYSA-N 1 2 409.469 3.081 50 0 HGAALO CSc1cccc(NC(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)ncn3)CC2)c1 ZINC000072437141 558980542 /nfs/dbraw/zinc/98/05/42/558980542.db2.gz CJYUDTFFDCQUBK-UHFFFAOYSA-N 1 2 423.546 3.355 50 0 HGAALO Cc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000022996877 558982229 /nfs/dbraw/zinc/98/22/29/558982229.db2.gz SZCUXFVUMFYSBG-UHFFFAOYSA-N 1 2 421.950 3.207 50 0 HGAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)ncn2)c1C ZINC000072446667 558982362 /nfs/dbraw/zinc/98/23/62/558982362.db2.gz FKZKCDINSFYHEA-UHFFFAOYSA-N 1 2 414.872 3.034 50 0 HGAALO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C(C)C ZINC000067601969 558987685 /nfs/dbraw/zinc/98/76/85/558987685.db2.gz ZZTXWGAYJNXTCF-UHFFFAOYSA-N 1 2 418.559 3.129 50 0 HGAALO O=C(Nc1cccc(CN2CCOCC2)n1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000097032450 558988161 /nfs/dbraw/zinc/98/81/61/558988161.db2.gz FYBTVKRMBXBUQR-OAQYLSRUSA-N 1 2 412.509 3.046 50 0 HGAALO O=C(Nc1cccc(CN2CCOCC2)n1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000097032450 558988163 /nfs/dbraw/zinc/98/81/63/558988163.db2.gz FYBTVKRMBXBUQR-OAQYLSRUSA-N 1 2 412.509 3.046 50 0 HGAALO CCn1nccc1C(=O)N(CCC[NH+]1CCOCC1)c1nc2ccc(C)cc2s1 ZINC000023128224 559017760 /nfs/dbraw/zinc/01/77/60/559017760.db2.gz OWHZMKRHANBNDU-UHFFFAOYSA-N 1 2 413.547 3.190 50 0 HGAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)CCCc1cccs1)CC2 ZINC000095504496 559082874 /nfs/dbraw/zinc/08/28/74/559082874.db2.gz MAXIFMCBUOTLGB-UHFFFAOYSA-N 1 2 400.548 3.107 50 0 HGAALO Cc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)[C@H]3CCOC3)CC2)c1 ZINC000096317278 559109741 /nfs/dbraw/zinc/10/97/41/559109741.db2.gz QGAPLWRNKGKHHY-NRFANRHFSA-N 1 2 420.557 3.247 50 0 HGAALO CC[C@@H](C)c1nc(N2CCN(C(=O)COC)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000096317089 559109749 /nfs/dbraw/zinc/10/97/49/559109749.db2.gz MAUMNHTZTPKAHT-MRXNPFEDSA-N 1 2 414.525 3.323 50 0 HGAALO O=C1C[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000097759520 559121043 /nfs/dbraw/zinc/12/10/43/559121043.db2.gz UUNJRJIYKFBNDH-GOSISDBHSA-N 1 2 404.297 3.448 50 0 HGAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000100025979 559128722 /nfs/dbraw/zinc/12/87/22/559128722.db2.gz APUPMQKPFQFEMY-JOCHJYFZSA-N 1 2 403.457 3.433 50 0 HGAALO CCOC(=O)c1ccc(N2C(=O)C[C@@H](SCCc3[nH]c4ccccc4[nH+]3)C2=O)cc1 ZINC000100159441 559131367 /nfs/dbraw/zinc/13/13/67/559131367.db2.gz CGOQNMVYAPOTLF-GOSISDBHSA-N 1 2 423.494 3.347 50 0 HGAALO O=C(CCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)c1ccc2c(c1)CCC2 ZINC000014022990 559143883 /nfs/dbraw/zinc/14/38/83/559143883.db2.gz PAGTUSLOWQZUFV-UHFFFAOYSA-N 1 2 418.537 3.418 50 0 HGAALO COC(=O)CCC[NH+]1CCN(C(=O)c2sc(-c3ccccc3)cc2OC)CC1 ZINC000079022522 560541395 /nfs/dbraw/zinc/54/13/95/560541395.db2.gz ZMFMMYNANOPUNG-UHFFFAOYSA-N 1 2 402.516 3.135 50 0 HGAALO O=C(Nc1nc(-c2ccco2)cs1)[C@@H]1CCCN(c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000062022884 560567515 /nfs/dbraw/zinc/56/75/15/560567515.db2.gz GHUDJPZLMUPWGS-CQSZACIVSA-N 1 2 421.486 3.234 50 0 HGAALO CC(C)(C)OC(=O)NC1CC[NH+](Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000583648291 560778908 /nfs/dbraw/zinc/77/89/08/560778908.db2.gz OSHIUPVEAHKAIK-HXUWFJFHSA-N 1 2 413.522 3.039 50 0 HGAALO CCCCCc1c(O)nc(SCC[NH+]2CCOCC2)n(-c2ccccc2)c1=O ZINC000102524924 560816071 /nfs/dbraw/zinc/81/60/71/560816071.db2.gz BRFXGVPNOWLQRI-UHFFFAOYSA-N 1 2 403.548 3.095 50 0 HGAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1SC[C@H]1CCCO1 ZINC000012225034 560894062 /nfs/dbraw/zinc/89/40/62/560894062.db2.gz OTBPSZNWJIQFPV-GOSISDBHSA-N 1 2 413.543 3.119 50 0 HGAALO COCCOc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000108150185 560898173 /nfs/dbraw/zinc/89/81/73/560898173.db2.gz KBLYSQCYCYLNHD-SFTDATJTSA-N 1 2 418.921 3.167 50 0 HGAALO COCCOc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000108150185 560898174 /nfs/dbraw/zinc/89/81/74/560898174.db2.gz KBLYSQCYCYLNHD-SFTDATJTSA-N 1 2 418.921 3.167 50 0 HGAALO COc1ccc(OCC[NH+]2CCN(Cc3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000048289882 568435110 /nfs/dbraw/zinc/43/51/10/568435110.db2.gz FRHZRMZFNOPTRT-UHFFFAOYSA-N 1 2 408.502 3.250 50 0 HGAALO Cc1ccc2c(c1)C[N@@H+](CC(=O)NCc1cnn(Cc3ccccc3)c1)C[C@H](C)O2 ZINC000014952076 568470794 /nfs/dbraw/zinc/47/07/94/568470794.db2.gz ICIADFNHUOSASX-IBGZPJMESA-N 1 2 404.514 3.139 50 0 HGAALO Cc1ccc2c(c1)C[N@H+](CC(=O)NCc1cnn(Cc3ccccc3)c1)C[C@H](C)O2 ZINC000014952076 568470795 /nfs/dbraw/zinc/47/07/95/568470795.db2.gz ICIADFNHUOSASX-IBGZPJMESA-N 1 2 404.514 3.139 50 0 HGAALO COC(=O)C[C@@H](c1cccc(Cl)c1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604419404 568493158 /nfs/dbraw/zinc/49/31/58/568493158.db2.gz LUNCVIQUTVUTPH-KRWDZBQOSA-N 1 2 415.877 3.177 50 0 HGAALO COC(=O)C[C@@H](c1cccc(Cl)c1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604419404 568493160 /nfs/dbraw/zinc/49/31/60/568493160.db2.gz LUNCVIQUTVUTPH-KRWDZBQOSA-N 1 2 415.877 3.177 50 0 HGAALO COc1ccc(CN2CC[NH+]([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1OC ZINC000095347363 568599862 /nfs/dbraw/zinc/59/98/62/568599862.db2.gz TUWNTWNPAAKTGJ-XMMPIXPASA-N 1 2 423.557 3.185 50 0 HGAALO COc1ccc(C[NH+]2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1OC ZINC000095347363 568599864 /nfs/dbraw/zinc/59/98/64/568599864.db2.gz TUWNTWNPAAKTGJ-XMMPIXPASA-N 1 2 423.557 3.185 50 0 HGAALO CC(C)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020614615 568637831 /nfs/dbraw/zinc/63/78/31/568637831.db2.gz KHVLJDCPYHLLKW-FQEVSTJZSA-N 1 2 413.493 3.190 50 0 HGAALO COc1ccccc1N1C(=O)c2ccccc2/C(=C\NCCCn2cc[nH+]c2)C1=O ZINC000020665190 568639587 /nfs/dbraw/zinc/63/95/87/568639587.db2.gz BFJNNDXCVFYHCF-XDJHFCHBSA-N 1 2 402.454 3.100 50 0 HGAALO COc1ccc([C@H]2C(C(=O)N(C)C)=C(C)Nc3[nH+]c4ccccc4n32)c(OC)c1OC ZINC000020754505 568641479 /nfs/dbraw/zinc/64/14/79/568641479.db2.gz MVRXQHPEOWNZNV-IBGZPJMESA-N 1 2 422.485 3.439 50 0 HGAALO O=C(NCC[NH+]1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000020902822 568650357 /nfs/dbraw/zinc/65/03/57/568650357.db2.gz GWZZTEQZYUEHEE-UHFFFAOYSA-N 1 2 410.905 3.255 50 0 HGAALO CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC(=O)Nc1ccccc1 ZINC000020932357 568651852 /nfs/dbraw/zinc/65/18/52/568651852.db2.gz XKSAFHHSTKCKNP-IBGZPJMESA-N 1 2 412.486 3.195 50 0 HGAALO CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000020932357 568651856 /nfs/dbraw/zinc/65/18/56/568651856.db2.gz XKSAFHHSTKCKNP-IBGZPJMESA-N 1 2 412.486 3.195 50 0 HGAALO C[C@H](NC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)c1ccc2c(c1)OCCO2 ZINC000021158636 568674020 /nfs/dbraw/zinc/67/40/20/568674020.db2.gz FNDRCMWHCLKTHG-HNNXBMFYSA-N 1 2 406.486 3.428 50 0 HGAALO CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000095996547 568679069 /nfs/dbraw/zinc/67/90/69/568679069.db2.gz CZBHRVXNTWUZRB-UHFFFAOYSA-N 1 2 419.551 3.285 50 0 HGAALO CC(C)Cc1[nH]c2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2[nH+]1 ZINC000096114078 568693692 /nfs/dbraw/zinc/69/36/92/568693692.db2.gz DVEFZBCEJKEDMX-SFHVURJKSA-N 1 2 419.485 3.231 50 0 biogenic HGAALO Cc1nnc(NC(=O)C2CCN(c3cc(-n4ccc5ccccc54)nc[nH+]3)CC2)s1 ZINC000096124045 568700624 /nfs/dbraw/zinc/70/06/24/568700624.db2.gz UXYCYMPIWFYOOI-UHFFFAOYSA-N 1 2 419.514 3.436 50 0 HGAALO COc1ccccc1[C@H](CC(=O)NCC[NH+]1CCOCC1)c1c[nH]c2ccccc21 ZINC000096278887 568716968 /nfs/dbraw/zinc/71/69/68/568716968.db2.gz WXOMZLKMNFDCOC-FQEVSTJZSA-N 1 2 407.514 3.147 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)N1CC[NH+](CC)CC1)S2 ZINC000022578028 568770077 /nfs/dbraw/zinc/77/00/77/568770077.db2.gz KKVMNPBABXWCIA-INIZCTEOSA-N 1 2 405.955 3.439 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccccc1Cl)N1CC[NH+](CC)CC1)S2 ZINC000022578004 568770106 /nfs/dbraw/zinc/77/01/06/568770106.db2.gz HHLCRLOFFCOWAD-INIZCTEOSA-N 1 2 405.955 3.439 50 0 HGAALO C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000025528080 568773913 /nfs/dbraw/zinc/77/39/13/568773913.db2.gz RVKXPAGIGXXXRJ-QGZVFWFLSA-N 1 2 418.497 3.108 50 0 HGAALO CCOc1ccc(N2C[C@@H](C(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3)CC2=O)cc1 ZINC000029070908 568817745 /nfs/dbraw/zinc/81/77/45/568817745.db2.gz IFQJYQVFCGKHEF-PGRDOPGGSA-N 1 2 418.497 3.078 50 0 HGAALO C[C@@H]1CCCC[C@H]1OCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000057343448 568827307 /nfs/dbraw/zinc/82/73/07/568827307.db2.gz WWFZWNBNYAGYJA-CZUORRHYSA-N 1 2 409.328 3.491 50 0 HGAALO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415460 568834168 /nfs/dbraw/zinc/83/41/68/568834168.db2.gz QGQJEAGKNQMRNY-JOCHJYFZSA-N 1 2 423.513 3.388 50 0 HGAALO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415460 568834169 /nfs/dbraw/zinc/83/41/69/568834169.db2.gz QGQJEAGKNQMRNY-JOCHJYFZSA-N 1 2 423.513 3.388 50 0 HGAALO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415460 568834172 /nfs/dbraw/zinc/83/41/72/568834172.db2.gz QGQJEAGKNQMRNY-JOCHJYFZSA-N 1 2 423.513 3.388 50 0 HGAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415460 568834174 /nfs/dbraw/zinc/83/41/74/568834174.db2.gz QGQJEAGKNQMRNY-JOCHJYFZSA-N 1 2 423.513 3.388 50 0 HGAALO C[N@@H+]1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2n[nH]c(=S)n32)C1 ZINC000005981564 568834250 /nfs/dbraw/zinc/83/42/50/568834250.db2.gz AOHKOEKMBKEQMT-UHFFFAOYSA-N 1 2 403.920 3.399 50 0 HGAALO C[N@H+]1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2n[nH]c(=S)n32)C1 ZINC000005981564 568834251 /nfs/dbraw/zinc/83/42/51/568834251.db2.gz AOHKOEKMBKEQMT-UHFFFAOYSA-N 1 2 403.920 3.399 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)c1 ZINC000012556846 568855975 /nfs/dbraw/zinc/85/59/75/568855975.db2.gz XYGHQSXGYKUMJT-UHFFFAOYSA-N 1 2 415.563 3.428 50 0 HGAALO CN(CCc1ccccc1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000012587418 568867473 /nfs/dbraw/zinc/86/74/73/568867473.db2.gz AAHLDZRPGIISLY-XMMPIXPASA-N 1 2 415.537 3.231 50 0 HGAALO CN(CCc1ccccc1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000012587418 568867474 /nfs/dbraw/zinc/86/74/74/568867474.db2.gz AAHLDZRPGIISLY-XMMPIXPASA-N 1 2 415.537 3.231 50 0 HGAALO COc1ccc([C@H](NC(=O)Cc2ccc(N3CCCC3=O)cc2)c2[nH+]ccn2C)cc1 ZINC000012601351 568870110 /nfs/dbraw/zinc/87/01/10/568870110.db2.gz UXTMALSCSMBMHK-QHCPKHFHSA-N 1 2 418.497 3.004 50 0 HGAALO COC(=O)c1cn([C@@H](Cc2ccccc2)c2[nH]c3ccccc3[nH+]2)cc2c(=O)[nH]nc1-2 ZINC000263588135 568883507 /nfs/dbraw/zinc/88/35/07/568883507.db2.gz PLXWOXLQKQAQDG-IBGZPJMESA-N 1 2 413.437 3.171 50 0 HGAALO CC(=O)Nc1ccc2nc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2c1 ZINC000670442803 568902485 /nfs/dbraw/zinc/90/24/85/568902485.db2.gz JASGGCZVEUVOMJ-UHFFFAOYSA-N 1 2 418.497 3.240 50 0 HGAALO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000012698576 568917076 /nfs/dbraw/zinc/91/70/76/568917076.db2.gz KOOBMYBGIJNCIR-MRXNPFEDSA-N 1 2 419.481 3.144 50 0 HGAALO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000012698576 568917078 /nfs/dbraw/zinc/91/70/78/568917078.db2.gz KOOBMYBGIJNCIR-MRXNPFEDSA-N 1 2 419.481 3.144 50 0 HGAALO COc1ccc2c(C)c(CCC(=O)NCc3ccc(N4CCCC4)[nH+]c3)c(=O)oc2c1 ZINC000031316076 568923003 /nfs/dbraw/zinc/92/30/03/568923003.db2.gz BNYLVDJQQMSLDB-UHFFFAOYSA-N 1 2 421.497 3.354 50 0 HGAALO O=S(=O)(c1ccccc1Cl)N1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000031534301 568927751 /nfs/dbraw/zinc/92/77/51/568927751.db2.gz AUAXQBBYVBAVNK-UHFFFAOYSA-N 1 2 416.934 3.032 50 0 HGAALO CCC(CC)[C@@H](CCNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1)OC ZINC000084727345 568957232 /nfs/dbraw/zinc/95/72/32/568957232.db2.gz KMOYUNQPZJPPAJ-HXUWFJFHSA-N 1 2 419.547 3.454 50 0 HGAALO COc1ccc(C[N@@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)c(F)c1 ZINC000104337630 569008401 /nfs/dbraw/zinc/00/84/01/569008401.db2.gz LMPKJMQMMGFAFN-QGZVFWFLSA-N 1 2 408.901 3.262 50 0 HGAALO COc1ccc(C[N@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)c(F)c1 ZINC000104337630 569008402 /nfs/dbraw/zinc/00/84/02/569008402.db2.gz LMPKJMQMMGFAFN-QGZVFWFLSA-N 1 2 408.901 3.262 50 0 HGAALO COc1ccc(CN2CC[N@H+](Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)c(F)c1 ZINC000104337630 569008403 /nfs/dbraw/zinc/00/84/03/569008403.db2.gz LMPKJMQMMGFAFN-QGZVFWFLSA-N 1 2 408.901 3.262 50 0 HGAALO COc1ccc(CN2CC[N@@H+](Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)c(F)c1 ZINC000104337630 569008404 /nfs/dbraw/zinc/00/84/04/569008404.db2.gz LMPKJMQMMGFAFN-QGZVFWFLSA-N 1 2 408.901 3.262 50 0 HGAALO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc2cccc(F)c2)c(C)c1 ZINC000012870910 569013239 /nfs/dbraw/zinc/01/32/39/569013239.db2.gz AVKXRFMSOHZIPE-OAHLLOKOSA-N 1 2 400.454 3.050 50 0 HGAALO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(F)c2)c(C)c1 ZINC000012870910 569013240 /nfs/dbraw/zinc/01/32/40/569013240.db2.gz AVKXRFMSOHZIPE-OAHLLOKOSA-N 1 2 400.454 3.050 50 0 HGAALO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c(C)c1 ZINC000035430745 569036735 /nfs/dbraw/zinc/03/67/35/569036735.db2.gz OUTFOYHTWPNNIR-UHFFFAOYSA-N 1 2 418.541 3.270 50 0 biogenic HGAALO O=C(CC1CCN(C(=O)Nc2ccccc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000035479844 569038634 /nfs/dbraw/zinc/03/86/34/569038634.db2.gz REGDVIDFQUYFLP-UHFFFAOYSA-N 1 2 407.518 3.064 50 0 HGAALO CC(C)Sc1ccc(CC(=O)N2CCCSC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000090609149 569042415 /nfs/dbraw/zinc/04/24/15/569042415.db2.gz WLFYSNDLIZPGNQ-IBGZPJMESA-N 1 2 408.633 3.396 50 0 HGAALO COc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4cc[nH+]c4)ncn3)cc2)c1 ZINC000035598114 569045862 /nfs/dbraw/zinc/04/58/62/569045862.db2.gz BBZGQWUCOMTIHY-UHFFFAOYSA-N 1 2 422.470 3.215 50 0 HGAALO COc1ccccc1[C@H](CC(=O)NCC[NH+]1CCOCC1)c1cn(C)c2ccccc12 ZINC000035579722 569046125 /nfs/dbraw/zinc/04/61/25/569046125.db2.gz UULOYZKSJBYLIB-NRFANRHFSA-N 1 2 421.541 3.157 50 0 HGAALO CSCC[C@H]1NC(=O)N(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)C1=O ZINC000239338783 569054219 /nfs/dbraw/zinc/05/42/19/569054219.db2.gz LFHAOFCCCYHKFQ-CJNGLKHVSA-N 1 2 407.586 3.388 50 0 HGAALO CSCC[C@H]1NC(=O)N(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)C1=O ZINC000239338783 569054220 /nfs/dbraw/zinc/05/42/20/569054220.db2.gz LFHAOFCCCYHKFQ-CJNGLKHVSA-N 1 2 407.586 3.388 50 0 HGAALO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000239347281 569054246 /nfs/dbraw/zinc/05/42/46/569054246.db2.gz MQGMAMITYMZION-UXHICEINSA-N 1 2 421.497 3.105 50 0 HGAALO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000239347281 