smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CN1C(=O)C(=O)N(C[NH+]2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)C1=O ZINC000769648652 1078484373 /nfs/dbraw/zinc/48/43/73/1078484373.db2.gz IHWJMEBUDZFQLK-UHFFFAOYSA-N 1 1 424.542 2.360 20 0 HEADMO COC(=O)[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)Cc2ccccc21 ZINC001170009282 1078523804 /nfs/dbraw/zinc/52/38/04/1078523804.db2.gz NCPQEWBJPIVEPC-FGZHOGPDSA-N 1 1 408.498 2.483 20 0 HEADMO CC(C)N1C(=O)c2ccc(C(=O)NCC[N@H+]3CCCC(C)(C)C3)cc2S1(=O)=O ZINC000769708278 1078530318 /nfs/dbraw/zinc/53/03/18/1078530318.db2.gz RUTFBPZJLVXDAR-UHFFFAOYSA-N 1 1 407.536 2.091 20 0 HEADMO C[C@H](CC(=O)NCC[N@H+]1CCCC(C)(C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000769708357 1078530468 /nfs/dbraw/zinc/53/04/68/1078530468.db2.gz TZOOMRSZHZBICP-CQSZACIVSA-N 1 1 416.975 2.030 20 0 HEADMO CC(C)(C)OC(=O)NC(C)(C)CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000745519353 1078537942 /nfs/dbraw/zinc/53/79/42/1078537942.db2.gz SARWQGHTAZPETA-UHFFFAOYSA-N 1 1 419.570 2.411 20 0 HEADMO C[NH+](C)[C@H](CNS(=O)(=O)CCC(=O)OCc1ccccc1)c1ccc(F)cc1 ZINC000769757926 1078542832 /nfs/dbraw/zinc/54/28/32/1078542832.db2.gz LSJRDUVKLYVWKX-LJQANCHMSA-N 1 1 408.495 2.481 20 0 HEADMO CN(C)c1cccc(C[N@H+](C)Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)c1 ZINC000769854585 1078575903 /nfs/dbraw/zinc/57/59/03/1078575903.db2.gz SUHCQHJLWRLVRZ-UHFFFAOYSA-N 1 1 418.519 2.000 20 0 HEADMO CN(C)c1cccc(C[N@@H+](C)Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)c1 ZINC000769854585 1078575914 /nfs/dbraw/zinc/57/59/14/1078575914.db2.gz SUHCQHJLWRLVRZ-UHFFFAOYSA-N 1 1 418.519 2.000 20 0 HEADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(c3ccccc3Cl)CC2)CC1 ZINC000769812322 1078573243 /nfs/dbraw/zinc/57/32/43/1078573243.db2.gz JIODNPBQZYBYFV-INIZCTEOSA-N 1 1 423.941 2.313 20 0 HEADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)/C=C\c2cnc(C(C)(C)C)s2)C1 ZINC000745679277 1078583386 /nfs/dbraw/zinc/58/33/86/1078583386.db2.gz ZLEPRKRNAYPRAS-MWWKQMNYSA-N 1 1 423.579 2.470 20 0 HEADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)/C=C/c2cnc(C(C)(C)C)s2)C1 ZINC000745679275 1078583414 /nfs/dbraw/zinc/58/34/14/1078583414.db2.gz ZLEPRKRNAYPRAS-FYCOFBDGSA-N 1 1 423.579 2.470 20 0 HEADMO CN(CC1CCCCC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001109538784 1078603512 /nfs/dbraw/zinc/60/35/12/1078603512.db2.gz SLGPGSJSXORKRN-KSZDVZKTSA-N 1 1 415.578 2.170 20 0 HEADMO CN(CC1CCCCC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001109538784 1078603528 /nfs/dbraw/zinc/60/35/28/1078603528.db2.gz SLGPGSJSXORKRN-KSZDVZKTSA-N 1 1 415.578 2.170 20 0 HEADMO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000769895284 1078616609 /nfs/dbraw/zinc/61/66/09/1078616609.db2.gz CDQSYTHVUHKSTO-CZUORRHYSA-N 1 1 403.401 2.116 20 0 HEADMO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000769895284 1078616613 /nfs/dbraw/zinc/61/66/13/1078616613.db2.gz CDQSYTHVUHKSTO-CZUORRHYSA-N 1 1 403.401 2.116 20 0 HEADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000745789540 1078645146 /nfs/dbraw/zinc/64/51/46/1078645146.db2.gz LSKCUGWKOFGGHJ-IBGZPJMESA-N 1 1 419.533 2.277 20 0 HEADMO CCc1ccc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)CC2)cc1 ZINC000745795979 1078651458 /nfs/dbraw/zinc/65/14/58/1078651458.db2.gz NCIRQTIINSSGJI-NRFANRHFSA-N 1 1 415.582 2.023 20 0 HEADMO CCc1ccc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)cc1 ZINC000745795980 1078651519 /nfs/dbraw/zinc/65/15/19/1078651519.db2.gz NCIRQTIINSSGJI-OAQYLSRUSA-N 1 1 415.582 2.023 20 0 HEADMO CCOC(=O)C1=C(C[NH+]2CCC(OCc3ccccc3OC)CC2)NC(=O)N[C@@H]1C ZINC000769960008 1078653447 /nfs/dbraw/zinc/65/34/47/1078653447.db2.gz XTMOIVKBXZDEKC-OAHLLOKOSA-N 1 1 417.506 2.195 20 0 HEADMO CC(C)(C)OC(=O)NC[C@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000745841937 1078662289 /nfs/dbraw/zinc/66/22/89/1078662289.db2.gz VIXDJBAHBYWVQY-MSOLQXFVSA-N 1 1 410.559 2.186 20 0 HEADMO Cn1cc([C@H](O)CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000745821082 1078663833 /nfs/dbraw/zinc/66/38/33/1078663833.db2.gz VYOCYAGSGVPMLE-IAGOWNOFSA-N 1 1 411.428 2.046 20 0 HEADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)C1 ZINC000745829893 1078666374 /nfs/dbraw/zinc/66/63/74/1078666374.db2.gz IDECDKWUQKGSPA-SJLPKXTDSA-N 1 1 422.957 2.480 20 0 HEADMO CC(C)[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC000745829143 1078666490 /nfs/dbraw/zinc/66/64/90/1078666490.db2.gz WHQOFJFQKDQJHI-QZTJIDSGSA-N 1 1 412.575 2.432 20 0 HEADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC000745866564 1078667527 /nfs/dbraw/zinc/66/75/27/1078667527.db2.gz HFOFMWVLVMMRLW-AWEZNQCLSA-N 1 1 410.515 2.426 20 0 HEADMO COC(=O)Nc1ccc(CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000745833045 1078660402 /nfs/dbraw/zinc/66/04/02/1078660402.db2.gz PNAHNBDXVDVXJO-IBGZPJMESA-N 1 1 404.511 2.304 20 0 HEADMO Cc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000745858863 1078675839 /nfs/dbraw/zinc/67/58/39/1078675839.db2.gz MWWCUQUNWUDXBS-URXFXBBRSA-N 1 1 422.529 2.037 20 0 HEADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)CC1 ZINC000745861220 1078676341 /nfs/dbraw/zinc/67/63/41/1078676341.db2.gz APZSKFDMPWMGJE-GHTZIAJQSA-N 1 1 406.571 2.080 20 0 HEADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000745861609 1078676379 /nfs/dbraw/zinc/67/63/79/1078676379.db2.gz CTZPPTLPPCHLNY-MAUKXSAKSA-N 1 1 416.488 2.312 20 0 HEADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000745861213 1078676462 /nfs/dbraw/zinc/67/64/62/1078676462.db2.gz ANABWEVVXNSVPV-CRAIPNDOSA-N 1 1 416.488 2.312 20 0 HEADMO Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)C2=O)cc1 ZINC000745878997 1078682494 /nfs/dbraw/zinc/68/24/94/1078682494.db2.gz OPEFUCTXZQPPRC-SFTDATJTSA-N 1 1 414.550 2.387 20 0 HEADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H](O)c2cccc(OC(C)C)c2)CC1 ZINC000745861223 1078676967 /nfs/dbraw/zinc/67/69/67/1078676967.db2.gz APZSKFDMPWMGJE-RXVVDRJESA-N 1 1 406.571 2.080 20 0 HEADMO C[C@@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)CN1CC[NH+](C)CC1 ZINC000745861702 1078677011 /nfs/dbraw/zinc/67/70/11/1078677011.db2.gz DQMNDYIXRLHYBJ-GUYCJALGSA-N 1 1 403.354 2.210 20 0 HEADMO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000770025594 1078692991 /nfs/dbraw/zinc/69/29/91/1078692991.db2.gz UVRBBVOMXWUAKO-PKOBYXMFSA-N 1 1 403.502 2.146 20 0 HEADMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000745942819 1078697143 /nfs/dbraw/zinc/69/71/43/1078697143.db2.gz SUCXSFULHOBFKC-HKUYNNGSSA-N 1 1 409.552 2.049 20 0 HEADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000745926619 1078699438 /nfs/dbraw/zinc/69/94/38/1078699438.db2.gz QJXCZOIXKJSDCM-QGZVFWFLSA-N 1 1 411.591 2.101 20 0 HEADMO CC[C@@H]1Oc2cc([C@H](C)NC(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)ccc2NC1=O ZINC000745933574 1078701161 /nfs/dbraw/zinc/70/11/61/1078701161.db2.gz VOHJSBPCNKBDRQ-DNMXQMFDSA-N 1 1 402.495 2.020 20 0 HEADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000745997829 1078725254 /nfs/dbraw/zinc/72/52/54/1078725254.db2.gz WTFDRIBNKKPUQN-CQSZACIVSA-N 1 1 401.960 2.441 20 0 HEADMO CC(C)[C@H](CCN(C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)NC(=O)OC(C)(C)C ZINC000770116212 1078736994 /nfs/dbraw/zinc/73/69/94/1078736994.db2.gz DNNACIFGMZKFPY-ULQDDVLXSA-N 1 1 400.564 2.286 20 0 HEADMO CC(C)[C@H](CCN(C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)NC(=O)OC(C)(C)C ZINC000770116212 1078737001 /nfs/dbraw/zinc/73/70/01/1078737001.db2.gz DNNACIFGMZKFPY-ULQDDVLXSA-N 1 1 400.564 2.286 20 0 HEADMO CO[C@@]1(C)C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1(C)C ZINC000746044461 1078753310 /nfs/dbraw/zinc/75/33/10/1078753310.db2.gz OYSDAAWEAUMWAU-GCJKJVERSA-N 1 1 402.539 2.087 20 0 HEADMO CO[C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)C(C)(C)C ZINC000746048545 1078757775 /nfs/dbraw/zinc/75/77/75/1078757775.db2.gz XMPTXYFJQSNGKJ-KRWDZBQOSA-N 1 1 410.946 2.208 20 0 HEADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)C1 ZINC000746135091 1078802388 /nfs/dbraw/zinc/80/23/88/1078802388.db2.gz PIKKPUCEDMHIMG-WMZOPIPTSA-N 1 1 407.511 2.098 20 0 HEADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)C1 ZINC000746135091 1078802391 /nfs/dbraw/zinc/80/23/91/1078802391.db2.gz PIKKPUCEDMHIMG-WMZOPIPTSA-N 1 1 407.511 2.098 20 0 HEADMO O=C(NCCNS(=O)(=O)Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000746125269 1078797917 /nfs/dbraw/zinc/79/79/17/1078797917.db2.gz PEEWAHLWOWFEFB-OAQYLSRUSA-N 1 1 415.559 2.277 20 0 HEADMO CN1CC[NH+](Cc2ccc(CNC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000746128235 1078800072 /nfs/dbraw/zinc/80/00/72/1078800072.db2.gz OHFNPQPVWMZHRI-UHFFFAOYSA-N 1 1 416.566 2.307 20 0 HEADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cccc(Br)n3)cc2)CC1 ZINC000770271239 1078801617 /nfs/dbraw/zinc/80/16/17/1078801617.db2.gz FTNLGKLHALTKSH-UHFFFAOYSA-N 1 1 417.307 2.162 20 0 HEADMO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000770253402 1078813659 /nfs/dbraw/zinc/81/36/59/1078813659.db2.gz UEZMYAMSNXTIJR-LLVKDONJSA-N 1 1 423.304 2.090 20 0 HEADMO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000770253402 1078813660 /nfs/dbraw/zinc/81/36/60/1078813660.db2.gz UEZMYAMSNXTIJR-LLVKDONJSA-N 1 1 423.304 2.090 20 0 HEADMO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000746196167 1078815779 /nfs/dbraw/zinc/81/57/79/1078815779.db2.gz GIBDYYZOIFDOFR-AUSIDOKSSA-N 1 1 417.550 2.481 20 0 HEADMO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)C2=O)cc1 ZINC000746196514 1078815837 /nfs/dbraw/zinc/81/58/37/1078815837.db2.gz JVZVPHVFKXSTMF-FDDCHVKYSA-N 1 1 414.550 2.246 20 0 HEADMO O=C(Oc1ccccc1)N1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000746201014 1078816969 /nfs/dbraw/zinc/81/69/69/1078816969.db2.gz HNXGTQQALWDKCV-DEOSSOPVSA-N 1 1 423.513 2.357 20 0 HEADMO C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000746224860 1078826252 /nfs/dbraw/zinc/82/62/52/1078826252.db2.gz JXAPKRKOLWVTAG-YLJYHZDGSA-N 1 1 405.498 2.037 20 0 HEADMO O=C(/C=C\c1ccccc1)N1CCC(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000770367265 1078832243 /nfs/dbraw/zinc/83/22/43/1078832243.db2.gz JJMQUZSQNQXXDH-GMAFFVFYSA-N 1 1 413.562 2.292 20 0 HEADMO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000746252078 1078832369 /nfs/dbraw/zinc/83/23/69/1078832369.db2.gz BJUDFJVETRAQMF-LZLYRXPVSA-N 1 1 424.586 2.032 20 0 HEADMO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000746252078 1078832370 /nfs/dbraw/zinc/83/23/70/1078832370.db2.gz BJUDFJVETRAQMF-LZLYRXPVSA-N 1 1 424.586 2.032 20 0 HEADMO Cn1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)n1 ZINC000770383512 1078834946 /nfs/dbraw/zinc/83/49/46/1078834946.db2.gz OVLHAIKKODMPGC-AEFFLSMTSA-N 1 1 405.543 2.148 20 0 HEADMO Cn1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)n1 ZINC000770383512 1078834947 /nfs/dbraw/zinc/83/49/47/1078834947.db2.gz OVLHAIKKODMPGC-AEFFLSMTSA-N 1 1 405.543 2.148 20 0 HEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000770350026 1078838120 /nfs/dbraw/zinc/83/81/20/1078838120.db2.gz JMCQEFGZUGOPRU-GOSISDBHSA-N 1 1 401.555 2.029 20 0 HEADMO C[C@@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000746292172 1078843833 /nfs/dbraw/zinc/84/38/33/1078843833.db2.gz CTRABUFWSHWJHR-HFJQGTKSSA-N 1 1 417.550 2.385 20 0 HEADMO Cn1ccnc1[C@](O)(CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(F)(F)F ZINC000746297425 1078846051 /nfs/dbraw/zinc/84/60/51/1078846051.db2.gz XEPXNJYKFFBVBK-JCKWVBRZSA-N 1 1 400.445 2.035 20 0 HEADMO COCCOc1cc2c(cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1)OCO2 ZINC000770385255 1078849414 /nfs/dbraw/zinc/84/94/14/1078849414.db2.gz JPXNOTJWZOLCSN-ZWKOTPCHSA-N 1 1 403.479 2.262 20 0 HEADMO O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000746309168 1078849607 /nfs/dbraw/zinc/84/96/07/1078849607.db2.gz HUIYHEDRWXCWEZ-QGZVFWFLSA-N 1 1 412.456 2.211 20 0 HEADMO C[C@H](NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000770436768 1078853757 /nfs/dbraw/zinc/85/37/57/1078853757.db2.gz ZZKVYMPMRYUZQP-HZUKXOBISA-N 1 1 409.836 2.108 20 0 HEADMO C[C@H](NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000770436768 1078853759 /nfs/dbraw/zinc/85/37/59/1078853759.db2.gz ZZKVYMPMRYUZQP-HZUKXOBISA-N 1 1 409.836 2.108 20 0 HEADMO C[C@H](CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000746321578 1078858101 /nfs/dbraw/zinc/85/81/01/1078858101.db2.gz KSNJHYJUAOBNGC-DUXKGJEZSA-N 1 1 406.546 2.307 20 0 HEADMO CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000746332674 1078861896 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SYYUKFAOEYITHR-FQEVSTJZSA-N 1 1 403.523 2.214 20 0 HEADMO COC(=O)C1(C)CCC([N@H+]2Cc3nccn3C[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC001168780010 1078898652 /nfs/dbraw/zinc/89/86/52/1078898652.db2.gz NJJSXFUJZFTMHV-MPQSDHOMSA-N 1 1 400.527 2.345 20 0 HEADMO COC(=O)C1(C)CCC([N@@H+]2Cc3nccn3C[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC001168780010 1078898656 /nfs/dbraw/zinc/89/86/56/1078898656.db2.gz NJJSXFUJZFTMHV-MPQSDHOMSA-N 1 1 400.527 2.345 20 0 HEADMO COC(=O)c1c(F)ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1F ZINC000746402876 1078900745 /nfs/dbraw/zinc/90/07/45/1078900745.db2.gz HBIZHHCPPLPKQJ-AWEZNQCLSA-N 1 1 416.421 2.472 20 0 HEADMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000746402473 1078901600 /nfs/dbraw/zinc/90/16/00/1078901600.db2.gz FWBPRPUXKJMIJH-ZDUSSCGKSA-N 1 1 401.891 2.416 20 0 HEADMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000746402473 1078901601 /nfs/dbraw/zinc/90/16/01/1078901601.db2.gz FWBPRPUXKJMIJH-ZDUSSCGKSA-N 1 1 401.891 2.416 20 0 HEADMO C[C@H](OC(=O)c1cccc([S@@](C)=O)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000770599132 1078902166 /nfs/dbraw/zinc/90/21/66/1078902166.db2.gz XPLKUGAYUNYLPS-FVJSMHJDSA-N 1 1 414.527 2.360 20 0 HEADMO COC(=O)C1(C)CCC([N@H+]2CC[C@@H]3CN(CC(C)C)S(=O)(=O)[C@@H]3CC2)CC1 ZINC001168780842 1078904421 /nfs/dbraw/zinc/90/44/21/1078904421.db2.gz WUPZROCWVMYLFP-BOHSKOPMSA-N 1 1 400.585 2.490 20 0 HEADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2cccc([S@](C)=O)c2)CC1 ZINC000770609795 1078915570 /nfs/dbraw/zinc/91/55/70/1078915570.db2.gz OSWHMZXKURDVNY-ADKRDUOOSA-N 1 1 414.527 2.486 20 0 HEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766363167 1078924858 /nfs/dbraw/zinc/92/48/58/1078924858.db2.gz HAJUTOHISJZNAN-SLFFLAALSA-N 1 1 401.507 2.015 20 0 HEADMO CC(C)[C@H](CNC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC000766381981 1078930617 /nfs/dbraw/zinc/93/06/17/1078930617.db2.gz WCQOEFJNOCGORT-SFHVURJKSA-N 1 1 406.527 2.193 20 0 HEADMO CCC[C@H]1CN(CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)CC[N@H+]1CCOC ZINC000766378042 1078944865 /nfs/dbraw/zinc/94/48/65/1078944865.db2.gz VPDAMPZIVPQWDP-PGRDOPGGSA-N 1 1 402.539 2.152 20 0 HEADMO Cn1ncc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1C1CC1 ZINC000770730522 1078955385 /nfs/dbraw/zinc/95/53/85/1078955385.db2.gz MYWHHIPSXHKLDG-CQSZACIVSA-N 1 1 401.536 2.326 20 0 HEADMO C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000766409280 1078962613 /nfs/dbraw/zinc/96/26/13/1078962613.db2.gz UFCNWOIMSVESRB-UYAOXDASSA-N 1 1 403.523 2.120 20 0 HEADMO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1F ZINC000746452515 1078981084 /nfs/dbraw/zinc/98/10/84/1078981084.db2.gz LHQNGDQMQFPJLW-SCLBCKFNSA-N 1 1 403.454 2.026 20 0 HEADMO CC[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H](C)c1cccc(O)c1 ZINC000746453359 1078982537 /nfs/dbraw/zinc/98/25/37/1078982537.db2.gz INSHKLCEFGYBBM-HNNXBMFYSA-N 1 1 402.495 2.451 20 0 HEADMO COC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000746454129 1078983464 /nfs/dbraw/zinc/98/34/64/1078983464.db2.gz QDNPCGBYPDDHIT-KSSFIOAISA-N 1 1 400.479 2.279 20 0 HEADMO COc1cccc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1F ZINC000770765801 1078986133 /nfs/dbraw/zinc/98/61/33/1078986133.db2.gz PPZVJUPLYLPRFV-QGZVFWFLSA-N 1 1 415.465 2.046 20 0 HEADMO Cc1cc(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n(C2CCOCC2)n1 ZINC001168791153 1078989627 /nfs/dbraw/zinc/98/96/27/1078989627.db2.gz DMQCUXXTZQODBR-HSZRJFAPSA-N 1 1 412.534 2.252 20 0 HEADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC001168791241 1078992222 /nfs/dbraw/zinc/99/22/22/1078992222.db2.gz GBASPMIFFSCFKG-ZBFHGGJFSA-N 1 1 409.741 2.203 20 0 HEADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)C1 ZINC000746455407 1078994229 /nfs/dbraw/zinc/99/42/29/1078994229.db2.gz SVUUMUPSOQCLAG-INIZCTEOSA-N 1 1 402.495 2.066 20 0 HEADMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000766428815 1078997334 /nfs/dbraw/zinc/99/73/34/1078997334.db2.gz LPTVXMHYQJZXMX-IRXDYDNUSA-N 1 1 419.551 2.054 20 0 HEADMO Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000804278530 1078998468 /nfs/dbraw/zinc/99/84/68/1078998468.db2.gz BDCCYBRSIJEYGB-JOCHJYFZSA-N 1 1 420.557 2.282 20 0 HEADMO Cn1c(-c2ccccc2F)nn(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1=S ZINC000738214151 1079017030 /nfs/dbraw/zinc/01/70/30/1079017030.db2.gz NKWVVZZKZFUHLF-MRXNPFEDSA-N 1 1 404.559 2.426 20 0 HEADMO CCOC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)C1 ZINC000770797015 1079021379 /nfs/dbraw/zinc/02/13/79/1079021379.db2.gz YQQWRHSFXCAHHH-DOTOQJQBSA-N 1 1 416.522 2.332 20 0 HEADMO CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)C1 ZINC000770797019 1079021489 /nfs/dbraw/zinc/02/14/89/1079021489.db2.gz YQQWRHSFXCAHHH-RDJZCZTQSA-N 1 1 416.522 2.332 20 0 HEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000770805576 1079026557 /nfs/dbraw/zinc/02/65/57/1079026557.db2.gz ZKTSKUFSZLXNPH-HNNXBMFYSA-N 1 1 422.620 2.246 20 0 HEADMO Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000766487805 1079026917 /nfs/dbraw/zinc/02/69/17/1079026917.db2.gz KPTYLXFRNFGKAX-YJBOKZPZSA-N 1 1 416.909 2.388 20 0 HEADMO Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000766487805 1079026922 /nfs/dbraw/zinc/02/69/22/1079026922.db2.gz KPTYLXFRNFGKAX-YJBOKZPZSA-N 1 1 416.909 2.388 20 0 HEADMO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 ZINC001168802240 1079042206 /nfs/dbraw/zinc/04/22/06/1079042206.db2.gz WUNFCXJLHIPPRE-TZMCWYRMSA-N 1 1 421.519 2.248 20 0 HEADMO C[C@H]1C[C@H]([N@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168858043 1079054874 /nfs/dbraw/zinc/05/48/74/1079054874.db2.gz PDNSLZAVUCDCJD-WNHJNPCNSA-N 1 1 400.523 2.370 20 0 HEADMO CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@H+]([C@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001168861781 1079056422 /nfs/dbraw/zinc/05/64/22/1079056422.db2.gz ZXDPAPBMOGJFGB-QQXKLLMISA-N 1 1 409.571 2.493 20 0 HEADMO C[C@@H]1C[C@@H]([N@H+]2CCCC23CCN(CC(=O)N(C)C)CC3)CN1C(=O)OC(C)(C)C ZINC001168865414 1079057422 /nfs/dbraw/zinc/05/74/22/1079057422.db2.gz MBQFOYAKSKZGFX-QZTJIDSGSA-N 1 1 408.587 2.403 20 0 HEADMO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168868103 1079058136 /nfs/dbraw/zinc/05/81/36/1079058136.db2.gz QPWUZXAFQOBXCN-WHSLLNHNSA-N 1 1 403.527 2.247 20 0 HEADMO COc1ccc(CN2CC[C@H]([N@H+]3CC[C@H](Oc4ncc(F)cn4)C3)CC2=O)cc1 ZINC001168959404 1079091840 /nfs/dbraw/zinc/09/18/40/1079091840.db2.gz VREKDGVSGHJQFZ-HKUYNNGSSA-N 1 1 400.454 2.269 20 0 HEADMO COC(=O)CC[N@H+](CCCN(C)C)[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168943705 1079082293 /nfs/dbraw/zinc/08/22/93/1079082293.db2.gz ZUNYZPDLVRWMOD-LJQANCHMSA-N 1 1 405.539 2.003 20 0 HEADMO COC(=O)CC[N@@H+](CCCN(C)C)[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168943705 1079082300 /nfs/dbraw/zinc/08/23/00/1079082300.db2.gz ZUNYZPDLVRWMOD-LJQANCHMSA-N 1 1 405.539 2.003 20 0 HEADMO COc1ccc(CN2CC[C@H]([N@H+]3CCC[C@@H](NC(=O)c4ccncc4)C3)CC2=O)cc1 ZINC001168952760 1079085602 /nfs/dbraw/zinc/08/56/02/1079085602.db2.gz GDMZGKRDKBBRJX-RTWAWAEBSA-N 1 1 422.529 2.476 20 0 HEADMO CCn1nnc2c1CC[N@H+]([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)[C@@H]2COC ZINC001168928561 1079087138 /nfs/dbraw/zinc/08/71/38/1079087138.db2.gz DEMSXJJQFPJAMK-YLJYHZDGSA-N 1 1 413.522 2.043 20 0 HEADMO CCn1nnc2c1CC[N@@H+]([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)[C@@H]2COC ZINC001168928561 1079087143 /nfs/dbraw/zinc/08/71/43/1079087143.db2.gz DEMSXJJQFPJAMK-YLJYHZDGSA-N 1 1 413.522 2.043 20 0 HEADMO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC001169013515 1079099303 /nfs/dbraw/zinc/09/93/03/1079099303.db2.gz GZDGJCQMGOSDBJ-QHCPKHFHSA-N 1 1 413.518 2.386 20 0 HEADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCSCC4)cc3)CC[C@H]21 ZINC000766586092 1079135837 /nfs/dbraw/zinc/13/58/37/1079135837.db2.gz SQYSPHIJZWKVNX-VQIMIIECSA-N 1 1 402.564 2.121 20 0 HEADMO CN(C)c1nccc(N2CCOC[C@@]3(CCC[N@@H+]([C@@H]4C[C@H]5CC[C@@H](C4)N5C)C3)C2)n1 ZINC001169128644 1079147759 /nfs/dbraw/zinc/14/77/59/1079147759.db2.gz GCKBADXYOFPCED-VLVHOKLOSA-N 1 1 414.598 2.087 20 0 HEADMO CN(C)c1nccc(N2CCOC[C@@]3(CCC[N@H+]([C@@H]4C[C@H]5CC[C@@H](C4)N5C)C3)C2)n1 ZINC001169128644 1079147762 /nfs/dbraw/zinc/14/77/62/1079147762.db2.gz GCKBADXYOFPCED-VLVHOKLOSA-N 1 1 414.598 2.087 20 0 HEADMO CCOC(=O)c1cn2cc(-n3cc(C[C@@](C)([NH3+])C(=O)OC)c4ccccc43)ncc2n1 ZINC001169116275 1079140235 /nfs/dbraw/zinc/14/02/35/1079140235.db2.gz WUXQPPHBKQKMNW-JOCHJYFZSA-N 1 1 421.457 2.283 20 0 HEADMO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CCN1c1nccn2cnnc12 ZINC000771118491 1079140493 /nfs/dbraw/zinc/14/04/93/1079140493.db2.gz CEYIJYDBVULQLH-XJKSGUPXSA-N 1 1 406.412 2.387 20 0 HEADMO 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CC[N@H+]1CCCC[C@H]1C(=O)OCC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C ZINC000745081911 1077735739 /nfs/dbraw/zinc/73/57/39/1077735739.db2.gz BIORGFAYVCYPAA-LPHOPBHVSA-N 1 1 415.490 2.227 20 0 HEADMO COC(=O)C1(C)CCC([N@H+]2CC(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001168774895 1077744115 /nfs/dbraw/zinc/74/41/15/1077744115.db2.gz LZBRVXSPZVCBQC-UHFFFAOYSA-N 1 1 423.554 2.310 20 0 HEADMO CC[C@@H]1Oc2cc([C@H](C)NC(=S)NCCC[NH+]3CCOCC3)ccc2NC1=O ZINC000745180899 1077763152 /nfs/dbraw/zinc/76/31/52/1077763152.db2.gz RMTRVPYEPAUJCL-YOEHRIQHSA-N 1 1 406.552 2.044 20 0 HEADMO Cc1cc([C@](C)(O)CNC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)o1 ZINC000745298864 1077802048 /nfs/dbraw/zinc/80/20/48/1077802048.db2.gz YRRVWRGJPVQEEL-WIYYLYMNSA-N 1 1 420.579 2.453 20 0 HEADMO O=C(OCc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000766331624 1077815543 /nfs/dbraw/zinc/81/55/43/1077815543.db2.gz CALDAZZHLQXNPI-SFTDATJTSA-N 1 1 415.534 2.358 20 0 HEADMO 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CC(C)([NH2+]CC(=O)NCc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1 ZINC000766924096 1079507319 /nfs/dbraw/zinc/50/73/19/1079507319.db2.gz HWFIPIRHCMFZOE-UHFFFAOYSA-N 1 1 408.502 2.437 20 0 HEADMO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000771764795 1079520101 /nfs/dbraw/zinc/52/01/01/1079520101.db2.gz DPUUXKTWFGYPKW-OXQOHEQNSA-N 1 1 413.566 2.076 20 0 HEADMO C[C@@H](NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000771764795 1079520109 /nfs/dbraw/zinc/52/01/09/1079520109.db2.gz DPUUXKTWFGYPKW-OXQOHEQNSA-N 1 1 413.566 2.076 20 0 HEADMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)cn1 ZINC000766960130 1079524065 /nfs/dbraw/zinc/52/40/65/1079524065.db2.gz JNAXBKVKQSVTJH-YJBOKZPZSA-N 1 1 419.913 2.089 20 0 HEADMO CC[NH+]1CCN(CCCCNC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)CC1 ZINC000771837107 1079530675 /nfs/dbraw/zinc/53/06/75/1079530675.db2.gz BZROMKFUIXUVFT-IBGZPJMESA-N 1 1 405.564 2.242 20 0 HEADMO 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CCOc1ccc([C@@H](C)NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000785751541 1080231600 /nfs/dbraw/zinc/23/16/00/1080231600.db2.gz CULBROSNJWCIFN-OAHLLOKOSA-N 1 1 407.474 2.468 20 0 HEADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N3CCCC4(C3)OCCO4)cc2)C[C@H](C)O1 ZINC000768028866 1080293771 /nfs/dbraw/zinc/29/37/71/1080293771.db2.gz URCIUCXGESDPNF-HDICACEKSA-N 1 1 403.523 2.344 20 0 HEADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000768070946 1080325928 /nfs/dbraw/zinc/32/59/28/1080325928.db2.gz VNVLPDLATJSBDU-GCJKJVERSA-N 1 1 405.539 2.342 20 0 HEADMO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2CCOC[C@@H]2C2CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170053141 1080326290 /nfs/dbraw/zinc/32/62/90/1080326290.db2.gz UPFQQLGBDDHQEH-YESZJQIVSA-N 1 1 411.568 2.008 20 0 HEADMO CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2CCOC[C@@H]2C2CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170053141 1080326296 /nfs/dbraw/zinc/32/62/96/1080326296.db2.gz UPFQQLGBDDHQEH-YESZJQIVSA-N 1 1 411.568 2.008 20 0 HEADMO CC(=O)N1CCN(C(=O)C[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000785973432 1080330894 /nfs/dbraw/zinc/33/08/94/1080330894.db2.gz ITEYRDJTLFDJBL-UHFFFAOYSA-N 1 1 421.541 2.328 20 0 HEADMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000768121746 1080336297 /nfs/dbraw/zinc/33/62/97/1080336297.db2.gz QCQGAIZIQDFKRE-UHFFFAOYSA-N 1 1 407.316 2.277 20 0 HEADMO CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CC[NH+](C(C)(C)CO)CC1)c1ccccc1 ZINC000768121047 1080336910 /nfs/dbraw/zinc/33/69/10/1080336910.db2.gz LXMUHFQFSFSSPA-JOCHJYFZSA-N 1 1 405.539 2.342 20 0 HEADMO CC[C@H](NC(=O)N1CCCC2(C1)OCCO2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000768100539 1080338519 /nfs/dbraw/zinc/33/85/19/1080338519.db2.gz WLRKBTKLHUEHKS-VQTJNVASSA-N 1 1 403.523 2.215 20 0 HEADMO CC[C@H](NC(=O)N1CCCC2(C1)OCCO2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000768100539 1080338524 /nfs/dbraw/zinc/33/85/24/1080338524.db2.gz WLRKBTKLHUEHKS-VQTJNVASSA-N 1 1 403.523 2.215 20 0 HEADMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000785992587 1080353094 /nfs/dbraw/zinc/35/30/94/1080353094.db2.gz JOGAXKXQOKQEQM-RTBURBONSA-N 1 1 416.566 2.035 20 0 HEADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)C1 ZINC000768149788 1080355971 /nfs/dbraw/zinc/35/59/71/1080355971.db2.gz JFJFPHHBDCXEHF-HNNXBMFYSA-N 1 1 420.529 2.483 20 0 HEADMO CC(C)OCC[NH+]1CCN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000746494523 1080357067 /nfs/dbraw/zinc/35/70/67/1080357067.db2.gz IMBBQJFPMSPUJL-PMACEKPBSA-N 1 1 418.582 2.281 20 0 HEADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCc4cccc(F)c4C3)cc2)CC1 ZINC000768125860 1080359176 /nfs/dbraw/zinc/35/91/76/1080359176.db2.gz AFFDKGAHHUQMSQ-UHFFFAOYSA-N 1 1 410.493 2.491 20 0 HEADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768170016 1080383310 /nfs/dbraw/zinc/38/33/10/1080383310.db2.gz FGCLKKACQISYGH-GFCCVEGCSA-N 1 1 403.708 2.235 20 0 HEADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768170016 1080383314 /nfs/dbraw/zinc/38/33/14/1080383314.db2.gz FGCLKKACQISYGH-GFCCVEGCSA-N 1 1 403.708 2.235 20 0 HEADMO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000768174190 1080386201 /nfs/dbraw/zinc/38/62/01/1080386201.db2.gz NEYQTDOFIKSBNM-KRWDZBQOSA-N 1 1 424.549 2.134 20 0 HEADMO C[C@@H]1C[C@@H](N(C)C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)CC[N@H+]1C ZINC000768175046 1080386935 /nfs/dbraw/zinc/38/69/35/1080386935.db2.gz HRNBJJGKFWTTOG-QCLGFWRNSA-N 1 1 407.555 2.390 20 0 HEADMO CC[N@H+]1CCC[C@H]1CNC(=S)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000786089964 1080389653 /nfs/dbraw/zinc/38/96/53/1080389653.db2.gz TVRQUHDIJLRPCG-LBPRGKRZSA-N 1 1 422.546 2.428 20 0 HEADMO CC(C)(C)OC(=O)NC1(C(=O)OCCC[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000786095944 1080392294 /nfs/dbraw/zinc/39/22/94/1080392294.db2.gz VUYLFGFRUKJIGX-UHFFFAOYSA-N 1 1 404.507 2.314 20 0 HEADMO Cc1cccc(-n2cc(C(=O)COC(=O)CC3([NH+]4CCOCC4)CCCC3)nn2)c1 ZINC000786097915 1080393160 /nfs/dbraw/zinc/39/31/60/1080393160.db2.gz UZLRYAGVCVKSQM-UHFFFAOYSA-N 1 1 412.490 2.337 20 0 HEADMO C[N@@H+](CCN1CCN(C(=O)[C@]2(O)CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000786098722 1080393454 /nfs/dbraw/zinc/39/34/54/1080393454.db2.gz ITABSQGANBQRQR-VWLOTQADSA-N 1 1 407.558 2.183 20 0 HEADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000742949719 1080395150 /nfs/dbraw/zinc/39/51/50/1080395150.db2.gz SZKAILPLPNGAEJ-KNQAVFIVSA-N 1 1 419.529 2.087 20 0 HEADMO CC(=O)NCCc1ccc(C(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)s1 ZINC000786102670 1080397156 /nfs/dbraw/zinc/39/71/56/1080397156.db2.gz ZZUGGECDWHGWLG-UHFFFAOYSA-N 1 1 422.547 2.188 20 0 HEADMO CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC000768196114 1080413197 /nfs/dbraw/zinc/41/31/97/1080413197.db2.gz FTPCTELRJNCVEL-NRFANRHFSA-N 1 1 416.566 2.309 20 0 HEADMO COc1cc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)ccc1OC(=O)C1CC1 ZINC000768233888 1080434359 /nfs/dbraw/zinc/43/43/59/1080434359.db2.gz APUVTJAQVWYFQO-SFHVURJKSA-N 1 1 402.491 2.081 20 0 HEADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1 ZINC000768272002 1080453233 /nfs/dbraw/zinc/45/32/33/1080453233.db2.gz PHQOXAWLRPGXQP-MRXNPFEDSA-N 1 1 400.564 2.026 20 0 HEADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CCC(O)(c3ccccc3)CC2)cn1 ZINC000768301585 1080473378 /nfs/dbraw/zinc/47/33/78/1080473378.db2.gz RSCRBXZJMSDMAU-UHFFFAOYSA-N 1 1 405.458 2.024 20 0 HEADMO Cc1c(C(=O)NC[C@@H](O)c2cccc(C)c2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000768308481 1080477916 /nfs/dbraw/zinc/47/79/16/1080477916.db2.gz SKVROVAJHAAFEL-OAQYLSRUSA-N 1 1 405.502 2.335 20 0 HEADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000768318359 1080506535 /nfs/dbraw/zinc/50/65/35/1080506535.db2.gz LPIHGZHMQFYCBX-UHFFFAOYSA-N 1 1 420.517 2.141 20 0 HEADMO COC[C@@H]1CCCCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1 ZINC000768360806 1080511930 /nfs/dbraw/zinc/51/19/30/1080511930.db2.gz JKEUAMMNAPEHKW-MRXNPFEDSA-N 1 1 422.957 2.305 20 0 HEADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CCCC2(C1)OCCO2 ZINC000768369575 1080519365 /nfs/dbraw/zinc/51/93/65/1080519365.db2.gz RGHWPNAIRIUCEG-OALUTQOASA-N 1 1 402.539 2.182 20 0 HEADMO Cc1cccc(C2(O)CCN(C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2)c1C ZINC000768372426 1080521028 /nfs/dbraw/zinc/52/10/28/1080521028.db2.gz XUXLVQKPBVJMOO-SFHVURJKSA-N 1 1 402.583 2.180 20 0 HEADMO Cc1cccc(C2(O)CCN(C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2)c1C ZINC000768372419 1080521183 /nfs/dbraw/zinc/52/11/83/1080521183.db2.gz XUXLVQKPBVJMOO-GOSISDBHSA-N 1 1 402.583 2.180 20 0 HEADMO C[C@H]1C[C@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000768398284 1080524628 /nfs/dbraw/zinc/52/46/28/1080524628.db2.gz MQFDSXARYRXJBD-HKUYNNGSSA-N 1 1 420.554 2.178 20 0 HEADMO COC(=O)CCc1cccc(NC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000786285472 1080530812 /nfs/dbraw/zinc/53/08/12/1080530812.db2.gz MXFLRKNVAVVNEK-UHFFFAOYSA-N 1 1 403.523 2.310 20 0 HEADMO CC(C)N(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1COC3)C2)C1CCCCC1 ZINC001109308657 1080575807 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O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)nc1 ZINC000746594334 1080729265 /nfs/dbraw/zinc/72/92/65/1080729265.db2.gz APJLWHZHPNCURQ-UHFFFAOYSA-N 1 1 404.312 2.181 20 0 HEADMO CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCCc2nc(C)sc21)[NH+]1CCOCC1 ZINC000786595051 1080731719 /nfs/dbraw/zinc/73/17/19/1080731719.db2.gz BNVRQAFEYZBEKF-ROUUACIJSA-N 1 1 422.595 2.198 20 0 HEADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000786710050 1080765402 /nfs/dbraw/zinc/76/54/02/1080765402.db2.gz XYPYFVMUBQZJTI-KRWDZBQOSA-N 1 1 424.586 2.130 20 0 HEADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCCNC(=O)OC(C)(C)C)C1 ZINC000786736117 1080784347 /nfs/dbraw/zinc/78/43/47/1080784347.db2.gz CBGQAXFOXLWABS-ZWKOTPCHSA-N 1 1 424.586 2.130 20 0 HEADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1nn(CCS(=O)(=O)CC)cc1C ZINC000786741366 1080788521 /nfs/dbraw/zinc/78/85/21/1080788521.db2.gz RRQCDWJWHYPQON-QGZVFWFLSA-N 1 1 413.588 2.402 20 0 HEADMO C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)[C@@H](C)C[N@H+]1C 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KYCHDYZWRNXHGG-CTNGQTDRSA-N 1 1 417.550 2.146 20 0 HEADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)C1 ZINC000746135088 1079086065 /nfs/dbraw/zinc/08/60/65/1079086065.db2.gz PIKKPUCEDMHIMG-FUHWJXTLSA-N 1 1 407.511 2.098 20 0 HEADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)C1 ZINC000746135088 1079086075 /nfs/dbraw/zinc/08/60/75/1079086075.db2.gz PIKKPUCEDMHIMG-FUHWJXTLSA-N 1 1 407.511 2.098 20 0 HEADMO Cc1c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)nnn1CCOc1ccc(F)cc1 ZINC001168931362 1079088482 /nfs/dbraw/zinc/08/84/82/1079088482.db2.gz RBPOGYJIWAOGFL-OYRHEFFESA-N 1 1 401.486 2.218 20 0 HEADMO COC(=O)c1cnc2c(c1)C[N@@H+]([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2 ZINC001168956812 1079091194 /nfs/dbraw/zinc/09/11/94/1079091194.db2.gz FPRITNLQYOWZDK-LJQANCHMSA-N 1 1 409.486 2.426 20 0 HEADMO CCOCCCN1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H](C)C1 ZINC000766561989 1079096082 /nfs/dbraw/zinc/09/60/82/1079096082.db2.gz GNKHHISRKPQQTP-GDBMZVCRSA-N 1 1 415.522 2.027 20 0 HEADMO COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)nn1 ZINC001169013738 1079099798 /nfs/dbraw/zinc/09/97/98/1079099798.db2.gz JGAYVAJEXBDEKG-HZPDHXFCSA-N 1 1 407.515 2.349 20 0 HEADMO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2)C[C@@H](C)O1 ZINC000766584219 1079134213 /nfs/dbraw/zinc/13/42/13/1079134213.db2.gz SGDMLZGRQRJHBV-NEYJZJCJSA-N 1 1 414.550 2.181 20 0 HEADMO C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCOC4(CCCC4)C3)cc2Cl)CC1 ZINC000766587123 1079136847 /nfs/dbraw/zinc/13/68/47/1079136847.db2.gz VRIZTNYTBSIGRW-UHFFFAOYSA-N 1 1 420.941 2.202 20 0 HEADMO COC(=O)c1cc(-n2cc(C[C@](C)([NH3+])C(=O)OC)c3ccccc32)cnc1N(C)C ZINC001169116334 1079140683 /nfs/dbraw/zinc/14/06/83/1079140683.db2.gz XMFPEKFCSPAEPB-QFIPXVFZSA-N 1 1 410.474 2.311 20 0 HEADMO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000771094765 1079148772 /nfs/dbraw/zinc/14/87/72/1079148772.db2.gz KNUMMNKGYBOYTB-CVEARBPZSA-N 1 1 410.584 2.456 20 0 HEADMO 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CC[N@@H+](CCn1cccn1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170049869 1080231372 /nfs/dbraw/zinc/23/13/72/1080231372.db2.gz GEKWEFSJMSZYTE-SJORKVTESA-N 1 1 423.583 2.116 20 0 HEADMO O=c1c(Cl)c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cnn1-c1nc2ccccc2[nH]1 ZINC000785802626 1080270484 /nfs/dbraw/zinc/27/04/84/1080270484.db2.gz WCTGHWPZYXLYEN-CHWSQXEVSA-N 1 1 400.870 2.037 20 0 HEADMO O=c1c(Cl)c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cnn1-c1nc2ccccc2[nH]1 ZINC000785802638 1080270737 /nfs/dbraw/zinc/27/07/37/1080270737.db2.gz WCTGHWPZYXLYEN-STQMWFEESA-N 1 1 400.870 2.037 20 0 HEADMO C[N@H+]1CCCN(c2ccc(NC(=O)Cc3ccccc3S(C)(=O)=O)cc2)CC1 ZINC000785883630 1080275016 /nfs/dbraw/zinc/27/50/16/1080275016.db2.gz WXMMYQZLHLIXJX-UHFFFAOYSA-N 1 1 401.532 2.413 20 0 HEADMO CN1CC[N@@H+](CCCNC(=O)[C@@]2(O)CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC000785842877 1080277064 /nfs/dbraw/zinc/27/70/64/1080277064.db2.gz QGSKHLBYEJEVTF-UKILVPOCSA-N 1 1 407.558 2.401 20 0 HEADMO C[N@@H+]1CCN(CCCNC(=O)[C@@]2(O)CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC000785842877 1080277077 /nfs/dbraw/zinc/27/70/77/1080277077.db2.gz QGSKHLBYEJEVTF-UKILVPOCSA-N 1 1 407.558 2.401 20 0 HEADMO C[N@H+]1CCN(CCCNC(=O)[C@@]2(O)CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC000785842877 1080277083 /nfs/dbraw/zinc/27/70/83/1080277083.db2.gz QGSKHLBYEJEVTF-UKILVPOCSA-N 1 1 407.558 2.401 20 0 HEADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C[C@H](C)O1 ZINC000768128291 1080363215 /nfs/dbraw/zinc/36/32/15/1080363215.db2.gz XEVDANNUTIUAMT-MIFYACCESA-N 1 1 408.930 2.103 20 0 HEADMO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170054832 1080376224 /nfs/dbraw/zinc/37/62/24/1080376224.db2.gz IFHRFRZZCWZXGG-NCOADZHNSA-N 1 1 423.579 2.198 20 0 HEADMO COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@]2(O)CCc3ccccc3C2)c1 ZINC000786084426 1080387721 /nfs/dbraw/zinc/38/77/21/1080387721.db2.gz XHQTWGCQAFMDLL-XMMPIXPASA-N 1 1 412.530 2.180 20 0 HEADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC000768201252 1080392529 /nfs/dbraw/zinc/39/25/29/1080392529.db2.gz RUQDPVLMPFOCRF-OAQYLSRUSA-N 1 1 416.566 2.309 20 0 HEADMO C[C@@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000786097967 1080394065 /nfs/dbraw/zinc/39/40/65/1080394065.db2.gz VBNHCUHBWVOEGC-MRXNPFEDSA-N 1 1 414.502 2.355 20 0 HEADMO C[C@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000786097960 1080394078 /nfs/dbraw/zinc/39/40/78/1080394078.db2.gz VBNHCUHBWVOEGC-INIZCTEOSA-N 1 1 414.502 2.355 20 0 HEADMO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768207428 1080396902 /nfs/dbraw/zinc/39/69/02/1080396902.db2.gz LJJDTYLBICUQHA-YLJYHZDGSA-N 1 1 422.489 2.178 20 0 HEADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C[N@H+]1C1CC1 ZINC000768191628 1080406356 /nfs/dbraw/zinc/40/63/56/1080406356.db2.gz IUYVDASIRQHIRZ-PSASIEDQSA-N 1 1 401.692 2.177 20 0 HEADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C[N@H+]1C1CC1 ZINC000768191631 1080406437 /nfs/dbraw/zinc/40/64/37/1080406437.db2.gz IUYVDASIRQHIRZ-WPRPVWTQSA-N 1 1 401.692 2.177 20 0 HEADMO C[C@H]1C[C@@H](NC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C[N@H+]1C1CC1 ZINC000768248106 1080438596 /nfs/dbraw/zinc/43/85/96/1080438596.db2.gz JHYCTGWQQVMVLL-UCHQMPSGSA-N 1 1 405.539 2.190 20 0 HEADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1 ZINC000768272001 1080453065 /nfs/dbraw/zinc/45/30/65/1080453065.db2.gz PHQOXAWLRPGXQP-INIZCTEOSA-N 1 1 400.564 2.026 20 0 HEADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1 ZINC000768271796 1080453524 /nfs/dbraw/zinc/45/35/24/1080453524.db2.gz LSACFIGWNNGXME-MJGOQNOKSA-N 1 1 420.554 2.351 20 0 HEADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3cccc(Br)n3)CC2)CC1 ZINC000786137768 1080458650 /nfs/dbraw/zinc/45/86/50/1080458650.db2.gz BKVYYNZJOCSFNL-UHFFFAOYSA-N 1 1 424.343 2.252 20 0 HEADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000768294390 1080466845 /nfs/dbraw/zinc/46/68/45/1080466845.db2.gz RAADCVDRRKEJDZ-DHVPZBTDSA-N 1 1 419.566 2.391 20 0 HEADMO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000786181965 1080483270 /nfs/dbraw/zinc/48/32/70/1080483270.db2.gz IPICLBUSRGDJBK-BHIYHBOVSA-N 1 1 408.587 2.259 20 0 HEADMO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000786181965 1080483278 /nfs/dbraw/zinc/48/32/78/1080483278.db2.gz IPICLBUSRGDJBK-BHIYHBOVSA-N 1 1 408.587 2.259 20 0 HEADMO CN1CC[NH+](CCOc2ccc(NC(=O)[C@]3(O)CCc4ccccc4C3)cc2)CC1 ZINC000786249184 1080488881 /nfs/dbraw/zinc/48/88/81/1080488881.db2.gz SOGVUJBLUNFABK-DEOSSOPVSA-N 1 1 409.530 2.171 20 0 HEADMO COC[C@H]1CCCCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1 ZINC000768360800 1080511729 /nfs/dbraw/zinc/51/17/29/1080511729.db2.gz JKEUAMMNAPEHKW-INIZCTEOSA-N 1 1 422.957 2.305 20 0 HEADMO CCS(=O)(=O)CCn1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000786241204 1080516691 /nfs/dbraw/zinc/51/66/91/1080516691.db2.gz UCRIOPKDJDLCHG-LJQANCHMSA-N 1 1 418.563 2.477 20 0 HEADMO C[C@@H]1C[C@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000768398288 1080524438 /nfs/dbraw/zinc/52/44/38/1080524438.db2.gz MQFDSXARYRXJBD-MJGOQNOKSA-N 1 1 420.554 2.178 20 0 HEADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000768387091 1080536669 /nfs/dbraw/zinc/53/66/69/1080536669.db2.gz CSJQRKYIUIEBMK-HXUWFJFHSA-N 1 1 420.517 2.093 20 0 HEADMO C[C@@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000768425870 1080546970 /nfs/dbraw/zinc/54/69/70/1080546970.db2.gz NJUICSDVWRQBES-SJORKVTESA-N 1 1 412.575 2.168 20 0 HEADMO CC(C)[C@H](CNC(=O)c1ccc(-n2cnc3ccccc32)nc1)N1CC[NH+](C)CC1 ZINC000768421180 1080573464 /nfs/dbraw/zinc/57/34/64/1080573464.db2.gz KPVMSYZEOVOQNL-NRFANRHFSA-N 1 1 406.534 2.422 20 0 HEADMO CCc1ccc([C@@]2(CC)NC(=O)N(C[NH+]3CCC(CNC(C)=O)CC3)C2=O)cc1 ZINC000768484939 1080578502 /nfs/dbraw/zinc/57/85/02/1080578502.db2.gz MJBDPXGWUPXLQQ-JOCHJYFZSA-N 1 1 400.523 2.212 20 0 HEADMO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCOc2ccc(F)cc2)C1 ZINC001109301661 1080582992 /nfs/dbraw/zinc/58/29/92/1080582992.db2.gz IDNRLZIBGXZXEL-ULKVZQIESA-N 1 1 403.498 2.231 20 0 HEADMO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000786404684 1080587915 /nfs/dbraw/zinc/58/79/15/1080587915.db2.gz OOFAIFCCPKYAKR-AEFFLSMTSA-N 1 1 415.534 2.500 20 0 HEADMO CCOC(=O)C[NH+]1CCC(COC(=O)Cc2cccc(N3CCCC3=O)c2)CC1 ZINC000786406651 1080588393 /nfs/dbraw/zinc/58/83/93/1080588393.db2.gz GZRRMIPEBITRAU-UHFFFAOYSA-N 1 1 402.491 2.174 20 0 HEADMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)Nc2cccc(C(F)(F)F)n2)C[C@@H](C)O1 ZINC000786428178 1080596678 /nfs/dbraw/zinc/59/66/78/1080596678.db2.gz YFOTXIQMKDYTLZ-MGPQQGTHSA-N 1 1 414.428 2.139 20 0 HEADMO 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C[C@@H](OC(=O)c1ccnc(Cl)c1N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000768564274 1080632841 /nfs/dbraw/zinc/63/28/41/1080632841.db2.gz NFVGXSYKTZXGGV-HIFRSBDPSA-N 1 1 402.882 2.253 20 0 HEADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)cn1 ZINC000768570302 1080636846 /nfs/dbraw/zinc/63/68/46/1080636846.db2.gz CBTAMOIRSFAVLF-QFIPXVFZSA-N 1 1 424.505 2.083 20 0 HEADMO CCC(CC)[C@@H](CNC(=O)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1)[NH+]1CCOCC1 ZINC000786599262 1080701284 /nfs/dbraw/zinc/70/12/84/1080701284.db2.gz PUUZKSCIGKBTSB-VQTJNVASSA-N 1 1 421.969 2.177 20 0 HEADMO O=C(NCc1ccc(Cl)nc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000786622020 1080715940 /nfs/dbraw/zinc/71/59/40/1080715940.db2.gz WJVMHMCBOBKGTQ-SFHVURJKSA-N 1 1 400.910 2.032 20 0 HEADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000768721043 1080737760 /nfs/dbraw/zinc/73/77/60/1080737760.db2.gz NAEBRCADTYEVRJ-UHFFFAOYSA-N 1 1 419.420 2.155 20 0 HEADMO 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COC(=O)c1c[nH]c2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc12 ZINC001164871042 721071178 /nfs/dbraw/zinc/07/11/78/721071178.db2.gz YBDYKDNMSLFIIJ-IAGOWNOFSA-N 1 1 407.474 2.224 20 0 HEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CCCCC4)C[C@@H]3C2)cn1 ZINC001164762257 721079953 /nfs/dbraw/zinc/07/99/53/721079953.db2.gz DOPADLYMTFCEBM-PMACEKPBSA-N 1 1 408.550 2.400 20 0 HEADMO CC(C)(C)C(=O)Nc1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164864988 721087159 /nfs/dbraw/zinc/08/71/59/721087159.db2.gz HWIUCXQAKNQBPP-ZWKOTPCHSA-N 1 1 410.522 2.336 20 0 HEADMO COC(=O)c1ccc2ncnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164763686 721089518 /nfs/dbraw/zinc/08/95/18/721089518.db2.gz GRCXNJFVFQDVDC-MSOLQXFVSA-N 1 1 406.490 2.108 20 0 HEADMO CC(C)(C)NC(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865129 721118454 /nfs/dbraw/zinc/11/84/54/721118454.db2.gz INOSHPPSDDGGIP-WOJBJXKFSA-N 1 1 409.534 2.485 20 0 HEADMO COC(=O)CSc1cccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880973 721125833 /nfs/dbraw/zinc/12/58/33/721125833.db2.gz YLGBUGACVBQTEI-ROUUACIJSA-N 1 1 414.531 2.221 20 0 HEADMO CCOC(=O)c1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1OCC ZINC001164766398 721127634 /nfs/dbraw/zinc/12/76/34/721127634.db2.gz KZOJDVFPGCPXSG-ROUUACIJSA-N 1 1 413.522 2.349 20 0 HEADMO Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1C ZINC001164877646 721136957 /nfs/dbraw/zinc/13/69/57/721136957.db2.gz PMTVWSSSYNSJPE-HOTGVXAUSA-N 1 1 413.913 2.200 20 0 HEADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)[nH]c-2n1 ZINC001164764039 721166552 /nfs/dbraw/zinc/16/65/52/721166552.db2.gz GCKFFUAKZPLBBE-ROUUACIJSA-N 1 1 408.506 2.431 20 0 HEADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2[nH]1 ZINC001164764039 721166567 /nfs/dbraw/zinc/16/65/67/721166567.db2.gz GCKFFUAKZPLBBE-ROUUACIJSA-N 1 1 408.506 2.431 20 0 HEADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2[nH]1 ZINC001164764039 721166579 /nfs/dbraw/zinc/16/65/79/721166579.db2.gz GCKFFUAKZPLBBE-ROUUACIJSA-N 1 1 408.506 2.431 20 0 HEADMO [O-][n+]1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1Cl ZINC001164867795 721190247 /nfs/dbraw/zinc/19/02/47/721190247.db2.gz IBLMYAIMFRPNRM-IRXDYDNUSA-N 1 1 410.852 2.393 20 0 HEADMO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1C ZINC001164764124 721190871 /nfs/dbraw/zinc/19/08/71/721190871.db2.gz GHYVSLPNMGGQIK-CABCVRRESA-N 1 1 400.918 2.017 20 0 HEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)COc4ccc(Cl)nn4)C[C@@H]3C2)cn1 ZINC001164772343 721200467 /nfs/dbraw/zinc/20/04/67/721200467.db2.gz SNLIOJPRCPYCFT-GJZGRUSLSA-N 1 1 412.872 2.289 20 0 HEADMO C[N@@H+](Cc1ccc(N2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)nc1)C1CC1 ZINC001164871132 721215769 /nfs/dbraw/zinc/21/57/69/721215769.db2.gz IERYMLRATJEGCH-FDDCHVKYSA-N 1 1 422.533 2.024 20 0 HEADMO C[N@@H+](Cc1ccc(N2CC[C@@]3(C2)C[C@H](NC(=O)c2cnccn2)CCO3)nc1)C1CC1 ZINC001164871134 721216212 /nfs/dbraw/zinc/21/62/12/721216212.db2.gz IERYMLRATJEGCH-JPYJTQIMSA-N 1 1 422.533 2.024 20 0 HEADMO Cc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)nn2)cc1 ZINC001164875630 721284432 /nfs/dbraw/zinc/28/44/32/721284432.db2.gz YFCMJBRMIYMVEG-UHFFFAOYSA-N 1 1 423.561 2.459 20 0 HEADMO Cc1cccc(N(c2ccc(N3CCN(C)CC3)nn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778840 721329061 /nfs/dbraw/zinc/32/90/61/721329061.db2.gz ZEICATRCFWOADU-NFBKMPQASA-N 1 1 408.550 2.196 20 0 HEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc(N)n3)C2)C1 ZINC001164776642 721331235 /nfs/dbraw/zinc/33/12/35/721331235.db2.gz HLHKBWNNRBLBPZ-IBGZPJMESA-N 1 1 406.918 2.436 20 0 HEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc(N)n3)C2)C1 ZINC001164776642 721331236 /nfs/dbraw/zinc/33/12/36/721331236.db2.gz HLHKBWNNRBLBPZ-IBGZPJMESA-N 1 1 406.918 2.436 20 0 HEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N(C)C)ncn3)C2)C1 ZINC001164775868 721332497 /nfs/dbraw/zinc/33/24/97/721332497.db2.gz ALWZMAYZMDHXIA-NRFANRHFSA-N 1 1 400.527 2.266 20 0 HEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N(C)C)ncn3)C2)C1 ZINC001164775868 721332500 /nfs/dbraw/zinc/33/25/00/721332500.db2.gz ALWZMAYZMDHXIA-NRFANRHFSA-N 1 1 400.527 2.266 20 0 HEADMO COc1nc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776658 721343257 /nfs/dbraw/zinc/34/32/57/721343257.db2.gz BZGFKGXMXGCTEV-LJQANCHMSA-N 1 1 422.917 2.257 20 0 HEADMO COc1nc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776658 721343259 /nfs/dbraw/zinc/34/32/59/721343259.db2.gz BZGFKGXMXGCTEV-LJQANCHMSA-N 1 1 422.917 2.257 20 0 HEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncn4)C3)O2)CC1 ZINC001164885649 721379167 /nfs/dbraw/zinc/37/91/67/721379167.db2.gz CXTKHERYBCOFFH-YJBOKZPZSA-N 1 1 415.916 2.440 20 0 HEADMO C[N@@H+](Cc1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cccnc3)C2)nc1)C1CC1 ZINC001164786091 721381745 /nfs/dbraw/zinc/38/17/45/721381745.db2.gz SLPDFEHJCSVHFY-RRPUWOKSSA-N 1 1 421.545 2.485 20 0 HEADMO COC(=O)c1c(Cl)ccnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164894512 721386894 /nfs/dbraw/zinc/38/68/94/721386894.db2.gz YODVTPMTLDPWKO-IERDGZPVSA-N 1 1 422.957 2.287 20 0 HEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nccc(Cl)n4)C3)O2)CC1 ZINC001164886089 721388613 /nfs/dbraw/zinc/38/86/13/721388613.db2.gz DJRURECWFKIGNL-YJBOKZPZSA-N 1 1 415.916 2.440 20 0 HEADMO Cn1ccc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164889496 721401241 /nfs/dbraw/zinc/40/12/41/721401241.db2.gz REFBBOZHSLCGSY-HRAATJIYSA-N 1 1 418.973 2.387 20 0 HEADMO CCOC(=O)c1cccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164891131 721402438 /nfs/dbraw/zinc/40/24/38/721402438.db2.gz VHMCCCYVZQXEJY-GCJKJVERSA-N 1 1 402.539 2.024 20 0 HEADMO COC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ccc1Cl ZINC001164885812 721409734 /nfs/dbraw/zinc/40/97/34/721409734.db2.gz HNEBHZVJBCTOJJ-HRAATJIYSA-N 1 1 422.957 2.287 20 0 HEADMO COc1nc(Cl)nc(C)c1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164883595 721411406 /nfs/dbraw/zinc/41/14/06/721411406.db2.gz BFUZZIYGYTVIDV-JXFKEZNVSA-N 1 1 409.962 2.212 20 0 HEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnnc(Cl)c4)C3)O2)CC1 ZINC001164891037 721411958 /nfs/dbraw/zinc/41/19/58/721411958.db2.gz VAVZTXYAZOTBIA-FUHWJXTLSA-N 1 1 415.916 2.440 20 0 HEADMO COC(=O)c1ccc(Cl)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890927 721416254 /nfs/dbraw/zinc/41/62/54/721416254.db2.gz UJFJJVUNZIFDED-HRAATJIYSA-N 1 1 422.957 2.287 20 0 HEADMO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164788302 721421552 /nfs/dbraw/zinc/42/15/52/721421552.db2.gz RYXGBDJMVWMLIC-KBPBESRZSA-N 1 1 412.519 2.170 20 0 HEADMO COC(OC)c1cc(C)cnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164898765 721426758 /nfs/dbraw/zinc/42/67/58/721426758.db2.gz WWUGFEJUJUJTMI-WMZHIEFXSA-N 1 1 418.582 2.447 20 0 HEADMO COc1nnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c2ccccc21 ZINC001164894850 721433085 /nfs/dbraw/zinc/43/30/85/721433085.db2.gz MPWPQVQHOISXNH-JPYJTQIMSA-N 1 1 411.550 2.404 20 0 HEADMO COc1cccc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c21 ZINC001164896462 721437451 /nfs/dbraw/zinc/43/74/51/721437451.db2.gz RIPJDRVXPCYVKY-JPYJTQIMSA-N 1 1 411.550 2.404 20 0 HEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccncc5)ncn4)C3)O2)CC1 ZINC001164888701 721437941 /nfs/dbraw/zinc/43/79/41/721437941.db2.gz AMYHEUIOORXULK-OFNKIYASSA-N 1 1 408.550 2.304 20 0 HEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3ncn(C)c3n1)CC2 ZINC001164784907 721458286 /nfs/dbraw/zinc/45/82/86/721458286.db2.gz KSRLZEKTMJKULM-GOSISDBHSA-N 1 1 414.554 2.097 20 0 HEADMO C[N@@H+](Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)nc1)C1CC1 ZINC001164791867 721482687 /nfs/dbraw/zinc/48/26/87/721482687.db2.gz KCXIVWGSULWLBA-AABGKKOBSA-N 1 1 400.523 2.071 20 0 HEADMO COC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902078 721512901 /nfs/dbraw/zinc/51/29/01/721512901.db2.gz YYYJAFVAPOQEGO-UKRRQHHQSA-N 1 1 406.845 2.398 20 0 HEADMO COC(=O)c1cc(F)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808407 721530105 /nfs/dbraw/zinc/53/01/05/721530105.db2.gz RWUSBPDKGPRZHG-GBESFXJTSA-N 1 1 400.454 2.271 20 0 HEADMO COC(=O)c1cc(F)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808407 721530110 /nfs/dbraw/zinc/53/01/10/721530110.db2.gz RWUSBPDKGPRZHG-GBESFXJTSA-N 1 1 400.454 2.271 20 0 HEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)c(Cl)cn2)[C@@H]2CCCO[C@@H]21 ZINC001164805537 721532368 /nfs/dbraw/zinc/53/23/68/721532368.db2.gz MEXPQTVFIOUMAR-LMMKCTJWSA-N 1 1 401.898 2.097 20 0 HEADMO CCOC(=O)Cc1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164800591 721535769 /nfs/dbraw/zinc/53/57/69/721535769.db2.gz CNDQWUNAOQGKBE-URVUXULASA-N 1 1 410.518 2.450 20 0 HEADMO CCOC(=O)Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164906948 721538964 /nfs/dbraw/zinc/53/89/64/721538964.db2.gz MAPYLXZOFLHAMD-HKUYNNGSSA-N 1 1 400.454 2.063 20 0 HEADMO COC(=O)c1nc2cnccc2c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905219 721541085 /nfs/dbraw/zinc/54/10/85/721541085.db2.gz GUUVAMCUHSJBHO-WBVHZDCISA-N 1 1 423.448 2.292 20 0 HEADMO CCOC(=O)c1cc(C)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164803030 721542656 /nfs/dbraw/zinc/54/26/56/721542656.db2.gz HLARFVQIOGTBPW-SLFFLAALSA-N 1 1 411.506 2.225 20 0 HEADMO CCOC(=O)c1cc(C)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164803030 721542658 /nfs/dbraw/zinc/54/26/58/721542658.db2.gz HLARFVQIOGTBPW-SLFFLAALSA-N 1 1 411.506 2.225 20 0 HEADMO O=C1CCC(=O)N1Cc1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164903064 721544072 /nfs/dbraw/zinc/54/40/72/721544072.db2.gz BYSJUXFENQPXRN-AZUAARDMSA-N 1 1 424.476 2.212 20 0 HEADMO CN1CCOc2c(Cl)nnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164903074 721549126 /nfs/dbraw/zinc/54/91/26/721549126.db2.gz CBVDVDOURHTXQM-GDBMZVCRSA-N 1 1 419.888 2.440 20 0 HEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C(N)=O)[C@@H]2CCCO[C@@H]12 ZINC001164798204 721555542 /nfs/dbraw/zinc/55/55/42/721555542.db2.gz ATSUXLJCHUWELX-JFIYKMOQSA-N 1 1 401.898 2.097 20 0 HEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C(N)=O)[C@@H]2CCCO[C@@H]12 ZINC001164798204 721555545 /nfs/dbraw/zinc/55/55/45/721555545.db2.gz ATSUXLJCHUWELX-JFIYKMOQSA-N 1 1 401.898 2.097 20 0 HEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164809911 721559204 /nfs/dbraw/zinc/55/92/04/721559204.db2.gz YAMJWKVVTAGDLV-TUNNFDKTSA-N 1 1 407.518 2.237 20 0 HEADMO CCOC(=O)c1ncnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C ZINC001164799561 721559873 /nfs/dbraw/zinc/55/98/73/721559873.db2.gz CJXVERAXTZOPIK-CMKODMSKSA-N 1 1 411.506 2.225 20 0 HEADMO CCOC(=O)c1ncnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C ZINC001164799561 721559876 /nfs/dbraw/zinc/55/98/76/721559876.db2.gz CJXVERAXTZOPIK-CMKODMSKSA-N 1 1 411.506 2.225 20 0 HEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c2CNC3=O)[C@@H]2CCCO[C@@H]12 ZINC001164804739 721563228 /nfs/dbraw/zinc/56/32/28/721563228.db2.gz MRJAEXAXXOYQMK-ZHALLVOQSA-N 1 1 413.909 2.242 20 0 HEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c2CNC3=O)[C@@H]2CCCO[C@@H]12 ZINC001164804739 721563230 /nfs/dbraw/zinc/56/32/30/721563230.db2.gz MRJAEXAXXOYQMK-ZHALLVOQSA-N 1 1 413.909 2.242 20 0 HEADMO COC(=O)c1nc(Cl)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164810966 721584830 /nfs/dbraw/zinc/58/48/30/721584830.db2.gz WUWWEGZXAWTIHU-RLFYNMQTSA-N 1 1 417.897 2.180 20 0 HEADMO COC(=O)c1nc(Cl)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164810966 721584832 /nfs/dbraw/zinc/58/48/32/721584832.db2.gz WUWWEGZXAWTIHU-RLFYNMQTSA-N 1 1 417.897 2.180 20 0 HEADMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc2c1ccn2C ZINC001164800767 721589223 /nfs/dbraw/zinc/58/92/23/721589223.db2.gz CQZMOBXWFMLCHI-GBESFXJTSA-N 1 1 408.506 2.240 20 0 HEADMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc2c1ccn2C ZINC001164800767 721589225 /nfs/dbraw/zinc/58/92/25/721589225.db2.gz CQZMOBXWFMLCHI-GBESFXJTSA-N 1 1 408.506 2.240 20 0 HEADMO CCNC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164909714 721730608 /nfs/dbraw/zinc/73/06/08/721730608.db2.gz DDNBGGWUSZGINN-HXUWFJFHSA-N 1 1 416.476 2.359 20 0 HEADMO COc1ccc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912811 721774471 /nfs/dbraw/zinc/77/44/71/721774471.db2.gz QDJLFBHHZGZGRM-HSZRJFAPSA-N 1 1 421.501 2.141 20 0 HEADMO COc1ccc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912811 721774473 /nfs/dbraw/zinc/77/44/73/721774473.db2.gz QDJLFBHHZGZGRM-HSZRJFAPSA-N 1 1 421.501 2.141 20 0 HEADMO C[N@@H+](Cc1ccc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1)C1CC1 ZINC001164914966 721795920 /nfs/dbraw/zinc/79/59/20/721795920.db2.gz SGWZBYRZMLCAFS-DEOSSOPVSA-N 1 1 423.561 2.179 20 0 HEADMO COCCN1CCO[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@H]2C1=O ZINC001164919778 721843185 /nfs/dbraw/zinc/84/31/85/721843185.db2.gz CVFJEUHWXLLWMJ-MSOLQXFVSA-N 1 1 422.957 2.031 20 0 HEADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCN(C)C)OCC ZINC001164921489 721863576 /nfs/dbraw/zinc/86/35/76/721863576.db2.gz CYSQPLATWNPBDL-SJORKVTESA-N 1 1 411.978 2.286 20 0 HEADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2CCN(C)C)OCC ZINC001164921489 721863579 /nfs/dbraw/zinc/86/35/79/721863579.db2.gz CYSQPLATWNPBDL-SJORKVTESA-N 1 1 411.978 2.286 20 0 HEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164926355 721864659 /nfs/dbraw/zinc/86/46/59/721864659.db2.gz RTHDOYMRNMPSBH-DLBZAZTESA-N 1 1 403.914 2.284 20 0 HEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164926355 721864662 /nfs/dbraw/zinc/86/46/62/721864662.db2.gz RTHDOYMRNMPSBH-DLBZAZTESA-N 1 1 403.914 2.284 20 0 HEADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nccc(-c2cnc(N3CCCCC3)nc2)n1 ZINC001164920842 721869242 /nfs/dbraw/zinc/86/92/42/721869242.db2.gz BAGQIUKKPUEGSU-SFTDATJTSA-N 1 1 422.581 2.139 20 0 HEADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nccc(-c2cnc(N3CCCCC3)nc2)n1 ZINC001164920842 721869244 /nfs/dbraw/zinc/86/92/44/721869244.db2.gz BAGQIUKKPUEGSU-SFTDATJTSA-N 1 1 422.581 2.139 20 0 HEADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nccc(-c2cnc(N3CCCCC3)nc2)n1 ZINC001164920840 721869526 /nfs/dbraw/zinc/86/95/26/721869526.db2.gz BAGQIUKKPUEGSU-NHCUHLMSSA-N 1 1 422.581 2.139 20 0 HEADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nccc(-c2cnc(N3CCCCC3)nc2)n1 ZINC001164920840 721869528 /nfs/dbraw/zinc/86/95/28/721869528.db2.gz BAGQIUKKPUEGSU-NHCUHLMSSA-N 1 1 422.581 2.139 20 0 HEADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164922345 721873322 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KFBGUFNTENPSEQ-VXKWHMMOSA-N 1 1 421.593 2.018 20 0 HEADMO c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(c2nc4scnc4c(N4CCOCC4)n2)C3)co1 ZINC001164928391 721900161 /nfs/dbraw/zinc/90/01/61/721900161.db2.gz IGDOKSZNRIONJF-CVEARBPZSA-N 1 1 412.519 2.227 20 0 HEADMO Cn1ccc(CN2CCOCC23CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)CC3)n1 ZINC001164936312 721908915 /nfs/dbraw/zinc/90/89/15/721908915.db2.gz VJQFVKRHEBRSCX-UHFFFAOYSA-N 1 1 410.566 2.281 20 0 HEADMO Cc1ccc(CN2CCOC3(CCN(c4ncnc5c4CC[NH2+]CC5)CC3)C2)cc1 ZINC001164937907 721920243 /nfs/dbraw/zinc/92/02/43/721920243.db2.gz HFEXDIZUNFHQPN-UHFFFAOYSA-N 1 1 407.562 2.345 20 0 HEADMO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165047483 721961737 /nfs/dbraw/zinc/96/17/37/721961737.db2.gz UBWBMZJOJAJPEU-QGZVFWFLSA-N 1 1 404.898 2.499 20 0 HEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3C[N@H+](C(C)(C)c4ccnc(Cl)c4)CC[C@H]23)cn1 ZINC001164956069 722032347 /nfs/dbraw/zinc/03/23/47/722032347.db2.gz BNEJEGMIZZRKBH-SZMVWBNQSA-N 1 1 417.941 2.471 20 0 HEADMO CN1CCN(c2cccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)n2)CC1 ZINC001164958068 722051232 /nfs/dbraw/zinc/05/12/32/722051232.db2.gz BKNWSNIAZDVART-DNVFCKCGSA-N 1 1 408.550 2.134 20 0 HEADMO CCOC(=O)c1sc2ncnc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164965287 722067378 /nfs/dbraw/zinc/06/73/78/722067378.db2.gz HLGBTKAPBZDCIL-GASCZTMLSA-N 1 1 402.520 2.476 20 0 HEADMO COc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(SC)n1 ZINC001164981161 722117264 /nfs/dbraw/zinc/11/72/64/722117264.db2.gz TZFRMHGSINKZMG-IRXDYDNUSA-N 1 1 401.536 2.329 20 0 HEADMO COC(=O)c1cc(F)c(C)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971391 722118316 /nfs/dbraw/zinc/11/83/16/722118316.db2.gz BVNMDLISAXCDSQ-PXNSSMCTSA-N 1 1 414.481 2.438 20 0 HEADMO Cn1c(=O)ccc2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164982027 722119764 /nfs/dbraw/zinc/11/97/64/722119764.db2.gz VTRQDRCLZQFVIY-PMACEKPBSA-N 1 1 405.502 2.056 20 0 HEADMO CCOC(=O)c1ncnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164981515 722124452 /nfs/dbraw/zinc/12/44/52/722124452.db2.gz UIPHCIZCLLEAKA-MOPGFXCFSA-N 1 1 411.506 2.084 20 0 HEADMO F[C@H](Oc1ccc(Cl)nn1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975312 722157218 /nfs/dbraw/zinc/15/72/18/722157218.db2.gz SCZNALNGQSVXOM-GJYPPUQNSA-N 1 1 407.877 2.380 20 0 HEADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc(Cl)nc2)CC3)CC1 ZINC001164997708 722228765 /nfs/dbraw/zinc/22/87/65/722228765.db2.gz UADJQVILIGPMQF-UHFFFAOYSA-N 1 1 408.884 2.427 20 0 HEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4ccc(Cl)cc42)CC3)CC1 ZINC001164997694 722230807 /nfs/dbraw/zinc/23/08/07/722230807.db2.gz SRVAIJWUQLCXML-UHFFFAOYSA-N 1 1 409.925 2.430 20 0 HEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cnc4cc(Cl)ccc4n2)CC3)CC1 ZINC001164998165 722232162 /nfs/dbraw/zinc/23/21/62/722232162.db2.gz YXWAIXYYKDMXDA-UHFFFAOYSA-N 1 1 409.925 2.430 20 0 HEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc4nccc(Cl)c4cn2)CC3)CC1 ZINC001164997576 722232725 /nfs/dbraw/zinc/23/27/25/722232725.db2.gz QTDWXTVPMDDQJC-UHFFFAOYSA-N 1 1 409.925 2.430 20 0 HEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(-c4ccncc4)cn2)CC3)CC1 ZINC001165002738 722236850 /nfs/dbraw/zinc/23/68/50/722236850.db2.gz XXUHHLARLISLRP-UHFFFAOYSA-N 1 1 401.518 2.291 20 0 HEADMO CCc1nc(Cl)nc(Cl)c1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165001230 722239827 /nfs/dbraw/zinc/23/98/27/722239827.db2.gz DUEUZRMQDMXMFI-UHFFFAOYSA-N 1 1 422.364 2.493 20 0 HEADMO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccnc(Cl)c3)CC2)cc1 ZINC000745456066 1078489860 /nfs/dbraw/zinc/48/98/60/1078489860.db2.gz PBWLQLCJYVGMLO-UHFFFAOYSA-N 1 1 408.911 2.233 20 0 HEADMO CN(C)c1ccc(NC(=O)CC[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 ZINC000769660916 1078499577 /nfs/dbraw/zinc/49/95/77/1078499577.db2.gz RFVRSLFUWYHGKL-FQEVSTJZSA-N 1 1 402.539 2.185 20 0 HEADMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000769706603 1078529610 /nfs/dbraw/zinc/52/96/10/1078529610.db2.gz BETXPLCSOLDRNG-UHFFFAOYSA-N 1 1 411.543 2.462 20 0 HEADMO CN(CCCC(=O)NCC[N@H+]1CCCC(C)(C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000769707818 1078530249 /nfs/dbraw/zinc/53/02/49/1078530249.db2.gz NEEPJUVMJLRMQK-UHFFFAOYSA-N 1 1 420.579 2.086 20 0 HEADMO C[C@@H](NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000769719746 1078535067 /nfs/dbraw/zinc/53/50/67/1078535067.db2.gz LUAYVGSXFRSHNN-SJLPKXTDSA-N 1 1 412.575 2.384 20 0 HEADMO C[C@@H](NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000769719746 1078535076 /nfs/dbraw/zinc/53/50/76/1078535076.db2.gz LUAYVGSXFRSHNN-SJLPKXTDSA-N 1 1 412.575 2.384 20 0 HEADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCn1cncn1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001109514817 1078538208 /nfs/dbraw/zinc/53/82/08/1078538208.db2.gz BBKVFPSLOPPKHS-TXVWBRJLSA-N 1 1 401.555 2.233 20 0 HEADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2nccn3c(Br)cnc23)[C@H](C)C1 ZINC000769740682 1078555349 /nfs/dbraw/zinc/55/53/49/1078555349.db2.gz FRKLOMKOHUOHPQ-ZIAGYGMSSA-N 1 1 424.343 2.359 20 0 HEADMO 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Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cccc1N1CCOC1=O ZINC000746454889 1078985295 /nfs/dbraw/zinc/98/52/95/1078985295.db2.gz RGEBPGKZWNNKAZ-KRWDZBQOSA-N 1 1 416.522 2.374 20 0 HEADMO COC(=O)C1(C)CCC([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccncc4)[C@H]3C2)CC1 ZINC001168790609 1078987737 /nfs/dbraw/zinc/98/77/37/1078987737.db2.gz ODTBIGDANOELQG-ZHRICRRYSA-N 1 1 415.534 2.270 20 0 HEADMO COC(=O)C1(C)CCC([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cccn4C)[C@H]3C2)CC1 ZINC001168791259 1078992347 /nfs/dbraw/zinc/99/23/47/1078992347.db2.gz WLTGFQNFVGNTDV-DZXKSHRGSA-N 1 1 417.550 2.214 20 0 HEADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc2c(c1)NC(=O)CO2 ZINC001168792532 1078998411 /nfs/dbraw/zinc/99/84/11/1078998411.db2.gz URFUHWAWVMYXLQ-DRBUTMMVSA-N 1 1 421.497 2.126 20 0 HEADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)Nc2cnn(C)c2C2CC2)C[C@@H](C)O1 ZINC000770778616 1079009948 /nfs/dbraw/zinc/00/99/48/1079009948.db2.gz AVTMQFYDVSEPLV-HUUCEWRRSA-N 1 1 411.506 2.484 20 0 HEADMO NC(=O)c1c(NC(=O)CC[N@H+]2CC[C@](O)(C(F)(F)F)C2)sc2c1CCCC2 ZINC000746464796 1079023363 /nfs/dbraw/zinc/02/33/63/1079023363.db2.gz ZGDPNHGTJWFBCG-MRXNPFEDSA-N 1 1 405.442 2.054 20 0 HEADMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+]C2(C(N)=O)CCCC2)cc1 ZINC000746473512 1079028648 /nfs/dbraw/zinc/02/86/48/1079028648.db2.gz ZFSIGAJYYYBOLX-UHFFFAOYSA-N 1 1 410.474 2.274 20 0 HEADMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+]C2(C(N)=O)CCCC2)cc1 ZINC000746475488 1079030314 /nfs/dbraw/zinc/03/03/14/1079030314.db2.gz MSJOMNUKPVJZKX-UHFFFAOYSA-N 1 1 408.502 2.251 20 0 HEADMO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168859360 1079055271 /nfs/dbraw/zinc/05/52/71/1079055271.db2.gz RRNRTFBYTSHNQK-NCXUSEDFSA-N 1 1 417.554 2.402 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168843927 1079051392 /nfs/dbraw/zinc/05/13/92/1079051392.db2.gz AUMRZHMPZMAIGK-NTZUZEMLSA-N 1 1 423.554 2.418 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCCO3)C2)CN1C(=O)OC(C)(C)C ZINC001168855081 1079053567 /nfs/dbraw/zinc/05/35/67/1079053567.db2.gz IRPLTXGHPZWCBK-XCDZQEORSA-N 1 1 423.554 2.275 20 0 HEADMO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168861312 1079056049 /nfs/dbraw/zinc/05/60/49/1079056049.db2.gz XSIQBNNRTDRTDQ-FVVUREQNSA-N 1 1 407.555 2.201 20 0 HEADMO CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+]([C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)C2 ZINC001168861321 1079056115 /nfs/dbraw/zinc/05/61/15/1079056115.db2.gz XWMSLRLNHZRLDD-IDVKNYFZSA-N 1 1 409.571 2.495 20 0 HEADMO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168866274 1079057627 /nfs/dbraw/zinc/05/76/27/1079057627.db2.gz NWYLOSKJDDLZQC-OQIJWPOYSA-N 1 1 400.523 2.483 20 0 HEADMO NC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001168847628 1079060270 /nfs/dbraw/zinc/06/02/70/1079060270.db2.gz DWHPJZDHGUVZQR-DYXWJJEUSA-N 1 1 407.942 2.212 20 0 HEADMO COc1ccc(CN2CC[C@@H]([N@@H+]3C[C@H]4CN(c5ncccn5)C[C@H]4C3)CC2=O)cc1 ZINC001168936657 1079079346 /nfs/dbraw/zinc/07/93/46/1079079346.db2.gz SOBGGIIIZUVSGO-HSALFYBXSA-N 1 1 407.518 2.044 20 0 HEADMO CN(C)S(=O)(=O)c1ccc(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000770873039 1079076769 /nfs/dbraw/zinc/07/67/69/1079076769.db2.gz WDGHPBAYYWJLRX-SFHVURJKSA-N 1 1 417.531 2.401 20 0 HEADMO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000770956625 1079077713 /nfs/dbraw/zinc/07/77/13/1079077713.db2.gz VZBXLHZRVQHGPD-KRWDZBQOSA-N 1 1 424.574 2.441 20 0 HEADMO COc1ccc(CN2CC[C@@H]([N@H+]3CC[C@H](Oc4ncc(F)cn4)C3)CC2=O)cc1 ZINC001168959406 1079091715 /nfs/dbraw/zinc/09/17/15/1079091715.db2.gz VREKDGVSGHJQFZ-MJGOQNOKSA-N 1 1 400.454 2.269 20 0 HEADMO Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3C[C@]4(C)C[N@H+](C)C[C@]4(C)C3)c2)cc1 ZINC001168929263 1079088127 /nfs/dbraw/zinc/08/81/27/1079088127.db2.gz HGDVVZFIUFSOEF-OYRHEFFESA-N 1 1 401.532 2.447 20 0 HEADMO 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C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1cc(=O)n3c(n1)CN(C(=O)OC(C)(C)C)CCC3)C2 ZINC001169094913 1079127470 /nfs/dbraw/zinc/12/74/70/1079127470.db2.gz NJKSTHPLMXMHPL-VBUUOAMHSA-N 1 1 417.554 2.099 20 0 HEADMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc2c([nH]c1=O)CCC2 ZINC000766581784 1079132268 /nfs/dbraw/zinc/13/22/68/1079132268.db2.gz MNLIUFKKYAFGSA-UHFFFAOYSA-N 1 1 400.910 2.481 20 0 HEADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC[C@H]21 ZINC000766581902 1079132279 /nfs/dbraw/zinc/13/22/79/1079132279.db2.gz GRMGAEUCPZXSGT-RDTXWAMCSA-N 1 1 406.477 2.446 20 0 HEADMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)CCN1c1nccn2cnnc12 ZINC000771119814 1079141048 /nfs/dbraw/zinc/14/10/48/1079141048.db2.gz GOAOIPDNIYGMSH-CZUORRHYSA-N 1 1 406.412 2.387 20 0 HEADMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)CCN1c1nccn2cnnc12 ZINC000771119814 1079141050 /nfs/dbraw/zinc/14/10/50/1079141050.db2.gz GOAOIPDNIYGMSH-CZUORRHYSA-N 1 1 406.412 2.387 20 0 HEADMO CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C[C@H]1OC ZINC000766600229 1079147301 /nfs/dbraw/zinc/14/73/01/1079147301.db2.gz GKJOLGJNMHDCRH-WOJBJXKFSA-N 1 1 416.566 2.477 20 0 HEADMO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129849 1079150231 /nfs/dbraw/zinc/15/02/31/1079150231.db2.gz KURLUCOJSNWRJU-JYLXEMOASA-N 1 1 409.571 2.340 20 0 HEADMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129849 1079150234 /nfs/dbraw/zinc/15/02/34/1079150234.db2.gz KURLUCOJSNWRJU-JYLXEMOASA-N 1 1 409.571 2.340 20 0 HEADMO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129849 1079150238 /nfs/dbraw/zinc/15/02/38/1079150238.db2.gz KURLUCOJSNWRJU-JYLXEMOASA-N 1 1 409.571 2.340 20 0 HEADMO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129849 1079150242 /nfs/dbraw/zinc/15/02/42/1079150242.db2.gz KURLUCOJSNWRJU-JYLXEMOASA-N 1 1 409.571 2.340 20 0 HEADMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCN(C(=O)OC(C)(C)C)C[C@]3(CCCC(=O)N3)C1)C2 ZINC001169131778 1079151269 /nfs/dbraw/zinc/15/12/69/1079151269.db2.gz YZFBUDIBDYCKMR-SUWCGCSTSA-N 1 1 406.571 2.203 20 0 HEADMO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[NH+]3CCN(c4ncc(F)cn4)CC3)C2)C1 ZINC001169135700 1079152759 /nfs/dbraw/zinc/15/27/59/1079152759.db2.gz GJDPTQDAKQLRTD-DYESRHJHSA-N 1 1 421.517 2.154 20 0 HEADMO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC1)C2 ZINC001169138479 1079155731 /nfs/dbraw/zinc/15/57/31/1079155731.db2.gz HHUKQIDIIGYBQQ-CEQLMSFQSA-N 1 1 410.566 2.371 20 0 HEADMO COC(=O)[C@@](C)([NH3+])Cc1cn(-c2cncc(C(=O)N3CCCC3)n2)c2ccccc12 ZINC001169110815 1079158410 /nfs/dbraw/zinc/15/84/10/1079158410.db2.gz HQIKDABIPNGMGX-QFIPXVFZSA-N 1 1 407.474 2.089 20 0 HEADMO COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccnn(Cc3cccnc3)c2=O)c2ccccc12 ZINC001169112841 1079160247 /nfs/dbraw/zinc/16/02/47/1079160247.db2.gz MSQORBUHPNIWIR-HSZRJFAPSA-N 1 1 417.469 2.063 20 0 HEADMO 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CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000746220581 1078825265 /nfs/dbraw/zinc/82/52/65/1078825265.db2.gz WZDPBVAEPHUZHM-HSALFYBXSA-N 1 1 417.550 2.215 20 0 HEADMO Cc1noc(C(F)(F)F)c1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000746238069 1078828738 /nfs/dbraw/zinc/82/87/38/1078828738.db2.gz GKYDYOAWQXBSPA-UHFFFAOYSA-N 1 1 402.417 2.018 20 0 HEADMO O=C(CCn1nnc2ccccc2c1=O)O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000770359517 1078830537 /nfs/dbraw/zinc/83/05/37/1078830537.db2.gz JLIXNDKWFBKXCY-HXUWFJFHSA-N 1 1 418.497 2.488 20 0 HEADMO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000746249292 1078832076 /nfs/dbraw/zinc/83/20/76/1078832076.db2.gz WXOYEQIFSMKSAQ-QGZVFWFLSA-N 1 1 404.555 2.419 20 0 HEADMO Cc1cccc(C2N=NC(=S)N2CCC(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000770369411 1078832606 /nfs/dbraw/zinc/83/26/06/1078832606.db2.gz NPSYNQUSXZJEHU-SFHVURJKSA-N 1 1 417.579 2.285 20 0 HEADMO 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1078852351 /nfs/dbraw/zinc/85/23/51/1078852351.db2.gz DPMHVYGHDBUTLM-UHFFFAOYSA-N 1 1 405.305 2.300 20 0 HEADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000746317314 1078856666 /nfs/dbraw/zinc/85/66/66/1078856666.db2.gz VECDSBUETSPKKS-OAHLLOKOSA-N 1 1 424.498 2.129 20 0 HEADMO O=C(NC1CCC(O)(c2cccnc2)CC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000770448213 1078857538 /nfs/dbraw/zinc/85/75/38/1078857538.db2.gz LUDVUTQEULCBPJ-FGNUKQJGSA-N 1 1 402.539 2.154 20 0 HEADMO C[NH+]1CCN(CCCCNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000746330185 1078861149 /nfs/dbraw/zinc/86/11/49/1078861149.db2.gz GQKXSKZHUBCSFN-LEWJYISDSA-N 1 1 406.546 2.451 20 0 HEADMO COc1cccc(/C=C(/C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)n2nnnc2C)c1 ZINC000746348282 1078868784 /nfs/dbraw/zinc/86/87/84/1078868784.db2.gz SRWYBXGCOBAJMD-GFIJVFARSA-N 1 1 410.522 2.179 20 0 HEADMO CC(C)OCC[NH+]1CCN(C(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000746350913 1078870062 /nfs/dbraw/zinc/87/00/62/1078870062.db2.gz 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/nfs/dbraw/zinc/91/55/36/1078915536.db2.gz OSWHMZXKURDVNY-JWRCQZCYSA-N 1 1 414.527 2.486 20 0 HEADMO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[NH+](CCOC(C)C)CC3)C2=O)cc1 ZINC000746422225 1078917006 /nfs/dbraw/zinc/91/70/06/1078917006.db2.gz OBQKCALNIHRDNF-FQEVSTJZSA-N 1 1 402.539 2.243 20 0 HEADMO C[C@H](CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)C[NH+]1CCOCC1 ZINC000770681521 1078932565 /nfs/dbraw/zinc/93/25/65/1078932565.db2.gz MSMCBMCFORYHJA-AEFFLSMTSA-N 1 1 412.575 2.337 20 0 HEADMO CCC[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)CC[N@H+]1CCOC ZINC000766372966 1078938652 /nfs/dbraw/zinc/93/86/52/1078938652.db2.gz DSSDWTNRHFXERL-WIYYLYMNSA-N 1 1 422.957 2.497 20 0 HEADMO CCC[C@H]1CN(Cn2nc(-c3cnccn3)n(CC)c2=S)CC[N@H+]1CCOC ZINC000766373290 1078941223 /nfs/dbraw/zinc/94/12/23/1078941223.db2.gz GDXOULXMEQNREI-INIZCTEOSA-N 1 1 405.572 2.281 20 0 HEADMO C[C@@H]1[C@H](C)N(S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CC[N@H+]1C ZINC000770724601 1078951877 /nfs/dbraw/zinc/95/18/77/1078951877.db2.gz 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20 0 HEADMO Cc1nc(-c2ccccc2NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)no1 ZINC000746454102 1078983479 /nfs/dbraw/zinc/98/34/79/1078983479.db2.gz PWYOUUQCWYWICN-KXBFYZLASA-N 1 1 409.490 2.459 20 0 HEADMO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cccc1N1CCOC1=O ZINC000746454891 1078985437 /nfs/dbraw/zinc/98/54/37/1078985437.db2.gz RGEBPGKZWNNKAZ-QGZVFWFLSA-N 1 1 416.522 2.374 20 0 HEADMO COc1cccc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1F ZINC000770765800 1078986078 /nfs/dbraw/zinc/98/60/78/1078986078.db2.gz PPZVJUPLYLPRFV-KRWDZBQOSA-N 1 1 415.465 2.046 20 0 HEADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000804278776 1078994597 /nfs/dbraw/zinc/99/45/97/1078994597.db2.gz JMEJEHVIFMHQGE-TZIWHRDSSA-N 1 1 407.514 2.135 20 0 HEADMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)[C@H](C)C1 ZINC000746470487 1079021060 /nfs/dbraw/zinc/02/10/60/1079021060.db2.gz GUAGHUFGFXRCSS-UKRRQHHQSA-N 1 1 403.495 2.284 20 0 HEADMO 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/nfs/dbraw/zinc/39/04/75/721390475.db2.gz QAAVEQJZNLJKQG-GCJKJVERSA-N 1 1 420.529 2.163 20 0 HEADMO O=C1NCCc2[nH]c(-c3ccnc(N4C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C4)c3)cc21 ZINC001164784117 721408015 /nfs/dbraw/zinc/40/80/15/721408015.db2.gz KOIZFVUBRXGIJA-HZPDHXFCSA-N 1 1 420.542 2.387 20 0 HEADMO CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164790847 721412545 /nfs/dbraw/zinc/41/25/45/721412545.db2.gz XYQOMLNGSSSFQO-OKILXGFUSA-N 1 1 407.927 2.393 20 0 HEADMO CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164790847 721412548 /nfs/dbraw/zinc/41/25/48/721412548.db2.gz XYQOMLNGSSSFQO-OKILXGFUSA-N 1 1 407.927 2.393 20 0 HEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nnc(Cl)c5cccnc54)C3)O2)CC1 ZINC001164892595 721413008 /nfs/dbraw/zinc/41/30/08/721413008.db2.gz YXILEKHXBDAKPH-KKSFZXQISA-N 1 1 416.957 2.444 20 0 HEADMO CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1C ZINC001164888783 721416619 /nfs/dbraw/zinc/41/66/19/721416619.db2.gz 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CN1Cc2ccccc2CC2(CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)C1=O ZINC001164891187 721473937 /nfs/dbraw/zinc/47/39/37/721473937.db2.gz BWWNQAGFWFZQQR-UHFFFAOYSA-N 1 1 420.561 2.030 20 0 HEADMO COC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900494 721511502 /nfs/dbraw/zinc/51/15/02/721511502.db2.gz RGQBZABHQGVVHF-HIFRSBDPSA-N 1 1 406.845 2.398 20 0 HEADMO CCOC(=O)c1cc(C)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164896260 721523445 /nfs/dbraw/zinc/52/34/45/721523445.db2.gz AEKVAHYMMYAYCH-AEFFLSMTSA-N 1 1 400.454 2.443 20 0 HEADMO COc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(SC)n1 ZINC001164808814 721554053 /nfs/dbraw/zinc/55/40/53/721554053.db2.gz VSZLXCPQOCHPJH-GJYPPUQNSA-N 1 1 401.536 2.470 20 0 HEADMO COc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(SC)n1 ZINC001164808814 721554057 /nfs/dbraw/zinc/55/40/57/721554057.db2.gz VSZLXCPQOCHPJH-GJYPPUQNSA-N 1 1 401.536 2.470 20 0 HEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C(N)=O)[C@H]2CCCO[C@@H]12 ZINC001164798206 721556157 /nfs/dbraw/zinc/55/61/57/721556157.db2.gz ATSUXLJCHUWELX-LZLYRXPVSA-N 1 1 401.898 2.097 20 0 HEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C(N)=O)[C@H]2CCCO[C@@H]12 ZINC001164798206 721556158 /nfs/dbraw/zinc/55/61/58/721556158.db2.gz ATSUXLJCHUWELX-LZLYRXPVSA-N 1 1 401.898 2.097 20 0 HEADMO CCOC(=O)c1ncnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C ZINC001164799562 721559642 /nfs/dbraw/zinc/55/96/42/721559642.db2.gz CJXVERAXTZOPIK-HBFSDRIKSA-N 1 1 411.506 2.225 20 0 HEADMO CCOC(=O)c1ncnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C ZINC001164799562 721559643 /nfs/dbraw/zinc/55/96/43/721559643.db2.gz CJXVERAXTZOPIK-HBFSDRIKSA-N 1 1 411.506 2.225 20 0 HEADMO COC(=O)c1nccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908512 721587593 /nfs/dbraw/zinc/58/75/93/721587593.db2.gz ZRTRLVLLGQBBGK-LJQANCHMSA-N 1 1 403.433 2.396 20 0 HEADMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2c1ccn2C ZINC001164800774 721589243 /nfs/dbraw/zinc/58/92/43/721589243.db2.gz CQZMOBXWFMLCHI-QYZOEREBSA-N 1 1 408.506 2.240 20 0 HEADMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2c1ccn2C ZINC001164800774 721589245 /nfs/dbraw/zinc/58/92/45/721589245.db2.gz CQZMOBXWFMLCHI-QYZOEREBSA-N 1 1 408.506 2.240 20 0 HEADMO Cc1cccc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164916063 721785212 /nfs/dbraw/zinc/78/52/12/721785212.db2.gz OQTPQLQRCXLIOX-QHCPKHFHSA-N 1 1 405.502 2.441 20 0 HEADMO Cc1cccc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164916063 721785213 /nfs/dbraw/zinc/78/52/13/721785213.db2.gz OQTPQLQRCXLIOX-QHCPKHFHSA-N 1 1 405.502 2.441 20 0 HEADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)C[C@@H]32)cc1 ZINC001165027466 721796898 /nfs/dbraw/zinc/79/68/98/721796898.db2.gz VUWOVKCVMIPSMJ-VXKWHMMOSA-N 1 1 422.529 2.301 20 0 HEADMO 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VBYWALGCFHTHOE-NVXWUHKLSA-N 1 1 400.914 2.164 20 0 HEADMO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977348 722108799 /nfs/dbraw/zinc/10/87/99/722108799.db2.gz MQXAUMKFJPTPHN-QUCCMNQESA-N 1 1 411.506 2.084 20 0 HEADMO Cc1nc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2[nH]1 ZINC001164978238 722109012 /nfs/dbraw/zinc/10/90/12/722109012.db2.gz OAMRASXJOREFNI-CVEARBPZSA-N 1 1 413.913 2.437 20 0 HEADMO Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973090 722110014 /nfs/dbraw/zinc/11/00/14/722110014.db2.gz GKYXQNZEUADWBC-HZPDHXFCSA-N 1 1 413.913 2.139 20 0 HEADMO COCc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(SC)n1 ZINC001164983142 722115750 /nfs/dbraw/zinc/11/57/50/722115750.db2.gz YJYHUDITZCBPHK-HKUYNNGSSA-N 1 1 415.563 2.467 20 0 HEADMO COc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(SC)n1 ZINC001164981158 722117435 /nfs/dbraw/zinc/11/74/35/722117435.db2.gz TZFRMHGSINKZMG-DLBZAZTESA-N 1 1 401.536 2.329 20 0 HEADMO 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BYBLPZGDAHULAF-HZPDHXFCSA-N 1 1 405.543 2.331 20 0 HEADMO Cc1c(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cccc1N1CCOC1=O ZINC000743897483 1077208892 /nfs/dbraw/zinc/20/88/92/1077208892.db2.gz SAOCKNYATODSAW-GJZGRUSLSA-N 1 1 402.495 2.127 20 0 HEADMO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000743897402 1077209444 /nfs/dbraw/zinc/20/94/44/1077209444.db2.gz PKJIGMUGPCHGJP-UHFFFAOYSA-N 1 1 410.474 2.138 20 0 HEADMO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000743898216 1077210723 /nfs/dbraw/zinc/21/07/23/1077210723.db2.gz RLPMXYDNQJGVLF-UXLLHSPISA-N 1 1 416.522 2.373 20 0 HEADMO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1NC(=O)OC(C)(C)C ZINC000743919703 1077240303 /nfs/dbraw/zinc/24/03/03/1077240303.db2.gz LLNCQGPAWNXZAR-AWEZNQCLSA-N 1 1 418.494 2.334 20 0 HEADMO CN(C(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000743919718 1077240988 /nfs/dbraw/zinc/24/09/88/1077240988.db2.gz LZGMBDFDIOGJQC-INIZCTEOSA-N 1 1 412.534 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CC(=O)N1CCC[C@]2(C1)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CCO2 ZINC001164969775 722083492 /nfs/dbraw/zinc/08/34/92/722083492.db2.gz SHCINEOVBSHREA-DEOSSOPVSA-N 1 1 421.545 2.253 20 0 HEADMO CC(=O)N1CCC[C@]2(C1)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CCO2 ZINC001164969775 722083495 /nfs/dbraw/zinc/08/34/95/722083495.db2.gz SHCINEOVBSHREA-DEOSSOPVSA-N 1 1 421.545 2.253 20 0 HEADMO C[NH+]1CCN(c2nccc(N3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)n2)CC1 ZINC001164973674 722091940 /nfs/dbraw/zinc/09/19/40/722091940.db2.gz BXUKESNQVXZYPL-LJQANCHMSA-N 1 1 412.582 2.141 20 0 HEADMO COc1cnc(SC)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984360 722102742 /nfs/dbraw/zinc/10/27/42/722102742.db2.gz SUFITKBBKVFUSS-FUHWJXTLSA-N 1 1 401.536 2.329 20 0 HEADMO COC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1 ZINC001164973872 722111253 /nfs/dbraw/zinc/11/12/53/722111253.db2.gz HTUQBLJXSFEFLR-APWZRJJASA-N 1 1 400.454 2.130 20 0 HEADMO COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971393 722118541 /nfs/dbraw/zinc/11/85/41/722118541.db2.gz BVNMDLISAXCDSQ-YLJYHZDGSA-N 1 1 414.481 2.438 20 0 HEADMO COC(=O)c1cc(F)c(C)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971390 722118691 /nfs/dbraw/zinc/11/86/91/722118691.db2.gz BVNMDLISAXCDSQ-FXAWDEMLSA-N 1 1 414.481 2.438 20 0 HEADMO COC(=O)c1nc(Cl)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972417 722120376 /nfs/dbraw/zinc/12/03/76/722120376.db2.gz FDYATNLHGFXGGQ-HZPDHXFCSA-N 1 1 417.897 2.039 20 0 HEADMO CC(C)c1nc(N(C)C)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979777 722126538 /nfs/dbraw/zinc/12/65/38/722126538.db2.gz PXLVEPZRPGRORV-OALUTQOASA-N 1 1 411.554 2.183 20 0 HEADMO COc1cnc2c(c1)ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984195 722135365 /nfs/dbraw/zinc/13/53/65/722135365.db2.gz WIUFGSQLWBLETR-FXAWDEMLSA-N 1 1 406.490 2.156 20 0 HEADMO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N(C)C)nc(C)[nH+]4)CC[C@H]32)cs1 ZINC001164991606 722175944 /nfs/dbraw/zinc/17/59/44/722175944.db2.gz YLHKJKCSONQZPT-MSOLQXFVSA-N 1 1 402.568 2.486 20 0 HEADMO Cc1c[nH]c2nc(Cl)nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c12 ZINC001164996457 722231768 /nfs/dbraw/zinc/23/17/68/722231768.db2.gz HTJGLFZCPZQTHM-UHFFFAOYSA-N 1 1 412.929 2.067 20 0 HEADMO CSc1ccc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2c1 ZINC001165001198 722239866 /nfs/dbraw/zinc/23/98/66/722239866.db2.gz DCDPYUCHKKTKOI-UHFFFAOYSA-N 1 1 421.574 2.499 20 0 HEADMO C[C@@H]1C[C@H](NS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CC[N@H+]1C ZINC000769659342 1078496275 /nfs/dbraw/zinc/49/62/75/1078496275.db2.gz HTSGTQBCWQJTQP-YLJYHZDGSA-N 1 1 423.579 2.437 20 0 HEADMO COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cn1 ZINC000769670391 1078510098 /nfs/dbraw/zinc/51/00/98/1078510098.db2.gz ADCNLFBOLTYLBH-UHFFFAOYSA-N 1 1 418.519 2.199 20 0 HEADMO COc1ccccc1COC1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000769713123 1078532227 /nfs/dbraw/zinc/53/22/27/1078532227.db2.gz VRWAKLRKCMUWAZ-ICSRJNTNSA-N 1 1 403.523 2.249 20 0 HEADMO COc1ccccc1COC1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000769713131 1078532337 /nfs/dbraw/zinc/53/23/37/1078532337.db2.gz VRWAKLRKCMUWAZ-UYAOXDASSA-N 1 1 403.523 2.249 20 0 HEADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000745615948 1078568846 /nfs/dbraw/zinc/56/88/46/1078568846.db2.gz HFCOSZVFRNAJSM-KURKYZTESA-N 1 1 424.586 2.432 20 0 HEADMO Cn1c(CO)nn(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1=S ZINC000769836905 1078599335 /nfs/dbraw/zinc/59/93/35/1078599335.db2.gz RSUQATYUJVNCDE-UHFFFAOYSA-N 1 1 401.458 2.237 20 0 HEADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCOCc1ccccc1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001109544669 1078642242 /nfs/dbraw/zinc/64/22/42/1078642242.db2.gz HFZYEPZOTXFKNO-WKOLOUIMSA-N 1 1 414.546 2.366 20 0 HEADMO C[C@@H]1C[N@H+](Cc2ccc(CNS(=O)(=O)c3cn(C)c(Cl)n3)cc2)C[C@H](C)O1 ZINC000769892165 1078645804 /nfs/dbraw/zinc/64/58/04/1078645804.db2.gz HFUMPQYMDRHRMC-OKILXGFUSA-N 1 1 412.943 2.161 20 0 HEADMO Cn1cc([C@H](O)CNC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cn1 ZINC000745794499 1078649804 /nfs/dbraw/zinc/64/98/04/1078649804.db2.gz CQHCHIOCCQVYMA-HXUWFJFHSA-N 1 1 424.505 2.072 20 0 HEADMO C[C@@H](NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1ccc2c(c1)CC(=O)N2C ZINC000745802619 1078652892 /nfs/dbraw/zinc/65/28/92/1078652892.db2.gz SJRGLWPVQWRVEG-APWZRJJASA-N 1 1 400.523 2.163 20 0 HEADMO CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)[NH+]1CCOCC1 ZINC000769961271 1078654298 /nfs/dbraw/zinc/65/42/98/1078654298.db2.gz AJVASLUQJGEZOW-AABGKKOBSA-N 1 1 421.586 2.012 20 0 HEADMO C[C@@H](CNC(=O)NCCc1ccc(Br)cc1F)CN1CC[NH+](C)CC1 ZINC000745810718 1078656881 /nfs/dbraw/zinc/65/68/81/1078656881.db2.gz NDPAMSXTCLUGAK-AWEZNQCLSA-N 1 1 415.351 2.313 20 0 HEADMO CCOC(=O)C1=C(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)NC(=O)N[C@@H]1C ZINC000769927407 1078661337 /nfs/dbraw/zinc/66/13/37/1078661337.db2.gz HNASXVZYLJQLPH-CABCVRRESA-N 1 1 404.486 2.023 20 0 HEADMO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000769929779 1078662908 /nfs/dbraw/zinc/66/29/08/1078662908.db2.gz ZIHKDNNGWHXVAO-RZKQZQCBSA-N 1 1 421.538 2.484 20 0 HEADMO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000769929783 1078663364 /nfs/dbraw/zinc/66/33/64/1078663364.db2.gz ZIHKDNNGWHXVAO-ZHTGWBIJSA-N 1 1 421.538 2.484 20 0 HEADMO CC[N@H+]1C[C@H](C)N(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C[C@H]1C ZINC000770009853 1078666922 /nfs/dbraw/zinc/66/69/22/1078666922.db2.gz KIWHQIAGDCTMMU-UVARLRKDSA-N 1 1 424.904 2.187 20 0 HEADMO CCc1ccc(N2CCN(C(=O)NC[C@@H](C)CN3CC[NH+](CC)CC3)CC2)cc1 ZINC000745863851 1078667364 /nfs/dbraw/zinc/66/73/64/1078667364.db2.gz YLCVSLVMQTVPKX-HXUWFJFHSA-N 1 1 401.599 2.354 20 0 HEADMO COC(=O)[C@@]1(NC(=O)c2cc3c(cc2O)OCO3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000769977406 1078671614 /nfs/dbraw/zinc/67/16/14/1078671614.db2.gz DIGXNDDZHVJZLC-JOCHJYFZSA-N 1 1 412.442 2.059 20 0 HEADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000745861214 1078676508 /nfs/dbraw/zinc/67/65/08/1078676508.db2.gz ANABWEVVXNSVPV-MAUKXSAKSA-N 1 1 416.488 2.312 20 0 HEADMO C[C@@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)CN1CC[NH+](C)CC1 ZINC000745861703 1078676953 /nfs/dbraw/zinc/67/69/53/1078676953.db2.gz DQMNDYIXRLHYBJ-SUMWQHHRSA-N 1 1 403.354 2.210 20 0 HEADMO COCC[NH+]1CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000745882700 1078684708 /nfs/dbraw/zinc/68/47/08/1078684708.db2.gz XTNRVUJTYXEHPW-GOSISDBHSA-N 1 1 406.527 2.226 20 0 HEADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)[C@@H](C)C1 ZINC000770021938 1078691914 /nfs/dbraw/zinc/69/19/14/1078691914.db2.gz YYPXXROKTBBZQC-MUGJNUQGSA-N 1 1 421.586 2.012 20 0 HEADMO CCN(CC1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1)C(=O)OC(C)(C)C ZINC000745945436 1078709136 /nfs/dbraw/zinc/70/91/36/1078709136.db2.gz DZFOKWXBOIDZOL-UHFFFAOYSA-N 1 1 424.464 2.344 20 0 HEADMO CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945692 1078709257 /nfs/dbraw/zinc/70/92/57/1078709257.db2.gz XLCWZEKTRCDPRV-KRWDZBQOSA-N 1 1 418.538 2.245 20 0 HEADMO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945692 1078709263 /nfs/dbraw/zinc/70/92/63/1078709263.db2.gz XLCWZEKTRCDPRV-KRWDZBQOSA-N 1 1 418.538 2.245 20 0 HEADMO C[NH+]1CCN([C@@H](CNC(=O)NC[C@H](O)c2ccc(F)cc2)c2cccs2)CC1 ZINC000770089761 1078715185 /nfs/dbraw/zinc/71/51/85/1078715185.db2.gz GIHCYJBJJMIPGW-ROUUACIJSA-N 1 1 406.527 2.209 20 0 HEADMO Cc1ccc([C@H](O)CNC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000770091541 1078717383 /nfs/dbraw/zinc/71/73/83/1078717383.db2.gz YBCMUQQYHXATIT-RTBURBONSA-N 1 1 402.564 2.378 20 0 HEADMO CC(C)C[C@H]1CC[N@@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 ZINC000745986476 1078719724 /nfs/dbraw/zinc/71/97/24/1078719724.db2.gz IELVGNMOPNAVNQ-XMSQKQJNSA-N 1 1 400.523 2.329 20 0 HEADMO 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O=C(CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000746116713 1078794821 /nfs/dbraw/zinc/79/48/21/1078794821.db2.gz ZMOFEUWEROOCOQ-LJQANCHMSA-N 1 1 407.474 2.378 20 0 HEADMO O=C(CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000746116713 1078794827 /nfs/dbraw/zinc/79/48/27/1078794827.db2.gz ZMOFEUWEROOCOQ-LJQANCHMSA-N 1 1 407.474 2.378 20 0 HEADMO O=C(NCCNS(=O)(=O)Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000746125268 1078798040 /nfs/dbraw/zinc/79/80/40/1078798040.db2.gz PEEWAHLWOWFEFB-NRFANRHFSA-N 1 1 415.559 2.277 20 0 HEADMO O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000746126845 1078799133 /nfs/dbraw/zinc/79/91/33/1078799133.db2.gz QIQOLGSTHRIVNT-QHCPKHFHSA-N 1 1 407.470 2.306 20 0 HEADMO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)C2=O)cc1 ZINC000746196515 1078815769 /nfs/dbraw/zinc/81/57/69/1078815769.db2.gz JVZVPHVFKXSTMF-JPYJTQIMSA-N 1 1 414.550 2.246 20 0 HEADMO 