569054247 /nfs/dbraw/zinc/05/42/47/569054247.db2.gz MQGMAMITYMZION-UXHICEINSA-N 1 2 421.497 3.105 50 0 HGAALO C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)NCC[NH+]2CCOCC2)[C@H]1C ZINC000241644577 569054845 /nfs/dbraw/zinc/05/48/45/569054845.db2.gz PRWBCGNKRFMUQI-HBFSDRIKSA-N 1 2 417.550 3.084 50 0 HGAALO Cc1noc(C)c1CNC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426503906 569073175 /nfs/dbraw/zinc/07/31/75/569073175.db2.gz BSBAYEVRNFKEMZ-UHFFFAOYSA-N 1 2 400.504 3.446 50 0 HGAALO Cc1noc(C)c1CNC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426503906 569073176 /nfs/dbraw/zinc/07/31/76/569073176.db2.gz BSBAYEVRNFKEMZ-UHFFFAOYSA-N 1 2 400.504 3.446 50 0 HGAALO CCNC(=S)N1CCC2(CC1)[NH2+][C@H](C(C)C)C(=O)N2[C@@H](C)CCc1ccccc1 ZINC000036024409 569077498 /nfs/dbraw/zinc/07/74/98/569077498.db2.gz ZEFSAAFDDGJVIQ-AZUAARDMSA-N 1 2 416.635 3.151 50 0 HGAALO CC[C@H](C)N1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1ccccc1)CC2 ZINC000036026464 569079555 /nfs/dbraw/zinc/07/95/55/569079555.db2.gz RIEWZACFZYJPCG-UGKGYDQZSA-N 1 2 405.542 3.461 50 0 HGAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](c2ccccc2)C2Sc3nc(CC)nn3C2=O)C1 ZINC000036104784 569092631 /nfs/dbraw/zinc/09/26/31/569092631.db2.gz QUXMOPZEVORLNA-DOTOQJQBSA-N 1 2 414.531 3.423 50 0 HGAALO CCOC(=O)[C@H]1CCC[N@H+]([C@H](c2ccccc2)C2Sc3nc(CC)nn3C2=O)C1 ZINC000036104784 569092632 /nfs/dbraw/zinc/09/26/32/569092632.db2.gz QUXMOPZEVORLNA-DOTOQJQBSA-N 1 2 414.531 3.423 50 0 HGAALO Cc1cccc(C(=O)N2CC[NH+]([C@@H](C(=O)NCc3ccccn3)C3CCCC3)CC2)c1 ZINC000036253569 569119994 /nfs/dbraw/zinc/11/99/94/569119994.db2.gz UULUXMBOYFTESX-HSZRJFAPSA-N 1 2 420.557 3.023 50 0 HGAALO CC[C@@H](C)CNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036254348 569120147 /nfs/dbraw/zinc/12/01/47/569120147.db2.gz UXHPIROPJZLDQQ-UTKZUKDTSA-N 1 2 403.542 3.305 50 0 HGAALO CC[C@@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036254344 569120161 /nfs/dbraw/zinc/12/01/61/569120161.db2.gz UXHPIROPJZLDQQ-DYESRHJHSA-N 1 2 403.542 3.305 50 0 HGAALO Cc1ccc2c(=O)c3c([nH]c2c1C)CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)C3 ZINC000065034857 569158141 /nfs/dbraw/zinc/15/81/41/569158141.db2.gz VLCTUKAOMZAFQS-UHFFFAOYSA-N 1 2 409.917 3.473 50 0 HGAALO Cc1ccc2c(=O)c3c([nH]c2c1C)CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C3 ZINC000065034857 569158143 /nfs/dbraw/zinc/15/81/43/569158143.db2.gz VLCTUKAOMZAFQS-UHFFFAOYSA-N 1 2 409.917 3.473 50 0 HGAALO Cc1cccc(-n2c(SCc3cn4ccccc4[nH+]3)nnc2N2CCOCC2)c1 ZINC000006935191 569186079 /nfs/dbraw/zinc/18/60/79/569186079.db2.gz AIOCLHONDJIPBD-UHFFFAOYSA-N 1 2 406.515 3.352 50 0 HGAALO COc1ccc(C[N@@H+]2CCc3oc(C)c(C(=O)N(C)Cc4cn(C)nc4C)c3C2)cc1 ZINC000065289729 569217994 /nfs/dbraw/zinc/21/79/94/569217994.db2.gz MJJLDXYWMHBTFD-UHFFFAOYSA-N 1 2 422.529 3.469 50 0 HGAALO COc1ccc(C[N@H+]2CCc3oc(C)c(C(=O)N(C)Cc4cn(C)nc4C)c3C2)cc1 ZINC000065289729 569217995 /nfs/dbraw/zinc/21/79/95/569217995.db2.gz MJJLDXYWMHBTFD-UHFFFAOYSA-N 1 2 422.529 3.469 50 0 HGAALO Cn1c(SCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nnc1-c1ccccc1 ZINC000170605517 569244308 /nfs/dbraw/zinc/24/43/08/569244308.db2.gz WHNPULPECBCNLD-UHFFFAOYSA-N 1 2 403.552 3.127 50 0 HGAALO O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000170610264 569245598 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558368400 /nfs/dbraw/zinc/36/84/00/558368400.db2.gz QCKILRIBGRPUDX-QHCPKHFHSA-N 1 2 405.542 3.092 50 0 HGAALO COc1cc(OC)cc([C@@H](NS(=O)(=O)c2ccc(C)cc2C)c2[nH+]ccn2C)c1 ZINC000010747823 558436349 /nfs/dbraw/zinc/43/63/49/558436349.db2.gz TZCQEIFLMJUBPN-HXUWFJFHSA-N 1 2 415.515 3.122 50 0 HGAALO Cn1ncc2c1nc[nH+]c2SCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000021754628 558447567 /nfs/dbraw/zinc/44/75/67/558447567.db2.gz BHNDQGKDQRZZNG-CQSZACIVSA-N 1 2 424.511 3.488 50 0 HGAALO CCc1ccc(Nc2nnc(S[C@@H](C)C(=O)N3CC[NH+](CC)CC3)s2)cc1 ZINC000021746661 558447657 /nfs/dbraw/zinc/44/76/57/558447657.db2.gz RSSZHTHPSRBBPK-AWEZNQCLSA-N 1 2 405.593 3.489 50 0 HGAALO CC[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012790055 558464880 /nfs/dbraw/zinc/46/48/80/558464880.db2.gz YVXTZNUNAKIPLH-SFHVURJKSA-N 1 2 406.452 3.317 50 0 HGAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCNC(=O)NCc3ccccc3)n2)C1 ZINC000012793555 558467081 /nfs/dbraw/zinc/46/70/81/558467081.db2.gz SXPNJYLYNAETGD-MRXNPFEDSA-N 1 2 415.563 3.203 50 0 HGAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCNC(=O)NCc3ccccc3)n2)C1 ZINC000012793555 558467082 /nfs/dbraw/zinc/46/70/82/558467082.db2.gz SXPNJYLYNAETGD-MRXNPFEDSA-N 1 2 415.563 3.203 50 0 HGAALO CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022238287 558471426 /nfs/dbraw/zinc/47/14/26/558471426.db2.gz ZVDVUKRLCBLQTK-HXUWFJFHSA-N 1 2 414.575 3.451 50 0 HGAALO CC(=O)c1cc2c(cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc3c(c1)OCCO3)OCO2 ZINC000012801221 558471818 /nfs/dbraw/zinc/47/18/18/558471818.db2.gz BHALDFRKHJJJIF-SFHVURJKSA-N 1 2 424.453 3.165 50 0 HGAALO CC(=O)c1cc2c(cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc3c(c1)OCCO3)OCO2 ZINC000012801221 558471820 /nfs/dbraw/zinc/47/18/20/558471820.db2.gz BHALDFRKHJJJIF-SFHVURJKSA-N 1 2 424.453 3.165 50 0 HGAALO CC(C)N(C(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)c1ccccc1 ZINC000022406648 558487658 /nfs/dbraw/zinc/48/76/58/558487658.db2.gz NTLNKDDIMUPGNS-HSZRJFAPSA-N 1 2 405.542 3.477 50 0 HGAALO CC(C)N(C(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)c1ccccc1 ZINC000022406648 558487665 /nfs/dbraw/zinc/48/76/65/558487665.db2.gz NTLNKDDIMUPGNS-HSZRJFAPSA-N 1 2 405.542 3.477 50 0 HGAALO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022783015 558510244 /nfs/dbraw/zinc/51/02/44/558510244.db2.gz VYYSZMUBFPPVGD-KZNAEPCWSA-N 1 2 420.985 3.074 50 0 HGAALO COc1ccc(OC)c(C[NH+]2CCN(Cn3nc(-c4ccco4)oc3=S)CC2)c1 ZINC000022874550 558518356 /nfs/dbraw/zinc/51/83/56/558518356.db2.gz XSTQRRMSSHXRNE-UHFFFAOYSA-N 1 2 416.503 3.258 50 0 HGAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)CC1 ZINC000023243489 558545351 /nfs/dbraw/zinc/54/53/51/558545351.db2.gz WBOMYBATRSRSSP-INIZCTEOSA-N 1 2 411.531 3.172 50 0 HGAALO CCCn1ncc(C[N@@H+]2CCN(Cc3ccccc3OCC)[C@@H](CCO)C2)c1C ZINC000023359698 558551689 /nfs/dbraw/zinc/55/16/89/558551689.db2.gz SSJDCUGXIXDIMK-QFIPXVFZSA-N 1 2 400.567 3.069 50 0 HGAALO CCCn1ncc(C[N@H+]2CCN(Cc3ccccc3OCC)[C@@H](CCO)C2)c1C ZINC000023359698 558551693 /nfs/dbraw/zinc/55/16/93/558551693.db2.gz SSJDCUGXIXDIMK-QFIPXVFZSA-N 1 2 400.567 3.069 50 0 HGAALO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(Cc3csc(C)n3)CC2)c(F)c1 ZINC000023373614 558553514 /nfs/dbraw/zinc/55/35/14/558553514.db2.gz ONUIORYQICZNMV-UHFFFAOYSA-N 1 2 401.511 3.307 50 0 HGAALO OCC[C@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CCN1Cc1ccc(F)cc1 ZINC000023374348 558554025 /nfs/dbraw/zinc/55/40/25/558554025.db2.gz HUXXTRDVXKTDSN-QHCPKHFHSA-N 1 2 412.484 3.219 50 0 HGAALO OCC[C@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CCN1Cc1ccc(F)cc1 ZINC000023374348 558554029 /nfs/dbraw/zinc/55/40/29/558554029.db2.gz HUXXTRDVXKTDSN-QHCPKHFHSA-N 1 2 412.484 3.219 50 0 HGAALO O=C(c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000023409496 558557518 /nfs/dbraw/zinc/55/75/18/558557518.db2.gz ODISWDNDLIEURG-QGZVFWFLSA-N 1 2 409.313 3.191 50 0 HGAALO Cc1[nH]c(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)c(C)c1C(=O)OC(C)C ZINC000023441776 558558481 /nfs/dbraw/zinc/55/84/81/558558481.db2.gz JJUYGLWSZNYOOO-UHFFFAOYSA-N 1 2 401.482 3.294 50 0 HGAALO O=C(c1cc2ccccc2oc1=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000023642456 558564592 /nfs/dbraw/zinc/56/45/92/558564592.db2.gz LVAITWCAYWTNHF-UHFFFAOYSA-N 1 2 412.873 3.283 50 0 HGAALO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCn3cc[nH+]c3)c2C)cc1 ZINC000013679534 558565772 /nfs/dbraw/zinc/56/57/72/558565772.db2.gz XBVUATREGUHNFS-UHFFFAOYSA-N 1 2 412.515 3.121 50 0 HGAALO C[C@@H](OC[C@H](O)C[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000013683052 558567753 /nfs/dbraw/zinc/56/77/53/558567753.db2.gz KTOLXAREESXCQJ-RHSMWYFYSA-N 1 2 401.894 3.147 50 0 HGAALO C[C@@H](OC[C@H](O)C[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000013683052 558567755 /nfs/dbraw/zinc/56/77/55/558567755.db2.gz KTOLXAREESXCQJ-RHSMWYFYSA-N 1 2 401.894 3.147 50 0 HGAALO COc1ccccc1[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)[NH+](C)C ZINC000023794666 558576013 /nfs/dbraw/zinc/57/60/13/558576013.db2.gz INWUAVHQKSRWJQ-INIZCTEOSA-N 1 2 400.862 3.488 50 0 HGAALO Cc1nn(-c2ccccc2)c2sc(C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)cc12 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IUBNFVGMYPSWFX-UHFFFAOYSA-N 1 2 420.494 3.266 50 0 HGAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000024980375 558624168 /nfs/dbraw/zinc/62/41/68/558624168.db2.gz WBQVMJHLIHYWPO-OAHLLOKOSA-N 1 2 402.930 3.106 50 0 HGAALO O=C(c1ccco1)N1CC[NH+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000025329350 558638477 /nfs/dbraw/zinc/63/84/77/558638477.db2.gz WJCVNKWTLBYTQI-JOCHJYFZSA-N 1 2 420.509 3.205 50 0 HGAALO COc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1N1CCCC1=O ZINC000069968839 558663185 /nfs/dbraw/zinc/66/31/85/558663185.db2.gz QQMABOINEYOFRV-UHFFFAOYSA-N 1 2 405.458 3.329 50 0 HGAALO CS(=O)(=O)Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000027344594 558672247 /nfs/dbraw/zinc/67/22/47/558672247.db2.gz VOFHURDHUUJSLV-HXUWFJFHSA-N 1 2 420.962 3.452 50 0 HGAALO CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000027344599 558672306 /nfs/dbraw/zinc/67/23/06/558672306.db2.gz VOFHURDHUUJSLV-FQEVSTJZSA-N 1 2 420.962 3.452 50 0 HGAALO Cc1c[nH]c(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)[nH+]1 ZINC000015063783 558706553 /nfs/dbraw/zinc/70/65/53/558706553.db2.gz PZNDVXRJFJIJGX-UHFFFAOYSA-N 1 2 419.595 3.311 50 0 HGAALO COc1cccc([C@H](NC(=O)c2cncc(Br)c2)c2[nH+]ccn2C)c1 ZINC000029092787 558709977 /nfs/dbraw/zinc/70/99/77/558709977.db2.gz ZVABBLAMRRXUTK-INIZCTEOSA-N 1 2 401.264 3.106 50 0 HGAALO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000029220281 558712028 /nfs/dbraw/zinc/71/20/28/558712028.db2.gz XJPUYENWWBZRSN-UHFFFAOYSA-N 1 2 408.849 3.220 50 0 HGAALO Cc1cccn2cc(CN3CCN(C(=O)c4cc5cc(F)ccc5[nH]4)CCC3=O)[nH+]c12 ZINC000015071874 558713204 /nfs/dbraw/zinc/71/32/04/558713204.db2.gz MVEBBGFWVPAVOZ-UHFFFAOYSA-N 1 2 419.460 3.138 50 0 HGAALO COc1cc(OC)c(C2=CC[N@H+](Cc3cc(=O)n4ccsc4n3)CC2)c(OC)c1 ZINC000011060910 558721767 /nfs/dbraw/zinc/72/17/67/558721767.db2.gz NYHCJZCGAHWADY-UHFFFAOYSA-N 1 2 413.499 3.071 50 0 HGAALO COc1cc(OC)c(C2=CC[N@@H+](Cc3cc(=O)n4ccsc4n3)CC2)c(OC)c1 ZINC000011060910 558721769 /nfs/dbraw/zinc/72/17/69/558721769.db2.gz NYHCJZCGAHWADY-UHFFFAOYSA-N 1 2 413.499 3.071 50 0 HGAALO NC(=O)c1cccc(CNC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)c1 ZINC000072306933 558766253 /nfs/dbraw/zinc/76/62/53/558766253.db2.gz YOTGMNDYPXTVRZ-GOSISDBHSA-N 1 2 416.319 3.001 50 0 HGAALO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000072308898 558771753 /nfs/dbraw/zinc/77/17/53/558771753.db2.gz NNKHRWCKOPQUPW-HNNXBMFYSA-N 1 2 411.428 3.142 50 0 HGAALO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000072308898 558771754 /nfs/dbraw/zinc/77/17/54/558771754.db2.gz NNKHRWCKOPQUPW-HNNXBMFYSA-N 1 2 411.428 3.142 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000004584885 558780290 /nfs/dbraw/zinc/78/02/90/558780290.db2.gz UEEQKIKYSPIFOC-QGZVFWFLSA-N 1 2 414.531 3.296 50 0 HGAALO O=C(Nc1ccccc1Cl)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528669 558812179 /nfs/dbraw/zinc/81/21/79/558812179.db2.gz FWHJBBGCDMAQPB-UHFFFAOYSA-N 1 2 400.914 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ZINC000019229093 558853132 /nfs/dbraw/zinc/85/31/32/558853132.db2.gz ZAVMIISQYNFGPZ-QGZVFWFLSA-N 1 2 403.571 3.135 50 0 HGAALO COc1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)c(OC)c1 ZINC000033072181 558866771 /nfs/dbraw/zinc/86/67/71/558866771.db2.gz YHSDEDRYWAYRIE-KRWDZBQOSA-N 1 2 408.502 3.421 50 0 HGAALO COc1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)c(OC)c1 ZINC000033072181 558866773 /nfs/dbraw/zinc/86/67/73/558866773.db2.gz YHSDEDRYWAYRIE-KRWDZBQOSA-N 1 2 408.502 3.421 50 0 HGAALO C[N@H+](Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1)Cc1cccc2ccccc21 ZINC000055099488 558872351 /nfs/dbraw/zinc/87/23/51/558872351.db2.gz UBMDXCPAJGXECV-FQEVSTJZSA-N 1 2 413.543 3.251 50 0 HGAALO C[N@@H+](Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1)Cc1cccc2ccccc21 ZINC000055099488 558872353 /nfs/dbraw/zinc/87/23/53/558872353.db2.gz UBMDXCPAJGXECV-FQEVSTJZSA-N 1 2 413.543 3.251 50 0 HGAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000033106424 558874053 /nfs/dbraw/zinc/87/40/53/558874053.db2.gz 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O=C1C[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019595287 558946016 /nfs/dbraw/zinc/94/60/16/558946016.db2.gz BDTZMOHFSHVYRE-SFHVURJKSA-N 1 2 421.394 3.299 50 0 HGAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)Nc4ccc(C)cc4C)CC3)ncn2)c1C ZINC000072437403 558980729 /nfs/dbraw/zinc/98/07/29/558980729.db2.gz KHGPCPYHBJBCDS-UHFFFAOYSA-N 1 2 405.506 3.250 50 0 HGAALO O=C(Cc1ccc2c(c1)NC(=O)CO2)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000067675607 558991262 /nfs/dbraw/zinc/99/12/62/558991262.db2.gz QZAPTYWANZQCIQ-UHFFFAOYSA-N 1 2 408.502 3.042 50 0 HGAALO c1nc(-c2c(-c3ccccc3)ncn2C[C@@H](c2ccncc2)[NH+]2CCOCC2)c[nH]1 ZINC000067881264 558994429 /nfs/dbraw/zinc/99/44/29/558994429.db2.gz IXPYHNTXNMWGIJ-NRFANRHFSA-N 1 2 400.486 3.409 50 0 HGAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)ncn2)c1C ZINC000077134252 558999453 /nfs/dbraw/zinc/99/94/53/558999453.db2.gz TXJHLWPDIPSBGR-UHFFFAOYSA-N 1 2 414.872 3.034 50 0 HGAALO Cn1ccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(cccc3Cl)s2)n1 ZINC000023128153 559016434 /nfs/dbraw/zinc/01/64/34/559016434.db2.gz XUNGLSJOHYNSDB-UHFFFAOYSA-N 1 2 419.938 3.052 50 0 HGAALO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c2c1c(C)n[nH]c2=O ZINC000011293707 559050467 /nfs/dbraw/zinc/05/04/67/559050467.db2.gz ANVWXRBYIRWBPF-UHFFFAOYSA-N 1 2 408.380 3.222 50 0 HGAALO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c2c1c(C)n[nH]c2=O ZINC000011293707 559050469 /nfs/dbraw/zinc/05/04/69/559050469.db2.gz ANVWXRBYIRWBPF-UHFFFAOYSA-N 1 2 408.380 3.222 50 0 HGAALO C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023247944 559066037 /nfs/dbraw/zinc/06/60/37/559066037.db2.gz FVDMGCOPSXVNMV-CYFREDJKSA-N 1 2 