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C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CN1C(=O)OC(C)(C)C ZINC001168857967 1079054432 /nfs/dbraw/zinc/05/44/32/1079054432.db2.gz OTELUOXELIVRMS-DDBAPUKQSA-N 1 1 403.527 2.107 20 0 HEADMO Cc1ccc(N2CCO[C@H]3C[N@H+]([C@@H]4C[C@@H](C)N(C(=O)OC(C)(C)C)C4)C[C@H]32)nn1 ZINC001168858296 1079054814 /nfs/dbraw/zinc/05/48/14/1079054814.db2.gz PUEMRWDAQJHZBI-TVFCKZIOSA-N 1 1 403.527 2.072 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2CCCC23CCN(CC(=O)N(C)C)CC3)CN1C(=O)OC(C)(C)C ZINC001168865416 1079057232 /nfs/dbraw/zinc/05/72/32/1079057232.db2.gz MBQFOYAKSKZGFX-ZWKOTPCHSA-N 1 1 408.587 2.403 20 0 HEADMO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849509 1079061028 /nfs/dbraw/zinc/06/10/28/1079061028.db2.gz KCNBJHKPWJXKQE-RSRPTUBKSA-N 1 1 407.555 2.390 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849508 1079061191 /nfs/dbraw/zinc/06/11/91/1079061191.db2.gz KCNBJHKPWJXKQE-AIHBUXEESA-N 1 1 407.555 2.390 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168850834 1079062090 /nfs/dbraw/zinc/06/20/90/1079062090.db2.gz RIEKFESOSZZVSY-VHPHOLNESA-N 1 1 423.554 2.133 20 0 HEADMO CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000766532136 1079069061 /nfs/dbraw/zinc/06/90/61/1079069061.db2.gz VHPCUVURMSRBNA-HZPDHXFCSA-N 1 1 419.522 2.469 20 0 HEADMO CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000766532136 1079069063 /nfs/dbraw/zinc/06/90/63/1079069063.db2.gz VHPCUVURMSRBNA-HZPDHXFCSA-N 1 1 419.522 2.469 20 0 HEADMO CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000766532138 1079069155 /nfs/dbraw/zinc/06/91/55/1079069155.db2.gz VHPCUVURMSRBNA-JKSUJKDBSA-N 1 1 419.522 2.469 20 0 HEADMO CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000766532138 1079069156 /nfs/dbraw/zinc/06/91/56/1079069156.db2.gz VHPCUVURMSRBNA-JKSUJKDBSA-N 1 1 419.522 2.469 20 0 HEADMO COc1ccc(CNC(=O)CC[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c(OC)c1 ZINC001168903304 1079071290 /nfs/dbraw/zinc/07/12/90/1079071290.db2.gz RARBZJXXWUURHX-CQSZACIVSA-N 1 1 403.445 2.279 20 0 HEADMO COc1ccc(CNC(=O)CC[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c(OC)c1 ZINC001168903304 1079071295 /nfs/dbraw/zinc/07/12/95/1079071295.db2.gz RARBZJXXWUURHX-CQSZACIVSA-N 1 1 403.445 2.279 20 0 HEADMO CCC[C@@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC[N@H+]1CCOC ZINC000766538783 1079073098 /nfs/dbraw/zinc/07/30/98/1079073098.db2.gz YMELVTJCMKLYEH-MRXNPFEDSA-N 1 1 409.914 2.025 20 0 HEADMO CCOC(=O)C1=C(O)CC[N@H+]([C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168941890 1079081380 /nfs/dbraw/zinc/08/13/80/1079081380.db2.gz PMQKJLIRQIMWNV-HKUYNNGSSA-N 1 1 402.491 2.030 20 0 HEADMO CCn1nnc2c1CC[N@H+]([C@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)[C@H]2COC ZINC001168928559 1079087116 /nfs/dbraw/zinc/08/71/16/1079087116.db2.gz DEMSXJJQFPJAMK-PXNSSMCTSA-N 1 1 413.522 2.043 20 0 HEADMO CCn1nnc2c1CC[N@@H+]([C@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)[C@H]2COC ZINC001168928559 1079087125 /nfs/dbraw/zinc/08/71/25/1079087125.db2.gz DEMSXJJQFPJAMK-PXNSSMCTSA-N 1 1 413.522 2.043 20 0 HEADMO C[N@H+]1C[C@@]2(C)CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)C[C@@]2(C)C1 ZINC001168928927 1079087745 /nfs/dbraw/zinc/08/77/45/1079087745.db2.gz DDEDDHLIRGPXEV-OYRHEFFESA-N 1 1 423.554 2.027 20 0 HEADMO COc1ccc(C(=O)CCC(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c(OC)c1OC ZINC001168929714 1079088169 /nfs/dbraw/zinc/08/81/69/1079088169.db2.gz KCERYUPRMDORDG-SZPZYZBQSA-N 1 1 404.507 2.476 20 0 HEADMO COc1ccc(CN2CC[C@@H]([N@H+]3CC[C@@H](Oc4ncc(OC)cn4)C3)CC2=O)cc1 ZINC001168956665 1079090713 /nfs/dbraw/zinc/09/07/13/1079090713.db2.gz WTUMFBSROMKPAP-IEBWSBKVSA-N 1 1 412.490 2.138 20 0 HEADMO Cc1ccc(Br)c2cc(C(=O)N(C)CC(=O)N3CC[NH+](C)CC3)[nH]c21 ZINC001169040785 1079107944 /nfs/dbraw/zinc/10/79/44/1079107944.db2.gz KEZWAOVRUSSUOO-UHFFFAOYSA-N 1 1 407.312 2.085 20 0 HEADMO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000766580937 1079122279 /nfs/dbraw/zinc/12/22/79/1079122279.db2.gz CSJRWCXYOIOIIX-CRAIPNDOSA-N 1 1 402.495 2.161 20 0 HEADMO COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccccc2N(C)S(C)(=O)=O)c2ccccc12 ZINC001169116451 1079140709 /nfs/dbraw/zinc/14/07/09/1079140709.db2.gz NZFHLWOIEPWDDY-NRFANRHFSA-N 1 1 415.515 2.459 20 0 HEADMO COC(=O)[C@](C)([NH3+])Cc1cn(-c2cnc(OC3CCOCC3)cn2)c2ccccc12 ZINC001169116461 1079140786 /nfs/dbraw/zinc/14/07/86/1079140786.db2.gz OCHFIRMRJYXDOP-JOCHJYFZSA-N 1 1 410.474 2.411 20 0 HEADMO COC(=O)[C@](C)([NH3+])Cc1cn(-c2cccc(NS(C)(=O)=O)c2)c2ccccc12 ZINC001169117500 1079141723 /nfs/dbraw/zinc/14/17/23/1079141723.db2.gz UNEKPBGTJVDKQD-HXUWFJFHSA-N 1 1 401.488 2.435 20 0 HEADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000766602156 1079149591 /nfs/dbraw/zinc/14/95/91/1079149591.db2.gz BYCIYHKFGPRZJI-FGZHOGPDSA-N 1 1 424.545 2.274 20 0 HEADMO 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CCOC(=O)CC[N@H+](Cc1cccnc1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001169165413 1079173563 /nfs/dbraw/zinc/17/35/63/1079173563.db2.gz WTNCUUVCSCTOBR-SFHVURJKSA-N 1 1 407.511 2.473 20 0 HEADMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001169190733 1079178895 /nfs/dbraw/zinc/17/88/95/1079178895.db2.gz KBSUYSYZVYPAPN-UONOGXRCSA-N 1 1 415.460 2.062 20 0 HEADMO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001169201894 1079183536 /nfs/dbraw/zinc/18/35/36/1079183536.db2.gz MTDYRZXZFTURFA-KGLIPLIRSA-N 1 1 415.460 2.267 20 0 HEADMO COc1ccc2c(c1)C[N@@H+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169203142 1079184134 /nfs/dbraw/zinc/18/41/34/1079184134.db2.gz SZXGUXUFWCSXFS-HNNXBMFYSA-N 1 1 411.506 2.017 20 0 HEADMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001169203122 1079184155 /nfs/dbraw/zinc/18/41/55/1079184155.db2.gz STQIBCXMYAJCBX-ZWKOTPCHSA-N 1 1 424.549 2.267 20 0 HEADMO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001169203168 1079184773 /nfs/dbraw/zinc/18/47/73/1079184773.db2.gz UAUQBVKPWDBOEA-SJLPKXTDSA-N 1 1 410.522 2.225 20 0 HEADMO COC(=O)C[C@@]1(NC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CCCOC1 ZINC000771145377 1079193131 /nfs/dbraw/zinc/19/31/31/1079193131.db2.gz VBBKQQOFVVHLSA-KKSFZXQISA-N 1 1 405.495 2.314 20 0 HEADMO CC[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771145519 1079193260 /nfs/dbraw/zinc/19/32/60/1079193260.db2.gz OOLQRIGQBWBTLO-RNODOKPDSA-N 1 1 424.904 2.094 20 0 HEADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(SC(F)F)nc2)C[C@@H](C)O1 ZINC000771194325 1079196499 /nfs/dbraw/zinc/19/64/99/1079196499.db2.gz LYILORQZDOZTMU-VXGBXAGGSA-N 1 1 416.494 2.339 20 0 HEADMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](C)CC/C=C/c1cccnc1 ZINC001169212117 1079197550 /nfs/dbraw/zinc/19/75/50/1079197550.db2.gz KKFATDZWQWUVNW-QKIXSCASSA-N 1 1 424.549 2.423 20 0 HEADMO 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PEPIBTXPHWJNPZ-KKUMJFAQSA-N 1 1 408.495 2.133 20 0 HEADMO C[C@@H](C(=O)OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741020928 1076339494 /nfs/dbraw/zinc/33/94/94/1076339494.db2.gz BGLXEWGKPNURHU-OTWHNJEPSA-N 1 1 421.582 2.432 20 0 HEADMO C[C@@H](C(=O)OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741020928 1076339499 /nfs/dbraw/zinc/33/94/99/1076339499.db2.gz BGLXEWGKPNURHU-OTWHNJEPSA-N 1 1 421.582 2.432 20 0 HEADMO C[C@@H](C(=O)OCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741022502 1076339845 /nfs/dbraw/zinc/33/98/45/1076339845.db2.gz JKIBFUIXDRWDTP-XQQFMLRXSA-N 1 1 418.462 2.426 20 0 HEADMO C[C@@H](C(=O)OCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741022502 1076339851 /nfs/dbraw/zinc/33/98/51/1076339851.db2.gz JKIBFUIXDRWDTP-XQQFMLRXSA-N 1 1 418.462 2.426 20 0 HEADMO COc1cc(OC)c(CNC(=O)COC(=O)[C@H](C)[NH+]2CCCCCC2)c(OC)c1 ZINC000741029021 1076344370 /nfs/dbraw/zinc/34/43/70/1076344370.db2.gz LHCHSYMFHZRULB-HNNXBMFYSA-N 1 1 408.495 2.136 20 0 HEADMO C[N@@H+](CCCO)C1CCN(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741086649 1076349754 /nfs/dbraw/zinc/34/97/54/1076349754.db2.gz JQBRTPWNBRGIJF-KRWDZBQOSA-N 1 1 412.575 2.122 20 0 HEADMO C[NH+]1CCN([C@H](CNC(=O)NC[C@@](C)(O)c2ccsc2)c2cccs2)CC1 ZINC000741075422 1076354622 /nfs/dbraw/zinc/35/46/22/1076354622.db2.gz YQCMCBJAUSPPTH-VQIMIIECSA-N 1 1 408.593 2.305 20 0 HEADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000741076530 1076355304 /nfs/dbraw/zinc/35/53/04/1076355304.db2.gz SEZVZDACVAJKDS-KZNAEPCWSA-N 1 1 412.575 2.288 20 0 HEADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000741096956 1076367791 /nfs/dbraw/zinc/36/77/91/1076367791.db2.gz JSPFYMPNGMZANH-KDOFPFPSSA-N 1 1 416.522 2.332 20 0 HEADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000741096956 1076367793 /nfs/dbraw/zinc/36/77/93/1076367793.db2.gz 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COc1ccc(C=O)c(OCC(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741232783 1076426787 /nfs/dbraw/zinc/42/67/87/1076426787.db2.gz JURQLKPORIPWOG-JTSKRJEESA-N 1 1 412.486 2.292 20 0 HEADMO COc1ccc(C=O)c(OCC(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741232783 1076426788 /nfs/dbraw/zinc/42/67/88/1076426788.db2.gz JURQLKPORIPWOG-JTSKRJEESA-N 1 1 412.486 2.292 20 0 HEADMO Cc1ccc([C@@H](O)CNC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)o1 ZINC000741272394 1076439633 /nfs/dbraw/zinc/43/96/33/1076439633.db2.gz ZCSRRHHLDIPVNH-PMACEKPBSA-N 1 1 400.523 2.299 20 0 HEADMO Cc1ccc([C@@H](O)CNC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000741272394 1076439636 /nfs/dbraw/zinc/43/96/36/1076439636.db2.gz ZCSRRHHLDIPVNH-PMACEKPBSA-N 1 1 400.523 2.299 20 0 HEADMO Cc1ccc([C@@H](O)CNC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)o1 ZINC000741272394 1076439637 /nfs/dbraw/zinc/43/96/37/1076439637.db2.gz ZCSRRHHLDIPVNH-PMACEKPBSA-N 1 1 400.523 2.299 20 0 HEADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@@H](C)O1 ZINC000741276189 1076441489 /nfs/dbraw/zinc/44/14/89/1076441489.db2.gz RPVLEWRSEZCWHT-BFYDXBDKSA-N 1 1 412.575 2.477 20 0 HEADMO C[C@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741279246 1076443812 /nfs/dbraw/zinc/44/38/12/1076443812.db2.gz GTYHRONDCPHVPL-DQLDELGASA-N 1 1 401.482 2.448 20 0 HEADMO C[C@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741279246 1076443815 /nfs/dbraw/zinc/44/38/15/1076443815.db2.gz GTYHRONDCPHVPL-DQLDELGASA-N 1 1 401.482 2.448 20 0 HEADMO CCOC(=O)N1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000741283060 1076454038 /nfs/dbraw/zinc/45/40/38/1076454038.db2.gz QYCRYHGAFUHOGE-YLJYHZDGSA-N 1 1 418.538 2.196 20 0 HEADMO CCOC(=O)N1CCC(NC(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000741283060 1076454042 /nfs/dbraw/zinc/45/40/42/1076454042.db2.gz QYCRYHGAFUHOGE-YLJYHZDGSA-N 1 1 418.538 2.196 20 0 HEADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000741288952 1076457785 /nfs/dbraw/zinc/45/77/85/1076457785.db2.gz JKJDLTPLTUHSPV-ADXZGYQBSA-N 1 1 421.607 2.076 20 0 HEADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000741288954 1076457897 /nfs/dbraw/zinc/45/78/97/1076457897.db2.gz JKJDLTPLTUHSPV-SONOPUAISA-N 1 1 421.607 2.076 20 0 HEADMO CCC[N@@H+](CC)Cc1ccc(C(=O)O[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000741338810 1076471547 /nfs/dbraw/zinc/47/15/47/1076471547.db2.gz SPRARPATMFTVGC-APWZRJJASA-N 1 1 403.523 2.188 20 0 HEADMO CC(C)[C@@H](OC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(=O)N1CCOCC1 ZINC000741326367 1076477454 /nfs/dbraw/zinc/47/74/54/1076477454.db2.gz DFOBYCXISVEFQX-UYAOXDASSA-N 1 1 406.498 2.464 20 0 HEADMO Nc1ncnc2c1ncn2CCCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741331135 1076478707 /nfs/dbraw/zinc/47/87/07/1076478707.db2.gz SVELJSVGKJVFBR-MRXNPFEDSA-N 1 1 412.469 2.393 20 0 HEADMO CCOC(=O)C1=C(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)NC(=O)N[C@@H]1C ZINC000741352864 1076492523 /nfs/dbraw/zinc/49/25/23/1076492523.db2.gz NCXOIWJYSFUCQC-CRAIPNDOSA-N 1 1 415.490 2.103 20 0 HEADMO CCOC(=O)C1=C(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)NC(=O)N[C@@H]1C ZINC000741352864 1076492525 /nfs/dbraw/zinc/49/25/25/1076492525.db2.gz NCXOIWJYSFUCQC-CRAIPNDOSA-N 1 1 415.490 2.103 20 0 HEADMO C[C@H](NC(=O)NCc1ccnc(-n2ccnc2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741410939 1076513769 /nfs/dbraw/zinc/51/37/69/1076513769.db2.gz VHVLYMIXMHISMX-RXVVDRJESA-N 1 1 420.517 2.356 20 0 HEADMO C[C@H](NC(=O)NCc1ccnc(-n2ccnc2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741410939 1076513773 /nfs/dbraw/zinc/51/37/73/1076513773.db2.gz VHVLYMIXMHISMX-RXVVDRJESA-N 1 1 420.517 2.356 20 0 HEADMO CC(C)[C@H](CNC(=O)NC[C@H](O)c1c(F)cccc1Cl)N1CC[NH+](C)CC1 ZINC000741412850 1076514270 /nfs/dbraw/zinc/51/42/70/1076514270.db2.gz VDSCNKJCGDEZQQ-IRXDYDNUSA-N 1 1 400.926 2.084 20 0 HEADMO C[C@H](NC(=O)N1CCCC[C@@H]1C1OCCO1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741430759 1076523006 /nfs/dbraw/zinc/52/30/06/1076523006.db2.gz DRVNTRFQZYNREI-SXLOBPIMSA-N 1 1 403.523 2.213 20 0 HEADMO C[C@H](NC(=O)N1CCCC[C@@H]1C1OCCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741430759 1076523009 /nfs/dbraw/zinc/52/30/09/1076523009.db2.gz DRVNTRFQZYNREI-SXLOBPIMSA-N 1 1 403.523 2.213 20 0 HEADMO C[C@H](NC(=O)N1CCC(C2OCCO2)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741433423 1076526029 /nfs/dbraw/zinc/52/60/29/1076526029.db2.gz MYKBNZLNZYJJQL-PXNSSMCTSA-N 1 1 403.523 2.070 20 0 HEADMO C[C@H](NC(=O)N1CCC(C2OCCO2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741433423 1076526033 /nfs/dbraw/zinc/52/60/33/1076526033.db2.gz MYKBNZLNZYJJQL-PXNSSMCTSA-N 1 1 403.523 2.070 20 0 HEADMO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741438301 1076528981 /nfs/dbraw/zinc/52/89/81/1076528981.db2.gz LZCUFCULLCWJTA-WMLDXEAASA-N 1 1 402.882 2.079 20 0 HEADMO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741438301 1076528989 /nfs/dbraw/zinc/52/89/89/1076528989.db2.gz LZCUFCULLCWJTA-WMLDXEAASA-N 1 1 402.882 2.079 20 0 HEADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCC[S@@](=O)Cc2ccccc2)CC1 ZINC000741420292 1076533349 /nfs/dbraw/zinc/53/33/49/1076533349.db2.gz NJTUENWFWYXDSY-WAPJKPAKSA-N 1 1 420.623 2.135 20 0 HEADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC[N@H+]1C ZINC000741587395 1076546439 /nfs/dbraw/zinc/54/64/39/1076546439.db2.gz FPTGCLMKESDHEV-WBVHZDCISA-N 1 1 420.558 2.405 20 0 HEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)[C@@H](C)C1 ZINC000741591679 1076548510 /nfs/dbraw/zinc/54/85/10/1076548510.db2.gz URXAMNLJWKJSJX-OXJNMPFZSA-N 1 1 415.538 2.403 20 0 HEADMO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000741578133 1076551140 /nfs/dbraw/zinc/55/11/40/1076551140.db2.gz FJYNVRYVJNXDSG-XHDPSFHLSA-N 1 1 403.342 2.265 20 0 HEADMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000741578133 1076551155 /nfs/dbraw/zinc/55/11/55/1076551155.db2.gz FJYNVRYVJNXDSG-XHDPSFHLSA-N 1 1 403.342 2.265 20 0 HEADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000741577519 1076551934 /nfs/dbraw/zinc/55/19/34/1076551934.db2.gz BKFNOGODFWLKBZ-CRAIPNDOSA-N 1 1 420.558 2.262 20 0 HEADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000741583464 1076553921 /nfs/dbraw/zinc/55/39/21/1076553921.db2.gz FLOHVEAFTKRIGL-AAORUROXSA-N 1 1 422.529 2.405 20 0 HEADMO Cn1ncc2c1nc(CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[nH]c2=O ZINC000741604421 1076562659 /nfs/dbraw/zinc/56/26/59/1076562659.db2.gz DABXJNNZCUWNAS-ACJLOTCBSA-N 1 1 414.535 2.262 20 0 HEADMO COC(=O)N(C)CCCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000741611629 1076565648 /nfs/dbraw/zinc/56/56/48/1076565648.db2.gz NAWGBTZBLDDETM-GOSISDBHSA-N 1 1 404.511 2.270 20 0 HEADMO C[NH+]1CCC(N2CCC(NC(=O)c3cc(N4CCOC4=O)ccc3F)CC2)CC1 ZINC000741681871 1076584523 /nfs/dbraw/zinc/58/45/23/1076584523.db2.gz HWUKUKKAYOZSCE-UHFFFAOYSA-N 1 1 404.486 2.071 20 0 HEADMO Cc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000741720824 1076593676 /nfs/dbraw/zinc/59/36/76/1076593676.db2.gz CDYFYFBGYMQTTD-ZBFHGGJFSA-N 1 1 420.558 2.371 20 0 HEADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000741711357 1076601132 /nfs/dbraw/zinc/60/11/32/1076601132.db2.gz KQDNTAKXVFHKIS-SUMWQHHRSA-N 1 1 411.524 2.348 20 0 HEADMO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000741776882 1076623886 /nfs/dbraw/zinc/62/38/86/1076623886.db2.gz AQZBXBMJIZUBPT-SJORKVTESA-N 1 1 411.543 2.119 20 0 HEADMO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000741776882 1076623887 /nfs/dbraw/zinc/62/38/87/1076623887.db2.gz AQZBXBMJIZUBPT-SJORKVTESA-N 1 1 411.543 2.119 20 0 HEADMO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000741788487 1076627363 /nfs/dbraw/zinc/62/73/63/1076627363.db2.gz UWOUYWOLSFJBCJ-KRWDZBQOSA-N 1 1 400.523 2.098 20 0 HEADMO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000741788487 1076627377 /nfs/dbraw/zinc/62/73/77/1076627377.db2.gz UWOUYWOLSFJBCJ-KRWDZBQOSA-N 1 1 400.523 2.098 20 0 HEADMO CCOC(=O)C1C(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000741790958 1076629383 /nfs/dbraw/zinc/62/93/83/1076629383.db2.gz ONDXYORRUNBBGJ-WRWLIDTKSA-N 1 1 400.523 2.272 20 0 HEADMO CCOC(=O)C1=C(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000741790958 1076629395 /nfs/dbraw/zinc/62/93/95/1076629395.db2.gz ONDXYORRUNBBGJ-WRWLIDTKSA-N 1 1 400.523 2.272 20 0 HEADMO CCOC(=O)C1=C(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000741790958 1076629405 /nfs/dbraw/zinc/62/94/05/1076629405.db2.gz ONDXYORRUNBBGJ-WRWLIDTKSA-N 1 1 400.523 2.272 20 0 HEADMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)NC(=O)N[C@@H]1C ZINC000741797918 1076640433 /nfs/dbraw/zinc/64/04/33/1076640433.db2.gz BVFHGBFGXXAPKH-WBVHZDCISA-N 1 1 401.507 2.468 20 0 HEADMO CCOC(=O)C1=C(C[N@@H+]2CCCC3(CCOCC3)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000741802737 1076643036 /nfs/dbraw/zinc/64/30/36/1076643036.db2.gz QPSXMKBJAPMAGQ-GOSISDBHSA-N 1 1 403.479 2.343 20 0 HEADMO CCOC(=O)C1=C(C[N@H+]2CCCC3(CCOCC3)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000741802737 1076643041 /nfs/dbraw/zinc/64/30/41/1076643041.db2.gz QPSXMKBJAPMAGQ-GOSISDBHSA-N 1 1 403.479 2.343 20 0 HEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)[C@@H](C)C1 ZINC000741954041 1076693648 /nfs/dbraw/zinc/69/36/48/1076693648.db2.gz BPBRVCNBSBSMFB-FUHWJXTLSA-N 1 1 420.579 2.036 20 0 HEADMO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000742012446 1076707105 /nfs/dbraw/zinc/70/71/05/1076707105.db2.gz VDZFRDADHOKATH-JSAJWXMXSA-N 1 1 422.639 2.311 20 0 HEADMO C[NH+]1CCC(CNC(=O)c2cccc(N3CCOC3=O)c2)(N2CCCCC2)CC1 ZINC000742012641 1076707139 /nfs/dbraw/zinc/70/71/39/1076707139.db2.gz ZLARHVAAOBTJIQ-UHFFFAOYSA-N 1 1 400.523 2.323 20 0 HEADMO C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000742087046 1076741539 /nfs/dbraw/zinc/74/15/39/1076741539.db2.gz WEGQMTPNTFXGAV-UYAOXDASSA-N 1 1 416.566 2.443 20 0 HEADMO O=C(c1nc(NCc2ccco2)ncc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742107053 1076744195 /nfs/dbraw/zinc/74/41/95/1076744195.db2.gz FCSLLKBUIONIOL-CQSZACIVSA-N 1 1 405.886 2.129 20 0 HEADMO CC(C)N1C(=O)c2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc2S1(=O)=O ZINC000742136955 1076751635 /nfs/dbraw/zinc/75/16/35/1076751635.db2.gz JKMCMNMJALSKPU-INIZCTEOSA-N 1 1 407.536 2.186 20 0 HEADMO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)CC[C@H]3CCCC[N@H+]3C)C2=O)cc1 ZINC000742136162 1076752145 /nfs/dbraw/zinc/75/21/45/1076752145.db2.gz QNSDKCMTBLNNSP-GCJKJVERSA-N 1 1 400.523 2.095 20 0 HEADMO CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@H](c3ccco3)C1)C2=O ZINC000742148262 1076765573 /nfs/dbraw/zinc/76/55/73/1076765573.db2.gz WUCACPRQQFFEHD-OAHLLOKOSA-N 1 1 418.494 2.348 20 0 HEADMO CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@H](c3ccco3)C1)C2=O ZINC000742148262 1076765581 /nfs/dbraw/zinc/76/55/81/1076765581.db2.gz WUCACPRQQFFEHD-OAHLLOKOSA-N 1 1 418.494 2.348 20 0 HEADMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742195507 1076784157 /nfs/dbraw/zinc/78/41/57/1076784157.db2.gz PMFQOEJDHRZYAP-INIZCTEOSA-N 1 1 409.552 2.036 20 0 HEADMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742195507 1076784161 /nfs/dbraw/zinc/78/41/61/1076784161.db2.gz PMFQOEJDHRZYAP-INIZCTEOSA-N 1 1 409.552 2.036 20 0 HEADMO COc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1S(=O)(=O)N1CCCCCC1 ZINC000742200478 1076787523 /nfs/dbraw/zinc/78/75/23/1076787523.db2.gz YDLIUMWSEOUWCB-MRXNPFEDSA-N 1 1 409.552 2.036 20 0 HEADMO COc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1S(=O)(=O)N1CCCCCC1 ZINC000742200478 1076787524 /nfs/dbraw/zinc/78/75/24/1076787524.db2.gz YDLIUMWSEOUWCB-MRXNPFEDSA-N 1 1 409.552 2.036 20 0 HEADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)[C@H](O)c2ccccc2)ccc1F ZINC000742245314 1076805189 /nfs/dbraw/zinc/80/51/89/1076805189.db2.gz IFZDDIREZGVICM-HXUWFJFHSA-N 1 1 401.438 2.159 20 0 HEADMO Cc1ccc([C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000742263993 1076810833 /nfs/dbraw/zinc/81/08/33/1076810833.db2.gz LXZFKCXDCUWJCQ-VGSWGCGISA-N 1 1 416.543 2.325 20 0 HEADMO CC(C)(C)OC(=O)NC(C)(C)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000742302862 1076812280 /nfs/dbraw/zinc/81/22/80/1076812280.db2.gz WKMMEPXIEYCKAA-UHFFFAOYSA-N 1 1 408.518 2.367 20 0 HEADMO COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000742304866 1076812885 /nfs/dbraw/zinc/81/28/85/1076812885.db2.gz IKPIQRSHYORVPT-SMDDNHRTSA-N 1 1 419.341 2.196 20 0 HEADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000742304384 1076813105 /nfs/dbraw/zinc/81/31/05/1076813105.db2.gz FPVYDQCJTAXERA-PXNSSMCTSA-N 1 1 423.579 2.389 20 0 HEADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Br ZINC000742305173 1076813353 /nfs/dbraw/zinc/81/33/53/1076813353.db2.gz PDFKPHAWQGUGKV-NHYWBVRUSA-N 1 1 419.341 2.196 20 0 HEADMO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000742308497 1076814407 /nfs/dbraw/zinc/81/44/07/1076814407.db2.gz IYQOZLLGYGOCGX-YPMHNXCESA-N 1 1 419.341 2.387 20 0 HEADMO CCOC(=O)N1CCC(S(=O)(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000742282252 1076815446 /nfs/dbraw/zinc/81/54/46/1076815446.db2.gz COTFJGWQPUXLHP-FUHWJXTLSA-N 1 1 409.552 2.362 20 0 HEADMO COc1ccccc1-n1cc(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2C)cn1 ZINC000742297951 1076821874 /nfs/dbraw/zinc/82/18/74/1076821874.db2.gz DBLPOIIRLJSMLU-UHFFFAOYSA-N 1 1 424.486 2.249 20 0 HEADMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cn1 ZINC000742324689 1076824259 /nfs/dbraw/zinc/82/42/59/1076824259.db2.gz IJTUVDKZNINONF-VKJFTORMSA-N 1 1 400.508 2.240 20 0 HEADMO CCOC(=O)N1CCC(S(=O)(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000742334138 1076825305 /nfs/dbraw/zinc/82/53/05/1076825305.db2.gz HNOWGGQHYAXKMS-SFHVURJKSA-N 1 1 409.552 2.143 20 0 HEADMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742345916 1076831867 /nfs/dbraw/zinc/83/18/67/1076831867.db2.gz BEXNIQAGTFSHSP-WOJBJXKFSA-N 1 1 423.579 2.391 20 0 HEADMO COc1cc(C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc(NC(C)=O)c1OC ZINC000742574149 1076852714 /nfs/dbraw/zinc/85/27/14/1076852714.db2.gz PAWZXZCKYJGGEC-UHFFFAOYSA-N 1 1 409.446 2.481 20 0 HEADMO CC(C)=CC(=O)NCc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000742671049 1076863226 /nfs/dbraw/zinc/86/32/26/1076863226.db2.gz QZSWZYDIMTURAB-UHFFFAOYSA-N 1 1 400.567 2.367 20 0 HEADMO CC(C)=CC(=O)NCc1ccc(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000742671049 1076863230 /nfs/dbraw/zinc/86/32/30/1076863230.db2.gz QZSWZYDIMTURAB-UHFFFAOYSA-N 1 1 400.567 2.367 20 0 HEADMO Cc1nn(C)c2nc(Cl)c(C[NH2+]Cc3ccc(S(=O)(=O)N(C)C)cc3)cc12 ZINC000742685661 1076866580 /nfs/dbraw/zinc/86/65/80/1076866580.db2.gz PCBSVGKXZICLMM-UHFFFAOYSA-N 1 1 407.927 2.470 20 0 HEADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCCNC(=O)OC(C)(C)C)c2)CCO1 ZINC000742751724 1076877033 /nfs/dbraw/zinc/87/70/33/1076877033.db2.gz UMMRJSRDUSFTKH-MRXNPFEDSA-N 1 1 406.527 2.231 20 0 HEADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCCNC(=O)OC(C)(C)C)c2)CCO1 ZINC000742751724 1076877035 /nfs/dbraw/zinc/87/70/35/1076877035.db2.gz UMMRJSRDUSFTKH-MRXNPFEDSA-N 1 1 406.527 2.231 20 0 HEADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000742829960 1076887175 /nfs/dbraw/zinc/88/71/75/1076887175.db2.gz FWRFFZAUMSTLIS-UHFFFAOYSA-N 1 1 401.536 2.329 20 0 HEADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)C1 ZINC000742880667 1076888360 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C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168854577 1079053525 /nfs/dbraw/zinc/05/35/25/1079053525.db2.gz HKOHFDUZWYWWPM-QTUASDBPSA-N 1 1 407.555 2.390 20 0 HEADMO C[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CN1C(=O)OC(C)(C)C ZINC001168857972 1079054363 /nfs/dbraw/zinc/05/43/63/1079054363.db2.gz OTELUOXELIVRMS-OWLYRPNTSA-N 1 1 403.527 2.107 20 0 HEADMO C[C@@H]1C[C@H]([N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)CN1C(=O)OC(C)(C)C ZINC001168861133 1079055995 /nfs/dbraw/zinc/05/59/95/1079055995.db2.gz WTGVLUZJINNDIO-VINWQNLFSA-N 1 1 407.555 2.390 20 0 HEADMO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168865418 1079057273 /nfs/dbraw/zinc/05/72/73/1079057273.db2.gz MFAQONZPZXHCAP-WHSLLNHNSA-N 1 1 401.511 2.303 20 0 HEADMO C[C@H]1C[C@H]([N@H+]2CCc3ncnc(N4CCOCC4)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168850590 1079061739 /nfs/dbraw/zinc/06/17/39/1079061739.db2.gz QPOKYIUSBIEFIB-IRXDYDNUSA-N 1 1 417.554 2.112 20 0 HEADMO C[C@@H]1C[C@H]([NH+]2CC(N3CCN(c4ccccn4)CC3)C2)CN1C(=O)OC(C)(C)C ZINC001168874222 1079065379 /nfs/dbraw/zinc/06/53/79/1079065379.db2.gz WGDLJSDDERKRKU-MSOLQXFVSA-N 1 1 401.555 2.286 20 0 HEADMO COc1ccc(CN2CC[C@@H]([N@@H+]3C[C@H]4CN(C(=O)c5ccco5)C[C@H]4C3)CC2=O)cc1 ZINC001168937524 1079079359 /nfs/dbraw/zinc/07/93/59/1079079359.db2.gz ZGGBRIZWPNMALR-HSALFYBXSA-N 1 1 423.513 2.483 20 0 HEADMO CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000766532126 1079069099 /nfs/dbraw/zinc/06/90/99/1079069099.db2.gz VHPCUVURMSRBNA-CVEARBPZSA-N 1 1 419.522 2.469 20 0 HEADMO CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000766532126 1079069102 /nfs/dbraw/zinc/06/91/02/1079069102.db2.gz VHPCUVURMSRBNA-CVEARBPZSA-N 1 1 419.522 2.469 20 0 HEADMO CC[NH+]1CCN(C(=O)c2cc(Cl)ccc2OS(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000785485408 1079075475 /nfs/dbraw/zinc/07/54/75/1079075475.db2.gz BBUOKKRKDCPSSM-CXAGYDPISA-N 1 1 416.927 2.004 20 0 HEADMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@@H+]3CC[C@@H](c4nccn4C)C3)nc2c1 ZINC001168933549 1079078517 /nfs/dbraw/zinc/07/85/17/1079078517.db2.gz OTOVLGFSCBKJAG-OAHLLOKOSA-N 1 1 416.551 2.316 20 0 HEADMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@H+]3CC[C@@H](c4nccn4C)C3)nc2c1 ZINC001168933549 1079078522 /nfs/dbraw/zinc/07/85/22/1079078522.db2.gz OTOVLGFSCBKJAG-OAHLLOKOSA-N 1 1 416.551 2.316 20 0 HEADMO CCN(C)C(=O)CO[C@@H]1CCC[N@H+]([C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)C1 ZINC001168958022 1079091703 /nfs/dbraw/zinc/09/17/03/1079091703.db2.gz KYCHDYZWRNXHGG-PZJWPPBQSA-N 1 1 417.550 2.146 20 0 HEADMO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C(=O)c4ccccn4)CC3)CC2=O)cc1 ZINC001168959585 1079092180 /nfs/dbraw/zinc/09/21/80/1079092180.db2.gz WZNJWNZZUBTHGT-LJQANCHMSA-N 1 1 408.502 2.039 20 0 HEADMO COc1ccc(CN2CC[C@@H]([N@H+]3CC[C@@]4(CCN4c4ncccn4)C3)CC2=O)cc1 ZINC001168929530 1079088065 /nfs/dbraw/zinc/08/80/65/1079088065.db2.gz JDXALNXJFJVKSS-AUSIDOKSSA-N 1 1 407.518 2.331 20 0 HEADMO CCOCCCN1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@H](C)C1 ZINC000766561991 1079096023 /nfs/dbraw/zinc/09/60/23/1079096023.db2.gz GNKHHISRKPQQTP-HOCLYGCPSA-N 1 1 415.522 2.027 20 0 HEADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1c(Cl)cc(F)cc1Br ZINC001169040543 1079107955 /nfs/dbraw/zinc/10/79/55/1079107955.db2.gz DXKHXJJSCSSDJJ-UHFFFAOYSA-N 1 1 406.683 2.088 20 0 HEADMO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2)C[C@@H](C)O1 ZINC000766584202 1079134159 /nfs/dbraw/zinc/13/41/59/1079134159.db2.gz SGDMLZGRQRJHBV-DCXXXQMHSA-N 1 1 414.550 2.181 20 0 HEADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCSCC4)cc3)CC[C@@H]21 ZINC000766586084 1079135660 /nfs/dbraw/zinc/13/56/60/1079135660.db2.gz SQYSPHIJZWKVNX-APWZRJJASA-N 1 1 402.564 2.121 20 0 HEADMO COC(=O)[C@](C)([NH3+])Cc1cn(-c2cc(-c3nn[nH]n3)ccc2OC)c2ccccc12 ZINC001169117278 1079141753 /nfs/dbraw/zinc/14/17/53/1079141753.db2.gz UBLISZMQUUHMGO-OAQYLSRUSA-N 1 1 406.446 2.252 20 0 HEADMO CCC[C@H]1CN(C(=O)C(=O)Nc2ccnn2C2CCCCC2)CC[N@@H+]1CCOC ZINC000766595952 1079142141 /nfs/dbraw/zinc/14/21/41/1079142141.db2.gz RWKZSYPFGKSJIM-SFHVURJKSA-N 1 1 405.543 2.286 20 0 HEADMO CCC[C@H]1CN(C(=O)C(=O)Nc2ccnn2C2CCCCC2)CC[N@H+]1CCOC ZINC000766595952 1079142148 /nfs/dbraw/zinc/14/21/48/1079142148.db2.gz RWKZSYPFGKSJIM-SFHVURJKSA-N 1 1 405.543 2.286 20 0 HEADMO COc1cccnc1C[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170021372 1079143401 /nfs/dbraw/zinc/14/34/01/1079143401.db2.gz CRYFGLZFKCFCJI-ZBFHGGJFSA-N 1 1 422.551 2.091 20 0 HEADMO CN1CC2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)COc2ccccc2S1(=O)=O ZINC001169129914 1079150614 /nfs/dbraw/zinc/15/06/14/1079150614.db2.gz LUJHDXLQOKTMKY-REPLKXPHSA-N 1 1 419.591 2.407 20 0 HEADMO CN1CC2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)COc2ccccc2S1(=O)=O ZINC001169129914 1079150619 /nfs/dbraw/zinc/15/06/19/1079150619.db2.gz LUJHDXLQOKTMKY-REPLKXPHSA-N 1 1 419.591 2.407 20 0 HEADMO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)COc1ccccc1S(=O)(=O)N(C)C3)C2 ZINC001169129914 1079150622 /nfs/dbraw/zinc/15/06/22/1079150622.db2.gz LUJHDXLQOKTMKY-REPLKXPHSA-N 1 1 419.591 2.407 20 0 HEADMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C1)C2 ZINC001169131800 1079151299 /nfs/dbraw/zinc/15/12/99/1079151299.db2.gz ZNAIYMUKFZMYNJ-BCDXTJNWSA-N 1 1 416.570 2.445 20 0 HEADMO Cn1cc(-c2cnc3n2CCN(C)C32CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)cn1 ZINC001169133347 1079152062 /nfs/dbraw/zinc/15/20/62/1079152062.db2.gz DQNNWGMKMNQHNH-PMOLBWCYSA-N 1 1 409.582 2.145 20 0 HEADMO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3OC[C@@H](C(=O)NCCc4ccccn4)C[C@H]3C1)C2 ZINC001169135518 1079152687 /nfs/dbraw/zinc/15/26/87/1079152687.db2.gz YWPCQZZAACBQPJ-DPVJEZKXSA-N 1 1 412.578 2.093 20 0 HEADMO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3OC[C@@H](C(=O)NCCc4ccccn4)C[C@H]3C1)C2 ZINC001169135518 1079152692 /nfs/dbraw/zinc/15/26/92/1079152692.db2.gz YWPCQZZAACBQPJ-DPVJEZKXSA-N 1 1 412.578 2.093 20 0 HEADMO COC(=O)c1c(Cl)ncnc1-n1cc(C[C@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169106573 1079156689 /nfs/dbraw/zinc/15/66/89/1079156689.db2.gz XYTIQTYKFBFHEU-IBGZPJMESA-N 1 1 402.838 2.293 20 0 HEADMO C[NH+]1CCN(c2ncc(N[C@@H](Cc3ccc(O)cc3)C(=O)OC(C)(C)C)cn2)CC1 ZINC001169106915 1079157225 /nfs/dbraw/zinc/15/72/25/1079157225.db2.gz SERUYOGTIGMKHB-IBGZPJMESA-N 1 1 413.522 2.299 20 0 HEADMO COC(=O)c1cc(Cl)nnc1-n1cc(C[C@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169106761 1079157285 /nfs/dbraw/zinc/15/72/85/1079157285.db2.gz ZSWBKWZWXAQCDW-IBGZPJMESA-N 1 1 402.838 2.293 20 0 HEADMO COC(=O)[C@](C)([NH3+])Cc1cn(-c2nc(Cl)cc(C(=O)N(C)C)n2)c2ccccc12 ZINC001169115173 1079162059 /nfs/dbraw/zinc/16/20/59/1079162059.db2.gz NWJICJAVNSDVJM-HXUWFJFHSA-N 1 1 415.881 2.209 20 0 HEADMO COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccc(Br)c[n+]2[O-])c2ccccc12 ZINC001169115892 1079162666 /nfs/dbraw/zinc/16/26/66/1079162666.db2.gz VBAIJKNJRNAIGN-GOSISDBHSA-N 1 1 404.264 2.459 20 0 HEADMO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)C2)c1 ZINC001169149869 1079166741 /nfs/dbraw/zinc/16/67/41/1079166741.db2.gz OXIMTKKHUABEGK-PMACEKPBSA-N 1 1 416.566 2.237 20 0 HEADMO CC[C@H](C)[C@H](Nc1nc(C[N@H+]2CC[C@H](CO)C2)ccc1NC(=O)C(C)(C)C)C(N)=O ZINC001169150480 1079166769 /nfs/dbraw/zinc/16/67/69/1079166769.db2.gz WSNMUHBYLVDJHA-MPGHIAIKSA-N 1 1 419.570 2.192 20 0 HEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771153984 1079167003 /nfs/dbraw/zinc/16/70/03/1079167003.db2.gz OAEHHXSFZLITKV-HXPMCKFVSA-N 1 1 412.893 2.093 20 0 HEADMO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001169191995 1079180379 /nfs/dbraw/zinc/18/03/79/1079180379.db2.gz OPNGJKOASSWLJY-SJLPKXTDSA-N 1 1 410.522 2.225 20 0 HEADMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001169194049 1079181745 /nfs/dbraw/zinc/18/17/45/1079181745.db2.gz YDDYBTHLMQKCMA-UONOGXRCSA-N 1 1 415.460 2.062 20 0 HEADMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001169203120 1079184348 /nfs/dbraw/zinc/18/43/48/1079184348.db2.gz STQIBCXMYAJCBX-ROUUACIJSA-N 1 1 424.549 2.267 20 0 HEADMO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](C)CCc1cccs1 ZINC001169203534 1079184919 /nfs/dbraw/zinc/18/49/19/1079184919.db2.gz VNWPYGQXGILKJH-OAHLLOKOSA-N 1 1 403.552 2.229 20 0 HEADMO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000771140741 1079189241 /nfs/dbraw/zinc/18/92/41/1079189241.db2.gz TWDFGAWFVXJBKA-GOSISDBHSA-N 1 1 405.543 2.013 20 0 HEADMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCc2ccc(F)cc2C1 ZINC001169209253 1079196624 /nfs/dbraw/zinc/19/66/24/1079196624.db2.gz TWQZSZAZBAYSHN-HNNXBMFYSA-N 1 1 413.497 2.190 20 0 HEADMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001169213742 1079197095 /nfs/dbraw/zinc/19/70/95/1079197095.db2.gz SMFSLUOEXAFADJ-IRXDYDNUSA-N 1 1 409.534 2.439 20 0 HEADMO 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Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2cn(CCC(C)C)nn2)CC1 ZINC000740989857 1076320219 /nfs/dbraw/zinc/32/02/19/1076320219.db2.gz NXQORSXSOMRHEG-UHFFFAOYSA-N 1 1 413.522 2.134 20 0 HEADMO CC(C)[C@H](C(=O)OCC(=O)N(CCC(N)=O)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000741011624 1076327701 /nfs/dbraw/zinc/32/77/01/1076327701.db2.gz VQQBDYGFNXPXTI-HXUWFJFHSA-N 1 1 407.486 2.088 20 0 HEADMO CC(C)[C@H](C(=O)OCC(=O)N1CCN(Cc2ccsc2)CC1)[NH+]1CCCCC1 ZINC000741013089 1076328974 /nfs/dbraw/zinc/32/89/74/1076328974.db2.gz YCJYGXKDNGPVBT-HXUWFJFHSA-N 1 1 407.580 2.446 20 0 HEADMO CC(C)[C@@H](C(=O)OCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)[NH+]1CCCC1 ZINC000741013421 1076329099 /nfs/dbraw/zinc/32/90/99/1076329099.db2.gz KCEOWCDADRAVCF-NRFANRHFSA-N 1 1 421.582 2.338 20 0 HEADMO C[C@H](C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000741015808 1076329691 /nfs/dbraw/zinc/32/96/91/1076329691.db2.gz DKKYSFRHIGEEHN-KZNAEPCWSA-N 1 1 416.522 2.167 20 0 HEADMO C[C@H](C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741016427 1076336753 /nfs/dbraw/zinc/33/67/53/1076336753.db2.gz IUQCZWOBZHOOTC-FGTMMUONSA-N 1 1 415.534 2.212 20 0 HEADMO C[C@H](C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741016427 1076336759 /nfs/dbraw/zinc/33/67/59/1076336759.db2.gz IUQCZWOBZHOOTC-FGTMMUONSA-N 1 1 415.534 2.212 20 0 HEADMO C[C@H](OC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000741017747 1076336841 /nfs/dbraw/zinc/33/68/41/1076336841.db2.gz QTMGIIXCZBSBNI-FLXSYLCISA-N 1 1 404.507 2.478 20 0 HEADMO C[C@H](OC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000741017747 1076336849 /nfs/dbraw/zinc/33/68/49/1076336849.db2.gz QTMGIIXCZBSBNI-FLXSYLCISA-N 1 1 404.507 2.478 20 0 HEADMO COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741021550 1076339197 /nfs/dbraw/zinc/33/91/97/1076339197.db2.gz PEPIBTXPHWJNPZ-ZNMIVQPWSA-N 1 1 408.495 2.133 20 0 HEADMO COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741021550 1076339204 /nfs/dbraw/zinc/33/92/04/1076339204.db2.gz PEPIBTXPHWJNPZ-ZNMIVQPWSA-N 1 1 408.495 2.133 20 0 HEADMO C[C@H](C(=O)OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741020926 1076339425 /nfs/dbraw/zinc/33/94/25/1076339425.db2.gz BGLXEWGKPNURHU-CEXWTWQISA-N 1 1 421.582 2.432 20 0 HEADMO C[C@H](C(=O)OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741020926 1076339433 /nfs/dbraw/zinc/33/94/33/1076339433.db2.gz BGLXEWGKPNURHU-CEXWTWQISA-N 1 1 421.582 2.432 20 0 HEADMO Cc1cc(NC(=O)COC(=O)[C@H](C)[NH+]2CCCCCC2)n(-c2nc(C)cc(C)n2)n1 ZINC000741029781 1076344353 /nfs/dbraw/zinc/34/43/53/1076344353.db2.gz SKZJXTLKQRHJNE-KRWDZBQOSA-N 1 1 414.510 2.334 20 0 HEADMO C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000741082137 1076357298 /nfs/dbraw/zinc/35/72/98/1076357298.db2.gz XWOZZARHGZJVAK-UHFFFAOYSA-N 1 1 402.539 2.192 20 0 HEADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@H](CCO)c3ccccc3)cc2)CC1 ZINC000741105564 1076358371 /nfs/dbraw/zinc/35/83/71/1076358371.db2.gz VLMVLLWKDTZTBP-HXUWFJFHSA-N 1 1 424.545 2.049 20 0 HEADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H](CCO)c3ccccc3)cc2)CC1 ZINC000741105563 1076358395 /nfs/dbraw/zinc/35/83/95/1076358395.db2.gz VLMVLLWKDTZTBP-FQEVSTJZSA-N 1 1 424.545 2.049 20 0 HEADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[C@H]1NC(=O)OC(C)(C)C ZINC000741096958 1076367813 /nfs/dbraw/zinc/36/78/13/1076367813.db2.gz JSPFYMPNGMZANH-RDTXWAMCSA-N 1 1 416.522 2.332 20 0 HEADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[C@H]1NC(=O)OC(C)(C)C ZINC000741096958 1076367816 /nfs/dbraw/zinc/36/78/16/1076367816.db2.gz JSPFYMPNGMZANH-RDTXWAMCSA-N 1 1 416.522 2.332 20 0 HEADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)C1 ZINC000741119069 1076379176 /nfs/dbraw/zinc/37/91/76/1076379176.db2.gz YKGBFEHPVJGKHP-APWZRJJASA-N 1 1 402.491 2.207 20 0 HEADMO CCS(=O)(=O)N1CCC(C(=O)OC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000741124742 1076380664 /nfs/dbraw/zinc/38/06/64/1076380664.db2.gz PXBCZBXVTFRSDG-UYAOXDASSA-N 1 1 424.563 2.293 20 0 HEADMO Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1N1C(=O)CCC1=O ZINC000741188300 1076401544 /nfs/dbraw/zinc/40/15/44/1076401544.db2.gz HOEUQWQGRXIUMY-HXUWFJFHSA-N 1 1 407.470 2.488 20 0 HEADMO Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1N1C(=O)CCC1=O ZINC000741188300 1076401548 /nfs/dbraw/zinc/40/15/48/1076401548.db2.gz HOEUQWQGRXIUMY-HXUWFJFHSA-N 1 1 407.470 2.488 20 0 HEADMO CC(C)(C)OC(=O)N1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000741212796 1076405882 /nfs/dbraw/zinc/40/58/82/1076405882.db2.gz JOKJPLPGTXNAFL-IBGZPJMESA-N 1 1 403.523 2.357 20 0 HEADMO CC(C)(C)OC(=O)N1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000741212796 1076405885 /nfs/dbraw/zinc/40/58/85/1076405885.db2.gz JOKJPLPGTXNAFL-IBGZPJMESA-N 1 1 403.523 2.357 20 0 HEADMO Cn1nc(Br)c2c1ncnc2NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741242094 1076433351 /nfs/dbraw/zinc/43/33/51/1076433351.db2.gz LBSWWQMITYSZLG-GOSISDBHSA-N 1 1 417.311 2.175 20 0 HEADMO Cc1ccc([C@H](O)CNC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)o1 ZINC000741272497 1076439594 /nfs/dbraw/zinc/43/95/94/1076439594.db2.gz ZVSWZLSCEWCLPI-HXUWFJFHSA-N 1 1 400.523 2.129 20 0 HEADMO C[C@@H](NC(=O)NCCCNC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741272293 1076440109 /nfs/dbraw/zinc/44/01/09/1076440109.db2.gz BWSSBUAPZSHYED-IEBWSBKVSA-N 1 1 420.554 2.490 20 0 HEADMO C[C@@H](NC(=O)NCCCNC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741272293 1076440112 /nfs/dbraw/zinc/44/01/12/1076440112.db2.gz BWSSBUAPZSHYED-IEBWSBKVSA-N 1 1 420.554 2.490 20 0 HEADMO C[C@@H](NC(=O)NCCNC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741275948 1076440775 /nfs/dbraw/zinc/44/07/75/1076440775.db2.gz OJCTYIACTOYSTI-SJLPKXTDSA-N 1 1 406.527 2.100 20 0 HEADMO C[C@@H](NC(=O)NCCNC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741275948 1076440781 /nfs/dbraw/zinc/44/07/81/1076440781.db2.gz OJCTYIACTOYSTI-SJLPKXTDSA-N 1 1 406.527 2.100 20 0 HEADMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H](O)c1c(F)cccc1Cl ZINC000741295421 1076449312 /nfs/dbraw/zinc/44/93/12/1076449312.db2.gz GFPCGELCXWUDQG-IBGZPJMESA-N 1 1 405.901 2.447 20 0 HEADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)cn1 ZINC000766269642 1076463925 /nfs/dbraw/zinc/46/39/25/1076463925.db2.gz DHXTYXKPXUMYIX-MRXNPFEDSA-N 1 1 413.478 2.095 20 0 HEADMO CNC(=O)[C@@H](NC(=O)COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000741318204 1076466563 /nfs/dbraw/zinc/46/65/63/1076466563.db2.gz MESOULPPCKLODF-UNMCSNQZSA-N 1 1 423.513 2.045 20 0 HEADMO CCC[N@@H+](CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000741338814 1076471504 /nfs/dbraw/zinc/47/15/04/1076471504.db2.gz SPRARPATMFTVGC-QFBILLFUSA-N 1 1 403.523 2.188 20 0 HEADMO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NC(C3CC3)C3CC3)cc2F)CC1 ZINC000741345545 1076489515 /nfs/dbraw/zinc/48/95/15/1076489515.db2.gz QDUDLEUFTACZDY-UHFFFAOYSA-N 1 1 403.498 2.429 20 0 HEADMO Cc1nccn1-c1ccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000741410056 1076513159 /nfs/dbraw/zinc/51/31/59/1076513159.db2.gz WVXXJRUOZCUDLN-QHCPKHFHSA-N 1 1 420.517 2.012 20 0 HEADMO C[C@@H](NC(=O)NCc1ccnc(-n2ccnc2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741410938 1076513913 /nfs/dbraw/zinc/51/39/13/1076513913.db2.gz VHVLYMIXMHISMX-NQIIRXRSSA-N 1 1 420.517 2.356 20 0 HEADMO C[C@@H](NC(=O)NCc1ccnc(-n2ccnc2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741410938 1076513916 /nfs/dbraw/zinc/51/39/16/1076513916.db2.gz VHVLYMIXMHISMX-NQIIRXRSSA-N 1 1 420.517 2.356 20 0 HEADMO O=C(NCc1nc(Cc2ccccc2)no1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741412482 1076514525 /nfs/dbraw/zinc/51/45/25/1076514525.db2.gz PLWMYNMULRPLFG-QHCPKHFHSA-N 1 1 421.501 2.097 20 0 HEADMO C[C@H](NC(=O)NC1CCC2(CC1)OCCO2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741415002 1076515524 /nfs/dbraw/zinc/51/55/24/1076515524.db2.gz YTIJYXWFCNCQIA-PXNSSMCTSA-N 1 1 403.523 2.261 20 0 HEADMO C[C@H](NC(=O)NC1CCC2(CC1)OCCO2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741415002 1076515530 /nfs/dbraw/zinc/51/55/30/1076515530.db2.gz YTIJYXWFCNCQIA-PXNSSMCTSA-N 1 1 403.523 2.261 20 0 HEADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@@H](O)c3ccc(C)o3)cc2)CC1 ZINC000741390609 1076518537 /nfs/dbraw/zinc/51/85/37/1076518537.db2.gz HWPPWPNOEJIYRC-GOSISDBHSA-N 1 1 400.479 2.221 20 0 HEADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000741428784 1076521724 /nfs/dbraw/zinc/52/17/24/1076521724.db2.gz XIRRAOLRPBNONN-OALUTQOASA-N 1 1 423.602 2.101 20 0 HEADMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@@H+]1C ZINC000741589698 1076547613 /nfs/dbraw/zinc/54/76/13/1076547613.db2.gz NOTPUVMNAYYQBQ-AAEUAGOBSA-N 1 1 403.342 2.407 20 0 HEADMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@H+]1C ZINC000741589698 1076547620 /nfs/dbraw/zinc/54/76/20/1076547620.db2.gz NOTPUVMNAYYQBQ-AAEUAGOBSA-N 1 1 403.342 2.407 20 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ZINC001164886080 721388467 /nfs/dbraw/zinc/38/84/67/721388467.db2.gz DJRURECWFKIGNL-CRAIPNDOSA-N 1 1 415.916 2.440 20 0 HEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nccc(Cl)n4)C3)O2)CC1 ZINC001164886086 721388851 /nfs/dbraw/zinc/38/88/51/721388851.db2.gz DJRURECWFKIGNL-QAPCUYQASA-N 1 1 415.916 2.440 20 0 HEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5nc(Cl)ccc54)C3)O2)CC1 ZINC001164886323 721390732 /nfs/dbraw/zinc/39/07/32/721390732.db2.gz FEJJEHKOINDFTI-IIBYNOLFSA-N 1 1 416.957 2.444 20 0 HEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)nc4)C3)O2)CC1 ZINC001164887773 721392454 /nfs/dbraw/zinc/39/24/54/721392454.db2.gz IGHSZHFYMVGHQJ-SJLPKXTDSA-N 1 1 415.916 2.440 20 0 HEADMO CCOC(=O)c1cc(C)cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888550 721392525 /nfs/dbraw/zinc/39/25/25/721392525.db2.gz KAPJAZTWQWTVEC-XXBNENTESA-N 1 1 416.566 2.332 20 0 HEADMO CCOC(=O)c1cc(C)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888549 721392626 /nfs/dbraw/zinc/39/26/26/721392626.db2.gz KAPJAZTWQWTVEC-WMZHIEFXSA-N 1 1 416.566 2.332 20 0 HEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)nc4)C3)O2)CC1 ZINC001164887775 721392801 /nfs/dbraw/zinc/39/28/01/721392801.db2.gz IGHSZHFYMVGHQJ-WMZOPIPTSA-N 1 1 415.916 2.440 20 0 HEADMO COC(=O)c1cc(Cl)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164892901 721393745 /nfs/dbraw/zinc/39/37/45/721393745.db2.gz UJAXRQBFTRMOEI-DYESRHJHSA-N 1 1 422.957 2.287 20 0 HEADMO CCOc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164887743 721400073 /nfs/dbraw/zinc/40/00/73/721400073.db2.gz NDMSLBHURFGVRI-OXJNMPFZSA-N 1 1 409.962 2.294 20 0 HEADMO COC(=O)c1c(C)cc(C)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164887709 721408670 /nfs/dbraw/zinc/40/86/70/721408670.db2.gz MMWKNZKGMLHDJX-XXBNENTESA-N 1 1 416.566 2.250 20 0 HEADMO COC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ccc1Cl ZINC001164885818 721409740 /nfs/dbraw/zinc/40/97/40/721409740.db2.gz HNEBHZVJBCTOJJ-IIBYNOLFSA-N 1 1 422.957 2.287 20 0 HEADMO COc1c(Cl)nc(C)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164886229 721411039 /nfs/dbraw/zinc/41/10/39/721411039.db2.gz IJTSULCOJRBTGO-JXFKEZNVSA-N 1 1 409.962 2.212 20 0 HEADMO CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1C ZINC001164888790 721416653 /nfs/dbraw/zinc/41/66/53/721416653.db2.gz OQJQAXYFNUMLPA-WMZHIEFXSA-N 1 1 416.566 2.332 20 0 HEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(F)nc(F)nc4Cl)C3)O2)CC1 ZINC001164896085 721431056 /nfs/dbraw/zinc/43/10/56/721431056.db2.gz QKXKYSRVBFRLKO-SCLBCKFNSA-N 1 1 401.889 2.174 20 0 HEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccncc5)ncn4)C3)O2)CC1 ZINC001164888698 721437896 /nfs/dbraw/zinc/43/78/96/721437896.db2.gz AMYHEUIOORXULK-NFBKMPQASA-N 1 1 408.550 2.304 20 0 HEADMO CC(C)OC(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164899857 721446596 /nfs/dbraw/zinc/44/65/96/721446596.db2.gz ZKFICTMNWRUPBM-XXBNENTESA-N 1 1 416.566 2.412 20 0 HEADMO C[N@@H+](Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)nc1)C1CC1 ZINC001164791869 721482471 /nfs/dbraw/zinc/48/24/71/721482471.db2.gz KCXIVWGSULWLBA-AQNXPRMDSA-N 1 1 400.523 2.071 20 0 HEADMO CCOC(=O)c1cnc(C)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900023 721524457 /nfs/dbraw/zinc/52/44/57/721524457.db2.gz NDQJRMHJGQIHLC-SJLPKXTDSA-N 1 1 400.454 2.443 20 0 HEADMO Cc1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C(N)=O ZINC001164801572 721529379 /nfs/dbraw/zinc/52/93/79/721529379.db2.gz FSMQJMADKZIODS-BXWFABGCSA-N 1 1 415.925 2.406 20 0 HEADMO Cc1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C(N)=O ZINC001164801572 721529382 /nfs/dbraw/zinc/52/93/82/721529382.db2.gz FSMQJMADKZIODS-BXWFABGCSA-N 1 1 415.925 2.406 20 0 HEADMO O=C1NCc2c1cc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909907 721542165 /nfs/dbraw/zinc/54/21/65/721542165.db2.gz SKNKAVDENGCRTN-ZFWWWQNUSA-N 1 1 402.857 2.459 20 0 HEADMO CCOC(=O)c1cc(C)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164803026 721542171 /nfs/dbraw/zinc/54/21/71/721542171.db2.gz HLARFVQIOGTBPW-AABGKKOBSA-N 1 1 411.506 2.225 20 0 HEADMO CCOC(=O)c1cc(C)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164803026 721542174 /nfs/dbraw/zinc/54/21/74/721542174.db2.gz HLARFVQIOGTBPW-AABGKKOBSA-N 1 1 411.506 2.225 20 0 HEADMO COC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1F ZINC001164809503 721543694 /nfs/dbraw/zinc/54/36/94/721543694.db2.gz UZCPKPQWRXMOCM-CMKODMSKSA-N 1 1 400.454 2.271 20 0 HEADMO CCOC(=O)Cc1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164909168 721546138 /nfs/dbraw/zinc/54/61/38/721546138.db2.gz QUWDCKJLERGSQU-IEBWSBKVSA-N 1 1 400.454 2.063 20 0 HEADMO COC(OC)c1c(CO)ccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902989 721547127 /nfs/dbraw/zinc/54/71/27/721547127.db2.gz BPYCCLMQDJMBGK-PKOBYXMFSA-N 1 1 417.481 2.346 20 0 HEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2[nH]c3cc(=O)[nH]c-3cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164807268 721557483 /nfs/dbraw/zinc/55/74/83/721557483.db2.gz SDCBUZQOFIGASL-QWFCFKBJSA-N 1 1 413.909 2.493 20 0 HEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH]c3cc(=O)[nH]c-3cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164807268 721557486 /nfs/dbraw/zinc/55/74/86/721557486.db2.gz SDCBUZQOFIGASL-QWFCFKBJSA-N 1 1 413.909 2.493 20 0 HEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164809909 721559448 /nfs/dbraw/zinc/55/94/48/721559448.db2.gz YAMJWKVVTAGDLV-KCZVDYSFSA-N 1 1 407.518 2.237 20 0 HEADMO CCOC(=O)c1ncnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C ZINC001164799560 721560366 /nfs/dbraw/zinc/56/03/66/721560366.db2.gz CJXVERAXTZOPIK-BJLQDIEVSA-N 1 1 411.506 2.225 20 0 HEADMO CCOC(=O)c1ncnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C ZINC001164799560 721560369 /nfs/dbraw/zinc/56/03/69/721560369.db2.gz CJXVERAXTZOPIK-BJLQDIEVSA-N 1 1 411.506 2.225 20 0 HEADMO O=C1CSc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2N1 ZINC001164911421 721566234 /nfs/dbraw/zinc/56/62/34/721566234.db2.gz ZEDRCEZQBHSBKS-DZGCQCFKSA-N 1 1 401.467 2.002 20 0 HEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3ncnc(Cl)c3n2)[C@H]2CCCO[C@@H]12 ZINC001164809915 721567192 /nfs/dbraw/zinc/56/71/92/721567192.db2.gz YASHLZPMORUMGF-LZLYRXPVSA-N 1 1 411.897 2.336 20 0 HEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3ncnc(Cl)c3n2)[C@H]2CCCO[C@@H]12 ZINC001164809915 721567194 /nfs/dbraw/zinc/56/71/94/721567194.db2.gz YASHLZPMORUMGF-LZLYRXPVSA-N 1 1 411.897 2.336 20 0 HEADMO CN(Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164798116 721571278 /nfs/dbraw/zinc/57/12/78/721571278.db2.gz ADVGIHNZWPQFMX-YZUZCNPQSA-N 1 1 422.577 2.272 20 0 HEADMO CCCNC(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164807915 721577944 /nfs/dbraw/zinc/57/79/44/721577944.db2.gz UCDWTMAIZWJNFK-ACRUOGEOSA-N 1 1 409.534 2.485 20 0 HEADMO CCCNC(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164807915 721577945 /nfs/dbraw/zinc/57/79/45/721577945.db2.gz UCDWTMAIZWJNFK-ACRUOGEOSA-N 1 1 409.534 2.485 20 0 HEADMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2c1ccn2C ZINC001164800759 721589425 /nfs/dbraw/zinc/58/94/25/721589425.db2.gz CQZMOBXWFMLCHI-FHWLQOOXSA-N 1 1 408.506 2.240 20 0 HEADMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2c1ccn2C ZINC001164800759 721589427 /nfs/dbraw/zinc/58/94/27/721589427.db2.gz CQZMOBXWFMLCHI-FHWLQOOXSA-N 1 1 408.506 2.240 20 0 HEADMO CCOC(=O)Cc1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164799286 721590968 /nfs/dbraw/zinc/59/09/68/721590968.db2.gz ALCXPGWPPCCVLB-SXWKCWPCSA-N 1 1 410.518 2.450 20 0 HEADMO COC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904131 721692836 /nfs/dbraw/zinc/69/28/36/721692836.db2.gz DHKBCPAAZJJLKN-IBGZPJMESA-N 1 1 403.433 2.396 20 0 HEADMO NC(=O)c1nc(Cl)cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906491 721711719 /nfs/dbraw/zinc/71/17/19/721711719.db2.gz MIZHQIGZRRJMLN-GOSISDBHSA-N 1 1 422.867 2.362 20 0 HEADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(N)c2)CC1 ZINC001165010768 721743390 /nfs/dbraw/zinc/74/33/90/721743390.db2.gz PBOWQKLSHVTTOP-UHFFFAOYSA-N 1 1 401.889 2.385 20 0 HEADMO Cc1cccc2c1ncnc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911087 721775418 /nfs/dbraw/zinc/77/54/18/721775418.db2.gz DXPCVSOFUCKZQR-HSZRJFAPSA-N 1 1 405.502 2.441 20 0 HEADMO Cc1cccc2c1ncnc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911087 721775423 /nfs/dbraw/zinc/77/54/23/721775423.db2.gz DXPCVSOFUCKZQR-HSZRJFAPSA-N 1 1 405.502 2.441 20 0 HEADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)C[C@@H]32)cc1 ZINC001165027457 721796993 /nfs/dbraw/zinc/79/69/93/721796993.db2.gz VUWOVKCVMIPSMJ-FCHUYYIVSA-N 1 1 422.529 2.301 20 0 HEADMO CN1CCN(c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)CC1 ZINC001165027242 721801922 /nfs/dbraw/zinc/80/19/22/721801922.db2.gz UTBJGZYYGFSZBV-KSEOMHKRSA-N 1 1 421.593 2.360 20 0 HEADMO CN1CCN(c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)CC1 ZINC001165027242 721801925 /nfs/dbraw/zinc/80/19/25/721801925.db2.gz UTBJGZYYGFSZBV-KSEOMHKRSA-N 1 1 421.593 2.360 20 0 HEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164926358 721864716 /nfs/dbraw/zinc/86/47/16/721864716.db2.gz RTHDOYMRNMPSBH-SJORKVTESA-N 1 1 403.914 2.284 20 0 HEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164926358 721864717 /nfs/dbraw/zinc/86/47/17/721864717.db2.gz RTHDOYMRNMPSBH-SJORKVTESA-N 1 1 403.914 2.284 20 0 HEADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nccc(-c2cnc(N3CCCCC3)nc2)n1 ZINC001164920841 721869348 /nfs/dbraw/zinc/86/93/48/721869348.db2.gz BAGQIUKKPUEGSU-RTWAWAEBSA-N 1 1 422.581 2.139 20 0 HEADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nccc(-c2cnc(N3CCCCC3)nc2)n1 ZINC001164920841 721869349 /nfs/dbraw/zinc/86/93/49/721869349.db2.gz BAGQIUKKPUEGSU-RTWAWAEBSA-N 1 1 422.581 2.139 20 0 HEADMO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@H]21 ZINC001164951716 722005235 /nfs/dbraw/zinc/00/52/35/722005235.db2.gz IRNRPWFFPKLDFO-OALUTQOASA-N 1 1 415.545 2.405 20 0 HEADMO CN1CCN(c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)CC1 ZINC001164955055 722013554 /nfs/dbraw/zinc/01/35/54/722013554.db2.gz SARDWBWUBFETCG-UHFFFAOYSA-N 1 1 407.566 2.116 20 0 HEADMO CN1CCN(c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)CC1 ZINC001164955055 722013557 /nfs/dbraw/zinc/01/35/57/722013557.db2.gz SARDWBWUBFETCG-UHFFFAOYSA-N 1 1 407.566 2.116 20 0 HEADMO C[C@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c21 ZINC001164963785 722056032 /nfs/dbraw/zinc/05/60/32/722056032.db2.gz KTYBWTZZHCEDIC-KRWDZBQOSA-N 1 1 422.533 2.436 20 0 HEADMO CC(=O)N1[C@@H]2CCN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164968755 722081080 /nfs/dbraw/zinc/08/10/80/722081080.db2.gz 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DRVNTRFQZYNREI-YSIASYRMSA-N 1 1 403.523 2.213 20 0 HEADMO C[C@H](NC(=O)N1CCCC[C@H]1C1OCCO1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741430761 1076522998 /nfs/dbraw/zinc/52/29/98/1076522998.db2.gz DRVNTRFQZYNREI-YSIASYRMSA-N 1 1 403.523 2.213 20 0 HEADMO CCOC(=O)N1CCCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000741432171 1076523973 /nfs/dbraw/zinc/52/39/73/1076523973.db2.gz JODJLVRNZBJLOH-QUCCMNQESA-N 1 1 418.538 2.150 20 0 HEADMO CCOC(=O)N1CCCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000741432171 1076523979 /nfs/dbraw/zinc/52/39/79/1076523979.db2.gz JODJLVRNZBJLOH-QUCCMNQESA-N 1 1 418.538 2.150 20 0 HEADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C1 ZINC000741441331 1076530843 /nfs/dbraw/zinc/53/08/43/1076530843.db2.gz HACCRTXGVKTYEY-TZIWHRDSSA-N 1 1 418.534 2.204 20 0 HEADMO C[C@@H](NC(=O)N(C)Cc1nnc2ccccn21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741427101 1076534791 /nfs/dbraw/zinc/53/47/91/1076534791.db2.gz WLKXZPYHAAOJFV-MJGOQNOKSA-N 1 1 408.506 2.160 20 0 HEADMO C[C@@H](NC(=O)N(C)Cc1nnc2ccccn21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741427101 1076534799 /nfs/dbraw/zinc/53/47/99/1076534799.db2.gz WLKXZPYHAAOJFV-MJGOQNOKSA-N 1 1 408.506 2.160 20 0 HEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)[C@H](C)C1 ZINC000741588157 1076546958 /nfs/dbraw/zinc/54/69/58/1076546958.db2.gz HOPWUXYZOLJHCT-CRAIPNDOSA-N 1 1 411.543 2.413 20 0 HEADMO CON(C)S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Cl ZINC000741589173 1076547062 /nfs/dbraw/zinc/54/70/62/1076547062.db2.gz LJIWGMNDFLDICU-JSGCOSHPSA-N 1 1 403.932 2.077 20 0 HEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)[C@H](C)C1 ZINC000741590291 1076547280 /nfs/dbraw/zinc/54/72/80/1076547280.db2.gz PMLMYYCLKBRVII-CZUORRHYSA-N 1 1 417.959 2.324 20 0 HEADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)[C@H](C)C1 ZINC000741590289 1076547346 /nfs/dbraw/zinc/54/73/46/1076547346.db2.gz PMLMYYCLKBRVII-CJNGLKHVSA-N 1 1 417.959 2.324 20 0 HEADMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@@H+]1C ZINC000741589700 1076547811 /nfs/dbraw/zinc/54/78/11/1076547811.db2.gz NOTPUVMNAYYQBQ-DGCLKSJQSA-N 1 1 403.342 2.407 20 0 HEADMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@H+]1C ZINC000741589700 1076547820 /nfs/dbraw/zinc/54/78/20/1076547820.db2.gz NOTPUVMNAYYQBQ-DGCLKSJQSA-N 1 1 403.342 2.407 20 0 HEADMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000741584372 1076553500 /nfs/dbraw/zinc/55/35/00/1076553500.db2.gz JCDNLCFPPPUKGV-MAUKXSAKSA-N 1 1 411.543 2.413 20 0 HEADMO COCCOc1ccc(-n2nc(C)c(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)n2)cc1 ZINC000741584917 1076554471 /nfs/dbraw/zinc/55/44/71/1076554471.db2.gz LPVPHJDBKOJXRJ-KXBFYZLASA-N 1 1 401.511 2.013 20 0 HEADMO C[N@H+]1CCC[C@H](CNC(=O)CS[C@H]2CCS(=O)(=O)C2)[C@@H]1c1cccs1 ZINC000741710758 1076601644 /nfs/dbraw/zinc/60/16/44/1076601644.db2.gz HTRMQZOIPAKPMF-JKIFEVAISA-N 1 1 402.607 2.168 20 0 HEADMO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000741776881 1076623850 /nfs/dbraw/zinc/62/38/50/1076623850.db2.gz AQZBXBMJIZUBPT-IRXDYDNUSA-N 1 1 411.543 2.119 20 0 HEADMO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000741776881 1076623854 /nfs/dbraw/zinc/62/38/54/1076623854.db2.gz AQZBXBMJIZUBPT-IRXDYDNUSA-N 1 1 411.543 2.119 20 0 HEADMO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000741791344 1076628894 /nfs/dbraw/zinc/62/88/94/1076628894.db2.gz QGBDLIHNYHOFML-BEWREHSGSA-N 1 1 408.495 2.303 20 0 HEADMO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741796603 1076632504 /nfs/dbraw/zinc/63/25/04/1076632504.db2.gz IHKJNKVJHYGHML-IBGZPJMESA-N 1 1 418.538 2.496 20 0 HEADMO CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC(O)(c3cccc(C)c3C)CC2)CC1 ZINC000741810409 1076634762 /nfs/dbraw/zinc/63/47/62/1076634762.db2.gz KKAMCKOUWZBNMV-UHFFFAOYSA-N 1 1 417.550 2.324 20 0 HEADMO CCOC(=O)C1=C(C[N@@H+]2CCCC3(CCOCC3)C2)NC(=O)N[C@H]1c1ccco1 ZINC000741802738 1076643136 /nfs/dbraw/zinc/64/31/36/1076643136.db2.gz QPSXMKBJAPMAGQ-SFHVURJKSA-N 1 1 403.479 2.343 20 0 HEADMO CCOC(=O)C1=C(C[N@H+]2CCCC3(CCOCC3)C2)NC(=O)N[C@H]1c1ccco1 ZINC000741802738 1076643140 /nfs/dbraw/zinc/64/31/40/1076643140.db2.gz QPSXMKBJAPMAGQ-SFHVURJKSA-N 1 1 403.479 2.343 20 0 HEADMO CCn1nc(C)c(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1Cl ZINC000741903660 1076665570 /nfs/dbraw/zinc/66/55/70/1076665570.db2.gz WBIFBIMGVQWXHE-UHFFFAOYSA-N 1 1 403.914 2.182 20 0 HEADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000742056438 1076720360 /nfs/dbraw/zinc/72/03/60/1076720360.db2.gz URWGFTOEQHVESR-IAGOWNOFSA-N 1 1 420.579 2.084 20 0 HEADMO CN(CCCC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000742057482 1076720522 /nfs/dbraw/zinc/72/05/22/1076720522.db2.gz AAVFCYHBFCUSBX-UHFFFAOYSA-N 1 1 420.579 2.180 20 0 HEADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000742038195 1076727302 /nfs/dbraw/zinc/72/73/02/1076727302.db2.gz GXAAKGIDZMGOEY-KRWDZBQOSA-N 1 1 420.579 2.228 20 0 HEADMO C[C@@H]1CN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC[N@@H+]1C ZINC000742196514 1076784938 /nfs/dbraw/zinc/78/49/38/1076784938.db2.gz PCGDXLASCVBRRR-OAHLLOKOSA-N 1 1 423.560 2.115 20 0 HEADMO C[C@@H]1CN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC[N@H+]1C ZINC000742196514 1076784950 /nfs/dbraw/zinc/78/49/50/1076784950.db2.gz PCGDXLASCVBRRR-OAHLLOKOSA-N 1 1 423.560 2.115 20 0 HEADMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742308062 1076813981 /nfs/dbraw/zinc/81/39/81/1076813981.db2.gz CFRWAQAXUYVERC-VQTJNVASSA-N 1 1 423.579 2.391 20 0 