419.569 3.321 50 0 HGAALO C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023247944 559066039 /nfs/dbraw/zinc/06/60/39/559066039.db2.gz FVDMGCOPSXVNMV-CYFREDJKSA-N 1 2 419.569 3.321 50 0 HGAALO O=C1CCC2(CC[NH+](Cc3noc(C4CCCC4)n3)CC2)CN1C[C@@H]1CCCO1 ZINC000091255739 559070798 /nfs/dbraw/zinc/07/07/98/559070798.db2.gz 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COc1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc(Cl)c1OC ZINC000024259453 559281138 /nfs/dbraw/zinc/28/11/38/559281138.db2.gz BZOBHLXTKJVFAH-UHFFFAOYSA-N 1 2 404.894 3.119 50 0 HGAALO Cc1n[nH]c(C2CC[NH+](CC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)CC2)n1 ZINC000078742909 560540747 /nfs/dbraw/zinc/54/07/47/560540747.db2.gz LRZMYHMTRXPIDS-FQEVSTJZSA-N 1 2 413.522 3.399 50 0 HGAALO Cc1nc(C2CC[NH+](CC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)CC2)n[nH]1 ZINC000078742909 560540748 /nfs/dbraw/zinc/54/07/48/560540748.db2.gz LRZMYHMTRXPIDS-FQEVSTJZSA-N 1 2 413.522 3.399 50 0 HGAALO Cc1nnc(C2CC[NH+](CC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)CC2)[nH]1 ZINC000078742909 560540750 /nfs/dbraw/zinc/54/07/50/560540750.db2.gz LRZMYHMTRXPIDS-FQEVSTJZSA-N 1 2 413.522 3.399 50 0 HGAALO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 ZINC000005242547 560549727 /nfs/dbraw/zinc/54/97/27/560549727.db2.gz LOJCKJUYFOTUAN-UHFFFAOYSA-N 1 2 417.556 3.217 50 0 HGAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)COC)CC2)c1Cc1cccc(C)c1 ZINC000096316827 560848755 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HGAALO CC(C)[C@@H]1[NH2+]C2(CCN(C(=O)c3cccs3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000096279812 568671498 /nfs/dbraw/zinc/67/14/98/568671498.db2.gz QEBXLPJGPGTRTE-IBGZPJMESA-N 1 2 415.534 3.476 50 0 HGAALO CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2)cc1 ZINC000095972832 568671694 /nfs/dbraw/zinc/67/16/94/568671694.db2.gz VVFDRAWTJLKTJN-OAHLLOKOSA-N 1 2 411.483 3.280 50 0 HGAALO Clc1cc(CC[NH+]2CCN(Cc3noc(C4CC4)n3)CC2)cc2c1OCCCO2 ZINC000095987266 568676627 /nfs/dbraw/zinc/67/66/27/568676627.db2.gz MPYSZLAZKVZEGW-UHFFFAOYSA-N 1 2 418.925 3.122 50 0 HGAALO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000239667410 568729834 /nfs/dbraw/zinc/72/98/34/568729834.db2.gz BPVLJGDYCTUGFX-LSDHHAIUSA-N 1 2 420.460 3.229 50 0 HGAALO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000239667410 568729837 /nfs/dbraw/zinc/72/98/37/568729837.db2.gz BPVLJGDYCTUGFX-LSDHHAIUSA-N 1 2 420.460 3.229 50 0 HGAALO CC[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1 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CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@@H+](C)Cc1ccccc1F ZINC000057697436 568858444 /nfs/dbraw/zinc/85/84/44/568858444.db2.gz NGAIXEXMNURMIT-UHFFFAOYSA-N 1 2 404.511 3.255 50 0 HGAALO CCOC(=O)c1ccsc1NC(=O)C[N@H+](CC)C[C@H]1COc2ccccc2O1 ZINC000031174537 568917133 /nfs/dbraw/zinc/91/71/33/568917133.db2.gz HFASGUQOQLVSLS-AWEZNQCLSA-N 1 2 404.488 3.025 50 0 HGAALO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](CC)C[C@H]1COc2ccccc2O1 ZINC000031174537 568917134 /nfs/dbraw/zinc/91/71/34/568917134.db2.gz HFASGUQOQLVSLS-AWEZNQCLSA-N 1 2 404.488 3.025 50 0 HGAALO Cc1cc(=O)c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000012757370 568943029 /nfs/dbraw/zinc/94/30/29/568943029.db2.gz KAZXXHPNFFBHJF-HXUWFJFHSA-N 1 2 422.916 3.323 50 0 HGAALO Cc1cc(=O)c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000012757370 568943032 /nfs/dbraw/zinc/94/30/32/568943032.db2.gz KAZXXHPNFFBHJF-HXUWFJFHSA-N 1 2 422.916 3.323 50 0 HGAALO CCOC(=O)c1c(C)[nH]c(-c2nc(NCCC[NH+]3CCOCC3)sc2C)c1C ZINC000012771536 568952011 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HGAALO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)cc1Br ZINC000012982451 569047328 /nfs/dbraw/zinc/04/73/28/569047328.db2.gz IPFYCXRYXOMYAP-NSHDSACASA-N 1 2 401.301 3.429 50 0 HGAALO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(F)cc1Br ZINC000012982451 569047329 /nfs/dbraw/zinc/04/73/29/569047329.db2.gz IPFYCXRYXOMYAP-NSHDSACASA-N 1 2 401.301 3.429 50 0 HGAALO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000036014865 569047979 /nfs/dbraw/zinc/04/79/79/569047979.db2.gz GRZPITXZFSYOPY-UHFFFAOYSA-N 1 2 402.541 3.416 50 0 HGAALO COc1ccc2cc([C@H](C)C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)ccc2c1 ZINC000013004873 569049530 /nfs/dbraw/zinc/04/95/30/569049530.db2.gz RIPGDCAXQRMPBK-KRWDZBQOSA-N 1 2 405.498 3.500 50 0 HGAALO O=C(c1ccc(Br)cc1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013017403 569050990 /nfs/dbraw/zinc/05/09/90/569050990.db2.gz GJDGNUQPFFYZNG-UHFFFAOYSA-N 1 2 421.266 3.275 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245246107 569055341 /nfs/dbraw/zinc/05/53/41/569055341.db2.gz IPYORVPWOXDUSZ-HCXYKTFWSA-N 1 2 412.848 3.314 50 0 HGAALO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245246107 569055342 /nfs/dbraw/zinc/05/53/42/569055342.db2.gz IPYORVPWOXDUSZ-HCXYKTFWSA-N 1 2 412.848 3.314 50 0 HGAALO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O ZINC000245325238 569055751 /nfs/dbraw/zinc/05/57/51/569055751.db2.gz DGCKMEPKTUBWJY-MVJPYGJCSA-N 1 2 424.884 3.184 50 0 HGAALO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O ZINC000245325238 569055752 /nfs/dbraw/zinc/05/57/52/569055752.db2.gz DGCKMEPKTUBWJY-MVJPYGJCSA-N 1 2 424.884 3.184 50 0 HGAALO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000248083365 569057602 /nfs/dbraw/zinc/05/76/02/569057602.db2.gz DNFVZNPHOQSYCX-FYQPLNBISA-N 1 2 408.885 3.484 50 0 HGAALO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000248083365 569057603 /nfs/dbraw/zinc/05/76/03/569057603.db2.gz DNFVZNPHOQSYCX-FYQPLNBISA-N 1 2 408.885 3.484 50 0 HGAALO Cc1ccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCCC2)cc1 ZINC000064611379 569071424 /nfs/dbraw/zinc/07/14/24/569071424.db2.gz NGLBCUWBWFPHCE-DEOSSOPVSA-N 1 2 405.542 3.223 50 0 HGAALO Cc1ccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCCC2)cc1 ZINC000064611379 569071425 /nfs/dbraw/zinc/07/14/25/569071425.db2.gz NGLBCUWBWFPHCE-DEOSSOPVSA-N 1 2 405.542 3.223 50 0 HGAALO Cc1ccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000064611377 569071436 /nfs/dbraw/zinc/07/14/36/569071436.db2.gz NGLBCUWBWFPHCE-XMMPIXPASA-N 1 2 405.542 3.223 50 0 HGAALO Cc1ccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000064611377 569071437 /nfs/dbraw/zinc/07/14/37/569071437.db2.gz NGLBCUWBWFPHCE-XMMPIXPASA-N 1 2 405.542 3.223 50 0 HGAALO CC[C@H](C)N1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1ccccc1)CC2 ZINC000036026466 569079527 /nfs/dbraw/zinc/07/95/27/569079527.db2.gz RIEWZACFZYJPCG-SIKLNZKXSA-N 1 2 405.542 3.461 50 0 HGAALO CC[C@H](C)CN1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)NC(C)(C)C)CC2 ZINC000036026792 569079869 /nfs/dbraw/zinc/07/98/69/569079869.db2.gz WVNIELCBHYWVMH-ICSRJNTNSA-N 1 2 414.594 3.376 50 0 HGAALO CC[C@@H](C)N1C(=O)[C@H](CC(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036032831 569079988 /nfs/dbraw/zinc/07/99/88/569079988.db2.gz LYVQWLFNUUSBBX-QUCCMNQESA-N 1 2 421.607 3.121 50 0 HGAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)NCCOc1ccc(Cl)cc1)OCCO3 ZINC000064795184 569096120 /nfs/dbraw/zinc/09/61/20/569096120.db2.gz HRJWAPRVBAFZOR-UHFFFAOYSA-N 1 2 415.877 3.219 50 0 HGAALO O=C(NCc1ccco1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036251633 569119556 /nfs/dbraw/zinc/11/95/56/569119556.db2.gz FFZKGANMGTWCQS-NRFANRHFSA-N 1 2 413.493 3.052 50 0 HGAALO O=C(c1csc(-c2ccc(N3CCCC3)nc2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065165175 569189540 /nfs/dbraw/zinc/18/95/40/569189540.db2.gz NJCNBKCGZKHDRW-UHFFFAOYSA-N 1 2 420.542 3.163 50 0 HGAALO COc1cccc(CNC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c1 ZINC000065245279 569205062 /nfs/dbraw/zinc/20/50/62/569205062.db2.gz UPDISQOWKBSBJP-QGZVFWFLSA-N 1 2 409.534 3.373 50 0 HGAALO COc1cccc(CNC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c1 ZINC000065245279 569205063 /nfs/dbraw/zinc/20/50/63/569205063.db2.gz UPDISQOWKBSBJP-QGZVFWFLSA-N 1 2 409.534 3.373 50 0 HGAALO COc1cccc(CNC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c1 ZINC000065245278 569205198 /nfs/dbraw/zinc/20/51/98/569205198.db2.gz UPDISQOWKBSBJP-KRWDZBQOSA-N 1 2 409.534 3.373 50 0 HGAALO COc1cccc(CNC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c1 ZINC000065245278 569205199 /nfs/dbraw/zinc/20/51/99/569205199.db2.gz UPDISQOWKBSBJP-KRWDZBQOSA-N 1 2 409.534 3.373 50 0 HGAALO Cc1noc(C)c1CC(=O)N1CC[C@]2(C1)[NH2+]Cc1ccccc1NC2=NC1CCCC1 ZINC000065265915 569213132 /nfs/dbraw/zinc/21/31/32/569213132.db2.gz HAFZQSIDDOSWAC-XMMPIXPASA-N 1 2 421.545 3.171 50 0 HGAALO Cc1ccc(Cl)cc1S(=O)(=O)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700323 569222915 /nfs/dbraw/zinc/22/29/15/569222915.db2.gz FYQVBNMEVAJXEG-LJQANCHMSA-N 1 2 408.951 3.390 50 0 HGAALO Cc1ccc(Cl)cc1S(=O)(=O)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700323 569222916 /nfs/dbraw/zinc/22/29/16/569222916.db2.gz FYQVBNMEVAJXEG-LJQANCHMSA-N 1 2 408.951 3.390 50 0 HGAALO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1 ZINC000007268083 569231092 /nfs/dbraw/zinc/23/10/92/569231092.db2.gz AKWMIUHADNNZNE-OAHLLOKOSA-N 1 2 418.335 3.333 50 0 HGAALO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@H](C)C(=O)NCc1ccccc1 ZINC000007268083 569231093 /nfs/dbraw/zinc/23/10/93/569231093.db2.gz AKWMIUHADNNZNE-OAHLLOKOSA-N 1 2 418.335 3.333 50 0 HGAALO C[C@H](NC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)c1ccco1 ZINC000007318513 569233384 /nfs/dbraw/zinc/23/33/84/569233384.db2.gz RBBKNVBIRFEDFD-INIZCTEOSA-N 1 2 411.531 3.426 50 0 HGAALO COc1cccc([C@H](NC(=O)c2ccc(-c3cccs3)[nH]c2=O)c2[nH+]ccn2C)c1 ZINC000065519112 569233507 /nfs/dbraw/zinc/23/35/07/569233507.db2.gz ZFXQTWYNZAZFQS-IBGZPJMESA-N 1 2 420.494 3.365 50 0 HGAALO O=C(NCCCc1[nH]cc[nH+]1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579394 569256478 /nfs/dbraw/zinc/25/64/78/569256478.db2.gz PANWXZKXHCRDFZ-QNGOZBTKSA-N 1 2 413.481 3.411 50 0 HGAALO O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000089858178 569267148 /nfs/dbraw/zinc/26/71/48/569267148.db2.gz JLLAFYWNEHASGN-BHDDXSALSA-N 1 2 419.506 3.341 50 0 HGAALO O=S(=O)(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000054534186 569288953 /nfs/dbraw/zinc/28/89/53/569288953.db2.gz RSJOSCJLLRJRCX-UHFFFAOYSA-N 1 2 406.305 3.172 50 0 HGAALO CCNC(=O)N1CC[NH+](Cc2c(-c3cccc(OC)c3)nc3sc(C)cn23)CC1 ZINC000037399508 569297511 /nfs/dbraw/zinc/29/75/11/569297511.db2.gz JXBOWPZUVXDXMF-UHFFFAOYSA-N 1 2 413.547 3.227 50 0 HGAALO OCCNc1[nH+]c2ccccc2n1Cc1cc2c(cc1Br)OCCO2 ZINC000054847360 569324809 /nfs/dbraw/zinc/32/48/09/569324809.db2.gz WIGNTUJPTZNNKU-UHFFFAOYSA-N 1 2 404.264 3.023 50 0 HGAALO O=C1C[C@@H](N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000027530852 569366288 /nfs/dbraw/zinc/36/62/88/569366288.db2.gz NTNYNOSZWQUTMQ-LJQANCHMSA-N 1 2 418.324 3.443 50 0 HGAALO CC1(C)C=C(C[NH+]2CCN(c3ccccc3)CC2)c2cc(F)cc3c2N1C(=O)C3=O ZINC000253495530 569381951 /nfs/dbraw/zinc/38/19/51/569381951.db2.gz IAJQUYWGFYECQJ-UHFFFAOYSA-N 1 2 405.473 3.353 50 0 HGAALO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2F)c1 ZINC000013058023 569408254 /nfs/dbraw/zinc/40/82/54/569408254.db2.gz YJADLZPWQDCDGG-UHFFFAOYSA-N 1 2 421.538 3.235 50 0 HGAALO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccccc2F)c1 ZINC000013058023 569408255 /nfs/dbraw/zinc/40/82/55/569408255.db2.gz YJADLZPWQDCDGG-UHFFFAOYSA-N 1 2 421.538 3.235 50 0 HGAALO C[C@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000013059642 569408393 /nfs/dbraw/zinc/40/83/93/569408393.db2.gz DAIOVZFXSGTTNF-OAQYLSRUSA-N 1 2 414.412 3.379 50 0 HGAALO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286819 571064862 /nfs/dbraw/zinc/06/48/62/571064862.db2.gz HMGYCUSVVGLUCD-HXUWFJFHSA-N 1 2 401.507 3.132 50 0 HGAALO COc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccc(C)cc1C)CC3 ZINC000067349900 571081601 /nfs/dbraw/zinc/08/16/01/571081601.db2.gz SOTQAFQASJPGRU-UHFFFAOYSA-N 1 2 405.498 3.459 50 0 HGAALO COc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccc(C)cc1C)CC3 ZINC000067349900 571081603 /nfs/dbraw/zinc/08/16/03/571081603.db2.gz SOTQAFQASJPGRU-UHFFFAOYSA-N 1 2 405.498 3.459 50 0 HGAALO O=C(NCc1noc(C[NH+]2CCC(OCc3ccccc3)CC2)n1)c1ccccc1 ZINC000040060552 571147162 /nfs/dbraw/zinc/14/71/62/571147162.db2.gz UIZZISZTEHNALU-UHFFFAOYSA-N 1 2 406.486 3.181 50 0 HGAALO Cn1ccnc1COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000040119732 571175881 /nfs/dbraw/zinc/17/58/81/571175881.db2.gz TUYPYHRSVDLYMX-UHFFFAOYSA-N 1 2 408.477 3.096 50 0 HGAALO O=C(CCCn1c(=O)oc2ccccc21)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040122063 571177935 /nfs/dbraw/zinc/17/79/35/571177935.db2.gz VJECTMJFEUJRAB-UHFFFAOYSA-N 1 2 408.502 3.467 50 0 HGAALO O=C(NCc1ccc(N2CCCCC2)nc1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000040121952 571177978 /nfs/dbraw/zinc/17/79/78/571177978.db2.gz JMKSRECKBTVIBN-UHFFFAOYSA-N 1 2 408.550 3.457 50 0 HGAALO O=C(CCNC(=O)c1cccs1)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000040145604 571195717 /nfs/dbraw/zinc/19/57/17/571195717.db2.gz SHVYMCYRWAACFO-UHFFFAOYSA-N 1 2 420.538 3.142 50 0 HGAALO CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C)CC[NH+]1CCOCC1 ZINC000069463139 571228547 /nfs/dbraw/zinc/22/85/47/571228547.db2.gz NLWOWISIAZYODQ-UHFFFAOYSA-N 1 2 407.518 3.083 50 0 HGAALO C[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc(OC(F)F)cc1 ZINC000009170942 571233844 /nfs/dbraw/zinc/23/38/44/571233844.db2.gz JZPGVRNLXJDCOZ-UHFFFAOYSA-N 1 2 423.485 3.398 50 0 HGAALO C[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc(OC(F)F)cc1 ZINC000009170942 571233846 /nfs/dbraw/zinc/23/38/46/571233846.db2.gz JZPGVRNLXJDCOZ-UHFFFAOYSA-N 1 2 423.485 3.398 50 0 HGAALO CCc1nnc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)s1 ZINC000009517654 571265395 /nfs/dbraw/zinc/26/53/95/571265395.db2.gz JAMVNUSISIWXIZ-UHFFFAOYSA-N 1 2 415.479 3.099 50 0 HGAALO Cc1ccc(NC(=O)Nc2cnc(N3CCN(c4cccc[nH+]4)CC3)nc2)cc1F ZINC000077196684 571312437 /nfs/dbraw/zinc/31/24/37/571312437.db2.gz WJHGPCLYTIWGNG-UHFFFAOYSA-N 1 2 407.453 3.290 50 0 HGAALO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000001056823 132235795 /nfs/dbraw/zinc/23/57/95/132235795.db2.gz LLCZBJBOEWZNSP-FQEVSTJZSA-N 1 2 413.905 3.193 50 0 HGAALO COc1cc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)ccc1NC(C)=O ZINC000005601980 132307059 /nfs/dbraw/zinc/30/70/59/132307059.db2.gz APZNOBYBCLANRI-UHFFFAOYSA-N 1 2 403.504 3.445 50 0 