HEADMO CC[N@@H+](CCNS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000742287607 1076816898 /nfs/dbraw/zinc/81/68/98/1076816898.db2.gz KDFGMHBZVVZSFX-LJQANCHMSA-N 1 1 423.579 2.439 20 0 HEADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(Br)cc1F ZINC000742309369 1076821787 /nfs/dbraw/zinc/82/17/87/1076821787.db2.gz REHVYQDTIDMRPS-SNVBAGLBSA-N 1 1 423.304 2.090 20 0 HEADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c(Br)cc1F ZINC000742309369 1076821790 /nfs/dbraw/zinc/82/17/90/1076821790.db2.gz REHVYQDTIDMRPS-SNVBAGLBSA-N 1 1 423.304 2.090 20 0 HEADMO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2C)s1 ZINC000742298909 1076822002 /nfs/dbraw/zinc/82/20/02/1076822002.db2.gz KUTATYXZAHGCJJ-GFCCVEGCSA-N 1 1 419.532 2.313 20 0 HEADMO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)cc21 ZINC000742334759 1076825741 /nfs/dbraw/zinc/82/57/41/1076825741.db2.gz UQJSEYPBKDLUTM-HXUWFJFHSA-N 1 1 413.543 2.491 20 0 HEADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000742337035 1076825881 /nfs/dbraw/zinc/82/58/81/1076825881.db2.gz WCGDFMQCSDFZOA-HLLBOEOZSA-N 1 1 400.508 2.240 20 0 HEADMO C[C@H](CNS(=O)(=O)/C=C\c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000742312860 1076827843 /nfs/dbraw/zinc/82/78/43/1076827843.db2.gz NGNXCXOBADYDAK-WASHYIJTSA-N 1 1 416.385 2.223 20 0 HEADMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Br)C1 ZINC000742346360 1076832238 /nfs/dbraw/zinc/83/22/38/1076832238.db2.gz HJBNKUKSUFFJFC-GFCCVEGCSA-N 1 1 419.341 2.198 20 0 HEADMO CC(=O)NC[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000742559915 1076851968 /nfs/dbraw/zinc/85/19/68/1076851968.db2.gz YDKWAUYWXOFTEF-HXOBKFHXSA-N 1 1 408.502 2.412 20 0 HEADMO CC(=O)NC[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000742559915 1076851971 /nfs/dbraw/zinc/85/19/71/1076851971.db2.gz YDKWAUYWXOFTEF-HXOBKFHXSA-N 1 1 408.502 2.412 20 0 HEADMO COCC[N@H+]1CCCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742582829 1076853328 /nfs/dbraw/zinc/85/33/28/1076853328.db2.gz KVLQTGGHELEHOC-LJQANCHMSA-N 1 1 405.539 2.476 20 0 HEADMO CC(C)(C)OC(=O)NC[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000742599146 1076854787 /nfs/dbraw/zinc/85/47/87/1076854787.db2.gz SHXMHDFIWOEHIX-QRVBRYPASA-N 1 1 403.523 2.274 20 0 HEADMO Cc1nn(C)c2nc(Cl)c(C[NH2+]CCS(=O)(=O)NCc3ccccc3)cc12 ZINC000742682617 1076866410 /nfs/dbraw/zinc/86/64/10/1076866410.db2.gz QHKMJLHLKUFBFD-UHFFFAOYSA-N 1 1 407.927 2.139 20 0 HEADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000742880972 1076888558 /nfs/dbraw/zinc/88/85/58/1076888558.db2.gz DOLWZQHJDMYZJI-AWEZNQCLSA-N 1 1 401.960 2.394 20 0 HEADMO CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc2)CC1 ZINC000742896687 1076893836 /nfs/dbraw/zinc/89/38/36/1076893836.db2.gz BPWHTAPCXCNHAT-OAQYLSRUSA-N 1 1 409.486 2.033 20 0 HEADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000742915142 1076896910 /nfs/dbraw/zinc/89/69/10/1076896910.db2.gz DDRYPXZMSMUOGH-SFHVURJKSA-N 1 1 422.595 2.219 20 0 HEADMO O=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000743078053 1076945687 /nfs/dbraw/zinc/94/56/87/1076945687.db2.gz HRJHVBPPKDQSOH-UHFFFAOYSA-N 1 1 419.551 2.249 20 0 HEADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 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RQRDIYPPPDXEAX-QHCPKHFHSA-N 1 1 424.549 2.220 20 0 HEADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc(Cl)c1C(N)=O)C2 ZINC001164910095 721756755 /nfs/dbraw/zinc/75/67/55/721756755.db2.gz LXQUUDGFNOJMHO-UHFFFAOYSA-N 1 1 412.881 2.412 20 0 HEADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc(Cl)c1C(N)=O)C2 ZINC001164910095 721756761 /nfs/dbraw/zinc/75/67/61/721756761.db2.gz LXQUUDGFNOJMHO-UHFFFAOYSA-N 1 1 412.881 2.412 20 0 HEADMO Fc1cccc2c1ncnc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912626 721780197 /nfs/dbraw/zinc/78/01/97/721780197.db2.gz NHQCWFXONIAKFY-QFIPXVFZSA-N 1 1 409.465 2.272 20 0 HEADMO Fc1cccc2c1ncnc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912626 721780204 /nfs/dbraw/zinc/78/02/04/721780204.db2.gz NHQCWFXONIAKFY-QFIPXVFZSA-N 1 1 409.465 2.272 20 0 HEADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1 ZINC001164925609 721862682 /nfs/dbraw/zinc/86/26/82/721862682.db2.gz OOSOOEHBTUQTEX-OAGGEKHMSA-N 1 1 419.961 2.393 20 0 HEADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1 ZINC001164925609 721862683 /nfs/dbraw/zinc/86/26/83/721862683.db2.gz OOSOOEHBTUQTEX-OAGGEKHMSA-N 1 1 419.961 2.393 20 0 HEADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164924301 721863369 /nfs/dbraw/zinc/86/33/69/721863369.db2.gz KSAXRICEQRGFGR-QWHCGFSZSA-N 1 1 413.975 2.243 20 0 HEADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164924301 721863370 /nfs/dbraw/zinc/86/33/70/721863370.db2.gz KSAXRICEQRGFGR-QWHCGFSZSA-N 1 1 413.975 2.243 20 0 HEADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(N3CCOCC3)cc2)nn1 ZINC001164932627 721885674 /nfs/dbraw/zinc/88/56/74/721885674.db2.gz JTPVHSTYPIQOKS-GOTSBHOMSA-N 1 1 422.577 2.195 20 0 HEADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(N3CCOCC3)cc2)nn1 ZINC001164932627 721885676 /nfs/dbraw/zinc/88/56/76/721885676.db2.gz JTPVHSTYPIQOKS-GOTSBHOMSA-N 1 1 422.577 2.195 20 0 HEADMO C[NH+](C)[C@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@@H](CO)C2)C1 ZINC001165036494 721894054 /nfs/dbraw/zinc/89/40/54/721894054.db2.gz RVNZSZMCNWEHHZ-MSOLQXFVSA-N 1 1 417.598 2.411 20 0 HEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3C[N@H+](C(C)(C)c4ccnc(Cl)c4)CC[C@@H]32)cn1 ZINC001164956065 722032472 /nfs/dbraw/zinc/03/24/72/722032472.db2.gz BNEJEGMIZZRKBH-NJAFHUGGSA-N 1 1 417.941 2.471 20 0 HEADMO COCc1nc(OC)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164965008 722061834 /nfs/dbraw/zinc/06/18/34/722061834.db2.gz HYFYYYSZRVBRDR-UHFFFAOYSA-N 1 1 413.522 2.146 20 0 HEADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164966992 722074741 /nfs/dbraw/zinc/07/47/41/722074741.db2.gz IMLOZQSTWLIJOW-OKILXGFUSA-N 1 1 401.841 2.366 20 0 HEADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164966992 722074742 /nfs/dbraw/zinc/07/47/42/722074742.db2.gz IMLOZQSTWLIJOW-OKILXGFUSA-N 1 1 401.841 2.366 20 0 HEADMO COc1cnc(SC)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984362 722102381 /nfs/dbraw/zinc/10/23/81/722102381.db2.gz SUFITKBBKVFUSS-WMZOPIPTSA-N 1 1 401.536 2.329 20 0 HEADMO Cc1nc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2[nH]1 ZINC001164978244 722109286 /nfs/dbraw/zinc/10/92/86/722109286.db2.gz OAMRASXJOREFNI-HZPDHXFCSA-N 1 1 413.913 2.437 20 0 HEADMO Cn1cnc2c1nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973089 722109972 /nfs/dbraw/zinc/10/99/72/722109972.db2.gz GKYXQNZEUADWBC-HOTGVXAUSA-N 1 1 413.913 2.139 20 0 HEADMO C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164975602 722120795 /nfs/dbraw/zinc/12/07/95/722120795.db2.gz JZASBJGFCDKGLM-BPQIPLTHSA-N 1 1 408.506 2.045 20 0 HEADMO F[C@H](Oc1ccc(Cl)nn1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975313 722156969 /nfs/dbraw/zinc/15/69/69/722156969.db2.gz SCZNALNGQSVXOM-MDZRGWNJSA-N 1 1 407.877 2.380 20 0 HEADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)Oc2ccc(Cl)nc2)CC3)CC1 ZINC001164998183 722231988 /nfs/dbraw/zinc/23/19/88/722231988.db2.gz ZFPGYWPFMXCPAG-UHFFFAOYSA-N 1 1 424.883 2.307 20 0 HEADMO COc1ccc2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2c1 ZINC001164996376 722234854 /nfs/dbraw/zinc/23/48/54/722234854.db2.gz FBYKZDYUGJOTBI-UHFFFAOYSA-N 1 1 404.518 2.390 20 0 HEADMO CCOC(=O)N1CCN(C(=O)CN(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000745450966 1078487374 /nfs/dbraw/zinc/48/73/74/1078487374.db2.gz WLOLHNWAJFMQSS-FPOVZHCZSA-N 1 1 416.566 2.445 20 0 HEADMO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000745455693 1078490961 /nfs/dbraw/zinc/49/09/61/1078490961.db2.gz GQMUOPSBILTTMQ-WQRHYEAKSA-N 1 1 423.560 2.259 20 0 HEADMO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000745455693 1078490964 /nfs/dbraw/zinc/49/09/64/1078490964.db2.gz GQMUOPSBILTTMQ-WQRHYEAKSA-N 1 1 423.560 2.259 20 0 HEADMO COC(=O)[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)Cc2ccccc21 ZINC001170009287 1078523885 /nfs/dbraw/zinc/52/38/85/1078523885.db2.gz NCPQEWBJPIVEPC-YADHBBJMSA-N 1 1 408.498 2.483 20 0 HEADMO C[NH+](C)[C@@H](CNS(=O)(=O)CCC(=O)OCc1ccccc1)c1cccc(F)c1 ZINC000769752937 1078540245 /nfs/dbraw/zinc/54/02/45/1078540245.db2.gz QEDJJLQBTMSTJD-IBGZPJMESA-N 1 1 408.495 2.481 20 0 HEADMO C[N@@H+](CCC(=O)[O-])CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000769757333 1078542419 /nfs/dbraw/zinc/54/24/19/1078542419.db2.gz DHZDHHQRPKGTTJ-UHFFFAOYSA-N 1 1 410.518 2.354 20 0 HEADMO COc1ccc(C(=O)OCCCn2cc[nH+]c2C)nc1I ZINC000769824054 1078562129 /nfs/dbraw/zinc/56/21/29/1078562129.db2.gz DWKFJKNOLREBEB-UHFFFAOYSA-N 1 1 401.204 2.447 20 0 HEADMO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000769789831 1078567257 /nfs/dbraw/zinc/56/72/57/1078567257.db2.gz ACCDLQKIRUEOQH-MRXNPFEDSA-N 1 1 407.580 2.472 20 0 HEADMO CC[C@H]1CN(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CCS1 ZINC000745616550 1078568832 /nfs/dbraw/zinc/56/88/32/1078568832.db2.gz LEBCADJDDJIGLM-INIZCTEOSA-N 1 1 400.589 2.466 20 0 HEADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000766333190 1078596743 /nfs/dbraw/zinc/59/67/43/1078596743.db2.gz HWWZOCDLVZOYQK-GOSISDBHSA-N 1 1 424.586 2.227 20 0 HEADMO CC(C)N(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2)C1CCCC1 ZINC001109538730 1078603820 /nfs/dbraw/zinc/60/38/20/1078603820.db2.gz PNQURCQOOSRAMT-KSZDVZKTSA-N 1 1 415.578 2.311 20 0 HEADMO CC(C)N(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2)C1CCCC1 ZINC001109538730 1078603827 /nfs/dbraw/zinc/60/38/27/1078603827.db2.gz PNQURCQOOSRAMT-KSZDVZKTSA-N 1 1 415.578 2.311 20 0 HEADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C1 ZINC000745721337 1078605376 /nfs/dbraw/zinc/60/53/76/1078605376.db2.gz RWYAPGDOMZNLKT-NHCICSSKSA-N 1 1 414.546 2.297 20 0 HEADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000766334660 1078615963 /nfs/dbraw/zinc/61/59/63/1078615963.db2.gz YRELUMAYKLQOKA-OAQYLSRUSA-N 1 1 408.502 2.039 20 0 HEADMO C[C@H](OC(=O)c1cc(F)ccc1O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000745731931 1078619234 /nfs/dbraw/zinc/61/92/34/1078619234.db2.gz NHJOIUOQSXHGCJ-HNNXBMFYSA-N 1 1 416.449 2.225 20 0 HEADMO CCC[C@@]1(CO)CCC[N@H+]1CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000769914283 1078632415 /nfs/dbraw/zinc/63/24/15/1078632415.db2.gz YIAIICAIMCEWKK-KNQAVFIVSA-N 1 1 401.507 2.485 20 0 HEADMO CCC[C@@]1(CO)CCC[N@@H+]1CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000769914283 1078632424 /nfs/dbraw/zinc/63/24/24/1078632424.db2.gz YIAIICAIMCEWKK-KNQAVFIVSA-N 1 1 401.507 2.485 20 0 HEADMO CCC[C@@]1(CO)CCC[N@H+]1CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000769914283 1078632432 /nfs/dbraw/zinc/63/24/32/1078632432.db2.gz YIAIICAIMCEWKK-KNQAVFIVSA-N 1 1 401.507 2.485 20 0 HEADMO Cc1ccc(N2CCC[C@@H](NC(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)C2)cc1 ZINC000745796494 1078651114 /nfs/dbraw/zinc/65/11/14/1078651114.db2.gz TZLHJTRPWKOJSV-CTNGQTDRSA-N 1 1 415.582 2.206 20 0 HEADMO 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COC(=O)c1c[nH]c2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc12 ZINC001164871040 721071475 /nfs/dbraw/zinc/07/14/75/721071475.db2.gz YBDYKDNMSLFIIJ-DLBZAZTESA-N 1 1 407.474 2.224 20 0 HEADMO COCc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(SC)n1 ZINC001164867242 721084386 /nfs/dbraw/zinc/08/43/86/721084386.db2.gz XLMBQHNHCVXFOS-MSOLQXFVSA-N 1 1 401.536 2.220 20 0 HEADMO COC(=O)c1ccc2ncnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164763688 721088866 /nfs/dbraw/zinc/08/88/66/721088866.db2.gz GRCXNJFVFQDVDC-QZTJIDSGSA-N 1 1 406.490 2.108 20 0 HEADMO COC(=O)c1ccc2nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ncc2c1 ZINC001164762932 721089120 /nfs/dbraw/zinc/08/91/20/721089120.db2.gz FOAGGYJUAGEMSH-IEBWSBKVSA-N 1 1 406.490 2.108 20 0 HEADMO CC(C)(C)NC(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865508 721090496 /nfs/dbraw/zinc/09/04/96/721090496.db2.gz MDLUCHZTWWHELF-VQTJNVASSA-N 1 1 409.534 2.485 20 0 HEADMO CCOC(=O)c1cc2ccnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2[nH]1 ZINC001164765573 721111193 /nfs/dbraw/zinc/11/11/93/721111193.db2.gz JIRSINMEOIGONA-QZTJIDSGSA-N 1 1 408.506 2.431 20 0 HEADMO COc1cc2ncc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2cc1OC ZINC001164771769 721120022 /nfs/dbraw/zinc/12/00/22/721120022.db2.gz SZULIGDKZCXKSW-SJORKVTESA-N 1 1 408.506 2.339 20 0 HEADMO COc1nc(-c2ccccc2)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164768266 721157178 /nfs/dbraw/zinc/15/71/78/721157178.db2.gz OAGUGFKXDFQQSB-RTBURBONSA-N 1 1 405.506 2.239 20 0 HEADMO COC(=O)c1c(Cl)cnc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1OC ZINC001164773878 721183444 /nfs/dbraw/zinc/18/34/44/721183444.db2.gz XTLBJVDVBNNFHA-CABCVRRESA-N 1 1 419.913 2.222 20 0 HEADMO C[N@@H+](Cc1ccc(N2CC[C@]3(C2)C[C@H](NC(=O)c2cnccn2)CCO3)nc1)C1CC1 ZINC001164871137 721216352 /nfs/dbraw/zinc/21/63/52/721216352.db2.gz IERYMLRATJEGCH-WZONZLPQSA-N 1 1 422.533 2.024 20 0 HEADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)n1 ZINC001164760181 721262378 /nfs/dbraw/zinc/26/23/78/721262378.db2.gz CTUSPFVQLGWTBB-IRXDYDNUSA-N 1 1 400.914 2.215 20 0 HEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cnc4cc(Cl)ccc4n3)CC2)C1 ZINC001164868964 721269169 /nfs/dbraw/zinc/26/91/69/721269169.db2.gz HHUKZDWQHVEIHF-UHFFFAOYSA-N 1 1 417.941 2.290 20 0 HEADMO Cc1csc2nc(C)nc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c12 ZINC001164878652 721288974 /nfs/dbraw/zinc/28/89/74/721288974.db2.gz RWHBUYVZIAYRKZ-UHFFFAOYSA-N 1 1 417.579 2.315 20 0 HEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(N(C)C)nn3)C2)C1 ZINC001164777976 721334778 /nfs/dbraw/zinc/33/47/78/721334778.db2.gz RSBFBPBMVMVOFB-OAQYLSRUSA-N 1 1 400.527 2.266 20 0 HEADMO Cc1nc2nc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ncc2[nH]1 ZINC001164787089 721360735 /nfs/dbraw/zinc/36/07/35/721360735.db2.gz YWRQEEBAYURSHP-NRFANRHFSA-N 1 1 411.510 2.337 20 0 HEADMO Cc1nc2nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ncc2[nH]1 ZINC001164787089 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ZABIGGLURQXGTG-WMZHIEFXSA-N 1 1 411.550 2.404 20 0 HEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc(OC(C)(C)C)n4)C3)O2)CC1 ZINC001164885748 721413570 /nfs/dbraw/zinc/41/35/70/721413570.db2.gz HDLXVQINUPHZJV-GCJKJVERSA-N 1 1 403.571 2.419 20 0 HEADMO Cc1noc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2)n1 ZINC001164894317 721438168 /nfs/dbraw/zinc/43/81/68/721438168.db2.gz LPIJIPIPPTVKOB-DENIHFKCSA-N 1 1 412.538 2.205 20 0 HEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccncc5)nn4)C3)O2)CC1 ZINC001164890769 721441155 /nfs/dbraw/zinc/44/11/55/721441155.db2.gz FHWFUNQNFUFOKN-NZQKXSOJSA-N 1 1 408.550 2.304 20 0 HEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccnc4OC4CCC4)C3)O2)CC1 ZINC001164898787 721444783 /nfs/dbraw/zinc/44/47/83/721444783.db2.gz XFTHPYSTUBYWQQ-SIKLNZKXSA-N 1 1 401.555 2.173 20 0 HEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN([C@@H](F)Oc4ccc(Cl)nn4)C3)O2)CC1 ZINC001164892110 721452521 /nfs/dbraw/zinc/45/25/21/721452521.db2.gz XEOAGZFJGOBOJZ-KFKAGJAMSA-N 1 1 413.925 2.023 20 0 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CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(N)cc(Cl)n2)CC1 ZINC001165011519 721740584 /nfs/dbraw/zinc/74/05/84/721740584.db2.gz PWTDJRZRXANBPI-UHFFFAOYSA-N 1 1 401.889 2.385 20 0 HEADMO COc1nnc(Cl)cc1C(F)(F)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165013351 721750026 /nfs/dbraw/zinc/75/00/26/721750026.db2.gz ZIJFAOUKAQPWLP-UHFFFAOYSA-N 1 1 417.888 2.207 20 0 HEADMO COc1ccc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912813 721774260 /nfs/dbraw/zinc/77/42/60/721774260.db2.gz QDJLFBHHZGZGRM-QHCPKHFHSA-N 1 1 421.501 2.141 20 0 HEADMO COc1ccc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912813 721774265 /nfs/dbraw/zinc/77/42/65/721774265.db2.gz QDJLFBHHZGZGRM-QHCPKHFHSA-N 1 1 421.501 2.141 20 0 HEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cnc3C(N)=O)C[C@@H]21 ZINC001165025832 721808563 /nfs/dbraw/zinc/80/85/63/721808563.db2.gz PJOZKKDGZNZCPM-CWRNSKLLSA-N 1 1 400.914 2.361 20 0 HEADMO CNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165025659 721823409 /nfs/dbraw/zinc/82/34/09/721823409.db2.gz NIXNAYWPEDDFPW-DBVUQKKJSA-N 1 1 415.563 2.122 20 0 HEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164926357 721864632 /nfs/dbraw/zinc/86/46/32/721864632.db2.gz RTHDOYMRNMPSBH-IRXDYDNUSA-N 1 1 403.914 2.284 20 0 HEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164926357 721864636 /nfs/dbraw/zinc/86/46/36/721864636.db2.gz RTHDOYMRNMPSBH-IRXDYDNUSA-N 1 1 403.914 2.284 20 0 HEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164926356 721864747 /nfs/dbraw/zinc/86/47/47/721864747.db2.gz RTHDOYMRNMPSBH-IAGOWNOFSA-N 1 1 403.914 2.284 20 0 HEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164926356 721864749 /nfs/dbraw/zinc/86/47/49/721864749.db2.gz RTHDOYMRNMPSBH-IAGOWNOFSA-N 1 1 403.914 2.284 20 0 HEADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncccc1C(=O)N1CCc2ccccc21 ZINC001164931467 721878174 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CCC[N@@H+](CC)Cc1ccc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000741336692 1076481519 /nfs/dbraw/zinc/48/15/19/1076481519.db2.gz BUVBOLPFZGPODY-VQIMIIECSA-N 1 1 424.563 2.109 20 0 HEADMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000741338119 1076482044 /nfs/dbraw/zinc/48/20/44/1076482044.db2.gz MIDQCRJIIHKVJC-HXUWFJFHSA-N 1 1 403.523 2.202 20 0 HEADMO CC[NH+]1CCN(c2ccc(C(=O)OCc3cccc(OCC(N)=O)c3)cc2F)CC1 ZINC000741342763 1076486254 /nfs/dbraw/zinc/48/62/54/1076486254.db2.gz NUZCXYGQRUTWOJ-UHFFFAOYSA-N 1 1 415.465 2.189 20 0 HEADMO CCOC(=O)C1=C(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)NC(=O)N[C@H]1C ZINC000741352870 1076492530 /nfs/dbraw/zinc/49/25/30/1076492530.db2.gz NCXOIWJYSFUCQC-YJBOKZPZSA-N 1 1 415.490 2.103 20 0 HEADMO CCOC(=O)C1=C(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)NC(=O)N[C@H]1C ZINC000741352870 1076492533 /nfs/dbraw/zinc/49/25/33/1076492533.db2.gz NCXOIWJYSFUCQC-YJBOKZPZSA-N 1 1 415.490 2.103 20 0 HEADMO COC(=O)c1cc(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000741394364 1076509720 /nfs/dbraw/zinc/50/97/20/1076509720.db2.gz XGWQFEVEDHUBIN-OAQYLSRUSA-N 1 1 401.438 2.371 20 0 HEADMO CCn1c(CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc2ccccc21 ZINC000741406757 1076512441 /nfs/dbraw/zinc/51/24/41/1076512441.db2.gz YVRKYDAAIKYSCI-HSZRJFAPSA-N 1 1 407.518 2.492 20 0 HEADMO C[C@H](NC(=O)N1CCCC[C@H]1C1OCCO1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741430758 1076523060 /nfs/dbraw/zinc/52/30/60/1076523060.db2.gz DRVNTRFQZYNREI-IHPCNDPISA-N 1 1 403.523 2.213 20 0 HEADMO C[C@H](NC(=O)N1CCCC[C@H]1C1OCCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741430758 1076523062 /nfs/dbraw/zinc/52/30/62/1076523062.db2.gz DRVNTRFQZYNREI-IHPCNDPISA-N 1 1 403.523 2.213 20 0 HEADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2Cl)cn1 ZINC000741430304 1076523684 /nfs/dbraw/zinc/52/36/84/1076523684.db2.gz MYQYBEOSDGPRJM-HNNXBMFYSA-N 1 1 417.828 2.157 20 0 HEADMO 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C[C@H]1C[C@H](NC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC[N@H+]1C ZINC000741722497 1076593660 /nfs/dbraw/zinc/59/36/60/1076593660.db2.gz PJABPTXBUBQJKM-WMLDXEAASA-N 1 1 412.515 2.460 20 0 HEADMO C[C@@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC[N@H+]1C ZINC000741723870 1076594729 /nfs/dbraw/zinc/59/47/29/1076594729.db2.gz JJVXJRRZHCLVST-KPLTVOQBSA-N 1 1 405.564 2.298 20 0 HEADMO C[C@@H]1C[C@H](N(C)C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000741709762 1076600607 /nfs/dbraw/zinc/60/06/07/1076600607.db2.gz WQYIASTXSISXTA-YLJYHZDGSA-N 1 1 422.595 2.360 20 0 HEADMO COCCC[N@@H+](C)CCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000741726014 1076608314 /nfs/dbraw/zinc/60/83/14/1076608314.db2.gz BXVRYAYBKLWZLI-UHFFFAOYSA-N 1 1 406.552 2.293 20 0 HEADMO C[NH+]1CCC(CNC(=O)c2cc(N3CCOC3=O)ccc2F)(N2CCCCC2)CC1 ZINC000742010447 1076705608 /nfs/dbraw/zinc/70/56/08/1076705608.db2.gz LOFGAVNXQUKCOJ-UHFFFAOYSA-N 1 1 418.513 2.462 20 0 HEADMO 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CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC001170050375 1080268916 /nfs/dbraw/zinc/26/89/16/1080268916.db2.gz BBKAANUWGKDQTH-LJQANCHMSA-N 1 1 402.539 2.108 20 0 HEADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC001170050375 1080268924 /nfs/dbraw/zinc/26/89/24/1080268924.db2.gz BBKAANUWGKDQTH-LJQANCHMSA-N 1 1 402.539 2.108 20 0 HEADMO COC(=O)c1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)c(Br)c1 ZINC000785849107 1080280045 /nfs/dbraw/zinc/28/00/45/1080280045.db2.gz KDSQVIMSRQYUCG-CYBMUJFWSA-N 1 1 401.326 2.289 20 0 HEADMO CC[C@@H](OC1CCCC1)C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000785932347 1080296025 /nfs/dbraw/zinc/29/60/25/1080296025.db2.gz PTIVRDPDNHYPDT-LJQANCHMSA-N 1 1 410.555 2.419 20 0 HEADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000768044946 1080310957 /nfs/dbraw/zinc/31/09/57/1080310957.db2.gz UPAYYZMZRXFKQN-SNVBAGLBSA-N 1 1 403.708 2.284 20 0 HEADMO COC[C@H]([NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(Cl)cc1 ZINC000785960776 1080321803 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2.499 20 0 HEADMO Cc1cc[nH+]c(N2CCN(C(=O)CO[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000768285022 1080458424 /nfs/dbraw/zinc/45/84/24/1080458424.db2.gz HHGABUNTTGLLJB-SFHVURJKSA-N 1 1 418.538 2.455 20 0 HEADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000768293492 1080465226 /nfs/dbraw/zinc/46/52/26/1080465226.db2.gz BZLIREWSQAAABS-LEWJYISDSA-N 1 1 417.550 2.388 20 0 HEADMO C[C@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000768425869 1080546994 /nfs/dbraw/zinc/54/69/94/1080546994.db2.gz NJUICSDVWRQBES-IRXDYDNUSA-N 1 1 412.575 2.168 20 0 HEADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(CCO)CCNC(=O)OC(C)(C)C ZINC000768428888 1080550241 /nfs/dbraw/zinc/55/02/41/1080550241.db2.gz KYLXSYYFJLTKTL-PKOBYXMFSA-N 1 1 420.554 2.036 20 0 HEADMO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)OCC[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC000786314124 1080558937 /nfs/dbraw/zinc/55/89/37/1080558937.db2.gz QVWSGPJZBBYDET-MRXNPFEDSA-N 1 1 413.540 2.300 20 0 HEADMO 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ZINC000786604827 1080705132 /nfs/dbraw/zinc/70/51/32/1080705132.db2.gz OMCCOGYFCOFTTI-UHFFFAOYSA-N 1 1 400.910 2.474 20 0 HEADMO Cc1cccc(N2CCN(C(=O)C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000768741637 1080766787 /nfs/dbraw/zinc/76/67/87/1080766787.db2.gz OXNVNNUUQVKULO-UHFFFAOYSA-N 1 1 404.555 2.442 20 0 HEADMO Cc1cccc(N2CCN(C(=O)C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000768741637 1080766796 /nfs/dbraw/zinc/76/67/96/1080766796.db2.gz OXNVNNUUQVKULO-UHFFFAOYSA-N 1 1 404.555 2.442 20 0 HEADMO CCOC(CCNC(=O)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)OCC ZINC000786770582 1080812791 /nfs/dbraw/zinc/81/27/91/1080812791.db2.gz UJDIEZXOTOUXQN-QZTJIDSGSA-N 1 1 405.539 2.013 20 0 HEADMO CCOC(CCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)OCC ZINC000786770582 1080812794 /nfs/dbraw/zinc/81/27/94/1080812794.db2.gz UJDIEZXOTOUXQN-QZTJIDSGSA-N 1 1 405.539 2.013 20 0 HEADMO COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000786826066 1080826591 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XVHXDFPZQRHZFE-CTNGQTDRSA-N 1 1 409.486 2.256 20 0 HEADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc(N2CCOC2=O)cc1 ZINC000768920833 1080859133 /nfs/dbraw/zinc/85/91/33/1080859133.db2.gz XVHXDFPZQRHZFE-TZIWHRDSSA-N 1 1 409.486 2.256 20 0 HEADMO CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000786878096 1080866310 /nfs/dbraw/zinc/86/63/10/1080866310.db2.gz GDVNYCSPXFDOIV-FQEVSTJZSA-N 1 1 421.582 2.338 20 0 HEADMO COC(=O)C1CCN(C(=O)[C@@H](OC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)C)CC1 ZINC000786877869 1080866804 /nfs/dbraw/zinc/86/68/04/1080866804.db2.gz CPUDQHVCVSSNNN-OALUTQOASA-N 1 1 408.539 2.373 20 0 HEADMO COC(=O)C1CCN(C(=O)[C@@H](OC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)C)CC1 ZINC000786877869 1080866809 /nfs/dbraw/zinc/86/68/09/1080866809.db2.gz CPUDQHVCVSSNNN-OALUTQOASA-N 1 1 408.539 2.373 20 0 HEADMO CN(C)c1cccc(CNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000786899311 1080874987 /nfs/dbraw/zinc/87/49/87/1080874987.db2.gz LUBBWWFLHSFVNN-DEOSSOPVSA-N 1 1 408.546 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CON(C)C(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164910341 721560387 /nfs/dbraw/zinc/56/03/87/721560387.db2.gz WHOQJAOQRMDUEY-PKOBYXMFSA-N 1 1 400.454 2.196 20 0 HEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800388 721569383 /nfs/dbraw/zinc/56/93/83/721569383.db2.gz FIOPSKUUKUCOTM-TXTKFYIRSA-N 1 1 409.534 2.181 20 0 HEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164800386 721569721 /nfs/dbraw/zinc/56/97/21/721569721.db2.gz FIOPSKUUKUCOTM-MZKRTTBSSA-N 1 1 409.534 2.181 20 0 HEADMO C[NH+]1CCC(Oc2ccnc(N3CCO[C@@]4(CCCN(c5cnccn5)C4)C3)c2)CC1 ZINC001164904597 721580770 /nfs/dbraw/zinc/58/07/70/721580770.db2.gz RQRDIYPPPDXEAX-HSZRJFAPSA-N 1 1 424.549 2.220 20 0 HEADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(Cl)nc(=S)[nH]2)CC1 ZINC001165009284 721742312 /nfs/dbraw/zinc/74/23/12/721742312.db2.gz AYYMWOOYKXUEPK-UHFFFAOYSA-N 1 1 419.929 2.487 20 0 HEADMO Cc1nc2ccccc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913348 721774299 /nfs/dbraw/zinc/77/42/99/721774299.db2.gz XDUQURSCZGUREF-HSZRJFAPSA-N 1 1 405.502 2.441 20 0 HEADMO Cc1nc2ccccc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913348 721774302 /nfs/dbraw/zinc/77/43/02/721774302.db2.gz XDUQURSCZGUREF-HSZRJFAPSA-N 1 1 405.502 2.441 20 0 HEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c12 ZINC001164919884 721848315 /nfs/dbraw/zinc/84/83/15/721848315.db2.gz DUYIJWCNSVJYON-IRXDYDNUSA-N 1 1 422.533 2.274 20 0 HEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c12 ZINC001164919884 721848316 /nfs/dbraw/zinc/84/83/16/721848316.db2.gz DUYIJWCNSVJYON-IRXDYDNUSA-N 1 1 422.533 2.274 20 0 HEADMO CCOC(=O)c1sc2ncnc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164919701 721848318 /nfs/dbraw/zinc/84/83/18/721848318.db2.gz CMXHMGANOQDTHY-GJZGRUSLSA-N 1 1 403.552 2.391 20 0 HEADMO CCOC(=O)c1sc2ncnc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1C 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421.545 2.253 20 0 HEADMO CC(=O)N1CCC[C@@]2(C1)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CCO2 ZINC001164969776 722083545 /nfs/dbraw/zinc/08/35/45/722083545.db2.gz SHCINEOVBSHREA-XMMPIXPASA-N 1 1 421.545 2.253 20 0 HEADMO C[NH+]1CCN(c2nccc(N3CCC4(CC[C@H](C(=O)NCC5CC5)C4)CC3)n2)CC1 ZINC001164973673 722091935 /nfs/dbraw/zinc/09/19/35/722091935.db2.gz BXUKESNQVXZYPL-IBGZPJMESA-N 1 1 412.582 2.141 20 0 HEADMO Cc1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C(N)=O ZINC001164985155 722102159 /nfs/dbraw/zinc/10/21/59/722102159.db2.gz VCGDMYBUDGHHQU-IAGOWNOFSA-N 1 1 415.925 2.265 20 0 HEADMO CC(C)OC(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164982770 722106604 /nfs/dbraw/zinc/10/66/04/722106604.db2.gz OVXPLHDXPMGUSS-AZUAARDMSA-N 1 1 411.506 2.164 20 0 HEADMO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981361 722107671 /nfs/dbraw/zinc/10/76/71/722107671.db2.gz LEKAGVUIWBSNSR-RHSMWYFYSA-N 1 1 419.888 2.095 20 0 HEADMO 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c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cccc(N5CCOCC5)n4)CC[C@@H]3C2)c1 ZINC001164984588 722133681 /nfs/dbraw/zinc/13/36/81/722133681.db2.gz XJCSHWTVYXMBNM-NHCUHLMSSA-N 1 1 409.534 2.041 20 0 HEADMO c1nc2c(ncnc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1C1CC1 ZINC001164984251 722144281 /nfs/dbraw/zinc/14/42/81/722144281.db2.gz WZGOTQDNBDHBTQ-HKUYNNGSSA-N 1 1 405.506 2.284 20 0 HEADMO F[C@H](Oc1ccc(Cl)nn1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975310 722157167 /nfs/dbraw/zinc/15/71/67/722157167.db2.gz SCZNALNGQSVXOM-BXWFABGCSA-N 1 1 407.877 2.380 20 0 HEADMO NS(=O)(=O)c1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(F)c1 ZINC001164997808 722213763 /nfs/dbraw/zinc/21/37/63/722213763.db2.gz RYGZNBVKSFKPKU-IBGZPJMESA-N 1 1 408.474 2.252 20 0 HEADMO NS(=O)(=O)c1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(F)c1 ZINC001164997808 722213764 /nfs/dbraw/zinc/21/37/64/722213764.db2.gz RYGZNBVKSFKPKU-IBGZPJMESA-N 1 1 408.474 2.252 20 0 HEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(Oc4ccccc4)ncn2)CC3)CC1 ZINC001164996025 722230516 /nfs/dbraw/zinc/23/05/16/722230516.db2.gz ARZYUEHOGLNRMG-UHFFFAOYSA-N 1 1 417.517 2.416 20 0 HEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nccc4c5c([nH]c42)CCC5)CC3)CC1 ZINC001165001938 722239544 /nfs/dbraw/zinc/23/95/44/722239544.db2.gz PHFFWYFPWIJLHX-UHFFFAOYSA-N 1 1 403.534 2.199 20 0 HEADMO CC(C)c1c(Cl)ncnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165002203 722239651 /nfs/dbraw/zinc/23/96/51/722239651.db2.gz QYWZXTOJDZHYMX-UHFFFAOYSA-N 1 1 401.946 2.400 20 0 HEADMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000769659598 1078498715 /nfs/dbraw/zinc/49/87/15/1078498715.db2.gz HPYJKCIMOZEWJP-OAHLLOKOSA-N 1 1 404.536 2.422 20 0 HEADMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cnc1Cl ZINC000769672529 1078514060 /nfs/dbraw/zinc/51/40/60/1078514060.db2.gz LUSFWYCECITBKB-SJLPKXTDSA-N 1 1 409.939 2.205 20 0 HEADMO COC(OC)c1ccc(C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)o1 ZINC000769710999 1078531626 /nfs/dbraw/zinc/53/16/26/1078531626.db2.gz GVIUIPKKBDFDCO-UHFFFAOYSA-N 1 1 403.479 2.450 20 0 HEADMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000769755909 1078541705 /nfs/dbraw/zinc/54/17/05/1078541705.db2.gz LJEATSPKUPEGKP-MOPGFXCFSA-N 1 1 409.552 2.143 20 0 HEADMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)C1 ZINC000769779796 1078562561 /nfs/dbraw/zinc/56/25/61/1078562561.db2.gz WNBWRZUQNLIOOL-ZDUSSCGKSA-N 1 1 419.400 2.344 20 0 HEADMO C[C@@H](OC(=O)CCC1CCOCC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000745657386 1078569474 /nfs/dbraw/zinc/56/94/74/1078569474.db2.gz MAHPYMQZTATVAL-GOSISDBHSA-N 1 1 418.534 2.274 20 0 HEADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000769964607 1078655450 /nfs/dbraw/zinc/65/54/50/1078655450.db2.gz XRGZWQQGWNSVCV-QROBEVECSA-N 1 1 424.904 2.045 20 0 HEADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000769964605 1078655522 /nfs/dbraw/zinc/65/55/22/1078655522.db2.gz XRGZWQQGWNSVCV-ADYAMRHXSA-N 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CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC001168791964 1078995648 /nfs/dbraw/zinc/99/56/48/1078995648.db2.gz OYWVGVAGOGNWHJ-WIOPSUGQSA-N 1 1 424.541 2.492 20 0 HEADMO CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000770804864 1079026847 /nfs/dbraw/zinc/02/68/47/1079026847.db2.gz YNQBTRORBDYJOF-APWZRJJASA-N 1 1 416.522 2.204 20 0 HEADMO Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000766487799 1079026886 /nfs/dbraw/zinc/02/68/86/1079026886.db2.gz KPTYLXFRNFGKAX-MAUKXSAKSA-N 1 1 416.909 2.388 20 0 HEADMO Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000766487799 1079026890 /nfs/dbraw/zinc/02/68/90/1079026890.db2.gz KPTYLXFRNFGKAX-MAUKXSAKSA-N 1 1 416.909 2.388 20 0 HEADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000766476346 1079032696 /nfs/dbraw/zinc/03/26/96/1079032696.db2.gz WLUCWSMYOBYWMK-KRWDZBQOSA-N 1 1 424.586 2.130 20 0 HEADMO Cc1cc[nH+]c(N2CCN(C(=O)CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)CC2)c1 ZINC000766493067 1079030911 /nfs/dbraw/zinc/03/09/11/1079030911.db2.gz AAXDATGRIRAXLO-GOSISDBHSA-N 1 1 418.538 2.455 20 0 HEADMO C[C@@H]1C[C@H]([NH2+]C2(C(N)=O)CCN(Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168822091 1079046067 /nfs/dbraw/zinc/04/60/67/1079046067.db2.gz HIRMGYSCNXOJGC-MJGOQNOKSA-N 1 1 416.566 2.494 20 0 HEADMO C[C@H]1C[C@@H]([NH2+]C2(C(N)=O)CCN(Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168822092 1079046126 /nfs/dbraw/zinc/04/61/26/1079046126.db2.gz HIRMGYSCNXOJGC-PKOBYXMFSA-N 1 1 416.566 2.494 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168857903 1079054412 /nfs/dbraw/zinc/05/44/12/1079054412.db2.gz OHCHTDGDAOJWKM-NJNPRVFISA-N 1 1 417.554 2.403 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2C[C@H](NC(=O)c3ccno3)[C@@H]3OCCC[C@@H]32)CN1C(=O)OC(C)(C)C ZINC001168861845 1079056860 /nfs/dbraw/zinc/05/68/60/1079056860.db2.gz AMYCHELKSFRXBU-IWSXDTNSSA-N 1 1 420.510 2.034 20 0 HEADMO C[C@H]1C[C@@H]([NH+]2CCN(c3ncccc3C(=O)N(C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001168870689 1079059480 /nfs/dbraw/zinc/05/94/80/1079059480.db2.gz FCBGNIZIGQPFIB-DLBZAZTESA-N 1 1 417.554 2.303 20 0 HEADMO NC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001168847631 1079060259 /nfs/dbraw/zinc/06/02/59/1079060259.db2.gz DWHPJZDHGUVZQR-ZJOUEHCJSA-N 1 1 407.942 2.212 20 0 HEADMO C[NH+]1CCN(C(=O)c2ccnc(N[C@@H]3CCCN(C(=O)c4ccccc4)C3)c2)CC1 ZINC001168890832 1079062998 /nfs/dbraw/zinc/06/29/98/1079062998.db2.gz JFAMVCKUSZZPNQ-HXUWFJFHSA-N 1 1 407.518 2.186 20 0 HEADMO CC(C)C[C@H](C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC001168931932 1079077691 /nfs/dbraw/zinc/07/76/91/1079077691.db2.gz SKEWEHOKFUGMSM-ULNWEMDVSA-N 1 1 401.551 2.153 20 0 HEADMO COc1ccc(CN2CC[C@H]([N@H+]3C[C@@H](OCC4CC4)[C@H]4COC[C@H]43)CC2=O)cc1 ZINC001168943701 1079081823 /nfs/dbraw/zinc/08/18/23/1079081823.db2.gz ZQHWJQPJEYHTBV-VXSCBNMQSA-N 1 1 400.519 2.312 20 0 HEADMO COc1ccc(CN2CC[C@H]([N@H+]3CCC[C@H](NC(=O)NC(C)C)C3)CC2=O)cc1 ZINC001168953679 1079086156 /nfs/dbraw/zinc/08/61/56/1079086156.db2.gz LHIMSYAGSDDVRG-OALUTQOASA-N 1 1 402.539 2.358 20 0 HEADMO CCn1nnc2c1CC[N@H+]([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)[C@H]2COC ZINC001168928560 1079087250 /nfs/dbraw/zinc/08/72/50/1079087250.db2.gz DEMSXJJQFPJAMK-XLIONFOSSA-N 1 1 413.522 2.043 20 0 HEADMO CCn1nnc2c1CC[N@@H+]([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)[C@H]2COC ZINC001168928560 1079087259 /nfs/dbraw/zinc/08/72/59/1079087259.db2.gz DEMSXJJQFPJAMK-XLIONFOSSA-N 1 1 413.522 2.043 20 0 HEADMO COc1ccccc1-n1c(C)nnc1SCC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001168929717 1079088219 /nfs/dbraw/zinc/08/82/19/1079088219.db2.gz KDLUUOQKFDQQNL-OYRHEFFESA-N 1 1 415.563 2.477 20 0 HEADMO COC[C@@H]1CCCC[N@@H+](C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1 ZINC001169006119 1079098118 /nfs/dbraw/zinc/09/81/18/1079098118.db2.gz YYJOVCLKCLHXQR-IEBWSBKVSA-N 1 1 417.506 2.147 20 0 HEADMO CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001169040252 1079107544 /nfs/dbraw/zinc/10/75/44/1079107544.db2.gz AKXSTQBCJBRSRL-XWQURZDVSA-N 1 1 415.534 2.232 20 0 HEADMO CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001169040252 1079107548 /nfs/dbraw/zinc/10/75/48/1079107548.db2.gz AKXSTQBCJBRSRL-XWQURZDVSA-N 1 1 415.534 2.232 20 0 HEADMO C[NH+](C)CC1(O)CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC001169040555 1079107927 /nfs/dbraw/zinc/10/79/27/1079107927.db2.gz FOMGASDDVIGMAW-UHFFFAOYSA-N 1 1 407.312 2.368 20 0 HEADMO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C1)C2 ZINC001170020683 1079110881 /nfs/dbraw/zinc/11/08/81/1079110881.db2.gz QURJZUOWEWUUAE-SFFUCWETSA-N 1 1 424.611 2.112 20 0 HEADMO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C1)C2 ZINC001170020683 1079110882 /nfs/dbraw/zinc/11/08/82/1079110882.db2.gz QURJZUOWEWUUAE-SFFUCWETSA-N 1 1 424.611 2.112 20 0 HEADMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C1)C2 ZINC001170020683 1079110884 /nfs/dbraw/zinc/11/08/84/1079110884.db2.gz QURJZUOWEWUUAE-SFFUCWETSA-N 1 1 424.611 2.112 20 0 HEADMO CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000766580082 1079120562 /nfs/dbraw/zinc/12/05/62/1079120562.db2.gz AGUJFOITVTZMRH-MJGOQNOKSA-N 1 1 416.522 2.202 20 0 HEADMO CC(C)(C)OC(=O)NCC[N@@H+](CCO)C[C@H](O)COc1ccccc1C(F)(F)F ZINC001169077972 1079131524 /nfs/dbraw/zinc/13/15/24/1079131524.db2.gz DFHYMMLVFOUJSG-AWEZNQCLSA-N 1 1 422.444 2.264 20 0 HEADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cc(=O)[nH]c(C3CCC3)n2)[C@@H](c2cnn(C)c2)C1 ZINC001169084516 1079133561 /nfs/dbraw/zinc/13/35/61/1079133561.db2.gz NGWQNICYDBSCHM-RBUKOAKNSA-N 1 1 412.538 2.314 20 0 HEADMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(-n4cnc5ccccc54)nc3)CC[C@H]21 ZINC000766586669 1079139279 /nfs/dbraw/zinc/13/92/79/1079139279.db2.gz UGKVOTZZHWOGJQ-QFBILLFUSA-N 1 1 418.501 2.302 20 0 HEADMO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000771094768 1079148738 /nfs/dbraw/zinc/14/87/38/1079148738.db2.gz KNUMMNKGYBOYTB-HZPDHXFCSA-N 1 1 410.584 2.456 20 0 HEADMO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccccn4)[C@@H]3C1)C2 ZINC001169133471 1079152218 /nfs/dbraw/zinc/15/22/18/1079152218.db2.gz GVLXIMVWXRFUHP-UKIRVEGOSA-N 1 1 412.578 2.093 20 0 HEADMO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccccn4)[C@@H]3C1)C2 ZINC001169133471 1079152221 /nfs/dbraw/zinc/15/22/21/1079152221.db2.gz GVLXIMVWXRFUHP-UKIRVEGOSA-N 1 1 412.578 2.093 20 0 HEADMO COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ncnc3[nH]cc([S@@](C)=O)c32)c2ccccc12 ZINC001169106188 1079156644 /nfs/dbraw/zinc/15/66/44/1079156644.db2.gz QMGLLXYWUDHVLC-AFJIDDCJSA-N 1 1 411.487 2.072 20 0 HEADMO COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccc(=O)n(Cc3ccncc3)n2)c2ccccc12 ZINC001169115154 1079162342 /nfs/dbraw/zinc/16/23/42/1079162342.db2.gz HIFGYYJWGLWQEU-HSZRJFAPSA-N 1 1 417.469 2.063 20 0 HEADMO COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccc3c(c2)-n2c(noc2=O)CO3)c2ccccc12 ZINC001169115381 1079162695 /nfs/dbraw/zinc/16/26/95/1079162695.db2.gz HWVCDTGNCAMFEW-QFIPXVFZSA-N 1 1 420.425 2.095 20 0 HEADMO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cc3c(C)nc(-c4ncccn4)[nH]c3=O)C2)c1 ZINC001169149446 1079165838 /nfs/dbraw/zinc/16/58/38/1079165838.db2.gz KHKUWMHYFUTTPO-SFHVURJKSA-N 1 1 418.501 2.189 20 0 HEADMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)Cc3c(C)nc(-c4ncccn4)[nH]c3=O)C2)c1 ZINC001169149446 1079165849 /nfs/dbraw/zinc/16/58/49/1079165849.db2.gz KHKUWMHYFUTTPO-SFHVURJKSA-N 1 1 418.501 2.189 20 0 HEADMO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000766610602 1079165962 /nfs/dbraw/zinc/16/59/62/1079165962.db2.gz WKUHACUYWKMQTD-UHFFFAOYSA-N 1 1 423.517 2.159 20 0 HEADMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)c1 ZINC001169150786 1079167425 /nfs/dbraw/zinc/16/74/25/1079167425.db2.gz WDXXRYLQUIXTTA-YYDVJCTNSA-N 1 1 417.550 2.446 20 0 HEADMO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169190653 1079178988 /nfs/dbraw/zinc/17/89/88/1079178988.db2.gz IWXKPSBEPDMNON-KRWDZBQOSA-N 1 1 409.534 2.359 20 0 HEADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000746377689 1079181671 /nfs/dbraw/zinc/18/16/71/1079181671.db2.gz COUHKVRJILSENY-RBBKRZOGSA-N 1 1 423.561 2.139 20 0 HEADMO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 ZINC001169175255 1079189295 /nfs/dbraw/zinc/18/92/95/1079189295.db2.gz CBTOYOGLXZXDGD-XGHQBKJUSA-N 1 1 406.527 2.422 20 0 HEADMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](C)CCc1ccc(F)cc1 ZINC001169207637 1079195528 /nfs/dbraw/zinc/19/55/28/1079195528.db2.gz LCJGXNIRRNEMGP-INIZCTEOSA-N 1 1 415.513 2.306 20 0 HEADMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@@H]1c1nccs1 ZINC001169207657 1079195738 /nfs/dbraw/zinc/19/57/38/1079195738.db2.gz LEXKFUQPSHDLPC-LSDHHAIUSA-N 1 1 416.551 2.286 20 0 HEADMO 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404.413 2.196 20 0 HEADMO CCC[N@@H+]1Cc2cccc(NC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)c2C1 ZINC000741185489 1076399815 /nfs/dbraw/zinc/39/98/15/1076399815.db2.gz UTRKZZAZJVQNCB-UHFFFAOYSA-N 1 1 416.522 2.430 20 0 HEADMO CCC[N@H+]1Cc2cccc(NC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)c2C1 ZINC000741185489 1076399817 /nfs/dbraw/zinc/39/98/17/1076399817.db2.gz UTRKZZAZJVQNCB-UHFFFAOYSA-N 1 1 416.522 2.430 20 0 HEADMO Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1N1C(=O)CCC1=O ZINC000741188298 1076401174 /nfs/dbraw/zinc/40/11/74/1076401174.db2.gz HOEUQWQGRXIUMY-FQEVSTJZSA-N 1 1 407.470 2.488 20 0 HEADMO Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1N1C(=O)CCC1=O ZINC000741188298 1076401182 /nfs/dbraw/zinc/40/11/82/1076401182.db2.gz HOEUQWQGRXIUMY-FQEVSTJZSA-N 1 1 407.470 2.488 20 0 HEADMO CCc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnn1-c1ccc(OC(C)C)cc1 ZINC000741209274 1076404299 /nfs/dbraw/zinc/40/42/99/1076404299.db2.gz IXNVZICJOBXREX-IEBWSBKVSA-N 1 1 413.522 2.210 20 0 HEADMO 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O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)Nc1ccc(N2CCOC2=O)cc1 ZINC000741391947 1076519024 /nfs/dbraw/zinc/51/90/24/1076519024.db2.gz JDVMGNDTSCZGGC-JOCHJYFZSA-N 1 1 410.474 2.402 20 0 HEADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000741587072 1076546663 /nfs/dbraw/zinc/54/66/63/1076546663.db2.gz VIOPLOGZLKHOMV-UDRNGCBJSA-N 1 1 419.591 2.498 20 0 HEADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)[C@@H](C)C1 ZINC000741586849 1076546675 /nfs/dbraw/zinc/54/66/75/1076546675.db2.gz BIKDYHRQCUCUNC-YOEHRIQHSA-N 1 1 407.536 2.042 20 0 HEADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)[C@@H](C)C1 ZINC000741590287 1076547351 /nfs/dbraw/zinc/54/73/51/1076547351.db2.gz PMLMYYCLKBRVII-BBRMVZONSA-N 1 1 417.959 2.324 20 0 HEADMO COCCOc1ccc(-n2nc(C)c(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)n2)cc1 ZINC000741592573 1076548856 /nfs/dbraw/zinc/54/88/56/1076548856.db2.gz SUXXCPBINHTSOX-YJBOKZPZSA-N 1 1 401.511 2.156 20 0 HEADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000741578114 1076551324 /nfs/dbraw/zinc/55/13/24/1076551324.db2.gz FDLCEDOIUWYIFB-BXUZGUMPSA-N 1 1 403.342 2.265 20 0 HEADMO COCCOc1ccc(-n2nc(C)c(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)n2)cc1 ZINC000741584915 1076554449 /nfs/dbraw/zinc/55/44/49/1076554449.db2.gz LPVPHJDBKOJXRJ-DNVCBOLYSA-N 1 1 401.511 2.013 20 0 HEADMO Cc1ccc(N2CC[C@H](NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000741721002 1076592931 /nfs/dbraw/zinc/59/29/31/1076592931.db2.gz UBGMBULQFIILSW-QFIPXVFZSA-N 1 1 406.530 2.034 20 0 HEADMO Cc1ccc(N2CC[C@@H](NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000741721000 1076593367 /nfs/dbraw/zinc/59/33/67/1076593367.db2.gz UBGMBULQFIILSW-JOCHJYFZSA-N 1 1 406.530 2.034 20 0 HEADMO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)[C@H](C)C(C)C ZINC000741788154 1076627778 /nfs/dbraw/zinc/62/77/78/1076627778.db2.gz OLENMGXJWOYNNM-JVCXIRSZSA-N 1 1 407.580 2.498 20 0 HEADMO 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ZINC000742070116 1076734555 /nfs/dbraw/zinc/73/45/55/1076734555.db2.gz XPJKMIDDUQEDIA-DLBZAZTESA-N 1 1 409.600 2.430 20 0 HEADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000742135525 1076750953 /nfs/dbraw/zinc/75/09/53/1076750953.db2.gz GOOSLBJCDGHEIK-GFCCVEGCSA-N 1 1 418.357 2.043 20 0 HEADMO COC1CCC([N@@H+](C)CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)CC1 ZINC000742149641 1076766121 /nfs/dbraw/zinc/76/61/21/1076766121.db2.gz NDFWWZMWCDHBDT-UHFFFAOYSA-N 1 1 424.542 2.155 20 0 HEADMO Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CC[N@H+](C)[C@H](C)C3)CC2)c(C)c1 ZINC000742194929 1076783024 /nfs/dbraw/zinc/78/30/24/1076783024.db2.gz LMPFPRHHGLIYLV-GOSISDBHSA-N 1 1 407.580 2.175 20 0 HEADMO Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CC[N@@H+](C)[C@H](C)C3)CC2)c(C)c1 ZINC000742194929 1076783031 /nfs/dbraw/zinc/78/30/31/1076783031.db2.gz LMPFPRHHGLIYLV-GOSISDBHSA-N 1 1 407.580 2.175 20 0 HEADMO C[C@H]1CN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC[N@@H+]1C ZINC000742196513 1076784903 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CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000746462158 1079013961 /nfs/dbraw/zinc/01/39/61/1079013961.db2.gz LPDSWMBCEHZHQX-OAQYLSRUSA-N 1 1 412.534 2.444 20 0 HEADMO COc1ccc(Cc2nn(CN3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)c(=S)o2)cc1 ZINC000738213635 1079016922 /nfs/dbraw/zinc/01/69/22/1079016922.db2.gz KUXRPJILMIMZSM-GOSISDBHSA-N 1 1 417.579 2.474 20 0 HEADMO Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000766487802 1079026937 /nfs/dbraw/zinc/02/69/37/1079026937.db2.gz KPTYLXFRNFGKAX-QAPCUYQASA-N 1 1 416.909 2.388 20 0 HEADMO Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000766487802 1079026940 /nfs/dbraw/zinc/02/69/40/1079026940.db2.gz KPTYLXFRNFGKAX-QAPCUYQASA-N 1 1 416.909 2.388 20 0 HEADMO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]C1(C(N)=O)CCCC1)C[C@H](C)CC2 ZINC000746476004 1079029992 /nfs/dbraw/zinc/02/99/92/1079029992.db2.gz YYNRYTOEIVDARQ-GFCCVEGCSA-N 1 1 407.536 2.376 20 0 HEADMO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](CO)C[C@@H](O)c3ccccc3)cc2F)CC1 ZINC000770844141 1079034087 /nfs/dbraw/zinc/03/40/87/1079034087.db2.gz ZJIOTORFSVTFSM-DENIHFKCSA-N 1 1 415.509 2.182 20 0 HEADMO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 ZINC001168802237 1079042218 /nfs/dbraw/zinc/04/22/18/1079042218.db2.gz WUNFCXJLHIPPRE-GXTWGEPZSA-N 1 1 421.519 2.248 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168859361 1079055218 /nfs/dbraw/zinc/05/52/18/1079055218.db2.gz RRNRTFBYTSHNQK-WJFTUGDTSA-N 1 1 417.554 2.402 20 0 HEADMO C[C@@H]1C[C@H]([N@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168857900 1079054394 /nfs/dbraw/zinc/05/43/94/1079054394.db2.gz OHCHTDGDAOJWKM-KGVIQGDOSA-N 1 1 417.554 2.403 20 0 HEADMO C[C@@H]1C[C@H]([N@@H+]2CCc3ncc(Cn4cccn4)n3CC2)CN1C(=O)OC(C)(C)C ZINC001168858433 1079054788 /nfs/dbraw/zinc/05/47/88/1079054788.db2.gz QFKVSOWVKIHMKO-SJORKVTESA-N 1 1 400.527 2.384 20 0 HEADMO COc1cc(OC)nc(CN2CC[NH+]([C@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC001168861820 1079056598 /nfs/dbraw/zinc/05/65/98/1079056598.db2.gz AKPVOWWUNYIQTD-HOTGVXAUSA-N 1 1 421.542 2.009 20 0 HEADMO C[C@@H]1C[C@H](N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865467 1079057725 /nfs/dbraw/zinc/05/77/25/1079057725.db2.gz MRPNEPZLHSDNPU-GFEQUFNTSA-N 1 1 404.559 2.071 20 0 HEADMO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865467 1079057730 /nfs/dbraw/zinc/05/77/30/1079057730.db2.gz MRPNEPZLHSDNPU-GFEQUFNTSA-N 1 1 404.559 2.071 20 0 HEADMO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865467 1079057735 /nfs/dbraw/zinc/05/77/35/1079057735.db2.gz MRPNEPZLHSDNPU-GFEQUFNTSA-N 1 1 404.559 2.071 20 0 HEADMO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168868102 1079058165 /nfs/dbraw/zinc/05/81/65/1079058165.db2.gz QPWUZXAFQOBXCN-VWKPWSFCSA-N 1 1 403.527 2.247 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)CN1C(=O)OC(C)(C)C ZINC001168869044 1079059058 /nfs/dbraw/zinc/05/90/58/1079059058.db2.gz VRBZDYWEZWFVPF-VXCZRNDOSA-N 1 1 407.555 2.392 20 0 HEADMO C[C@@H]1C[C@@H]([NH+]2CCN(c3ncccc3C(=O)N(C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001168870690 1079059934 /nfs/dbraw/zinc/05/99/34/1079059934.db2.gz FCBGNIZIGQPFIB-IAGOWNOFSA-N 1 1 417.554 2.303 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2CCc3ncnc(N4CCOCC4)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168850588 1079061569 /nfs/dbraw/zinc/06/15/69/1079061569.db2.gz QPOKYIUSBIEFIB-DLBZAZTESA-N 1 1 417.554 2.112 20 0 HEADMO C[C@@H]1CN(C(=O)NCc2ccc(-n3cncn3)nc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000766521274 1079067101 /nfs/dbraw/zinc/06/71/01/1079067101.db2.gz HEODFUQFFCTIOF-MSOLQXFVSA-N 1 1 405.506 2.467 20 0 HEADMO CC(C)[N@@H+](C[C@H](O)COc1ccc(CC(N)=O)cc1)C[C@@H]1COC2(CCCCC2)O1 ZINC001168873247 1079065518 /nfs/dbraw/zinc/06/55/18/1079065518.db2.gz MJPYWDWSRKPZEY-PZJWPPBQSA-N 1 1 420.550 2.240 20 0 HEADMO COc1ccc(CN2CC[C@H]([N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)CC2=O)cc1 ZINC001168926592 1079069746 /nfs/dbraw/zinc/06/97/46/1079069746.db2.gz KPWQAJRSSIZIDI-ZCNNSNEGSA-N 1 1 407.514 2.467 20 0 HEADMO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC(=O)c2ccccc2)C[C@H]1C(=O)N1CCSC1 ZINC001170019479 1079083147 /nfs/dbraw/zinc/08/31/47/1079083147.db2.gz JBERPDNBUUCZID-IRXDYDNUSA-N 1 1 419.547 2.370 20 0 HEADMO COc1ccc(CN2CC[C@@H]([N@H+]3CCN(Cc4ccccc4)[C@H](CO)C3)CC2=O)cc1 ZINC001168927899 1079086581 /nfs/dbraw/zinc/08/65/81/1079086581.db2.gz VEGQEILNVQKMHW-PKTZIBPZSA-N 1 1 423.557 2.365 20 0 HEADMO COCCOC(=O)Nc1cccc(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000746167412 1079092411 /nfs/dbraw/zinc/09/24/11/1079092411.db2.gz XCBFWHXCNXYDAO-QFIPXVFZSA-N 1 1 413.474 2.457 20 0 HEADMO CC(C)c1ccc(C[C@H]2CC[N@@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)cc1 ZINC001168968662 1079093341 /nfs/dbraw/zinc/09/33/41/1079093341.db2.gz LGBLWLWTQMPFIJ-LJQANCHMSA-N 1 1 421.607 2.215 20 0 HEADMO C[C@](O)(C1CC[NH+]([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)CC1)C(F)(F)F ZINC001169013934 1079099855 /nfs/dbraw/zinc/09/98/55/1079099855.db2.gz KPLSNPOLROLEJR-LMMKCTJWSA-N 1 1 416.440 2.394 20 0 HEADMO COC(=O)[C@@](C)([NH3+])Cc1cn(-c2nc(Cl)nc3c2COC3=O)c2ccccc12 ZINC001169106059 1079127407 /nfs/dbraw/zinc/12/74/07/1079127407.db2.gz PDJMSMSCHGXVHX-IBGZPJMESA-N 1 1 400.822 2.177 20 0 HEADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC[C@@H]21 ZINC000766581892 1079132253 /nfs/dbraw/zinc/13/22/53/1079132253.db2.gz GRMGAEUCPZXSGT-KDOFPFPSSA-N 1 1 406.477 2.446 20 0 HEADMO O=C(Cc1cnn(-c2ccccc2)n1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000766586025 1079135650 /nfs/dbraw/zinc/13/56/50/1079135650.db2.gz ZNYZSAFXKJHLGP-UHFFFAOYSA-N 1 1 424.936 2.402 20 0 HEADMO COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000766587187 1079136734 /nfs/dbraw/zinc/13/67/34/1079136734.db2.gz WUFSNBCZGGKVJC-CRAIPNDOSA-N 1 1 401.507 2.018 20 0 HEADMO COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000766587189 1079136813 /nfs/dbraw/zinc/13/68/13/1079136813.db2.gz WUFSNBCZGGKVJC-QAPCUYQASA-N 1 1 401.507 2.018 20 0 HEADMO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000766586729 1079137182 /nfs/dbraw/zinc/13/71/82/1079137182.db2.gz VGGCTTJUMDNAOS-VQIMIIECSA-N 1 1 400.523 2.050 20 0 HEADMO CCC1(CC)[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C[C@@H]1OC ZINC000766600226 1079146573 /nfs/dbraw/zinc/14/65/73/1079146573.db2.gz GKJOLGJNMHDCRH-PMACEKPBSA-N 1 1 416.566 2.477 20 0 HEADMO COC(=O)c1ncc(Cl)nc1-n1cc(C[C@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169106259 1079156682 /nfs/dbraw/zinc/15/66/82/1079156682.db2.gz SFJHCILQEACFCQ-IBGZPJMESA-N 1 1 402.838 2.293 20 0 HEADMO COC(=O)c1ncc(Cl)nc1-n1cc(C[C@@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169106260 1079156748 /nfs/dbraw/zinc/15/67/48/1079156748.db2.gz SFJHCILQEACFCQ-LJQANCHMSA-N 1 1 402.838 2.293 20 0 HEADMO COC(=O)c1cc(F)c(OC)nc1-n1cc(C[C@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169106713 1079157267 /nfs/dbraw/zinc/15/72/67/1079157267.db2.gz ZBSXJDVQFXBENA-NRFANRHFSA-N 1 1 415.421 2.393 20 0 HEADMO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000771115843 1079159690 /nfs/dbraw/zinc/15/96/90/1079159690.db2.gz DOCYPHZFARWNTN-LJQANCHMSA-N 1 1 404.555 2.354 20 0 HEADMO COC(=O)[C@@](C)([NH3+])Cc1cn(-c2cc(C(N)=S)nc(C3CC3)n2)c2ccccc12 ZINC001169112486 1079159908 /nfs/dbraw/zinc/15/99/08/1079159908.db2.gz ASYKBDIITZMFKH-NRFANRHFSA-N 1 1 409.515 2.365 20 0 HEADMO CCOC(=O)c1ncn2cc(-n3cc(C[C@](C)([NH3+])C(=O)OC)c4ccccc43)cnc12 ZINC001169114332 1079161590 /nfs/dbraw/zinc/16/15/90/1079161590.db2.gz IWOFICMJTHXFBA-QFIPXVFZSA-N 1 1 421.457 2.283 20 0 HEADMO CCS(=O)(=O)c1ccc(-n2cc(C[C@](C)([NH3+])C(=O)OC)c3ccccc32)nc1 ZINC001169115121 1079161887 /nfs/dbraw/zinc/16/18/87/1079161887.db2.gz GNJRASLMRYFITJ-FQEVSTJZSA-N 1 1 401.488 2.252 20 0 HEADMO COC(=O)[C@@H](N)Cc1ccc(-n2cc(C[C@@](C)([NH3+])C(=O)OC)c3ccccc32)cc1 ZINC001169114483 1079162205 /nfs/dbraw/zinc/16/22/05/1079162205.db2.gz KLXUJOYDJACWCB-WMZHIEFXSA-N 1 1 409.486 2.106 20 0 HEADMO CC1(C)C[C@H](Nc2ccc(F)c(S(=O)(=O)NCc3c[nH]nn3)c2)C[C@@](C)(C[NH3+])C1 ZINC001169145719 1079165161 /nfs/dbraw/zinc/16/51/61/1079165161.db2.gz GUMXXDCSJNYVGR-IFXJQAMLSA-N 1 1 424.546 2.378 20 0 HEADMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)C2)c1 ZINC001169150783 1079166750 /nfs/dbraw/zinc/16/67/50/1079166750.db2.gz WDXXRYLQUIXTTA-SFYKDHMMSA-N 1 1 417.550 2.446 20 0 HEADMO COC(=O)N(C)Cc1ccc(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000771156102 1079171023 /nfs/dbraw/zinc/17/10/23/1079171023.db2.gz DTZRUJBKUMYCQJ-UHFFFAOYSA-N 1 1 405.543 2.422 20 0 HEADMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001169203166 1079184400 /nfs/dbraw/zinc/18/44/00/1079184400.db2.gz UAUQBVKPWDBOEA-FUHWJXTLSA-N 1 1 410.522 2.225 20 0 HEADMO 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CCCNC(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164806242 721579459 /nfs/dbraw/zinc/57/94/59/721579459.db2.gz MPCDLZBMPSHFGP-JAXLGGSGSA-N 1 1 409.534 2.485 20 0 HEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ncn3C2CC2)[C@H]2CCCO[C@@H]12 ZINC001164805233 721580022 /nfs/dbraw/zinc/58/00/22/721580022.db2.gz LDPMYJXJSGMZQT-NLWGTHIKSA-N 1 1 405.506 2.424 20 0 HEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ncn3C2CC2)[C@H]2CCCO[C@@H]12 ZINC001164805233 721580026 /nfs/dbraw/zinc/58/00/26/721580026.db2.gz LDPMYJXJSGMZQT-NLWGTHIKSA-N 1 1 405.506 2.424 20 0 HEADMO Cc1ccc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912726 721774975 /nfs/dbraw/zinc/77/49/75/721774975.db2.gz OXWFLPMAZLGMIC-HSZRJFAPSA-N 1 1 405.502 2.441 20 0 HEADMO Cc1ccc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912726 721774978 /nfs/dbraw/zinc/77/49/78/721774978.db2.gz OXWFLPMAZLGMIC-HSZRJFAPSA-N 1 1 405.502 2.441 20 0 HEADMO Fc1ccc2cnnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164915597 721784645 /nfs/dbraw/zinc/78/46/45/721784645.db2.gz LUPUEKCLPNHIPU-QFIPXVFZSA-N 1 1 409.465 2.272 20 0 HEADMO Fc1ccc2cnnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164915597 721784649 /nfs/dbraw/zinc/78/46/49/721784649.db2.gz LUPUEKCLPNHIPU-QFIPXVFZSA-N 1 1 409.465 2.272 20 0 HEADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@]4(CCN(c5cncnc5)C4=O)C3)c2)CC1 ZINC001165024299 721785517 /nfs/dbraw/zinc/78/55/17/721785517.db2.gz VORYDZNGALXQBD-QHCPKHFHSA-N 1 1 422.533 2.368 20 0 HEADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)C[C@H]32)cc1 ZINC001165027461 721796810 /nfs/dbraw/zinc/79/68/10/721796810.db2.gz VUWOVKCVMIPSMJ-FGZHOGPDSA-N 1 1 422.529 2.301 20 0 HEADMO Cc1cc2c(c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n1)C(=O)NC2=O ZINC001165024543 721822706 /nfs/dbraw/zinc/82/27/06/721822706.db2.gz KKBPGGJYWUMXQA-ZYSHUDEJSA-N 1 1 405.502 2.406 20 0 HEADMO 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CCOC(=O)c1cn2nc([C@@H]3CCC[N@H+]([C@H]4CCCN(C(C)=O)C4)C3)sc2n1 ZINC001169638013 1079350565 /nfs/dbraw/zinc/35/05/65/1079350565.db2.gz CIUJSBXEEKVQES-CABCVRRESA-N 1 1 405.524 2.158 20 0 HEADMO Cc1cc2c(nccc2NC[C@@H]2COCC[N@H+]2C)n1S(=O)(=O)c1ccccc1 ZINC001169654410 1079357413 /nfs/dbraw/zinc/35/74/13/1079357413.db2.gz QUYQWTXJCUORBL-MRXNPFEDSA-N 1 1 400.504 2.324 20 0 HEADMO Cc1cc2c(nccc2NC[C@@H]2COCC[N@@H+]2C)n1S(=O)(=O)c1ccccc1 ZINC001169654410 1079357424 /nfs/dbraw/zinc/35/74/24/1079357424.db2.gz QUYQWTXJCUORBL-MRXNPFEDSA-N 1 1 400.504 2.324 20 0 HEADMO CC(=O)N[C@@H](CC(=O)N1CC[NH+](CCc2ccncc2)CC1)c1ccc(F)cc1F ZINC001169678687 1079365337 /nfs/dbraw/zinc/36/53/37/1079365337.db2.gz KTJHMENLAYIXKF-NRFANRHFSA-N 1 1 416.472 2.314 20 0 HEADMO CCOC(=O)N1CCC[C@@H]([N@H+]2Cc3nccn3C[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC001169684427 1079367034 /nfs/dbraw/zinc/36/70/34/1079367034.db2.gz DUZBMTMCWKMFQH-RTBURBONSA-N 1 1 415.542 2.234 20 0 HEADMO CCOC(=O)N1CCC[C@@H]([N@@H+]2Cc3nccn3C[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC001169684427 1079367036 /nfs/dbraw/zinc/36/70/36/1079367036.db2.gz DUZBMTMCWKMFQH-RTBURBONSA-N 1 1 415.542 2.234 20 0 HEADMO CCOC(=O)N1CCC[C@H]([N@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)CC1 ZINC001169685282 1079367947 /nfs/dbraw/zinc/36/79/47/1079367947.db2.gz ITCVJZSGGZLMQY-GHTZIAJQSA-N 1 1 403.527 2.016 20 0 HEADMO CCOC(=O)N1CCC[C@H]([N@H+]2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)CC1 ZINC001169688756 1079370155 /nfs/dbraw/zinc/37/01/55/1079370155.db2.gz ZUXAZEQTHZZTKR-RAUXBKROSA-N 1 1 419.522 2.386 20 0 HEADMO CCOC(=O)N1CCC[C@H]([N@H+]2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)CC1 ZINC001169695338 1079375737 /nfs/dbraw/zinc/37/57/37/1079375737.db2.gz WFKKRJSZKQSASH-LAUBAEHRSA-N 1 1 401.511 2.307 20 0 HEADMO CCOC(=O)N1CCC[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)CC1 ZINC001169695330 1079375830 /nfs/dbraw/zinc/37/58/30/1079375830.db2.gz XHWFQWDCQLXHEH-GCJKJVERSA-N 1 1 415.538 2.416 20 0 HEADMO CCCN(C(=O)c1ccccc1NC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000771534577 1079373448 /nfs/dbraw/zinc/37/34/48/1079373448.db2.gz WZNFQASWXJRFRZ-UHFFFAOYSA-N 1 1 417.554 2.233 20 0 HEADMO CCOC(=O)N1CCC[C@@H]([N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)N2CCCC2)CCO3)CC1 ZINC001169694185 1079374327 /nfs/dbraw/zinc/37/43/27/1079374327.db2.gz OXPDKGYALTUHQM-NNMXDRDESA-N 1 1 422.570 2.426 20 0 HEADMO CCOC(=O)N1CCC[C@H]([N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)N2CCCC2)CCO3)CC1 ZINC001169694183 1079374415 /nfs/dbraw/zinc/37/44/15/1079374415.db2.gz OXPDKGYALTUHQM-CNNODRBYSA-N 1 1 422.570 2.426 20 0 HEADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)CC1 ZINC000804337356 1079390045 /nfs/dbraw/zinc/39/00/45/1079390045.db2.gz YOMSMDUTDDNVKK-KDOFPFPSSA-N 1 1 409.914 2.003 20 0 HEADMO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000771599628 1079392568 /nfs/dbraw/zinc/39/25/68/1079392568.db2.gz MCPKCFNHQLFWGI-MRXNPFEDSA-N 1 1 424.469 2.451 20 0 HEADMO O=C(c1ccccc1)N1CCC[C@H]([N@@H+]2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)C1 ZINC001169769186 1079402152 /nfs/dbraw/zinc/40/21/52/1079402152.db2.gz DJJNNGQIYQSWAR-SFTDATJTSA-N 1 1 421.545 2.242 20 0 HEADMO O=C(c1ccccc1)N1CCC[C@H]([N@H+]2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)C1 ZINC001169769186 1079402158 /nfs/dbraw/zinc/40/21/58/1079402158.db2.gz DJJNNGQIYQSWAR-SFTDATJTSA-N 1 1 421.545 2.242 20 0 HEADMO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)C1 ZINC001169769184 1079402297 /nfs/dbraw/zinc/40/22/97/1079402297.db2.gz DJJNNGQIYQSWAR-NHCUHLMSSA-N 1 1 421.545 2.242 20 0 HEADMO O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)C1 ZINC001169769184 1079402303 /nfs/dbraw/zinc/40/23/03/1079402303.db2.gz DJJNNGQIYQSWAR-NHCUHLMSSA-N 1 1 421.545 2.242 20 0 HEADMO CC(C)NC(=O)[C@@H]1Cn2nccc2C[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169772314 1079407330 /nfs/dbraw/zinc/40/73/30/1079407330.db2.gz