HGAALO Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000006807074 132317883 /nfs/dbraw/zinc/31/78/83/132317883.db2.gz DDAAWIBTBWSJLQ-UHFFFAOYSA-N 1 2 412.497 3.329 50 0 HGAALO CCCCCCc1c(C)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]c1=O ZINC000009484273 132340418 /nfs/dbraw/zinc/34/04/18/132340418.db2.gz AEBNWBGYQJVYNV-UHFFFAOYSA-N 1 2 412.534 3.252 50 0 HGAALO Cc1c[nH]c(CNC(=O)[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)[nH+]1 ZINC000011936776 132352422 /nfs/dbraw/zinc/35/24/22/132352422.db2.gz QJRCEVOCUMICFB-SFHVURJKSA-N 1 2 416.529 3.197 50 0 HGAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000012374550 132359223 /nfs/dbraw/zinc/35/92/23/132359223.db2.gz WAIPPTPFBHFFPL-GOSISDBHSA-N 1 2 420.296 3.153 50 0 HGAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(N(C)C)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000012639303 132365657 /nfs/dbraw/zinc/36/56/57/132365657.db2.gz GFTSAZWJEBHGTO-GOSISDBHSA-N 1 2 410.566 3.124 50 0 HGAALO CC[C@H](O)CNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@@H+](C)C3 ZINC000020547336 522820850 /nfs/dbraw/zinc/82/08/50/522820850.db2.gz GPDLYNFZECKLBP-AWEZNQCLSA-N 1 2 418.950 3.271 50 0 HGAALO CC[C@H](O)CNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@H+](C)C3 ZINC000020547336 522820863 /nfs/dbraw/zinc/82/08/63/522820863.db2.gz GPDLYNFZECKLBP-AWEZNQCLSA-N 1 2 418.950 3.271 50 0 HGAALO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[NH+]3CCOCC3)cc2O)cc1 ZINC000020592055 523076955 /nfs/dbraw/zinc/07/69/55/523076955.db2.gz NIPGIHSVDXHMBO-UHFFFAOYSA-N 1 2 409.486 3.477 50 0 HGAALO CCc1ccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)cc1 ZINC000033312767 523933451 /nfs/dbraw/zinc/93/34/51/523933451.db2.gz KLCNPWCAJISBCJ-XMMPIXPASA-N 1 2 405.542 3.087 50 0 HGAALO CCc1ccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)cc1 ZINC000033312767 523933455 /nfs/dbraw/zinc/93/34/55/523933455.db2.gz KLCNPWCAJISBCJ-XMMPIXPASA-N 1 2 405.542 3.087 50 0 HGAALO COc1cccc([C@@H](NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c2[nH+]ccn2C)c1 ZINC000032802456 524099553 /nfs/dbraw/zinc/09/95/53/524099553.db2.gz MPVWYRUQWSFXAW-JLTOFOAXSA-N 1 2 408.458 3.307 50 0 HGAALO COc1coc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1=O ZINC000040284482 524937962 /nfs/dbraw/zinc/93/79/62/524937962.db2.gz BHWLXGZADWPYGK-UHFFFAOYSA-N 1 2 404.466 3.196 50 0 HGAALO COc1ccc([C@H](NC(=O)NCc2cnn(-c3ccccc3)c2)c2[nH+]ccn2C)cc1 ZINC000032809221 525367802 /nfs/dbraw/zinc/36/78/02/525367802.db2.gz BUKURZZVSZLSOL-NRFANRHFSA-N 1 2 416.485 3.203 50 0 HGAALO Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000021935274 526610553 /nfs/dbraw/zinc/61/05/53/526610553.db2.gz OZXTWAWHMJYYMB-UHFFFAOYSA-N 1 2 408.527 3.276 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccco2)CC1)Nc1c(F)cc(F)cc1Br ZINC000032858040 526775674 /nfs/dbraw/zinc/77/56/74/526775674.db2.gz NTKZOSVAIBRFJE-UHFFFAOYSA-N 1 2 414.250 3.077 50 0 HGAALO Cn1cc[nH+]c1[C@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1 ZINC000032899735 527462823 /nfs/dbraw/zinc/46/28/23/527462823.db2.gz IKNBKGLCRSOHOD-HSZRJFAPSA-N 1 2 415.497 3.043 50 0 HGAALO OCCN1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000020535681 527553063 /nfs/dbraw/zinc/55/30/63/527553063.db2.gz OWUSKLHXJTWOIE-UHFFFAOYSA-N 1 2 416.525 3.455 50 0 HGAALO CCOc1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCCC(C)C)co3)CC2)cc1 ZINC000034678242 557366292 /nfs/dbraw/zinc/36/62/92/557366292.db2.gz UBPXBOBQKLZYCF-UHFFFAOYSA-N 1 2 414.550 3.167 50 0 HGAALO COCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2ccccc2)CC1 ZINC000034906727 557473859 /nfs/dbraw/zinc/47/38/59/557473859.db2.gz IWKZTADVKBAHKQ-UHFFFAOYSA-N 1 2 406.530 3.258 50 0 HGAALO O=C(C1CCN(c2[nH+]c3ccccc3n2CCc2ccccc2)CC1)N1CCOCC1 ZINC000034910112 557475910 /nfs/dbraw/zinc/47/59/10/557475910.db2.gz AGAKNLHDIYDAMQ-UHFFFAOYSA-N 1 2 418.541 3.354 50 0 HGAALO O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000034858778 557478190 /nfs/dbraw/zinc/47/81/90/557478190.db2.gz YXXPLTSNQUWYLI-UHFFFAOYSA-N 1 2 405.829 3.265 50 0 HGAALO O=C(NC1=[NH+]CCS1)[C@H](NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005043491 557629080 /nfs/dbraw/zinc/62/90/80/557629080.db2.gz FMRBFQUKWVQMDL-CONPEVPGSA-N 1 2 403.592 3.487 50 0 HGAALO CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000097379640 557764326 /nfs/dbraw/zinc/76/43/26/557764326.db2.gz USXPQGKQZIINHB-GDLZYMKVSA-N 1 2 414.575 3.479 50 0 HGAALO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022783051 557819595 /nfs/dbraw/zinc/81/95/95/557819595.db2.gz MGVZGFYVAKNALH-QGZVFWFLSA-N 1 2 420.985 3.076 50 0 HGAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(F)cc1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000022854080 557840830 /nfs/dbraw/zinc/84/08/30/557840830.db2.gz KDBGTGKCXKCSHI-INIZCTEOSA-N 1 2 418.494 3.126 50 0 HGAALO O=C1C[C@@H](N2CC[NH+](C/C=C\c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000097759517 558261339 /nfs/dbraw/zinc/26/13/39/558261339.db2.gz ZKZKFZJHYWQMDG-HUCIYCNJSA-N 1 2 409.917 3.303 50 0 HGAALO Cn1cc[nH+]c1CN1CCN(C(=O)C[C@@H](c2ccccc2)c2ccccc2F)CC1 ZINC000011662847 558266541 /nfs/dbraw/zinc/26/65/41/558266541.db2.gz ZXESHVFPYLMARG-NRFANRHFSA-N 1 2 406.505 3.426 50 0 HGAALO COc1ccc(C[NH+]2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1 ZINC000019781675 558281174 /nfs/dbraw/zinc/28/11/74/558281174.db2.gz GWZJWFSSVWFMPP-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO COc1ccc(CN2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1 ZINC000019781675 558281176 /nfs/dbraw/zinc/28/11/76/558281176.db2.gz GWZJWFSSVWFMPP-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1c(F)cccc1Cl)CC2 ZINC000019838358 558293289 /nfs/dbraw/zinc/29/32/89/558293289.db2.gz FJGCMKLSCNLAOW-ZDUSSCGKSA-N 1 2 417.872 3.213 50 0 HGAALO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1c(F)cccc1Cl)CC2 ZINC000019838358 558293291 /nfs/dbraw/zinc/29/32/91/558293291.db2.gz FJGCMKLSCNLAOW-ZDUSSCGKSA-N 1 2 417.872 3.213 50 0 HGAALO COc1ccc(NC(=O)CCN2CC[NH+](C/C=C/c3ccccc3)CC2)c(OC)c1 ZINC000019851338 558295595 /nfs/dbraw/zinc/29/55/95/558295595.db2.gz XPZFRQSPGQZWCH-RMKNXTFCSA-N 1 2 409.530 3.363 50 0 HGAALO CCn1cc[nH+]c1CN(C)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 ZINC000011935058 558299152 /nfs/dbraw/zinc/29/91/52/558299152.db2.gz NLGJJSCAMNLDCO-UHFFFAOYSA-N 1 2 421.423 3.487 50 0 HGAALO COC(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](C)C3)OC ZINC000020461218 558372998 /nfs/dbraw/zinc/37/29/98/558372998.db2.gz QVETUOCFIGRSDI-UHFFFAOYSA-N 1 2 417.556 3.146 50 0 HGAALO COC(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](C)C3)OC ZINC000020461218 558372999 /nfs/dbraw/zinc/37/29/99/558372999.db2.gz QVETUOCFIGRSDI-UHFFFAOYSA-N 1 2 417.556 3.146 50 0 HGAALO Cc1oc(-c2cccs2)nc1CN1CC[N@H+](Cc2cccc(C)n2)[C@@H](CCO)C1 ZINC000020909922 558421734 /nfs/dbraw/zinc/42/17/34/558421734.db2.gz IGZJRYIKLGQKHB-IBGZPJMESA-N 1 2 412.559 3.484 50 0 HGAALO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+](Cc2cccc(C)n2)[C@@H](CCO)C1 ZINC000020909922 558421737 /nfs/dbraw/zinc/42/17/37/558421737.db2.gz IGZJRYIKLGQKHB-IBGZPJMESA-N 1 2 412.559 3.484 50 0 HGAALO CC1CC[NH+](Cc2nnnn2CCCC(=O)N2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000012587676 558434652 /nfs/dbraw/zinc/43/46/52/558434652.db2.gz WYEKNIYLIXTXOK-FQEVSTJZSA-N 1 2 414.529 3.188 50 0 HGAALO Cc1ccccc1C[C@]1(CO)CCCN(C(=O)C[N@@H+]2CCOc3ccccc3C2)C1 ZINC000012711392 558452792 /nfs/dbraw/zinc/45/27/92/558452792.db2.gz TUSACROTWKIGPH-RUZDIDTESA-N 1 2 408.542 3.033 50 0 HGAALO Cc1ccccc1C[C@]1(CO)CCCN(C(=O)C[N@H+]2CCOc3ccccc3C2)C1 ZINC000012711392 558452795 /nfs/dbraw/zinc/45/27/95/558452795.db2.gz TUSACROTWKIGPH-RUZDIDTESA-N 1 2 408.542 3.033 50 0 HGAALO O=C(NCC[NH+]1CCOCC1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012741389 558457642 /nfs/dbraw/zinc/45/76/42/558457642.db2.gz QVHWOMKJQGTTPE-UHFFFAOYSA-N 1 2 424.932 3.314 50 0 HGAALO C[C@@H](Sc1nncn1-c1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022298085 558477242 /nfs/dbraw/zinc/47/72/42/558477242.db2.gz COWAFPOLDGJISA-GOSISDBHSA-N 1 2 407.543 3.092 50 0 HGAALO O=C(Nc1nc(C[NH+]2CCCC2)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000012975468 558491069 /nfs/dbraw/zinc/49/10/69/558491069.db2.gz SDGLVCBWCXMWKW-KRWDZBQOSA-N 1 2 410.543 3.219 50 0 HGAALO CCCCOc1ccc(C[NH+]2CCN(CC(=O)Nc3cccc4nonc43)CC2)cc1 ZINC000022752205 558507611 /nfs/dbraw/zinc/50/76/11/558507611.db2.gz GDVYXZBGNHBNJL-UHFFFAOYSA-N 1 2 423.517 3.158 50 0 HGAALO Cc1ccccc1N1CC[NH+](CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)CC1 ZINC000013097764 558513820 /nfs/dbraw/zinc/51/38/20/558513820.db2.gz BLTOBOVTUINLGB-VWLOTQADSA-N 1 2 418.541 3.030 50 0 HGAALO CCOc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3F)CC2)cc1OCC ZINC000022834495 558515823 /nfs/dbraw/zinc/51/58/23/558515823.db2.gz PYFFAFDZVHIWTH-UHFFFAOYSA-N 1 2 415.509 3.379 50 0 HGAALO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1cnn(-c2ccccc2)c1 ZINC000013128761 558519599 /nfs/dbraw/zinc/51/95/99/558519599.db2.gz IFRBTRSEKYPTNI-UHFFFAOYSA-N 1 2 421.892 3.177 50 0 HGAALO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1cnn(-c2ccccc2)c1 ZINC000013128761 558519600 /nfs/dbraw/zinc/51/96/00/558519600.db2.gz IFRBTRSEKYPTNI-UHFFFAOYSA-N 1 2 421.892 3.177 50 0 HGAALO O=C([C@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)N1CCCC1 ZINC000022926611 558523465 /nfs/dbraw/zinc/52/34/65/558523465.db2.gz TXLIGEFQEOTVOI-DEOSSOPVSA-N 1 2 405.542 3.103 50 0 HGAALO O=C([C@H](c1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1)N1CCCC1 ZINC000022926611 558523468 /nfs/dbraw/zinc/52/34/68/558523468.db2.gz TXLIGEFQEOTVOI-DEOSSOPVSA-N 1 2 405.542 3.103 50 0 HGAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000023409190 558557244 /nfs/dbraw/zinc/55/72/44/558557244.db2.gz SIMOGAPSWUWEQV-UHFFFAOYSA-N 1 2 400.526 3.433 50 0 HGAALO O=C(CCNC(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023639173 558564016 /nfs/dbraw/zinc/56/40/16/558564016.db2.gz FZIINRICBQCYCG-UHFFFAOYSA-N 1 2 420.340 3.458 50 0 HGAALO COc1cc(-c2nc(C)c(C(=O)NCCCn3cc[nH+]c3)s2)cc(OC)c1OC ZINC000013686930 558570203 /nfs/dbraw/zinc/57/02/03/558570203.db2.gz ZTIQAJRFYIIKEE-UHFFFAOYSA-N 1 2 416.503 3.161 50 0 HGAALO Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023804825 558576235 /nfs/dbraw/zinc/57/62/35/558576235.db2.gz JIOUNKLMUCXSOR-UHFFFAOYSA-N 1 2 418.925 3.188 50 0 HGAALO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000013730770 558586484 /nfs/dbraw/zinc/58/64/84/558586484.db2.gz BCXCMIJKYBFIRS-UHFFFAOYSA-N 1 2 405.483 3.305 50 0 HGAALO COc1ccc(C[NH+]2CCN(C(=O)CCC(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000024119452 558589996 /nfs/dbraw/zinc/58/99/96/558589996.db2.gz ZVHWUVFXSAHWFY-UHFFFAOYSA-N 1 2 406.526 3.491 50 0 HGAALO O=C(COc1ccc(Br)cc1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000024259120 558593286 /nfs/dbraw/zinc/59/32/86/558593286.db2.gz IVFOMLYOVSCIBY-IBGZPJMESA-N 1 2 419.319 3.018 50 0 HGAALO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CCCn2c3ccccc3oc2=O)CC1 ZINC000024291071 558594251 /nfs/dbraw/zinc/59/42/51/558594251.db2.gz OUCDVWTYABRFDZ-UHFFFAOYSA-N 1 2 423.513 3.036 50 0 HGAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000024831067 558614916 /nfs/dbraw/zinc/61/49/16/558614916.db2.gz ZCEXHXAXXBHYOF-GOSISDBHSA-N 1 2 414.531 3.499 50 0 HGAALO COC(=O)C1=C(C[N@@H+]2CCc3sccc3C2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000024900094 558619467 /nfs/dbraw/zinc/61/94/67/558619467.db2.gz LFNYEEFXDPEYFM-NRFANRHFSA-N 1 2 423.538 3.462 50 0 HGAALO COC(=O)C1=C(C[N@H+]2CCc3sccc3C2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000024900094 558619470 /nfs/dbraw/zinc/61/94/70/558619470.db2.gz LFNYEEFXDPEYFM-NRFANRHFSA-N 1 2 423.538 3.462 50 0 HGAALO CCN1C[C@@H](C[N@H+](C)CC(=O)Nc2ccccc2N2CCCC2)Oc2ccccc21 ZINC000014094992 558619741 /nfs/dbraw/zinc/61/97/41/558619741.db2.gz LTRMKAZGNACQBJ-LJQANCHMSA-N 1 2 408.546 3.445 50 0 HGAALO CCN1C[C@@H](C[N@@H+](C)CC(=O)Nc2ccccc2N2CCCC2)Oc2ccccc21 ZINC000014094992 558619742 /nfs/dbraw/zinc/61/97/42/558619742.db2.gz LTRMKAZGNACQBJ-LJQANCHMSA-N 1 2 408.546 3.445 50 0 HGAALO CCN1C[C@H](C[N@H+](C)CC(=O)Nc2ccccc2N2CCCC2)Oc2ccccc21 ZINC000014094993 558619787 /nfs/dbraw/zinc/61/97/87/558619787.db2.gz LTRMKAZGNACQBJ-IBGZPJMESA-N 1 2 408.546 3.445 50 0 HGAALO CCN1C[C@H](C[N@@H+](C)CC(=O)Nc2ccccc2N2CCCC2)Oc2ccccc21 ZINC000014094993 558619788 /nfs/dbraw/zinc/61/97/88/558619788.db2.gz LTRMKAZGNACQBJ-IBGZPJMESA-N 1 2 408.546 3.445 50 0 HGAALO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025534122 558642948 /nfs/dbraw/zinc/64/29/48/558642948.db2.gz GWQJHTDQHBOTCJ-LLVKDONJSA-N 1 2 408.380 3.214 50 0 HGAALO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025534122 558642951 /nfs/dbraw/zinc/64/29/51/558642951.db2.gz GWQJHTDQHBOTCJ-LLVKDONJSA-N 1 2 408.380 3.214 50 0 HGAALO Cc1cc(C)n(-c2ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)n1 ZINC000025784422 558650178 /nfs/dbraw/zinc/65/01/78/558650178.db2.gz PIUWXTQTJMWMHI-UHFFFAOYSA-N 1 2 418.497 3.176 50 0 HGAALO CCCCc1ncc(C[NH+]2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)[nH]1 ZINC000014750993 558670912 /nfs/dbraw/zinc/67/09/12/558670912.db2.gz MMYDEMVRVUUHPL-UHFFFAOYSA-N 1 2 423.561 3.224 50 0 HGAALO CCOC(=O)C1=C(C[N@H+](C)Cc2cccc(F)c2)NC(=O)N[C@H]1c1cccs1 ZINC000027348924 558672299 /nfs/dbraw/zinc/67/22/99/558672299.db2.gz GNGFHYNRAOZHNK-SFHVURJKSA-N 1 2 403.479 3.190 50 0 HGAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2cccc(F)c2)NC(=O)N[C@H]1c1cccs1 ZINC000027348924 558672301 /nfs/dbraw/zinc/67/23/01/558672301.db2.gz GNGFHYNRAOZHNK-SFHVURJKSA-N 1 2 403.479 3.190 50 0 HGAALO CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)o2)cc1 ZINC000014801199 558673264 /nfs/dbraw/zinc/67/32/64/558673264.db2.gz OEXIZHUPEWUSFI-UHFFFAOYSA-N 1 2 405.454 3.311 50 0 HGAALO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000014928314 558679605 /nfs/dbraw/zinc/67/96/05/558679605.db2.gz QMNOFFNMZRAZKY-LLVKDONJSA-N 1 2 416.330 3.100 50 0 HGAALO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000014928314 558679608 /nfs/dbraw/zinc/67/96/08/558679608.db2.gz QMNOFFNMZRAZKY-LLVKDONJSA-N 1 2 416.330 3.100 50 0 HGAALO O=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000028809596 558705107 /nfs/dbraw/zinc/70/51/07/558705107.db2.gz OOPONPXUXYVDAI-UHFFFAOYSA-N 1 2 423.435 3.417 50 0 HGAALO O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NCc1cn2ccccc2[nH+]1 ZINC000028834077 558705785 /nfs/dbraw/zinc/70/57/85/558705785.db2.gz KDZOYWHHQQCQPO-UHFFFAOYSA-N 1 2 421.507 3.151 50 0 HGAALO O=C(Nc1nc2c(s1)CCC2)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000029020333 558708466 /nfs/dbraw/zinc/70/84/66/558708466.db2.gz NLZHLWYVSIFTTG-UHFFFAOYSA-N 1 2 400.485 3.080 50 0 HGAALO Cc1cccc(N2C[C@H](C(=O)N[C@H](c3[nH+]ccn3C)c3cccc(F)c3)CC2=O)c1C ZINC000029080383 558709621 /nfs/dbraw/zinc/70/96/21/558709621.db2.gz DKFYOEMWLYPQJX-GCJKJVERSA-N 1 2 420.488 3.435 50 0 HGAALO Cc1cccc(N2C[C@@H](C(=O)N[C@@H](c3[nH+]ccn3C)c3cccc(F)c3)CC2=O)c1C ZINC000029080387 558709770 /nfs/dbraw/zinc/70/97/70/558709770.db2.gz DKFYOEMWLYPQJX-PGRDOPGGSA-N 1 2 420.488 3.435 50 0 HGAALO CCSC1CCC([N@H+](C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304993 558757082 /nfs/dbraw/zinc/75/70/82/558757082.db2.gz HHPIENICULYOPB-WOJBJXKFSA-N 1 2 403.592 3.031 50 0 HGAALO CCSC1CCC([N@@H+](C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304993 558757083 /nfs/dbraw/zinc/75/70/83/558757083.db2.gz HHPIENICULYOPB-WOJBJXKFSA-N 1 2 403.592 3.031 50 0 HGAALO Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCOc3ccccc3Cl)CC2)cc1 ZINC000016427148 558790680 /nfs/dbraw/zinc/79/06/80/558790680.db2.gz DHVXSHDEESZIFU-UHFFFAOYSA-N 1 2 408.951 3.424 50 0 HGAALO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CCOc3ccccc3Cl)CC2)cc1 ZINC000016427148 558790684 /nfs/dbraw/zinc/79/06/84/558790684.db2.gz DHVXSHDEESZIFU-UHFFFAOYSA-N 1 2 408.951 3.424 50 0 HGAALO CCCN(C)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000036250801 558798788 /nfs/dbraw/zinc/79/87/88/558798788.db2.gz GBHVTFLULFRQNQ-FQEVSTJZSA-N 1 2 407.505 3.150 50 0 HGAALO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000018250478 558834682 /nfs/dbraw/zinc/83/46/82/558834682.db2.gz IYOXVCAEXKVEAD-FQEVSTJZSA-N 1 2 413.905 3.193 50 0 HGAALO COc1cc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc(OC)c1OC ZINC000049546890 558849991 /nfs/dbraw/zinc/84/99/91/558849991.db2.gz WJCYKRLQPKEUHF-UHFFFAOYSA-N 1 2 403.508 3.255 50 0 HGAALO C[N@@H+]1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C[C@H]1c1ccccc1 ZINC000019227058 558852731 /nfs/dbraw/zinc/85/27/31/558852731.db2.gz QFRKZMNTNCZDBW-FQEVSTJZSA-N 1 2 412.877 3.431 50 0 HGAALO C[N@H+]1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C[C@H]1c1ccccc1 ZINC000019227058 558852734 /nfs/dbraw/zinc/85/27/34/558852734.db2.gz QFRKZMNTNCZDBW-FQEVSTJZSA-N 1 2 412.877 3.431 50 0 HGAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000019229344 558853520 /nfs/dbraw/zinc/85/35/20/558853520.db2.gz GMYQLGVNKMMQGG-GOSISDBHSA-N 1 2 404.297 3.448 50 0 HGAALO Cc1ccc2c(c1)c1c3n2CCN(CC(O)CNC[NH+]2CCCCCC2)C3CCC1 ZINC000019332249 558868721 /nfs/dbraw/zinc/86/87/21/558868721.db2.gz KTBVROFFDADDER-GBXCKJPGSA-N 1 2 410.606 3.427 50 0 HGAALO COc1ccc(C[NH+]2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c(OC)c1 ZINC000019361478 558876382 /nfs/dbraw/zinc/87/63/82/558876382.db2.gz SDOXVBCLNRHQSC-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO COc1ccc(CN2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)c(OC)c1 ZINC000019361478 558876383 /nfs/dbraw/zinc/87/63/83/558876383.db2.gz SDOXVBCLNRHQSC-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO Cn1cc[nH+]c1[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000010656739 558885457 /nfs/dbraw/zinc/88/54/57/558885457.db2.gz BQECDSWKPMHKPC-SFHVURJKSA-N 1 2 400.498 3.050 50 0 HGAALO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000058297152 558917181 /nfs/dbraw/zinc/91/71/81/558917181.db2.gz QXKRCAREXIKPLF-UHFFFAOYSA-N 1 2 401.332 3.285 50 0 HGAALO CC(=O)[C@@H]1CC(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)=NN1c1ccccc1 ZINC000058304524 558917763 /nfs/dbraw/zinc/91/77/63/558917763.db2.gz NEAOACMKSLQBER-LEWJYISDSA-N 1 2 408.502 3.147 50 0 HGAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)NC(c1ccccc1)c1ccccc1 ZINC000058450330 558927991 /nfs/dbraw/zinc/92/79/91/558927991.db2.gz RQGAICTWROEQES-UHFFFAOYSA-N 1 2 401.510 3.420 50 0 HGAALO C[C@H](CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)Cn1cc[nH+]c1 ZINC000060380084 558942919 /nfs/dbraw/zinc/94/29/19/558942919.db2.gz FTYIEJXIOZYLGB-LLVKDONJSA-N 1 2 412.803 3.244 50 0 HGAALO O=C(CN1CC[NH+](Cc2ccccc2Cl)CC1)Nc1ccc2nsnc2c1 ZINC000096465813 558952869 /nfs/dbraw/zinc/95/28/69/558952869.db2.gz GAHRSLJLFBXLIJ-UHFFFAOYSA-N 1 2 401.923 3.101 50 0 HGAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[nH+]1 ZINC000065362427 558973266 /nfs/dbraw/zinc/97/32/66/558973266.db2.gz QTRKRTKPBIHNFA-UHFFFAOYSA-N 1 2 404.518 3.231 50 0 HGAALO O[C@@H](COc1ccccc1Br)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022030842 558985232 /nfs/dbraw/zinc/98/52/32/558985232.db2.gz FNMGUWMXNDEYGN-GOSISDBHSA-N 1 2 405.336 3.007 50 0 HGAALO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000097161950 558998005 /nfs/dbraw/zinc/99/80/05/558998005.db2.gz PPSZSXHWRMZBIL-SECBINFHSA-N 1 2 407.293 3.340 50 0 HGAALO COC(=O)Cn1ncc2c1nc[nH+]c2NC1(c2ccc(Br)cc2)CCC1 ZINC000097165726 558998683 /nfs/dbraw/zinc/99/86/83/558998683.db2.gz RKZTUWLOXUAKKX-UHFFFAOYSA-N 1 2 416.279 3.253 50 0 HGAALO O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023135399 559018584 /nfs/dbraw/zinc/01/85/84/559018584.db2.gz XJQUTRXUOUPZLN-UHFFFAOYSA-N 1 2 422.456 3.316 50 0 HGAALO COC(=O)C1CC[NH+]([C@@H](c2ccc(C)cc2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000023156857 559022709 /nfs/dbraw/zinc/02/27/09/559022709.db2.gz UMFWORAVHKSVQX-INIZCTEOSA-N 1 2 400.504 3.088 50 0 HGAALO CC(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C1 ZINC000023189163 559032173 /nfs/dbraw/zinc/03/21/73/559032173.db2.gz MREKQBNUWHBZKB-SJLPKXTDSA-N 1 2 402.926 3.174 50 0 HGAALO COC(=O)c1ccc(Cl)cc1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000033280306 559043460 /nfs/dbraw/zinc/04/34/60/559043460.db2.gz RSYOFKRUAYADRG-UHFFFAOYSA-N 1 2 420.922 3.397 50 0 HGAALO CCCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000100563760 559136544 /nfs/dbraw/zinc/13/65/44/559136544.db2.gz VSKNNQAHZPINNR-QFIPXVFZSA-N 1 2 407.514 3.320 50 0 HGAALO O=C([C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1)N1CCOCC1 ZINC000084519427 559153318 /nfs/dbraw/zinc/15/33/18/559153318.db2.gz LHNWALIJCXBDDU-HXUWFJFHSA-N 1 2 419.978 3.119 50 0 HGAALO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000047213434 560885172 /nfs/dbraw/zinc/88/51/72/560885172.db2.gz DGRAEIRXRDKORM-QGZVFWFLSA-N 1 2 410.923 3.083 50 0 HGAALO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022907416 568415756 /nfs/dbraw/zinc/41/57/56/568415756.db2.gz RAGJGWAXYSPOSM-NRFANRHFSA-N 1 2 403.482 3.442 50 0 HGAALO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022907416 568415757 /nfs/dbraw/zinc/41/57/57/568415757.db2.gz RAGJGWAXYSPOSM-NRFANRHFSA-N 1 2 403.482 3.442 50 0 HGAALO COc1ccc(NC(=O)c2cn(-c3cc(N4CCC(C)CC4)[nH+]cn3)cn2)c(OC)c1 ZINC000049411230 568450043 /nfs/dbraw/zinc/45/00/43/568450043.db2.gz AILQUAFDCXDHEA-UHFFFAOYSA-N 1 2 422.489 3.168 50 0 HGAALO COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)Cc3[nH+]ccn3C)C2)c2ccccc12 ZINC000049604844 568452582 /nfs/dbraw/zinc/45/25/82/568452582.db2.gz AJXFYBRQLOKVAO-QGZVFWFLSA-N 1 2 420.513 3.093 50 0 HGAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)N1CCc2ccccc2C1 ZINC000012314865 568466381 /nfs/dbraw/zinc/46/63/81/568466381.db2.gz LBBOKWLQIDKWJJ-DEOSSOPVSA-N 1 2 413.521 3.115 50 0 HGAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1)N1CCc2ccccc2C1 ZINC000012314865 568466383 /nfs/dbraw/zinc/46/63/83/568466383.db2.gz LBBOKWLQIDKWJJ-DEOSSOPVSA-N 1 2 413.521 3.115 50 0 HGAALO C=CC(=O)NCc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000216848188 568468309 /nfs/dbraw/zinc/46/83/09/568468309.db2.gz JLKAIAGUHPXUGW-SFHVURJKSA-N 1 2 407.514 3.016 50 0 HGAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(Br)cc1F ZINC000023074556 568505118 /nfs/dbraw/zinc/50/51/18/568505118.db2.gz DSQMNAVXZNBEFW-UHFFFAOYSA-N 1 2 407.283 3.350 50 0 HGAALO COC(=O)C1=C(C)[NH+]=C2N=CNN2[C@@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000220966570 568509363 /nfs/dbraw/zinc/50/93/63/568509363.db2.gz IEUOLYPJLPHJBK-HXUWFJFHSA-N 1 2 424.432 3.120 50 0 HGAALO O=C(NCC[NH+]1CCOCC1)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000020355630 568600040 /nfs/dbraw/zinc/60/00/40/568600040.db2.gz OYJMVHLIKDXBGM-UHFFFAOYSA-N 1 2 403.935 3.467 50 0 HGAALO Fc1cccc(F)c1C1=NO[C@@H](C[NH+]2CCN(c3ncnc4ccsc43)CC2)C1 ZINC000095456077 568617487 /nfs/dbraw/zinc/61/74/87/568617487.db2.gz QIHBBUCZEQERLG-CYBMUJFWSA-N 1 2 415.469 3.285 50 0 HGAALO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000020766321 568643180 /nfs/dbraw/zinc/64/31/80/568643180.db2.gz OSVBMLMGMCUKOO-UHFFFAOYSA-N 1 2 409.349 3.264 50 0 HGAALO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020902062 568650063 /nfs/dbraw/zinc/65/00/63/568650063.db2.gz FDDMQSYSDOQXNZ-HSZRJFAPSA-N 1 2 414.509 3.244 50 0 HGAALO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020902062 568650064 /nfs/dbraw/zinc/65/00/64/568650064.db2.gz FDDMQSYSDOQXNZ-HSZRJFAPSA-N 1 2 414.509 3.244 50 0 HGAALO Cc1cccc(S(=O)(=O)NC[C@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000021153600 568672747 /nfs/dbraw/zinc/67/27/47/568672747.db2.gz FKCIRRVIBJHYOP-HSZRJFAPSA-N 1 2 409.555 3.411 50 0 HGAALO Cc1cccc(S(=O)(=O)NC[C@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)c1 ZINC000021153600 568672749 /nfs/dbraw/zinc/67/27/49/568672749.db2.gz FKCIRRVIBJHYOP-HSZRJFAPSA-N 1 2 409.555 3.411 50 0 HGAALO Cn1c2cn(-c3ccc([NH+](C)C)cc3)c(-c3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000021168221 568675975 /nfs/dbraw/zinc/67/59/75/568675975.db2.gz PYHYTHPRCWJIKB-UHFFFAOYSA-N 1 2 408.889 3.414 50 0 HGAALO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000095995446 568678604 /nfs/dbraw/zinc/67/86/04/568678604.db2.gz BGEWOMDKKDSXRI-QWHCGFSZSA-N 1 2 406.914 3.312 50 0 HGAALO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000095995446 568678605 /nfs/dbraw/zinc/67/86/05/568678605.db2.gz BGEWOMDKKDSXRI-QWHCGFSZSA-N 1 2 406.914 3.312 50 0 HGAALO CC(C)c1[nH+]c2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc2n1C ZINC000096116163 568695729 /nfs/dbraw/zinc/69/57/29/568695729.db2.gz OICZKRNKGAHOCN-KRWDZBQOSA-N 1 2 419.485 3.166 50 0 biogenic HGAALO O=C(NCc1cccnc1)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)nc[nH+]2)C1 ZINC000096124054 568700670 /nfs/dbraw/zinc/70/06/70/568700670.db2.gz BHQUEEBMNLPTOZ-FQEVSTJZSA-N 1 2 412.497 3.348 50 0 HGAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000096317143 568726204 /nfs/dbraw/zinc/72/62/04/568726204.db2.gz AEBDURWYAHPWSH-UHFFFAOYSA-N 1 2 411.525 3.450 50 0 HGAALO C[C@@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022239249 568765785 /nfs/dbraw/zinc/76/57/85/568765785.db2.gz QLIKHVZDCYSUDQ-QGZVFWFLSA-N 1 2 407.543 3.297 50 0 HGAALO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1nc2cc(Br)cnc2[nH]1 ZINC000097164835 568769373 /nfs/dbraw/zinc/76/93/73/568769373.db2.gz VHTGIMCWJVYEFO-SNVBAGLBSA-N 1 2 413.235 3.219 50 0 HGAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000057058652 568823945 /nfs/dbraw/zinc/82/39/45/568823945.db2.gz YZOGLQPXNUHNGQ-UHFFFAOYSA-N 1 2 410.468 3.153 50 0 HGAALO C[C@@H](CCc1ccccc1)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000029319807 568824381 /nfs/dbraw/zinc/82/43/81/568824381.db2.gz BLWFDWMZZVHCTQ-IBGZPJMESA-N 1 2 408.546 3.410 50 0 HGAALO COc1ccccc1[C@@H](NC(=O)c1nc(SC)ncc1Cl)c1[nH+]ccn1C ZINC000012535493 568845237 /nfs/dbraw/zinc/84/52/37/568845237.db2.gz UQGFMQMSBQTGTF-CQSZACIVSA-N 1 2 403.895 3.113 50 0 HGAALO COc1cccc([C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)c2[nH+]ccn2C)c1 ZINC000012547504 568851386 /nfs/dbraw/zinc/85/13/86/568851386.db2.gz HIFNXMVMNBNVPF-KRWDZBQOSA-N 1 2 409.870 3.289 50 0 HGAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)cc1 ZINC000030065128 568857351 /nfs/dbraw/zinc/85/73/51/568857351.db2.gz LTKZLOQHRBCVBY-UHFFFAOYSA-N 1 2 410.301 3.234 50 0 HGAALO O=C(/C=C/c1ccccc1)N1CCC(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000058005577 568874733 /nfs/dbraw/zinc/87/47/33/568874733.db2.gz MLGNRTNQQVGKAE-DHZHZOJOSA-N 1 2 414.509 3.441 50 0 HGAALO O=C(NCc1ccnc(N2CCCCC2)c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000058011372 568875899 /nfs/dbraw/zinc/87/58/99/568875899.db2.gz YCSGFPFGXLTQSJ-UHFFFAOYSA-N 1 2 408.550 3.457 50 0 HGAALO CC(=O)Nc1ccccc1C(=O)C(=O)NC[NH+]1CCC(Cc2ccccc2C)CC1 ZINC000058080268 568883478 /nfs/dbraw/zinc/88/34/78/568883478.db2.gz ONUKWZQAABFBRV-UHFFFAOYSA-N 1 2 407.514 3.165 50 0 HGAALO O=C(CCNC(=O)c1ccccc1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000003565685 568916211 /nfs/dbraw/zinc/91/62/11/568916211.db2.gz VMJCRVCFWJIRRG-UHFFFAOYSA-N 1 2 420.538 3.460 50 0 HGAALO O=C(CCNC(=O)c1ccccc1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003565685 568916214 /nfs/dbraw/zinc/91/62/14/568916214.db2.gz VMJCRVCFWJIRRG-UHFFFAOYSA-N 1 2 420.538 3.460 50 0 HGAALO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1C ZINC000012777261 568955649 /nfs/dbraw/zinc/95/56/49/568955649.db2.gz VJUBSDMWLMWWGF-UHFFFAOYSA-N 1 2 400.548 3.360 50 0 HGAALO CC[N@H+](CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)c1ccccc1 ZINC000015677471 568965842 /nfs/dbraw/zinc/96/58/42/568965842.db2.gz KJGRXPSRMYBHLY-UHFFFAOYSA-N 1 2 404.514 3.379 50 0 HGAALO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)c1ccccc1 ZINC000015677471 568965845 /nfs/dbraw/zinc/96/58/45/568965845.db2.gz KJGRXPSRMYBHLY-UHFFFAOYSA-N 1 2 404.514 3.379 50 0 HGAALO Cc1ccccc1-n1c(SCc2cn3ccccc3[nH+]2)nnc1N1CCOCC1 ZINC000008159438 568978731 /nfs/dbraw/zinc/97/87/31/568978731.db2.gz PQCZUYFILHDOHX-UHFFFAOYSA-N 1 2 406.515 3.352 50 0 HGAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)c1C ZINC000008225981 568983332 /nfs/dbraw/zinc/98/33/32/568983332.db2.gz BZEDARAIUACXIS-OAHLLOKOSA-N 1 2 400.475 3.283 50 0 HGAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1C ZINC000008225981 568983334 /nfs/dbraw/zinc/98/33/34/568983334.db2.gz BZEDARAIUACXIS-OAHLLOKOSA-N 1 2 400.475 3.283 50 0 HGAALO COc1cccc(CN2CC[N@H+](Cc3ccc4cccc(F)c4n3)C[C@H]2CCO)c1 ZINC000104436891 569008694 /nfs/dbraw/zinc/00/86/94/569008694.db2.gz JNXXLLSIXMRKPZ-OAQYLSRUSA-N 1 2 409.505 3.451 50 0 HGAALO COc1cccc(CN2CC[N@@H+](Cc3ccc4cccc(F)c4n3)C[C@H]2CCO)c1 ZINC000104436891 569008695 /nfs/dbraw/zinc/00/86/95/569008695.db2.gz JNXXLLSIXMRKPZ-OAQYLSRUSA-N 1 2 409.505 3.451 50 0 HGAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000012944126 569028816 /nfs/dbraw/zinc/02/88/16/569028816.db2.gz DXOXYESEEIEVAM-UHFFFAOYSA-N 1 2 405.502 3.356 50 0 HGAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC(Oc2cccc(C(F)(F)F)n2)C1 ZINC000575607543 569032119 /nfs/dbraw/zinc/03/21/19/569032119.db2.gz MPRZEALFOYRZIM-UHFFFAOYSA-N 1 2 402.376 3.249 50 0 HGAALO Cn1cc([C@@H](CC(=O)NCC[NH+]2CCOCC2)c2ccc(F)cc2)c2ccccc21 ZINC000035371548 569033832 /nfs/dbraw/zinc/03/38/32/569033832.db2.gz YZLITEZOBOTXQZ-NRFANRHFSA-N 1 2 409.505 3.288 50 0 HGAALO COc1cccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)c1 ZINC000035404236 569035691 /nfs/dbraw/zinc/03/56/91/569035691.db2.gz MOJBOGXVFHAHQN-UHFFFAOYSA-N 1 2 402.498 3.286 50 0 HGAALO COc1cccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)c1 ZINC000035404236 569035692 /nfs/dbraw/zinc/03/56/92/569035692.db2.gz MOJBOGXVFHAHQN-UHFFFAOYSA-N 1 2 402.498 3.286 50 0 HGAALO Cc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4cccc(Cl)c4)CC3)NC2=O)cc1C ZINC000035430733 569036716 /nfs/dbraw/zinc/03/67/16/569036716.db2.gz HUXUMBQIBXUDPG-UHFFFAOYSA-N 1 2 424.932 3.307 50 0 biogenic HGAALO Cc1cccc(C2=NC3(CC[NH+](CC(=O)Nc4ccc(C(C)C)cc4)CC3)NC2=O)c1 ZINC000035430704 569036753 /nfs/dbraw/zinc/03/67/53/569036753.db2.gz AVZCVNYTHLYLBD-UHFFFAOYSA-N 1 2 418.541 3.468 50 0 biogenic HGAALO COc1ccccc1NC(=O)Cc1noc(C[N@H+](C)CCOc2ccc(C)cc2)n1 ZINC000016421983 569048193 /nfs/dbraw/zinc/04/81/93/569048193.db2.gz MOVPVUACYFACQH-UHFFFAOYSA-N 1 2 410.474 3.079 50 0 HGAALO COc1ccccc1NC(=O)Cc1noc(C[N@@H+](C)CCOc2ccc(C)cc2)n1 ZINC000016421983 569048194 /nfs/dbraw/zinc/04/81/94/569048194.db2.gz MOVPVUACYFACQH-UHFFFAOYSA-N 1 2 410.474 3.079 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]3CCC[N@@H+]32)cc1 ZINC000245326867 569055853 /nfs/dbraw/zinc/05/58/53/569055853.db2.gz MQFONYWUEWYXHW-HAGHYFMRSA-N 1 2 408.885 3.484 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]3CCC[N@H+]32)cc1 ZINC000245326867 569055854 /nfs/dbraw/zinc/05/58/54/569055854.db2.gz MQFONYWUEWYXHW-HAGHYFMRSA-N 1 2 408.885 3.484 50 0 HGAALO CCNC(=S)N1CCC2(CC1)[NH2+][C@H](C(C)C)C(=O)N2[C@H](C)CCc1ccccc1 ZINC000036024411 569077487 /nfs/dbraw/zinc/07/74/87/569077487.db2.gz ZEFSAAFDDGJVIQ-UYAOXDASSA-N 1 2 416.635 3.151 50 0 HGAALO CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036254346 569120171 /nfs/dbraw/zinc/12/01/71/569120171.db2.gz UXHPIROPJZLDQQ-LAUBAEHRSA-N 1 2 403.542 3.305 50 0 HGAALO COc1cccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccco3)CC2)c1 ZINC000036311694 569133236 /nfs/dbraw/zinc/13/32/36/569133236.db2.gz BWTQMWMHMXAJPQ-OAQYLSRUSA-N 1 2 411.502 3.244 50 0 HGAALO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 ZINC000006882139 569168221 /nfs/dbraw/zinc/16/82/21/569168221.db2.gz MCISZGOEKWOYAO-OAHLLOKOSA-N 1 2 413.971 3.185 50 0 HGAALO C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 ZINC000006882139 569168219 /nfs/dbraw/zinc/16/82/19/569168219.db2.gz MCISZGOEKWOYAO-OAHLLOKOSA-N 1 2 413.971 3.185 50 0 HGAALO CCOC(=O)C1CC[NH+](Cc2nc(-c3ccc(N4CCC(C)CC4)nc3)no2)CC1 ZINC000065216143 569197735 /nfs/dbraw/zinc/19/77/35/569197735.db2.gz CBBMCQVKAKUDLR-UHFFFAOYSA-N 1 2 413.522 3.143 50 0 HGAALO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[NH+]5CCCCC5)n4)ccn3n2)cc1C ZINC000065235818 569202567 /nfs/dbraw/zinc/20/25/67/569202567.db2.gz WWNSJYHDBDODKY-UHFFFAOYSA-N 1 2 418.501 3.197 50 0 HGAALO COc1ccc(NC(=O)c2cn(-c3cc(N4CCC(C)CC4)[nH+]cn3)cn2)cc1F ZINC000065239871 569203570 /nfs/dbraw/zinc/20/35/70/569203570.db2.gz OOYIAWLQLFWRAO-UHFFFAOYSA-N 1 2 410.453 3.299 50 0 HGAALO CCn1nc(C)c(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1C ZINC000036614549 569206719 /nfs/dbraw/zinc/20/67/19/569206719.db2.gz NOXQCJLWVMFPNN-UHFFFAOYSA-N 1 2 412.559 3.180 50 0 HGAALO O=C(Nc1ccc(Cl)cc1F)c1nn(CC[NH+]2CCOCC2)c2ccccc21 ZINC000065254972 569207467 /nfs/dbraw/zinc/20/74/67/569207467.db2.gz NQDUMZBPULMJKA-UHFFFAOYSA-N 1 2 402.857 3.413 50 0 HGAALO O=C(c1ccncc1)N1CC[C@]2(C1)[NH2+]Cc1ccccc1NC2=NCc1ccccc1 ZINC000065265849 569213161 /nfs/dbraw/zinc/21/31/61/569213161.db2.gz MAWGPPVEEYSHQR-RUZDIDTESA-N 1 2 411.509 3.290 50 0 HGAALO O=C(NCCCCCc1[nH]c2ccccc2[nH+]1)c1c2c(sc1-n1cnnn1)CCC2 ZINC000524734001 569214053 /nfs/dbraw/zinc/21/40/53/569214053.db2.gz LNKNBSVQIQJRKM-UHFFFAOYSA-N 1 2 421.530 3.232 50 0 HGAALO Cc1ccsc1C(=O)N1CCC[N@@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293288 569218486 /nfs/dbraw/zinc/21/84/86/569218486.db2.gz MVBNATCMIACJNO-IBGZPJMESA-N 1 2 415.534 3.145 50 0 HGAALO Cc1ccsc1C(=O)N1CCC[N@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293288 569218488 /nfs/dbraw/zinc/21/84/88/569218488.db2.gz MVBNATCMIACJNO-IBGZPJMESA-N 1 2 415.534 3.145 50 0 HGAALO O=S(=O)(NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000036700412 569222797 /nfs/dbraw/zinc/22/27/97/569222797.db2.gz HREACJLTMVSBDG-LJQANCHMSA-N 1 2 410.486 3.097 50 0 HGAALO O=S(=O)(NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000036700412 569222798 /nfs/dbraw/zinc/22/27/98/569222798.db2.gz HREACJLTMVSBDG-LJQANCHMSA-N 1 2 410.486 3.097 50 0 HGAALO C[C@H](C(=O)NCCCCCc1[nH+]c2ccccc2n1C)N1Cc2ccccc2C1=O ZINC000252572247 569294472 /nfs/dbraw/zinc/29/44/72/569294472.db2.gz ZAUHWCMSARVNKA-QGZVFWFLSA-N 1 2 404.514 3.447 50 0 HGAALO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1 ZINC000007725426 569303021 /nfs/dbraw/zinc/30/30/21/569303021.db2.gz UDOXONNNYHOTEN-UHFFFAOYSA-N 1 2 412.515 3.265 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NMQJEETUWDQYDL-FQEVSTJZSA-N 1 2 400.523 3.346 50 0 HGAALO OCC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(F)c2)CCN1Cc1ccsc1 ZINC000020455835 558369513 /nfs/dbraw/zinc/36/95/13/558369513.db2.gz NMQJEETUWDQYDL-FQEVSTJZSA-N 1 2 400.523 3.346 50 0 HGAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](C(=O)c2cc(Cl)ccc2OC)C1 ZINC000012316444 558379927 /nfs/dbraw/zinc/37/99/27/558379927.db2.gz IINXABFVWMGUKW-CYBMUJFWSA-N 1 2 405.882 3.343 50 0 HGAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](C(=O)c2cc(Cl)ccc2OC)C1 ZINC000012316444 558379930 /nfs/dbraw/zinc/37/99/30/558379930.db2.gz IINXABFVWMGUKW-CYBMUJFWSA-N 1 2 405.882 3.343 50 0 HGAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccc(Br)cn1 ZINC000020508731 558381703 /nfs/dbraw/zinc/38/17/03/558381703.db2.gz XAOFJLYHPYNVCB-QPJJXVBHSA-N 1 2 415.335 3.114 50 0 HGAALO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000012439952 558411352 /nfs/dbraw/zinc/41/13/52/558411352.db2.gz QJVWZWITLCCRGH-FVNWOWOISA-N 1 2 417.469 3.488 50 0 HGAALO COc1ccc(Cn2cc(C(=O)N[C@@H](CCn3cc[nH+]c3)c3ccccc3)nn2)cc1 ZINC000012446392 558414337 /nfs/dbraw/zinc/41/43/37/558414337.db2.gz JJUFBRZYUPHFSX-NRFANRHFSA-N 1 2 416.485 3.093 50 0 HGAALO Cc1ccc(C(=O)[C@@H]([C@@H](c2cccs2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000021670206 558445514 /nfs/dbraw/zinc/44/55/14/558445514.db2.gz BNKNETILKVSMCR-NHCUHLMSSA-N 1 2 400.544 3.014 50 0 HGAALO Cn1ncc2c1nc[nH+]c2SCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000021754631 558447988 /nfs/dbraw/zinc/44/79/88/558447988.db2.gz BHNDQGKDQRZZNG-AWEZNQCLSA-N 1 2 424.511 3.488 50 0 HGAALO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCN(C(=O)c4ccco4)CC3)c(C)o2)cc1 ZINC000012704294 558448956 /nfs/dbraw/zinc/44/89/56/558448956.db2.gz OENMSICEYQEOOH-UHFFFAOYSA-N 1 2 423.469 3.378 50 0 HGAALO COC(=O)c1ccc(-c2nc(C[N@H+]3CCCN(C(=O)c4ccco4)CC3)c(C)o2)cc1 ZINC000012704294 558448958 /nfs/dbraw/zinc/44/89/58/558448958.db2.gz OENMSICEYQEOOH-UHFFFAOYSA-N 1 2 423.469 3.378 50 0 HGAALO Cc1ccccc1N1C(=O)C[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000021817040 558450759 /nfs/dbraw/zinc/45/07/59/558450759.db2.gz XTHJVNSNWPWJCS-IBGZPJMESA-N 1 2 417.431 3.468 50 0 HGAALO Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)NC(c3ccccc3)c3ccccc3)CC2)on1 ZINC000022252645 558473758 /nfs/dbraw/zinc/47/37/58/558473758.db2.gz LOVNMWQJIGJUMF-FQEVSTJZSA-N 1 2 418.541 3.395 50 0 HGAALO Cc1cc(CN2CC[NH+]([C@@H](C)C(=O)NC(c3ccccc3)c3ccccc3)CC2)on1 ZINC000022252645 558473760 /nfs/dbraw/zinc/47/37/60/558473760.db2.gz LOVNMWQJIGJUMF-FQEVSTJZSA-N 1 2 418.541 3.395 50 0 HGAALO C[C@H](Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)c1ccc2ccccc2c1 ZINC000012974317 558490474 /nfs/dbraw/zinc/49/04/74/558490474.db2.gz BZPCYKMRIDMFSZ-KRWDZBQOSA-N 1 2 410.543 3.344 50 0 HGAALO CC[C@@H](NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(C)cc1 ZINC000022773040 558509124 /nfs/dbraw/zinc/50/91/24/558509124.db2.gz RRHOSJSTYMENRT-OAQYLSRUSA-N 1 2 409.530 3.109 50 0 HGAALO O=c1[nH]c(CN2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc2ccccc21 ZINC000022802223 558513167 /nfs/dbraw/zinc/51/31/67/558513167.db2.gz MEXXOYWDRQZOAU-UHFFFAOYSA-N 1 2 402.420 3.260 50 0 HGAALO CCOc1ccc(-c2nn(CN3CC[NH+](Cc4ccccn4)CC3)c(=S)o2)cc1 ZINC000022924737 558522861 /nfs/dbraw/zinc/52/28/61/558522861.db2.gz ZGNCHNSHTGBCLK-UHFFFAOYSA-N 1 2 411.531 3.442 50 0 HGAALO COc1ccc(C[NH+]2CCN(Cn3c4ccc(Cl)cc4oc3=O)CC2)cc1OC ZINC000023257156 558546423 /nfs/dbraw/zinc/54/64/23/558546423.db2.gz QJFSCGJTMSKIFE-UHFFFAOYSA-N 1 2 417.893 3.040 50 0 HGAALO O=C(CSc1nc2ccccc2s1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000023295874 558548067 /nfs/dbraw/zinc/54/80/67/558548067.db2.gz HDOZQTBROQPCJZ-KRWDZBQOSA-N 1 2 413.568 3.406 50 0 HGAALO O=C(CSc1nc2ccccc2s1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000023295874 558548070 /nfs/dbraw/zinc/54/80/70/558548070.db2.gz HDOZQTBROQPCJZ-KRWDZBQOSA-N 1 2 413.568 3.406 50 0 HGAALO COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)[NH+](C)C ZINC000023794663 558575995 /nfs/dbraw/zinc/57/59/95/558575995.db2.gz INWUAVHQKSRWJQ-MRXNPFEDSA-N 1 2 400.862 3.488 50 0 HGAALO O=C(CSc1ncnc2sccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023873160 558579164 /nfs/dbraw/zinc/57/91/64/558579164.db2.gz BTQSPROAGVNFQL-UHFFFAOYSA-N 1 2 400.529 3.254 50 0 HGAALO CCN(CC)S(=O)(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023994975 558583975 /nfs/dbraw/zinc/58/39/75/558583975.db2.gz RHEPVRAYIMNLAJ-UHFFFAOYSA-N 1 2 423.529 3.258 50 0 HGAALO COc1cc(OC)cc([C@@H](NC(=O)c2ccc3c(c2)OCCCO3)c2[nH+]ccn2C)c1 ZINC000024023127 558584812 /nfs/dbraw/zinc/58/48/12/558584812.db2.gz VJNGVUIJERPLLX-OAQYLSRUSA-N 1 2 423.469 3.118 50 0 HGAALO COc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1Br ZINC000024061222 558587339 /nfs/dbraw/zinc/58/73/39/558587339.db2.gz UPKHFOSQTFQCSF-UHFFFAOYSA-N 1 2 419.319 3.424 50 0 HGAALO CCn1c2ccccc2n(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1=O ZINC000024705070 558608026 /nfs/dbraw/zinc/60/80/26/558608026.db2.gz MCLRVRJVFGXXHO-HXUWFJFHSA-N 1 2 423.904 3.116 50 0 HGAALO C[C@H](c1nnc(SCC(=O)NCc2cccs2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004500405 558612701 /nfs/dbraw/zinc/61/27/01/558612701.db2.gz QKOMJEOERXYLLY-CYBMUJFWSA-N 1 2 419.551 3.499 50 0 HGAALO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1NS(C)(=O)=O ZINC000024830148 558614502 /nfs/dbraw/zinc/61/45/02/558614502.db2.gz XDNHMTWKFPEGBB-UHFFFAOYSA-N 1 2 408.549 3.061 50 0 HGAALO CCOC(=O)c1ccsc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000024837647 558616461 /nfs/dbraw/zinc/61/64/61/558616461.db2.gz YZYZPJWSTUOFOB-UHFFFAOYSA-N 1 2 415.515 3.214 50 0 HGAALO CC(C)CSc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000024867737 558618033 /nfs/dbraw/zinc/61/80/33/558618033.db2.gz ZZEBJBGZDLSNEQ-UHFFFAOYSA-N 1 2 405.589 3.336 50 0 HGAALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000024894280 558619347 /nfs/dbraw/zinc/61/93/47/558619347.db2.gz GYEZXWVUDROMLX-OAHLLOKOSA-N 1 2 407.543 3.147 50 0 HGAALO COC(=O)C1=C(C[N@@H+]2CCc3sccc3C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000024900086 558619559 /nfs/dbraw/zinc/61/95/59/558619559.db2.gz LFNYEEFXDPEYFM-OAQYLSRUSA-N 1 2 423.538 3.462 50 0 HGAALO COC(=O)C1=C(C[N@H+]2CCc3sccc3C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000024900086 558619563 /nfs/dbraw/zinc/61/95/63/558619563.db2.gz LFNYEEFXDPEYFM-OAQYLSRUSA-N 1 2 423.538 3.462 50 0 HGAALO CC(C)c1c(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cnn1-c1ccc(F)cc1 ZINC000024915437 558620160 /nfs/dbraw/zinc/62/01/60/558620160.db2.gz KICKDBNRAMJIOB-UHFFFAOYSA-N 1 2 423.492 3.296 50 0 HGAALO O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025174736 558633763 /nfs/dbraw/zinc/63/37/63/558633763.db2.gz PVKXXOJRWUOKAY-UHFFFAOYSA-N 1 2 418.478 3.232 50 0 HGAALO O=C(CCNC(=O)c1ccccc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000014198855 558634982 /nfs/dbraw/zinc/63/49/82/558634982.db2.gz ZVDRPORAAMFWFG-UHFFFAOYSA-N 1 2 419.447 3.170 50 0 HGAALO CC[NH+]1CCN(c2ccc(NC(=O)CSc3n[nH]c(C4CCCC4)n3)cc2)CC1 ZINC000025244547 558635721 /nfs/dbraw/zinc/63/57/21/558635721.db2.gz LYCULWUXCVIASQ-UHFFFAOYSA-N 1 2 414.579 3.335 50 0 HGAALO O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025286054 558636794 /nfs/dbraw/zinc/63/67/94/558636794.db2.gz AWJSEOCWJOJFBK-UHFFFAOYSA-N 1 2 412.490 3.312 50 0 HGAALO CCC1(CC)CC(=O)N(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000014215231 558637713 /nfs/dbraw/zinc/63/77/13/558637713.db2.gz BBVAEOUOVUCWGT-UHFFFAOYSA-N 1 2 412.456 3.135 50 0 HGAALO CCC1(CC)CC(=O)N(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000014215231 558637715 /nfs/dbraw/zinc/63/77/15/558637715.db2.gz BBVAEOUOVUCWGT-UHFFFAOYSA-N 1 2 412.456 3.135 50 0 HGAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000026346534 558659373 /nfs/dbraw/zinc/65/93/73/558659373.db2.gz KSMUYNUFPXGUNR-QHCPKHFHSA-N 1 2 410.514 3.007 50 0 HGAALO Cc1c(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cnn1-c1ccccc1 ZINC000027144033 558670119 /nfs/dbraw/zinc/67/01/19/558670119.db2.gz HWNCNKZJTBODHN-QHCPKHFHSA-N 1 2 404.514 3.292 50 0 HGAALO COc1ccc(C)cc1C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000029158885 558710874 /nfs/dbraw/zinc/71/08/74/558710874.db2.gz NNJAVYXVBJUJCX-CYBMUJFWSA-N 1 2 401.532 3.112 50 0 HGAALO COc1ccc(C)cc1C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000029158885 558710877 /nfs/dbraw/zinc/71/08/77/558710877.db2.gz NNJAVYXVBJUJCX-CYBMUJFWSA-N 1 2 401.532 3.112 50 0 HGAALO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C(C)=O)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000015999074 558766015 /nfs/dbraw/zinc/76/60/15/558766015.db2.gz ULBVRRNILONBHC-PLACYPQZSA-N 1 2 422.868 3.453 50 0 HGAALO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C(C)=O)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000015999074 558766017 /nfs/dbraw/zinc/76/60/17/558766017.db2.gz ULBVRRNILONBHC-PLACYPQZSA-N 1 2 422.868 3.453 50 0 HGAALO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000072308170 558768861 /nfs/dbraw/zinc/76/88/61/558768861.db2.gz QSFDHFPNADAETA-OAHLLOKOSA-N 1 2 402.926 3.215 50 0 HGAALO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000072308170 558768865 /nfs/dbraw/zinc/76/88/65/558768865.db2.gz QSFDHFPNADAETA-OAHLLOKOSA-N 1 2 402.926 3.215 50 0 HGAALO COc1cccc(N2CC[NH+](Cc3cc(Br)c(O)c(OC)c3)CC2)c1 ZINC000055291827 558781913 /nfs/dbraw/zinc/78/19/13/558781913.db2.gz IRWSQXFJADLKGQ-UHFFFAOYSA-N 1 2 407.308 3.494 50 0 HGAALO COc1cc(C(C)C)c(Oc2c[nH+]c(N)nc2N)cc1I ZINC000034809174 558784501 /nfs/dbraw/zinc/78/45/01/558784501.db2.gz AATPYXMXFBBKFO-UHFFFAOYSA-N 1 2 400.220 3.170 50 0 in-vitro HGAALO O=C(Nc1ccccc1C(=O)NCC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000016624282 558796950 /nfs/dbraw/zinc/79/69/50/558796950.db2.gz QASUNDPMNLXACG-UHFFFAOYSA-N 1 2 422.312 3.308 50 0 HGAALO C[NH+]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)CC1 ZINC000038177101 558811131 /nfs/dbraw/zinc/81/11/31/558811131.db2.gz KJCNWIBVQCNNPG-ZBFHGGJFSA-N 1 2 411.403 3.070 50 0 HGAALO COc1ccc(C[NH+]2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 ZINC000017082534 558814713 /nfs/dbraw/zinc/81/47/13/558814713.db2.gz QSCIWQSJWVFLBC-UHFFFAOYSA-N 1 2 402.560 3.435 50 0 HGAALO Cc1nn(Cc2cccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)c2)c(C)c1Br ZINC000017093441 558822024 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422.481 3.386 50 0 HGAALO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000055529292 558881816 /nfs/dbraw/zinc/88/18/16/558881816.db2.gz DCGMCPLEEATNEO-LAUBAEHRSA-N 1 2 422.481 3.386 50 0 HGAALO Cc1nc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)nn1-c1ccc(F)cc1 ZINC000057995187 558893655 /nfs/dbraw/zinc/89/36/55/558893655.db2.gz NKSIKOCYAIHULW-UHFFFAOYSA-N 1 2 408.481 3.420 50 0 HGAALO Cc1c(-c2ccccc2)sc2ncnc(N3CC[NH+](CC(=O)NC4CC4)CC3)c12 ZINC000058160559 558905139 /nfs/dbraw/zinc/90/51/39/558905139.db2.gz BVLHHCWJDVTLCJ-UHFFFAOYSA-N 1 2 407.543 3.067 50 0 HGAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)C[C@@H]2COc3ccccc3O2)c1C ZINC000058175466 558909458 /nfs/dbraw/zinc/90/94/58/558909458.db2.gz ZNDKUVJLMPMAKP-JKSUJKDBSA-N 1 2 400.475 3.151 50 0 HGAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1C ZINC000058175466 558909459 /nfs/dbraw/zinc/90/94/59/558909459.db2.gz ZNDKUVJLMPMAKP-JKSUJKDBSA-N 1 2 400.475 3.151 50 0 HGAALO 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Cc1cccc(NC(=S)N2CCC3(CC2)[NH2+][C@@H](CC(C)C)C(=O)N3C2CC2)c1 ZINC000036032755 569079986 /nfs/dbraw/zinc/07/99/86/569079986.db2.gz NXTWMEPBDYPZKO-IBGZPJMESA-N 1 2 400.592 3.493 50 0 HGAALO O=C(/C=C/c1ccccc1)N1CC[NH+]([C@@H](C(=O)NCc2ccco2)C2CCCC2)CC1 ZINC000036251720 569119524 /nfs/dbraw/zinc/11/95/24/569119524.db2.gz DCJIENXRCOULFQ-JHUUHBRDSA-N 1 2 421.541 3.312 50 0 HGAALO Cc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)NCc3ccccn3)C3CCCC3)CC2)cc1 ZINC000036253403 569119971 /nfs/dbraw/zinc/11/99/71/569119971.db2.gz VBHBBFGCNOPFAF-QHCPKHFHSA-N 1 2 420.557 3.023 50 0 HGAALO CC[C@H](C)CNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036254350 569120130 /nfs/dbraw/zinc/12/01/30/569120130.db2.gz UXHPIROPJZLDQQ-UWJYYQICSA-N 1 2 403.542 3.305 50 0 HGAALO CC(C)CC(=O)N1CC[NH+]([C@H](C(=O)NCc2ccccc2F)C2CCCC2)CC1 ZINC000036255435 569120225 /nfs/dbraw/zinc/12/02/25/569120225.db2.gz BFDWPFOBYZREHA-QFIPXVFZSA-N 1 2 403.542 3.191 50 0 HGAALO O=C(c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000169759593 569161308 /nfs/dbraw/zinc/16/13/08/569161308.db2.gz SMUKFOJWOYAHMS-FQEVSTJZSA-N 1 2 423.904 3.165 50 0 HGAALO O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn21)NCC[NH+]1CCOCC1 ZINC000065061174 569165078 /nfs/dbraw/zinc/16/50/78/569165078.db2.gz KBSLITSWSJBIPM-UHFFFAOYSA-N 1 2 412.921 3.036 50 0 HGAALO Cc1noc(C)c1CC(=O)N1CC[C@@]2(C1)[NH2+]Cc1ccccc1NC2=NC1CCCC1 ZINC000065265916 569213104 /nfs/dbraw/zinc/21/31/04/569213104.db2.gz HAFZQSIDDOSWAC-DEOSSOPVSA-N 1 2 421.545 3.171 50 0 HGAALO CC(C)(C)N=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000065265971 569213106 /nfs/dbraw/zinc/21/31/06/569213106.db2.gz YXOZOGZXQLYTCD-XMMPIXPASA-N 1 2 420.513 3.222 50 0 HGAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCCC1)Nc1ccccc1Br ZINC000065294998 569218640 /nfs/dbraw/zinc/21/86/40/569218640.db2.gz KJPFWOKCORARGX-UHFFFAOYSA-N 1 2 415.295 3.218 50 0 HGAALO O=C(COc1ccccc1-c1ccccc1)NCc1ccc(C[NH+]2CCOCC2)o1 ZINC000170595044 569241543 /nfs/dbraw/zinc/24/15/43/569241543.db2.gz DSARTMZAAQZJAY-UHFFFAOYSA-N 1 2 406.482 3.474 50 0 HGAALO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cc(Br)ccn3)CC2)cc1 ZINC000170620410 569248682 /nfs/dbraw/zinc/24/86/82/569248682.db2.gz DHKFBKLBYVZWOA-UHFFFAOYSA-N 1 2 403.324 3.309 50 0 HGAALO C[NH+](C)c1ccc(N2CCC(NC(=O)c3cc(Br)ccn3)CC2)cc1 ZINC000170620410 569248683 /nfs/dbraw/zinc/24/86/83/569248683.db2.gz DHKFBKLBYVZWOA-UHFFFAOYSA-N 1 2 403.324 3.309 50 0 HGAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)C1 ZINC000007548213 569249074 /nfs/dbraw/zinc/24/90/74/569249074.db2.gz FMHSJMBLKIMQJS-OAHLLOKOSA-N 1 2 403.504 3.032 50 0 HGAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)C1 ZINC000007548213 569249075 /nfs/dbraw/zinc/24/90/75/569249075.db2.gz FMHSJMBLKIMQJS-OAHLLOKOSA-N 1 2 403.504 3.032 50 0 HGAALO Cc1nc(CN(C)c2nc(NC3CC3)[nH+]c(N(C)Cc3csc(C)n3)n2)cs1 ZINC000089712414 569263068 /nfs/dbraw/zinc/26/30/68/569263068.db2.gz YZHJJFIJIHWINR-UHFFFAOYSA-N 1 2 416.580 3.249 50 0 HGAALO Cc1nc(CN(C)c2nc(NC3CC3)nc(N(C)Cc3csc(C)n3)[nH+]2)cs1 ZINC000089712414 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FC(F)(F)c1ccc(N2CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)nc1 ZINC000004324556 132275415 /nfs/dbraw/zinc/27/54/15/132275415.db2.gz NXPVHLBNNYVZNP-HXUWFJFHSA-N 1 2 420.479 3.123 50 0 HGAALO FC(F)(F)c1ccc(N2CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)nc1 ZINC000004324556 132275417 /nfs/dbraw/zinc/27/54/17/132275417.db2.gz NXPVHLBNNYVZNP-HXUWFJFHSA-N 1 2 420.479 3.123 50 0 HGAALO CCOc1ccccc1CN1CC[N@H+](Cc2cc(OC)ccc2OC)C[C@@H]1CCO ZINC000020599329 521485107 /nfs/dbraw/zinc/48/51/07/521485107.db2.gz LRFMMEMNOXFXTJ-NRFANRHFSA-N 1 2 414.546 3.171 50 0 HGAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cc(OC)ccc2OC)C[C@@H]1CCO ZINC000020599329 521485113 /nfs/dbraw/zinc/48/51/13/521485113.db2.gz LRFMMEMNOXFXTJ-NRFANRHFSA-N 1 2 414.546 3.171 50 0 HGAALO CC[NH+]1CCN(c2c3cc(OC)ccc3ncc2S(=O)(=O)c2ccccc2)CC1 ZINC000020381917 521696823 /nfs/dbraw/zinc/69/68/23/521696823.db2.gz ULIFBKPSGDOCSR-UHFFFAOYSA-N 1 2 411.527 3.218 50 0 HGAALO CCN1C[C@@H](C[N@H+](C)Cc2nc(N)nc(Nc3ccccc3C)n2)Oc2ccccc21 ZINC000032797334 521727443 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557369719 /nfs/dbraw/zinc/36/97/19/557369719.db2.gz SBOSWLMTLYVDCN-UHFFFAOYSA-N 1 2 418.497 3.122 50 0 HGAALO CC(C)(C)NC(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000022851301 557839187 /nfs/dbraw/zinc/83/91/87/557839187.db2.gz PSPWEZNVLUFDOC-FQEVSTJZSA-N 1 2 424.545 3.376 50 0 HGAALO Cc1cccn2cc(CNC(=O)CCc3nnc(CCCc4ccccc4)o3)[nH+]c12 ZINC000011664188 558267906 /nfs/dbraw/zinc/26/79/06/558267906.db2.gz XLMUUAGGFJQVAS-UHFFFAOYSA-N 1 2 403.486 3.450 50 0 HGAALO COc1cccc(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)c1OC ZINC000019781679 558281083 /nfs/dbraw/zinc/28/10/83/558281083.db2.gz YIALFRZXPAIBEP-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO COc1cccc(CN2CC[NH+](Cc3cc(OC)c(OC)cc3OC)CC2)c1OC ZINC000019781679 558281084 /nfs/dbraw/zinc/28/10/84/558281084.db2.gz YIALFRZXPAIBEP-UHFFFAOYSA-N 1 2 416.518 3.047 50 0 HGAALO COc1ccc(CN(CC[NH+]2CCOCC2)C(=S)Nc2ccccc2)cc1OC ZINC000019827901 558291254 /nfs/dbraw/zinc/29/12/54/558291254.db2.gz MNYQTWOOXKOBEV-UHFFFAOYSA-N 1 2 415.559 3.235 50 0 HGAALO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH+]1CCN(CCO)CC1 ZINC000019835780 558292701 /nfs/dbraw/zinc/29/27/01/558292701.db2.gz RTVJMQYSEWGFNP-UHFFFAOYSA-N 1 2 412.484 3.236 50 0 HGAALO CCCC(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019878061 558300317 /nfs/dbraw/zinc/30/03/17/558300317.db2.gz ANJWIOTYYPHYJF-UHFFFAOYSA-N 1 2 409.486 3.112 50 0 HGAALO Cc1cc(Cl)ccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019954024 558315041 /nfs/dbraw/zinc/31/50/41/558315041.db2.gz HMUXJYPZZIRAAA-UHFFFAOYSA-N 1 2 401.894 3.133 50 0 HGAALO Cc1c(C)n(C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2ccccc12 ZINC000020065697 558330351 /nfs/dbraw/zinc/33/03/51/558330351.db2.gz SDOSXTRMEJLXOW-UHFFFAOYSA-N 1 2 405.498 3.445 50 0 HGAALO C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000012137654 558334354 /nfs/dbraw/zinc/33/43/54/558334354.db2.gz XSGHPAGURVSXOQ-HNNXBMFYSA-N 1 2 401.894 3.134 50 0 HGAALO O=c1c2c3c(sc2n2nnnc2n1-c1ccccc1)C[N@H+](Cc1ccccc1)CC3 ZINC000020130077 558337007 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Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](c1cccs1)C2 ZINC000018223057 558834104 /nfs/dbraw/zinc/83/41/04/558834104.db2.gz QXKMQRVPBHCSHG-MRXNPFEDSA-N 1 2 405.527 3.481 50 0 HGAALO C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000023023155 558865136 /nfs/dbraw/zinc/86/51/36/558865136.db2.gz GVGCEGBLSGHUKQ-INIZCTEOSA-N 1 2 405.493 3.123 50 0 HGAALO COc1cccc(CNC(=O)C2CCN(c3[nH]c4ccc(C)cc4[nH+]3)CC2)c1OC ZINC000033070865 558866360 /nfs/dbraw/zinc/86/63/60/558866360.db2.gz UWUSMUYIOWUCMV-UHFFFAOYSA-N 1 2 408.502 3.421 50 0 HGAALO COc1cccc(CNC(=O)C2CCN(c3[nH]c4cc(C)ccc4[nH+]3)CC2)c1OC ZINC000033070865 558866363 /nfs/dbraw/zinc/86/63/63/558866363.db2.gz UWUSMUYIOWUCMV-UHFFFAOYSA-N 1 2 408.502 3.421 50 0 HGAALO COc1cc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc(OC)c1OC ZINC000033071825 558866854 /nfs/dbraw/zinc/86/68/54/558866854.db2.gz BDLMYBNADIMDHT-INIZCTEOSA-N 1 2 424.501 3.122 50 0 HGAALO Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@]21NC(=N)NC(Nc2ccccc2)=[NH+]1 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558935289 /nfs/dbraw/zinc/93/52/89/558935289.db2.gz KOXFRBDNOKUUND-UHFFFAOYSA-N 1 2 404.514 3.405 50 0 HGAALO C[NH+]1CCN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 ZINC000019589759 558940646 /nfs/dbraw/zinc/94/06/46/558940646.db2.gz QYPSTRCWXGWUHR-UHFFFAOYSA-N 1 2 402.467 3.090 50 0 HGAALO COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000021816717 558953681 /nfs/dbraw/zinc/95/36/81/558953681.db2.gz LHOAEWBGXFRIQT-LJQANCHMSA-N 1 2 413.905 3.111 50 0 HGAALO CCn1cc[nH+]c1CN(C)C(=O)c1cc(-c2cnc(N)nc2)nc2c(C)cccc12 ZINC000063883994 558960978 /nfs/dbraw/zinc/96/09/78/558960978.db2.gz CODCJICZPIMXNW-UHFFFAOYSA-N 1 2 401.474 3.071 50 0 HGAALO C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1=O ZINC000022290443 558987195 /nfs/dbraw/zinc/98/71/95/558987195.db2.gz RYBZHQWUVIXKQK-HNNXBMFYSA-N 1 2 414.531 3.272 50 0 HGAALO CC[C@@H]1C=CCN1C(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000067757048 558992442 /nfs/dbraw/zinc/99/24/42/558992442.db2.gz KOCOUVQVLNFDAO-VMLCMGRWSA-N 1 2 406.530 3.296 50 0 HGAALO c1nc(-c2c(-c3ccccc3)ncn2C[C@H](c2ccncc2)[NH+]2CCOCC2)c[nH]1 ZINC000067881265 558994397 /nfs/dbraw/zinc/99/43/97/558994397.db2.gz IXPYHNTXNMWGIJ-OAQYLSRUSA-N 1 2 400.486 3.409 50 0 HGAALO CCOC(=O)c1c2c(sc1NC(=O)c1ccnn1C)C[N@@H+](Cc1ccccc1)CC2 ZINC000023128145 559016252 /nfs/dbraw/zinc/01/62/52/559016252.db2.gz FQYGVPKIYFMMSB-UHFFFAOYSA-N 1 2 424.526 3.469 50 0 HGAALO CCOC(=O)c1c2c(sc1NC(=O)c1ccnn1C)C[N@H+](Cc1ccccc1)CC2 ZINC000023128145 559016254 /nfs/dbraw/zinc/01/62/54/559016254.db2.gz FQYGVPKIYFMMSB-UHFFFAOYSA-N 1 2 424.526 3.469 50 0 HGAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(cc(F)cc3F)s2)on1 ZINC000023128095 559016325 /nfs/dbraw/zinc/01/63/25/559016325.db2.gz CBZLVBHEJURUJB-UHFFFAOYSA-N 1 2 422.457 3.240 50 0 HGAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(C(C)C)cc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000023157175 559022158 /nfs/dbraw/zinc/02/21/58/559022158.db2.gz UQLMHFLQPJFXEJ-KRWDZBQOSA-N 1 2 413.547 3.215 50 0 HGAALO COCCN(Cc1cccnc1)C(=O)[C@H](c1cc(Br)cs1)[NH+](C)C 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1 2 401.850 3.046 50 0 HGAALO COC(=O)c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000014098410 560839244 /nfs/dbraw/zinc/83/92/44/560839244.db2.gz LFSIULLQNUFYRF-UHFFFAOYSA-N 1 2 422.934 3.023 50 0 HGAALO COC(=O)c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000014098410 560839246 /nfs/dbraw/zinc/83/92/46/560839246.db2.gz LFSIULLQNUFYRF-UHFFFAOYSA-N 1 2 422.934 3.023 50 0 HGAALO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000104105026 560848278 /nfs/dbraw/zinc/84/82/78/560848278.db2.gz VYYSZMUBFPPVGD-KSZLIROESA-N 1 2 420.985 3.074 50 0 HGAALO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000036753914 560884237 /nfs/dbraw/zinc/88/42/37/560884237.db2.gz IOYMEMORLBWKII-UHFFFAOYSA-N 1 2 421.419 3.252 50 0 HGAALO CC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000036753914 560884239 /nfs/dbraw/zinc/88/42/39/560884239.db2.gz IOYMEMORLBWKII-UHFFFAOYSA-N 1 2 421.419 3.252 50 0 HGAALO COCCOc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000108150181 560898145 /nfs/dbraw/zinc/89/81/45/560898145.db2.gz KBLYSQCYCYLNHD-RTWAWAEBSA-N 1 2 418.921 3.167 50 0 HGAALO COCCOc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000108150181 560898146 /nfs/dbraw/zinc/89/81/46/560898146.db2.gz KBLYSQCYCYLNHD-RTWAWAEBSA-N 1 2 418.921 3.167 50 0 HGAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1ccc(N2CCNC2=O)cc1 ZINC000048248228 568433214 /nfs/dbraw/zinc/43/32/14/568433214.db2.gz YADGWAOTLXMPMV-UHFFFAOYSA-N 1 2 408.506 3.313 50 0 HGAALO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048303308 568436079 /nfs/dbraw/zinc/43/60/79/568436079.db2.gz PCVDEEDBHJOHEX-QFIPXVFZSA-N 1 2 406.530 3.052 50 0 HGAALO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)s1 ZINC000048313391 568439149 /nfs/dbraw/zinc/43/91/49/568439149.db2.gz DHCSLJKVFTZLHA-CQSZACIVSA-N 1 2 412.515 3.434 50 0 HGAALO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)s1 ZINC000048313391 568439150 /nfs/dbraw/zinc/43/91/50/568439150.db2.gz DHCSLJKVFTZLHA-CQSZACIVSA-N 1 2 412.515 3.434 50 0 HGAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000048355903 568441631 /nfs/dbraw/zinc/44/16/31/568441631.db2.gz WPOYFLPFSIEIER-SFHVURJKSA-N 1 2 412.559 3.445 50 0 HGAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000022784070 568499611 /nfs/dbraw/zinc/49/96/11/568499611.db2.gz SPABTXVXMBLNDW-HXUWFJFHSA-N 1 2 414.594 3.039 50 0 HGAALO CC1CCN(C(=O)[C@@H]2c3ccccc3CC[N@H+]2CC(=O)NCc2ccc(F)cc2)CC1 ZINC000033312852 568513736 /nfs/dbraw/zinc/51/37/36/568513736.db2.gz BPQHVCSMMKPVET-DEOSSOPVSA-N 1 2 423.532 3.300 50 0 HGAALO CC1CCN(C(=O)[C@@H]2c3ccccc3CC[N@@H+]2CC(=O)NCc2ccc(F)cc2)CC1 ZINC000033312852 568513737 /nfs/dbraw/zinc/51/37/37/568513737.db2.gz BPQHVCSMMKPVET-DEOSSOPVSA-N 1 2 423.532 3.300 50 0 HGAALO CC1CCN(C(=O)[C@H]2c3ccccc3CC[N@H+]2CC(=O)NCc2ccc(F)cc2)CC1 ZINC000033312851 568513752 /nfs/dbraw/zinc/51/37/52/568513752.db2.gz 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O=c1cc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc3c(cc2o1)CCC3 ZINC000020503000 568619590 /nfs/dbraw/zinc/61/95/90/568619590.db2.gz FXTHRKSSLJROPW-UHFFFAOYSA-N 1 2 418.493 3.328 50 0 HGAALO O=c1cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cc3c(cc2o1)CCC3 ZINC000020503000 568619591 /nfs/dbraw/zinc/61/95/91/568619591.db2.gz FXTHRKSSLJROPW-UHFFFAOYSA-N 1 2 418.493 3.328 50 0 HGAALO Cn1cccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000021153478 568672908 /nfs/dbraw/zinc/67/29/08/568672908.db2.gz KCWYCHDWCSYFHK-QFIPXVFZSA-N 1 2 413.518 3.242 50 0 HGAALO Cn1cccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000021153478 568672911 /nfs/dbraw/zinc/67/29/11/568672911.db2.gz KCWYCHDWCSYFHK-QFIPXVFZSA-N 1 2 413.518 3.242 50 0 HGAALO COCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021158925 568674073 /nfs/dbraw/zinc/67/40/73/568674073.db2.gz DKXMMVUKMDZIKJ-UHFFFAOYSA-N 1 2 410.493 3.203 50 0 HGAALO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(C(=O)Cc4ccccc4)CC3)c2c1 ZINC000021173302 568676828 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C[NH+]1CCN([C@H](c2ccc(F)cc2)C2Sc3nc(-c4ccco4)nn3C2=O)CC1 ZINC000022577380 568770201 /nfs/dbraw/zinc/77/02/01/568770201.db2.gz CAFJOBYJAIIIHT-MRXNPFEDSA-N 1 2 413.478 3.232 50 0 HGAALO O=C1C[C@H](N2CC[NH+](C/C=C\c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000022580447 568770692 /nfs/dbraw/zinc/77/06/92/568770692.db2.gz ZKZKFZJHYWQMDG-DPVXCJKMSA-N 1 2 409.917 3.303 50 0 HGAALO CCOC(=O)C1CC[NH+]([C@@H](c2ccc(C)cc2)C2Sc3ncnn3C2=O)CC1 ZINC000022609236 568771642 /nfs/dbraw/zinc/77/16/42/568771642.db2.gz NBSNAAIPIWRFCU-INIZCTEOSA-N 1 2 400.504 3.169 50 0 HGAALO COc1ccc([C@H](C2Sc3ncnn3C2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022609447 568771775 /nfs/dbraw/zinc/77/17/75/568771775.db2.gz ALPZGXZXMWFFLN-LJQANCHMSA-N 1 2 421.526 3.417 50 0 HGAALO Cc1cc(C)n(-c2ccc(CCC(=O)N3CC[NH+](Cc4cccnc4)CC3)cc2)n1 ZINC000225605081 568775996 /nfs/dbraw/zinc/77/59/96/568775996.db2.gz AYJDQFLGEVUMJU-UHFFFAOYSA-N 1 2 403.530 3.161 50 0 HGAALO CCOc1cc(/C=C/C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1OC ZINC000057054144 568823683 /nfs/dbraw/zinc/82/36/83/568823683.db2.gz WGFJHENSHGNUDY-PKNBQFBNSA-N 1 2 409.530 3.493 50 0 HGAALO O=C(c1cc(-c2cccc(Cl)c2)n[nH]1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000057413341 568833415 /nfs/dbraw/zinc/83/34/15/568833415.db2.gz KRLDAUDVPGGXMW-UHFFFAOYSA-N 1 2 424.888 3.417 50 0 HGAALO COC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057414912 568833508 /nfs/dbraw/zinc/83/35/08/568833508.db2.gz GWQNDMWNYAKVRY-HXUWFJFHSA-N 1 2 411.889 3.179 50 0 HGAALO COC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057414912 568833510 /nfs/dbraw/zinc/83/35/10/568833510.db2.gz GWQNDMWNYAKVRY-HXUWFJFHSA-N 1 2 411.889 3.179 50 0 HGAALO COc1ccccc1[C@H](NC(=O)c1nc(SC)ncc1Cl)c1[nH+]ccn1C ZINC000012535494 568845263 /nfs/dbraw/zinc/84/52/63/568845263.db2.gz UQGFMQMSBQTGTF-AWEZNQCLSA-N 1 2 403.895 3.113 50 0 HGAALO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)o1 ZINC000003058586 568852102 /nfs/dbraw/zinc/85/21/02/568852102.db2.gz JAXWFAJYCDORSG-QGZVFWFLSA-N 1 2 404.532 3.166 50 0 HGAALO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000003058586 568852103 /nfs/dbraw/zinc/85/21/03/568852103.db2.gz JAXWFAJYCDORSG-QGZVFWFLSA-N 1 2 404.532 3.166 50 0 HGAALO C[C@@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012601183 568870054 /nfs/dbraw/zinc/87/00/54/568870054.db2.gz DMTYVRXLRCXNNP-GOSISDBHSA-N 1 2 415.497 3.466 50 0 HGAALO Cc1cccn2cc(CN3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CCC3=O)[nH+]c12 ZINC000299784477 568875468 /nfs/dbraw/zinc/87/54/68/568875468.db2.gz XIARLORPUODEOP-UHFFFAOYSA-N 1 2 420.557 3.420 50 0 HGAALO COc1cccc(C(=O)NC[C@@H](c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000058133874 568890018 /nfs/dbraw/zinc/89/00/18/568890018.db2.gz AWKBGZLYUYRGQM-DEOSSOPVSA-N 1 2 416.525 3.384 50 0 HGAALO Cc1cc(N2CCN(C(=O)c3ccc(OC[C@@H]4CCCO4)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000031493629 568926916 /nfs/dbraw/zinc/92/69/16/568926916.db2.gz BCVPXHQSFAEJCM-NRFANRHFSA-N 1 2 424.545 3.429 50 0 HGAALO Cc1cc(=O)c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000012757374 568943007 /nfs/dbraw/zinc/94/30/07/568943007.db2.gz KAZXXHPNFFBHJF-FQEVSTJZSA-N 1 2 422.916 3.323 50 0 HGAALO Cc1cc(=O)c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000012757374 568943008 /nfs/dbraw/zinc/94/30/08/568943008.db2.gz KAZXXHPNFFBHJF-FQEVSTJZSA-N 1 2 422.916 3.323 50 0 HGAALO CCOC(=O)c1sc2nc(C)cc(COC)c2c1NC(=O)C[NH+]1CCCCC1 ZINC000004191084 568950261 /nfs/dbraw/zinc/95/02/61/568950261.db2.gz KMYKNCACXFHTTL-UHFFFAOYSA-N 1 2 405.520 3.352 50 0 HGAALO Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000012779618 568956723 /nfs/dbraw/zinc/95/67/23/568956723.db2.gz JAKQYPBBYUGIPW-UHFFFAOYSA-N 1 2 407.565 3.001 50 0 HGAALO O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000012780179 568957046 /nfs/dbraw/zinc/95/70/46/568957046.db2.gz PJQUDPYBCHBEFE-QFIPXVFZSA-N 1 2 404.510 3.481 50 0 HGAALO O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000012780179 568957047 /nfs/dbraw/zinc/95/70/47/568957047.db2.gz PJQUDPYBCHBEFE-QFIPXVFZSA-N 1 2 404.510 3.481 50 0 HGAALO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007988552 568965999 /nfs/dbraw/zinc/96/59/99/568965999.db2.gz ZIFLTYDBOGEVIP-WAIKUNEKSA-N 1 2 415.497 3.278 50 0 HGAALO CC[N@H+](CCCNC(=O)CCC(=O)N1CCCn2nc(C)cc21)c1cccc(C)c1 ZINC000015728838 568979279 /nfs/dbraw/zinc/97/92/79/568979279.db2.gz GRGXLJHLVSHYRC-UHFFFAOYSA-N 1 2 411.550 3.050 50 0 HGAALO CC[N@@H+](CCCNC(=O)CCC(=O)N1CCCn2nc(C)cc21)c1cccc(C)c1 ZINC000015728838 568979280 /nfs/dbraw/zinc/97/92/80/568979280.db2.gz GRGXLJHLVSHYRC-UHFFFAOYSA-N 1 2 411.550 3.050 50 0 HGAALO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020419162 569007950 /nfs/dbraw/zinc/00/79/50/569007950.db2.gz KLDUICCEZSJTCY-OAQYLSRUSA-N 1 2 416.949 3.490 50 0 HGAALO CCC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020419162 569007951 /nfs/dbraw/zinc/00/79/51/569007951.db2.gz KLDUICCEZSJTCY-OAQYLSRUSA-N 1 2 416.949 3.490 50 0 HGAALO Cc1ccc(CN2CC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)o1 ZINC000104486532 569008787 /nfs/dbraw/zinc/00/87/87/569008787.db2.gz GWLDZMLPKZMHBH-HXUWFJFHSA-N 1 2 408.502 3.239 50 0 HGAALO Cc1ccc(CN2CC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)o1 ZINC000104486532 569008788 /nfs/dbraw/zinc/00/87/88/569008788.db2.gz GWLDZMLPKZMHBH-HXUWFJFHSA-N 1 2 408.502 3.239 50 0 HGAALO CCc1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1 ZINC000035430665 569036765 /nfs/dbraw/zinc/03/67/65/569036765.db2.gz MRJSZRZLOOYKRT-UHFFFAOYSA-N 1 2 418.541 3.216 50 0 biogenic HGAALO Cc1ccc(OCc2nc(CC(=O)N3CCN(c4cccc[nH+]4)CC3)cs2)cc1 ZINC000018185177 569047193 /nfs/dbraw/zinc/04/71/93/569047193.db2.gz VAWOCYVOWJANTE-UHFFFAOYSA-N 1 2 408.527 3.317 50 0 HGAALO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC[NH+]2CCOCC2)c1 ZINC000012997006 569048287 /nfs/dbraw/zinc/04/82/87/569048287.db2.gz SVALAKOYWMSGSJ-UHFFFAOYSA-N 1 2 408.477 3.049 50 0 HGAALO Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524730169 569051637 /nfs/dbraw/zinc/05/16/37/569051637.db2.gz YHPBADKBWDKNOE-KBXCAEBGSA-N 1 2 418.921 3.384 50 0 biogenic HGAALO Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524730169 569051638 /nfs/dbraw/zinc/05/16/38/569051638.db2.gz YHPBADKBWDKNOE-KBXCAEBGSA-N 1 2 418.921 3.384 50 0 biogenic HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000245326868 569055942 /nfs/dbraw/zinc/05/59/42/569055942.db2.gz MQFONYWUEWYXHW-WCIQWLHISA-N 1 2 408.885 3.484 50 0 HGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000245326868 569055943 /nfs/dbraw/zinc/05/59/43/569055943.db2.gz MQFONYWUEWYXHW-WCIQWLHISA-N 1 2 408.885 3.484 50 0 HGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H](C)c4cnn(C)c4)csc3C2)nc1 ZINC000426412325 569072723 /nfs/dbraw/zinc/07/27/23/569072723.db2.gz CKRVZALYJJGTFF-OAHLLOKOSA-N 1 2 409.559 3.488 50 0 HGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H](C)c4cnn(C)c4)csc3C2)nc1 ZINC000426412325 569072724 /nfs/dbraw/zinc/07/27/24/569072724.db2.gz CKRVZALYJJGTFF-OAHLLOKOSA-N 1 2 409.559 3.488 50 0 HGAALO Cc1nnc(CNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)s1 ZINC000426440291 569073096 /nfs/dbraw/zinc/07/30/96/569073096.db2.gz ODVGRYXSTWLWPM-UHFFFAOYSA-N 1 2 403.533 3.001 50 0 HGAALO Cc1nnc(CNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)s1 ZINC000426440291 569073097 /nfs/dbraw/zinc/07/30/97/569073097.db2.gz ODVGRYXSTWLWPM-UHFFFAOYSA-N 1 2 403.533 3.001 50 0 HGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCC[C@H]3CCCOC3)csc2C1 ZINC000426647909 569073723 /nfs/dbraw/zinc/07/37/23/569073723.db2.gz KRZAMWOOBIUKEV-MRXNPFEDSA-N 1 2 403.548 3.458 50 0 HGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC[C@H]3CCCOC3)csc2C1 ZINC000426647909 569073724 /nfs/dbraw/zinc/07/37/24/569073724.db2.gz KRZAMWOOBIUKEV-MRXNPFEDSA-N 1 2 403.548 3.458 50 0 HGAALO Cc1cc(O[C@@H](C)C(=O)NCCCn2cc[nH+]c2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000006659665 569083869 /nfs/dbraw/zinc/08/38/69/569083869.db2.gz SVQWOTNNPUMBML-INIZCTEOSA-N 1 2 409.486 3.151 50 0 HGAALO CCc1cc(N2CCCC2)nc(SCc2ccc(C(=O)NCCOC)cc2)[nH+]1 ZINC000006802115 569129628 /nfs/dbraw/zinc/12/96/28/569129628.db2.gz QVXGPDQODBBZHS-UHFFFAOYSA-N 1 2 400.548 3.308 50 0 HGAALO CC[NH+]1CCN(C(=O)c2c(=O)n(-c3ccc(C)cc3)cc3c2CC(C)(C)CC3=O)CC1 ZINC000065000391 569150986 /nfs/dbraw/zinc/15/09/86/569150986.db2.gz HQHAEOKXRFOKEO-UHFFFAOYSA-N 1 2 421.541 3.079 50 0 HGAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCN(c3cccc(OC)c3)CC2)c1C ZINC000036385049 569159882 /nfs/dbraw/zinc/15/98/82/569159882.db2.gz IUZYESXTIAJOOK-QGZVFWFLSA-N 1 2 413.518 3.210 50 0 HGAALO O=C(Nc1cccc(Br)c1)c1cn(-c2cc(N3CCCC3)[nH+]cn2)cn1 ZINC000065239838 569203505 /nfs/dbraw/zinc/20/35/05/569203505.db2.gz BNLDTFPJXZTGEI-UHFFFAOYSA-N 1 2 413.279 3.277 50 0 HGAALO CC1CCN(c2cc(-n3cnc(C(=O)Nc4ccc(N(C)C)cc4)c3)nc[nH+]2)CC1 ZINC000065239864 569203685 /nfs/dbraw/zinc/20/36/85/569203685.db2.gz WWSGUQAJYJGVJN-UHFFFAOYSA-N 1 2 405.506 3.217 50 0 HGAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)n2)n1 ZINC000065240364 569203758 /nfs/dbraw/zinc/20/37/58/569203758.db2.gz JXPWZOABBDXLRO-GOSISDBHSA-N 1 2 404.518 3.373 50 0 HGAALO Cc1nn(C(F)F)cc1S(=O)(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000036614808 569206747 /nfs/dbraw/zinc/20/67/47/569206747.db2.gz IVHGFQYRZGOOHI-UHFFFAOYSA-N 1 2 420.485 3.246 50 0 HGAALO COc1cccc(CNC(=O)CCC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)c1 ZINC000065274292 569215088 /nfs/dbraw/zinc/21/50/88/569215088.db2.gz OECPJFSRHMKZPB-UHFFFAOYSA-N 1 2 409.534 3.373 50 0 HGAALO COc1cccc(CNC(=O)CCC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)c1 ZINC000065274292 569215089 /nfs/dbraw/zinc/21/50/89/569215089.db2.gz OECPJFSRHMKZPB-UHFFFAOYSA-N 1 2 409.534 3.373 50 0 HGAALO CCCc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700241 569222612 /nfs/dbraw/zinc/22/26/12/569222612.db2.gz UGEAMOBNZNIPKZ-JOCHJYFZSA-N 1 2 402.560 3.381 50 0 HGAALO CCCc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700241 569222613 /nfs/dbraw/zinc/22/26/13/569222613.db2.gz UGEAMOBNZNIPKZ-JOCHJYFZSA-N 1 2 402.560 3.381 50 0 HGAALO C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007322697 569233635 /nfs/dbraw/zinc/23/36/35/569233635.db2.gz UKDCSIKMBGIYEI-MRXNPFEDSA-N 1 2 410.499 3.039 50 0 HGAALO CCOC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccccc3OCC)CC2)cc1 ZINC000055060336 569380739 /nfs/dbraw/zinc/38/07/39/569380739.db2.gz XHFPFFZAVYDRCY-UHFFFAOYSA-N 1 2 411.502 3.023 50 0 HGAALO Cc1ccc2c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1C ZINC000019352222 569420126 /nfs/dbraw/zinc/42/01/26/569420126.db2.gz GILNENKPNRBYRD-UHFFFAOYSA-N 1 2 406.482 3.456 50 0 HGAALO Cc1ccc2c(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1C ZINC000019352222 569420128 /nfs/dbraw/zinc/42/01/28/569420128.db2.gz GILNENKPNRBYRD-UHFFFAOYSA-N 1 2 406.482 3.456 50 0 HGAALO CC1(C)C[NH+]=C(N2CCN(c3ncnc4ccc(Br)cc43)CC2)S1 ZINC000079064101 569426357 /nfs/dbraw/zinc/42/63/57/569426357.db2.gz RZLKHJQGAFZKID-UHFFFAOYSA-N 1 2 406.353 3.396 50 0 HGAALO CCCCn1c2nc(C[N@@H+]3C[C@@H]4CCCC[C@@]43c3ccccc3)n(C)c2c(=O)[nH]c1=O ZINC000079103729 569427603 /nfs/dbraw/zinc/42/76/03/569427603.db2.gz KSGBSVWXXJAPHS-MHECFPHRSA-N 1 2 421.545 3.125 50 0 HGAALO CCCCn1c2nc(C[N@H+]3C[C@@H]4CCCC[C@@]43c3ccccc3)n(C)c2c(=O)[nH]c1=O ZINC000079103729 569427604 /nfs/dbraw/zinc/42/76/04/569427604.db2.gz KSGBSVWXXJAPHS-MHECFPHRSA-N 1 2 421.545 3.125 50 0 HGAALO COc1cccc(C(=O)C[C@]2(O)c3ccccc3N(C[NH+]3CCCCCC3)C2=O)c1 ZINC000008569931 571081999 /nfs/dbraw/zinc/08/19/99/571081999.db2.gz OTKWGJMRQMGFFW-DEOSSOPVSA-N 1 2 408.498 3.336 50 0 HGAALO O=C(CCc1nc(-c2ccncc2)no1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000040033622 571141130 /nfs/dbraw/zinc/14/11/30/571141130.db2.gz XKSNYKYEZQSFJG-UHFFFAOYSA-N 1 2 411.893 3.062 50 0 HGAALO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@H]1CCCc2ccccc21 ZINC000008918773 571154593 /nfs/dbraw/zinc/15/45/93/571154593.db2.gz FPUYVTOEUXDCFD-FQEVSTJZSA-N 1 2 404.514 3.160 50 0 HGAALO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)cc1 ZINC000040107184 571167646 /nfs/dbraw/zinc/16/76/46/571167646.db2.gz LFIYOCLXSUXHKJ-UHFFFAOYSA-N 1 2 410.276 3.189 50 0 HGAALO COc1ccc([C@@H](CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)NC(C)=O)cc1 ZINC000040122077 571177970 /nfs/dbraw/zinc/17/79/70/571177970.db2.gz BMIROQDUQZCVPE-JOCHJYFZSA-N 1 2 424.545 3.354 50 0 HGAALO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000245026678 571212136 /nfs/dbraw/zinc/21/21/36/571212136.db2.gz NFVXKCMWGJUPEJ-HNNXBMFYSA-N 1 2 420.478 3.367 50 0 HGAALO O=C(COc1ccc2c(c1)CCC2)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000069433272 571227916 /nfs/dbraw/zinc/22/79/16/571227916.db2.gz VBQITFNAHMLEKT-UHFFFAOYSA-N 1 2 400.276 3.281 50 0 HGAALO Cc1ccc2[nH+]c(CSc3nnc(N4CCOCC4)n3-c3cccc(F)c3)cn2c1 ZINC000009731674 571282923 /nfs/dbraw/zinc/28/29/23/571282923.db2.gz VHLWRPZIDDFDOT-UHFFFAOYSA-N 1 2 424.505 3.491 50 0 HGAALO