SDLUOUUEEGTENO-VQTJNVASSA-N 1 1 409.534 2.144 20 0 HEADMO CC(C)NC(=O)[C@@H]1Cn2nccc2C[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169772314 1079407338 /nfs/dbraw/zinc/40/73/38/1079407338.db2.gz SDLUOUUEEGTENO-VQTJNVASSA-N 1 1 409.534 2.144 20 0 HEADMO O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)C1 ZINC001169773998 1079410435 /nfs/dbraw/zinc/41/04/35/1079410435.db2.gz XVKNNXVYVZCVPX-BDTNDASRSA-N 1 1 404.514 2.277 20 0 HEADMO CCc1nc2ccccc2n1C1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000771627562 1079412288 /nfs/dbraw/zinc/41/22/88/1079412288.db2.gz PKBSZOPRGMIANS-UHFFFAOYSA-N 1 1 411.506 2.294 20 0 HEADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C=C2CCSCC2)cc1 ZINC000771655109 1079425942 /nfs/dbraw/zinc/42/59/42/1079425942.db2.gz XDHOORBLCXXNKN-UHFFFAOYSA-N 1 1 402.564 2.289 20 0 HEADMO Cc1ccccc1[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)CC[NH2+]1 ZINC001169829146 1079424329 /nfs/dbraw/zinc/42/43/29/1079424329.db2.gz AHEOBKIWLARDHZ-HXUWFJFHSA-N 1 1 401.532 2.468 20 0 HEADMO Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC[NH2+]1 ZINC001169829909 1079424356 /nfs/dbraw/zinc/42/43/56/1079424356.db2.gz FEOOXPJJWILIPB-ZWKOTPCHSA-N 1 1 419.572 2.383 20 0 HEADMO CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@H](C)CCN3CC[NH+](C)CC3)C2=O)cc1 ZINC000771657470 1079428296 /nfs/dbraw/zinc/42/82/96/1079428296.db2.gz NGTGYVHCBABKOR-NQIIRXRSSA-N 1 1 400.567 2.305 20 0 HEADMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1 ZINC000771663242 1079432248 /nfs/dbraw/zinc/43/22/48/1079432248.db2.gz JDOGWTGRQSKYTL-UHFFFAOYSA-N 1 1 418.563 2.028 20 0 HEADMO CS(=O)(=O)C1CCC([N@@H+]2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)CC1 ZINC001169879400 1079452344 /nfs/dbraw/zinc/45/23/44/1079452344.db2.gz AMMCACJKPOSCMM-LEOMRAHMSA-N 1 1 414.522 2.370 20 0 HEADMO CS(=O)(=O)C1CCC([N@H+]2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)CC1 ZINC001169879400 1079452356 /nfs/dbraw/zinc/45/23/56/1079452356.db2.gz AMMCACJKPOSCMM-LEOMRAHMSA-N 1 1 414.522 2.370 20 0 HEADMO COC(=O)c1cccc(C(=O)NC2CC[NH+](C3CCC(S(C)(=O)=O)CC3)CC2)c1 ZINC001169876614 1079466116 /nfs/dbraw/zinc/46/61/16/1079466116.db2.gz PXXFDOYWCDXVNK-UHFFFAOYSA-N 1 1 422.547 2.023 20 0 HEADMO CC(C)(C)OC(=O)N1CCO[C@@]2(C1)COCC[N@@H+]([C@H]1CCCC3(C1)OCCO3)C2 ZINC001169935264 1079481520 /nfs/dbraw/zinc/48/15/20/1079481520.db2.gz VZIZVLKXRCRPMY-PXNSSMCTSA-N 1 1 412.527 2.010 20 0 HEADMO CC(C)(C)OC(=O)N1CCO[C@@]2(C1)COCC[N@H+]([C@H]1CCCC3(C1)OCCO3)C2 ZINC001169935264 1079481530 /nfs/dbraw/zinc/48/15/30/1079481530.db2.gz VZIZVLKXRCRPMY-PXNSSMCTSA-N 1 1 412.527 2.010 20 0 HEADMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000771752719 1079483730 /nfs/dbraw/zinc/48/37/30/1079483730.db2.gz GPYDNULQQPVKRX-IBGZPJMESA-N 1 1 417.531 2.236 20 0 HEADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC001169924646 1079485708 /nfs/dbraw/zinc/48/57/08/1079485708.db2.gz QGPBDBCAFMPOLU-SGIRGMQISA-N 1 1 421.541 2.179 20 0 HEADMO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3cc(C)[nH]n3)cc2Cl)CC1 ZINC000737300298 1075902529 /nfs/dbraw/zinc/90/25/29/1075902529.db2.gz WWHRYUOOUKWLTB-UHFFFAOYSA-N 1 1 418.929 2.158 20 0 HEADMO Cc1ncccc1NC(=O)[C@H]1COC[C@H]2C[N@H+]([C@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169945025 1079487674 /nfs/dbraw/zinc/48/76/74/1079487674.db2.gz HKOQFTNAXCCFSE-HCXYKTFWSA-N 1 1 401.507 2.209 20 0 HEADMO CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CC[N@H+]([C@H]1CCCC3(C1)OCCO3)C2 ZINC001169946065 1079488435 /nfs/dbraw/zinc/48/84/35/1079488435.db2.gz UCPJUBHKNWCSJP-UNMCSNQZSA-N 1 1 413.518 2.012 20 0 HEADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000737744407 1075921594 /nfs/dbraw/zinc/92/15/94/1075921594.db2.gz XXQPNZCSRRNWON-SFHVURJKSA-N 1 1 420.558 2.262 20 0 HEADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000737744407 1075921598 /nfs/dbraw/zinc/92/15/98/1075921598.db2.gz XXQPNZCSRRNWON-SFHVURJKSA-N 1 1 420.558 2.262 20 0 HEADMO O=C(C[C@@H]1OC[C@H]2C[N@H+]([C@@H]3CCCC4(C3)OCCO4)CC[C@H]21)NCc1ccco1 ZINC001169947135 1079489439 /nfs/dbraw/zinc/48/94/39/1079489439.db2.gz DXNIROROPULYPN-LFGUQSLTSA-N 1 1 404.507 2.309 20 0 HEADMO CN1CC[NH+](CCCNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000737772896 1075927782 /nfs/dbraw/zinc/92/77/82/1075927782.db2.gz MXTZEAFMEJMGIO-JOCHJYFZSA-N 1 1 424.545 2.408 20 0 HEADMO Cc1oc(-c2ccccc2F)nc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000737829415 1075934079 /nfs/dbraw/zinc/93/40/79/1075934079.db2.gz CAVBQIOHKRFSKI-QGZVFWFLSA-N 1 1 402.470 2.462 20 0 HEADMO C[C@H](CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)C[NH+]1CCOCC1 ZINC000737979951 1075944360 /nfs/dbraw/zinc/94/43/60/1075944360.db2.gz LHTKTHRGTPHEBA-CQSZACIVSA-N 1 1 422.576 2.013 20 0 HEADMO CC[C@]1(C(C)C)NC(=O)N(CN2CC[NH+](Cc3cc(C)ccc3OC)CC2)C1=O ZINC000738016959 1075950980 /nfs/dbraw/zinc/95/09/80/1075950980.db2.gz LVADEDQSYTZQJH-JOCHJYFZSA-N 1 1 402.539 2.435 20 0 HEADMO Cc1nn(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(=S)n1CC(=O)N(C)C 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IMTVBEANPKDTKL-MRXNPFEDSA-N 1 1 401.486 2.434 20 0 HEADMO COc1cccc([C@@H]2[C@H](NC(=O)C(=O)Nc3cnn(C)c3C3CC3)CC[N@@H+]2C2CC2)c1 ZINC000770760135 1078982201 /nfs/dbraw/zinc/98/22/01/1078982201.db2.gz HQUJWRXRMHYXEO-WIYYLYMNSA-N 1 1 423.517 2.339 20 0 HEADMO COc1cccc([C@@H]2[C@H](NC(=O)C(=O)Nc3cnn(C)c3C3CC3)CC[N@H+]2C2CC2)c1 ZINC000770760135 1078982207 /nfs/dbraw/zinc/98/22/07/1078982207.db2.gz HQUJWRXRMHYXEO-WIYYLYMNSA-N 1 1 423.517 2.339 20 0 HEADMO COC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000746454839 1078985545 /nfs/dbraw/zinc/98/55/45/1078985545.db2.gz QRKJKNIVGSUIQW-INIZCTEOSA-N 1 1 404.511 2.312 20 0 HEADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC001168791961 1078996112 /nfs/dbraw/zinc/99/61/12/1078996112.db2.gz OYWVGVAGOGNWHJ-RCZVLFRGSA-N 1 1 424.541 2.492 20 0 HEADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000804278773 1078994202 /nfs/dbraw/zinc/99/42/02/1078994202.db2.gz JMEJEHVIFMHQGE-CTNGQTDRSA-N 1 1 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C[C@H]1C[C@H]([N@H+]2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168843924 1079051347 /nfs/dbraw/zinc/05/13/47/1079051347.db2.gz AUMRZHMPZMAIGK-LTFXXXRZSA-N 1 1 423.554 2.418 20 0 HEADMO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCCO3)C2)CN1C(=O)OC(C)(C)C ZINC001168855082 1079053535 /nfs/dbraw/zinc/05/35/35/1079053535.db2.gz IRPLTXGHPZWCBK-ZSXDVEMLSA-N 1 1 423.554 2.275 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CN1C(=O)OC(C)(C)C ZINC001168864077 1079056885 /nfs/dbraw/zinc/05/68/85/1079056885.db2.gz JLCJPQNYGSWSKW-BREDGVMVSA-N 1 1 407.555 2.249 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168869434 1079058931 /nfs/dbraw/zinc/05/89/31/1079058931.db2.gz WGZAMMRVRNLYDF-FKICDVMDSA-N 1 1 421.582 2.495 20 0 HEADMO C[C@H]1C[C@H]([N@@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849998 1079061658 /nfs/dbraw/zinc/06/16/58/1079061658.db2.gz 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20 0 HEADMO COC(=O)c1cn([C@H]2CC[N@@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)nn1 ZINC001169013736 1079099848 /nfs/dbraw/zinc/09/98/48/1079099848.db2.gz JGAYVAJEXBDEKG-HOTGVXAUSA-N 1 1 407.515 2.349 20 0 HEADMO CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001169040249 1079107575 /nfs/dbraw/zinc/10/75/75/1079107575.db2.gz AKXSTQBCJBRSRL-PABYOWBDSA-N 1 1 415.534 2.232 20 0 HEADMO CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001169040249 1079107579 /nfs/dbraw/zinc/10/75/79/1079107579.db2.gz AKXSTQBCJBRSRL-PABYOWBDSA-N 1 1 415.534 2.232 20 0 HEADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001169041214 1079108379 /nfs/dbraw/zinc/10/83/79/1079108379.db2.gz OJMCRCYWMFHUTJ-HXUWFJFHSA-N 1 1 424.948 2.239 20 0 HEADMO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000771038626 1079112541 /nfs/dbraw/zinc/11/25/41/1079112541.db2.gz ITCBGZGTYOFSSH-AWEZNQCLSA-N 1 1 400.928 2.117 20 0 HEADMO 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Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O ZINC000771124051 1079144326 /nfs/dbraw/zinc/14/43/26/1079144326.db2.gz GONXBVUJUAWXMF-UHFFFAOYSA-N 1 1 403.442 2.267 20 0 HEADMO COc1ccc(CN2CCO[C@H]3CN([C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC[C@H]3C2=O)cc1 ZINC001169133194 1079152152 /nfs/dbraw/zinc/15/21/52/1079152152.db2.gz CREHFQJLFYWVGW-BEHZJIDTSA-N 1 1 413.562 2.370 20 0 HEADMO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000771108220 1079156558 /nfs/dbraw/zinc/15/65/58/1079156558.db2.gz ZSEAFMODXDVGAB-GOSISDBHSA-N 1 1 408.518 2.367 20 0 HEADMO COC(=O)[C@@](C)([NH3+])Cc1cn(-c2cc(OC)c(OC)c3c2CNC3=O)c2ccccc12 ZINC001169113566 1079160840 /nfs/dbraw/zinc/16/08/40/1079160840.db2.gz SBVRMOHNQGWZIB-QHCPKHFHSA-N 1 1 423.469 2.324 20 0 HEADMO COC(=O)c1nc2ccc(-n3cc(C[C@@](C)([NH3+])C(=O)OC)c4ccccc43)[nH]c-2n1 ZINC001169115899 1079162867 /nfs/dbraw/zinc/16/28/67/1079162867.db2.gz LFIVSTCZLKTDCL-OAQYLSRUSA-N 1 1 407.430 2.121 20 0 HEADMO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001169151051 1079167403 /nfs/dbraw/zinc/16/74/03/1079167403.db2.gz ZGCYFUQDOVYALO-ROUUACIJSA-N 1 1 419.522 2.142 20 0 HEADMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC(F)(F)C(C)(C)C1 ZINC001169190631 1079178425 /nfs/dbraw/zinc/17/84/25/1079178425.db2.gz IHGNBNVHTNNUPA-AWEZNQCLSA-N 1 1 411.497 2.360 20 0 HEADMO COc1cccc(C[N@@H+](C)[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169202307 1079184199 /nfs/dbraw/zinc/18/41/99/1079184199.db2.gz OUFVYXIXLIWHQV-MRXNPFEDSA-N 1 1 413.522 2.133 20 0 HEADMO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1C[C@@](O)(C(N)=O)c1ccccc1 ZINC001169179735 1079192633 /nfs/dbraw/zinc/19/26/33/1079192633.db2.gz ZCPJZQDULKFNTP-URXFXBBRSA-N 1 1 420.513 2.236 20 0 HEADMO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1C[C@@](O)(C(N)=O)c1ccccc1 ZINC001169179735 1079192645 /nfs/dbraw/zinc/19/26/45/1079192645.db2.gz ZCPJZQDULKFNTP-URXFXBBRSA-N 1 1 420.513 2.236 20 0 HEADMO 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C[C@@H]1C[C@H](NC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC[N@H+]1C ZINC000741722494 1076593754 /nfs/dbraw/zinc/59/37/54/1076593754.db2.gz PJABPTXBUBQJKM-RHSMWYFYSA-N 1 1 412.515 2.460 20 0 HEADMO COC(=O)C[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000741699492 1076595539 /nfs/dbraw/zinc/59/55/39/1076595539.db2.gz RTHORCMFTFDQBX-FQEVSTJZSA-N 1 1 407.514 2.498 20 0 HEADMO COC(=O)C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000741699493 1076595676 /nfs/dbraw/zinc/59/56/76/1076595676.db2.gz RTHORCMFTFDQBX-HXUWFJFHSA-N 1 1 407.514 2.498 20 0 HEADMO COC(=O)C1=C(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000741790064 1076628669 /nfs/dbraw/zinc/62/86/69/1076628669.db2.gz ALLRIZTVNDOSQC-WRWLIDTKSA-N 1 1 400.523 2.224 20 0 HEADMO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCCC(C)(C)CC2)C1=O ZINC000741804824 1076643995 /nfs/dbraw/zinc/64/39/95/1076643995.db2.gz LZWZAGANBBWUOF-QFIPXVFZSA-N 1 1 400.523 2.473 20 0 HEADMO 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20 0 HEADMO CC[N@@H+](CCc1ccccn1)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000769034549 1080891115 /nfs/dbraw/zinc/89/11/15/1080891115.db2.gz DWEGVEGXVJBYAW-UHFFFAOYSA-N 1 1 413.518 2.392 20 0 HEADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000769000041 1080895795 /nfs/dbraw/zinc/89/57/95/1080895795.db2.gz ALPOUEDIKSKTDS-OLZOCXBDSA-N 1 1 410.400 2.271 20 0 HEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000786933647 1080898160 /nfs/dbraw/zinc/89/81/60/1080898160.db2.gz DWCKICODTRSWSP-UHFFFAOYSA-N 1 1 404.555 2.421 20 0 HEADMO CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC1CC1 ZINC001109416409 1080898705 /nfs/dbraw/zinc/89/87/05/1080898705.db2.gz DCXIZCGMSHIZNL-XLIFZOOWSA-N 1 1 402.539 2.129 20 0 HEADMO Cc1cccc([C@@H](O)CNC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000769017665 1080899319 /nfs/dbraw/zinc/89/93/19/1080899319.db2.gz SFNLBWBFURUNGH-OALUTQOASA-N 1 1 402.564 2.378 20 0 HEADMO 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C[C@@H]1C[C@@H]([N@H+]2Cc3ccnn3C[C@@H](C(=O)NCC3CC3)C2)CN1C(=O)OC(C)(C)C ZINC001168855924 1079053841 /nfs/dbraw/zinc/05/38/41/1079053841.db2.gz KOZJETMTZFEKCY-HHXXYDBFSA-N 1 1 417.554 2.239 20 0 HEADMO C[C@@H]1C[C@@H]([N@@H+]2Cc3ccnn3C[C@@H](C(=O)NCC3CC3)C2)CN1C(=O)OC(C)(C)C ZINC001168855924 1079053846 /nfs/dbraw/zinc/05/38/46/1079053846.db2.gz KOZJETMTZFEKCY-HHXXYDBFSA-N 1 1 417.554 2.239 20 0 HEADMO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168855959 1079053858 /nfs/dbraw/zinc/05/38/58/1079053858.db2.gz KRKLSLHIOJSPSE-BRIYLRKRSA-N 1 1 423.554 2.275 20 0 HEADMO Cc1ccc(N2CCO[C@H]3C[N@H+]([C@H]4C[C@@H](C)N(C(=O)OC(C)(C)C)C4)C[C@H]32)nn1 ZINC001168858297 1079054721 /nfs/dbraw/zinc/05/47/21/1079054721.db2.gz PUEMRWDAQJHZBI-XDNAFOTISA-N 1 1 403.527 2.072 20 0 HEADMO CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@H+]([C@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001168861779 1079056583 /nfs/dbraw/zinc/05/65/83/1079056583.db2.gz ZXDPAPBMOGJFGB-JKEDJMADSA-N 1 1 409.571 2.493 20 0 HEADMO CNS(=O)(=O)c1ccc(C(=O)OC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000770882650 1079059071 /nfs/dbraw/zinc/05/90/71/1079059071.db2.gz LAKQKKPWYQTZLA-FQEVSTJZSA-N 1 1 403.504 2.201 20 0 HEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000766521277 1079067083 /nfs/dbraw/zinc/06/70/83/1079067083.db2.gz HEODFUQFFCTIOF-ZWKOTPCHSA-N 1 1 405.506 2.467 20 0 HEADMO C[C@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168850827 1079062068 /nfs/dbraw/zinc/06/20/68/1079062068.db2.gz RIEKFESOSZZVSY-APAFKAMOSA-N 1 1 423.554 2.133 20 0 HEADMO C[C@H]1C[C@@H]([NH+]2CC(N3CCN(c4ccccn4)CC3)C2)CN1C(=O)OC(C)(C)C ZINC001168874230 1079065561 /nfs/dbraw/zinc/06/55/61/1079065561.db2.gz WGDLJSDDERKRKU-ZWKOTPCHSA-N 1 1 401.555 2.286 20 0 HEADMO COc1ccc(CN2CC[C@@H]([N@H+]3C[C@H]4CN(c5cccnc5)C(=O)[C@H]4C3)CC2=O)cc1 ZINC001168938365 1079079721 /nfs/dbraw/zinc/07/97/21/1079079721.db2.gz BKEIRANHIMJMKU-JQVVWYNYSA-N 1 1 420.513 2.176 20 0 HEADMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(C)c(C)c3)CC2)CC1 ZINC001168918707 1079075430 /nfs/dbraw/zinc/07/54/30/1079075430.db2.gz MXTODXRVVWQNQI-LJQANCHMSA-N 1 1 402.539 2.115 20 0 HEADMO COc1ccc(CN2CC[C@@H]([N@H+]3C[C@@H]4C[C@H](C(=O)NC5CC5)C[C@@H]4C3)CC2=O)cc1 ZINC001168934608 1079078900 /nfs/dbraw/zinc/07/89/00/1079078900.db2.gz HVOXXFVHHYFCTF-WERVVEIQSA-N 1 1 411.546 2.423 20 0 HEADMO CCN(C)C(=O)CO[C@H]1CCC[N@H+]([C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)C1 ZINC001168958021 1079091772 /nfs/dbraw/zinc/09/17/72/1079091772.db2.gz KYCHDYZWRNXHGG-FPOVZHCZSA-N 1 1 417.550 2.146 20 0 HEADMO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)CC1 ZINC000766543098 1079084434 /nfs/dbraw/zinc/08/44/34/1079084434.db2.gz CTPHRZDSKHHJNS-QFIPXVFZSA-N 1 1 417.550 2.398 20 0 HEADMO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)CC1 ZINC000766543095 1079084461 /nfs/dbraw/zinc/08/44/61/1079084461.db2.gz CTPHRZDSKHHJNS-JOCHJYFZSA-N 1 1 417.550 2.398 20 0 HEADMO C[N@@H+]1CCCN(c2ccc(NC(=O)CCN3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000746130855 1079085675 /nfs/dbraw/zinc/08/56/75/1079085675.db2.gz FQSDYWCETJZTIL-UHFFFAOYSA-N 1 1 422.577 2.374 20 0 HEADMO C[N@H+]1CCCN(c2ccc(NC(=O)CCN3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000746130855 1079085683 /nfs/dbraw/zinc/08/56/83/1079085683.db2.gz FQSDYWCETJZTIL-UHFFFAOYSA-N 1 1 422.577 2.374 20 0 HEADMO COc1ccc(CN2CC[C@@H]([N@H+]3CCc4onc(Cn5ccnc5)c4C3)CC2=O)cc1 ZINC001168928732 1079087199 /nfs/dbraw/zinc/08/71/99/1079087199.db2.gz DOYBSNKIHXIQDB-GOSISDBHSA-N 1 1 421.501 2.477 20 0 HEADMO COc1ccc(CN2CC[C@@H]([N@H+]3CC[C@]4(CCN4c4ncccn4)C3)CC2=O)cc1 ZINC001168929533 1079088106 /nfs/dbraw/zinc/08/81/06/1079088106.db2.gz JDXALNXJFJVKSS-XXBNENTESA-N 1 1 407.518 2.331 20 0 HEADMO C[NH+]1CCC(CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)(c2ccccc2)CC1 ZINC001168954711 1079089941 /nfs/dbraw/zinc/08/99/41/1079089941.db2.gz DQVPBEOMJMWTDR-UHFFFAOYSA-N 1 1 422.554 2.465 20 0 HEADMO CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[N@H+]3CC[C@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC001169003440 1079097326 /nfs/dbraw/zinc/09/73/26/1079097326.db2.gz HPVBIJKXCMXDEY-ROUUACIJSA-N 1 1 422.570 2.329 20 0 HEADMO Cc1cccc(-c2noc(SCC(=O)N3CC[NH+](CCCCCO)CC3)n2)c1 ZINC001169051384 1079116978 /nfs/dbraw/zinc/11/69/78/1079116978.db2.gz YAFNKPSYSLPNOV-UHFFFAOYSA-N 1 1 404.536 2.444 20 0 HEADMO CCc1nc(C(N)=O)c(-n2cc(C[C@](C)([NH3+])C(=O)OC)c3ccccc32)nc1Cl ZINC001169105438 1079130891 /nfs/dbraw/zinc/13/08/91/1079130891.db2.gz FESNCJDZKPRIAF-FQEVSTJZSA-N 1 1 415.881 2.168 20 0 HEADMO C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000766583418 1079134685 /nfs/dbraw/zinc/13/46/85/1079134685.db2.gz VMDBFRAYLUVMAV-OAHLLOKOSA-N 1 1 410.946 2.491 20 0 HEADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)OC(C)(C)C)nc3)CC[C@H]21 ZINC000766585042 1079135088 /nfs/dbraw/zinc/13/50/88/1079135088.db2.gz PAFMXJWBZDFPNT-GDBMZVCRSA-N 1 1 417.510 2.310 20 0 HEADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC[C@@H]21 ZINC000766584903 1079135105 /nfs/dbraw/zinc/13/51/05/1079135105.db2.gz OVDHQNFHWSOMDO-QAPCUYQASA-N 1 1 400.523 2.096 20 0 HEADMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C1)C2 ZINC001169131801 1079151432 /nfs/dbraw/zinc/15/14/32/1079151432.db2.gz ZNAIYMUKFZMYNJ-PIIMJCKOSA-N 1 1 416.570 2.445 20 0 HEADMO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)N3C)CC2 ZINC001169133791 1079152640 /nfs/dbraw/zinc/15/26/40/1079152640.db2.gz KUQYEHPBHDFXQP-REPLKXPHSA-N 1 1 409.534 2.295 20 0 HEADMO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)N3C)CC2 ZINC001169133791 1079152644 /nfs/dbraw/zinc/15/26/44/1079152644.db2.gz KUQYEHPBHDFXQP-REPLKXPHSA-N 1 1 409.534 2.295 20 0 HEADMO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)N3C)CC2 ZINC001169133790 1079152784 /nfs/dbraw/zinc/15/27/84/1079152784.db2.gz KUQYEHPBHDFXQP-BWTSREIZSA-N 1 1 409.534 2.295 20 0 HEADMO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)N3C)CC2 ZINC001169133790 1079152789 /nfs/dbraw/zinc/15/27/89/1079152789.db2.gz KUQYEHPBHDFXQP-BWTSREIZSA-N 1 1 409.534 2.295 20 0 HEADMO COC(=O)[C@](C)([NH3+])Cc1cn(-c2ncnc3[nH]cc([S@@](C)=O)c32)c2ccccc12 ZINC001169106187 1079156738 /nfs/dbraw/zinc/15/67/38/1079156738.db2.gz QMGLLXYWUDHVLC-ACSYHNTCSA-N 1 1 411.487 2.072 20 0 HEADMO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCc1ccccc1)C2 ZINC001169107414 1079157236 /nfs/dbraw/zinc/15/72/36/1079157236.db2.gz GEFWOUVVUVMMQF-NUNAXRQHSA-N 1 1 406.567 2.468 20 0 HEADMO COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccc(Br)c[n+]2[O-])c2ccccc12 ZINC001169115894 1079162757 /nfs/dbraw/zinc/16/27/57/1079162757.db2.gz VBAIJKNJRNAIGN-SFHVURJKSA-N 1 1 404.264 2.459 20 0 HEADMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)Cc3cccc(NS(C)(=O)=O)c3)C2)c1 ZINC001169149312 1079165699 /nfs/dbraw/zinc/16/56/99/1079165699.db2.gz JPQMMNCAJLMROR-FQEVSTJZSA-N 1 1 401.532 2.300 20 0 HEADMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)C2)c1 ZINC001169150785 1079167381 /nfs/dbraw/zinc/16/73/81/1079167381.db2.gz WDXXRYLQUIXTTA-YDHSSHFGSA-N 1 1 417.550 2.446 20 0 HEADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000766612479 1079174300 /nfs/dbraw/zinc/17/43/00/1079174300.db2.gz GAYZFCYKFWEAJG-QGZVFWFLSA-N 1 1 408.564 2.494 20 0 HEADMO Cc1cc(N2CCC[C@H](N3CC[NH+](CC[C@@H]4CC4(Cl)Cl)CC3)C2=O)n(C)n1 ZINC001169187406 1079177037 /nfs/dbraw/zinc/17/70/37/1079177037.db2.gz GSYIPNLHZZMYDL-CVEARBPZSA-N 1 1 414.381 2.425 20 0 HEADMO Cc1nc(CN2CCO[C@H]3CN([C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC[C@H]3C2=O)cs1 ZINC001169140537 1079177148 /nfs/dbraw/zinc/17/71/48/1079177148.db2.gz RMCZHHIEDJUVQH-IVDHNXQLSA-N 1 1 404.580 2.126 20 0 HEADMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](C[C@H](O)CC2(O)CCOCC2)C1)C1CCCC1 ZINC001169187631 1079177630 /nfs/dbraw/zinc/17/76/30/1079177630.db2.gz JIDYBZHDVAHLFO-ZWKOTPCHSA-N 1 1 420.554 2.010 20 0 HEADMO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCc2sccc2C1 ZINC001169193341 1079180229 /nfs/dbraw/zinc/18/02/29/1079180229.db2.gz RSTWEOKCQKYGPG-CQSZACIVSA-N 1 1 401.536 2.112 20 0 HEADMO Cc1c(C(=O)N2CC[N@@H+](C)CC2(C)C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766615421 1079194441 /nfs/dbraw/zinc/19/44/41/1079194441.db2.gz CAQUYXBURLRSPX-UHFFFAOYSA-N 1 1 420.558 2.325 20 0 HEADMO Cc1c(C(=O)N2CC[N@H+](C)CC2(C)C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766615421 1079194447 /nfs/dbraw/zinc/19/44/47/1079194447.db2.gz CAQUYXBURLRSPX-UHFFFAOYSA-N 1 1 420.558 2.325 20 0 HEADMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](C)Cc1nc2ccccc2o1 ZINC001169206240 1079194893 /nfs/dbraw/zinc/19/48/93/1079194893.db2.gz HXPLHOFJZPZPNN-HNNXBMFYSA-N 1 1 424.505 2.266 20 0 HEADMO C[C@H](NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000766629228 1079198061 /nfs/dbraw/zinc/19/80/61/1079198061.db2.gz IJCSNDCXUMONKY-HKUYNNGSSA-N 1 1 420.554 2.442 20 0 HEADMO C[C@H](NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000766629228 1079198068 /nfs/dbraw/zinc/19/80/68/1079198068.db2.gz IJCSNDCXUMONKY-HKUYNNGSSA-N 1 1 420.554 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C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000766521276 1079067122 /nfs/dbraw/zinc/06/71/22/1079067122.db2.gz HEODFUQFFCTIOF-ROUUACIJSA-N 1 1 405.506 2.467 20 0 HEADMO COc1cccc(NC(=O)Cc2noc([C@]3(O)CC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000770959080 1079079495 /nfs/dbraw/zinc/07/94/95/1079079495.db2.gz SBFWDIHMBVLZIX-QFIPXVFZSA-N 1 1 408.458 2.353 20 0 HEADMO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000770956628 1079077654 /nfs/dbraw/zinc/07/76/54/1079077654.db2.gz VZBXLHZRVQHGPD-QGZVFWFLSA-N 1 1 424.574 2.441 20 0 HEADMO CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001169040244 1079107624 /nfs/dbraw/zinc/10/76/24/1079107624.db2.gz AKXSTQBCJBRSRL-KEXUJGGDSA-N 1 1 415.534 2.232 20 0 HEADMO CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001169040244 1079107627 /nfs/dbraw/zinc/10/76/27/1079107627.db2.gz AKXSTQBCJBRSRL-KEXUJGGDSA-N 1 1 415.534 2.232 20 0 HEADMO CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000766580079 1079120607 /nfs/dbraw/zinc/12/06/07/1079120607.db2.gz AGUJFOITVTZMRH-HKUYNNGSSA-N 1 1 416.522 2.202 20 0 HEADMO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CO[C@]3(C1)COCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169093568 1079127074 /nfs/dbraw/zinc/12/70/74/1079127074.db2.gz IOBBDIMLKHETQT-QUXXCFOZSA-N 1 1 409.571 2.244 20 0 HEADMO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000766586726 1079137205 /nfs/dbraw/zinc/13/72/05/1079137205.db2.gz VGGCTTJUMDNAOS-LPHOPBHVSA-N 1 1 400.523 2.050 20 0 HEADMO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000766586725 1079137233 /nfs/dbraw/zinc/13/72/33/1079137233.db2.gz VGGCTTJUMDNAOS-APWZRJJASA-N 1 1 400.523 2.050 20 0 HEADMO CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)CC[N@@H+]1CCOC ZINC000766589989 1079128127 /nfs/dbraw/zinc/12/81/27/1079128127.db2.gz HTLGGDCKVYREAJ-MRXNPFEDSA-N 1 1 410.946 2.304 20 0 HEADMO CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)CC[N@H+]1CCOC ZINC000766589989 1079128130 /nfs/dbraw/zinc/12/81/30/1079128130.db2.gz HTLGGDCKVYREAJ-MRXNPFEDSA-N 1 1 410.946 2.304 20 0 HEADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)OC(C)(C)C)nc3)CC[C@@H]21 ZINC000766585062 1079135059 /nfs/dbraw/zinc/13/50/59/1079135059.db2.gz PAFMXJWBZDFPNT-ZBFHGGJFSA-N 1 1 417.510 2.310 20 0 HEADMO CN(C)c1nccc(N2CCOC[C@]3(CCC[N@@H+]([C@H]4C[C@H]5CC[C@@H](C4)N5C)C3)C2)n1 ZINC001169128643 1079147802 /nfs/dbraw/zinc/14/78/02/1079147802.db2.gz GCKBADXYOFPCED-VAWZGJIGSA-N 1 1 414.598 2.087 20 0 HEADMO CN(C)c1nccc(N2CCOC[C@]3(CCC[N@H+]([C@H]4C[C@H]5CC[C@@H](C4)N5C)C3)C2)n1 ZINC001169128643 1079147805 /nfs/dbraw/zinc/14/78/05/1079147805.db2.gz GCKBADXYOFPCED-VAWZGJIGSA-N 1 1 414.598 2.087 20 0 HEADMO COc1cccnc1C[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170021371 1079141556 /nfs/dbraw/zinc/14/15/56/1079141556.db2.gz CRYFGLZFKCFCJI-HOCLYGCPSA-N 1 1 422.551 2.091 20 0 HEADMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2cc(N3CCCC3=O)ccc2F)CC1 ZINC000771123478 1079143431 /nfs/dbraw/zinc/14/34/31/1079143431.db2.gz DMCJENZQCIFYBU-UHFFFAOYSA-N 1 1 405.518 2.490 20 0 HEADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2ccc3nnc(C(F)F)n3n2)CC1 ZINC000771089338 1079145680 /nfs/dbraw/zinc/14/56/80/1079145680.db2.gz HZNCLJUCKXKTOQ-UHFFFAOYSA-N 1 1 411.457 2.417 20 0 HEADMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000771094343 1079148713 /nfs/dbraw/zinc/14/87/13/1079148713.db2.gz OMWGSHFMWKHVNM-UHFFFAOYSA-N 1 1 418.510 2.221 20 0 HEADMO COc1ccc(CN2CCO[C@H]3CN([C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC[C@H]3C2=O)cc1 ZINC001169133195 1079152077 /nfs/dbraw/zinc/15/20/77/1079152077.db2.gz CREHFQJLFYWVGW-PMNYKWLYSA-N 1 1 413.562 2.370 20 0 HEADMO C[C@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771112886 1079158229 /nfs/dbraw/zinc/15/82/29/1079158229.db2.gz BBNSNHJJVFXVQX-RNODOKPDSA-N 1 1 424.904 2.237 20 0 HEADMO COC(=O)[C@](C)([NH3+])Cc1cn(-c2cnc(C(=O)N(C)OC)c(C)c2)c2ccccc12 ZINC001169111631 1079158366 /nfs/dbraw/zinc/15/83/66/1079158366.db2.gz BSVOBELYJMEPRJ-JOCHJYFZSA-N 1 1 410.474 2.400 20 0 HEADMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3OCC[C@H]3NC(=O)OC(C)(C)C)C2)c1 ZINC001169148858 1079166054 /nfs/dbraw/zinc/16/60/54/1079166054.db2.gz FUKGNQDEFXWKSH-QRVBRYPASA-N 1 1 403.523 2.368 20 0 HEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771153982 1079166854 /nfs/dbraw/zinc/16/68/54/1079166854.db2.gz OAEHHXSFZLITKV-BUXKBTBVSA-N 1 1 412.893 2.093 20 0 HEADMO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)C2)c1 ZINC001169151030 1079167298 /nfs/dbraw/zinc/16/72/98/1079167298.db2.gz YXNJWAKFGHIMGB-SFHVURJKSA-N 1 1 422.460 2.187 20 0 HEADMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)C2)c1 ZINC001169151030 1079167300 /nfs/dbraw/zinc/16/73/00/1079167300.db2.gz YXNJWAKFGHIMGB-SFHVURJKSA-N 1 1 422.460 2.187 20 0 HEADMO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001169191034 1079179169 /nfs/dbraw/zinc/17/91/69/1079179169.db2.gz KBSUYSYZVYPAPN-ZIAGYGMSSA-N 1 1 415.460 2.062 20 0 HEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000771165950 1079181248 /nfs/dbraw/zinc/18/12/48/1079181248.db2.gz OOEPLIIWOACQOP-CEXHIMGSSA-N 1 1 406.474 2.462 20 0 HEADMO COc1ccc(C[N@@H+](C)[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC001169201795 1079183381 /nfs/dbraw/zinc/18/33/81/1079183381.db2.gz IINZIUZDEQEBPS-MRXNPFEDSA-N 1 1 413.522 2.133 20 0 HEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000771136058 1079187789 /nfs/dbraw/zinc/18/77/89/1079187789.db2.gz YSVWRVRXLVSCKE-GUDVDZBRSA-N 1 1 403.571 2.448 20 0 HEADMO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCc2c(F)cccc2C1 ZINC001169211248 1079197585 /nfs/dbraw/zinc/19/75/85/1079197585.db2.gz DYLLHNGQFSUMRX-OAHLLOKOSA-N 1 1 413.497 2.190 20 0 HEADMO O=C(NCCS(=O)(=O)CC1CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000766621959 1079199499 /nfs/dbraw/zinc/19/94/99/1079199499.db2.gz IOWUCFXYWWCMCZ-GOSISDBHSA-N 1 1 418.481 2.382 20 0 HEADMO O=C(NCCS(=O)(=O)CC1CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000766621959 1079199502 /nfs/dbraw/zinc/19/95/02/1079199502.db2.gz IOWUCFXYWWCMCZ-GOSISDBHSA-N 1 1 418.481 2.382 20 0 HEADMO CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C1CC[NH+](CC)CC1)CC2 ZINC001169251421 1079212166 /nfs/dbraw/zinc/21/21/66/1079212166.db2.gz WGNFOEPSXQTUNT-UHFFFAOYSA-N 1 1 411.598 2.395 20 0 HEADMO CCCC[N@@H+](C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771181179 1079212206 /nfs/dbraw/zinc/21/22/06/1079212206.db2.gz VBYZKURZMLYHJC-LJQANCHMSA-N 1 1 412.893 2.094 20 0 HEADMO Cc1c(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cnn1C(C)C ZINC000771182713 1079212498 /nfs/dbraw/zinc/21/24/98/1079212498.db2.gz YQAJSOAXIYOYCQ-UHFFFAOYSA-N 1 1 406.527 2.081 20 0 HEADMO COc1cccc(C[C@H]2CN(C(=O)c3ccccc3S(=O)(=O)C(F)F)CC[NH2+]2)c1 ZINC001169260149 1079214105 /nfs/dbraw/zinc/21/41/05/1079214105.db2.gz DGAHSRBTXQIPBC-HNNXBMFYSA-N 1 1 424.469 2.348 20 0 HEADMO CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000804314009 1079221763 /nfs/dbraw/zinc/22/17/63/1079221763.db2.gz DXAWMVMGKOAVMY-UXHICEINSA-N 1 1 414.550 2.027 20 0 HEADMO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)C ZINC000771226854 1079216910 /nfs/dbraw/zinc/21/69/10/1079216910.db2.gz HVSFPNMXZRJAOE-UZLBHIALSA-N 1 1 414.550 2.485 20 0 HEADMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001169285762 1079219519 /nfs/dbraw/zinc/21/95/19/1079219519.db2.gz XSEFJVQXOIPCET-ALXJQNPVSA-N 1 1 409.552 2.033 20 0 HEADMO C[C@H]1CN(CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CC(C)(C)O1 ZINC000746505570 1079233578 /nfs/dbraw/zinc/23/35/78/1079233578.db2.gz KTLNCVYEHGIAKL-HTAPYJJXSA-N 1 1 400.523 2.030 20 0 HEADMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@@H](CO)C(N)=O)cc1 ZINC001169325460 1079234934 /nfs/dbraw/zinc/23/49/34/1079234934.db2.gz UNPBYLFYKROQOD-SFHVURJKSA-N 1 1 403.442 2.354 20 0 HEADMO CCOC(=O)C1=C(N[C@@H]2CC[C@@H](C(=O)OCC)OC2)CC[N@H+](Cc2ccccc2)C1 ZINC001169338360 1079238404 /nfs/dbraw/zinc/23/84/04/1079238404.db2.gz HGNYDJHASTWUKS-NQIIRXRSSA-N 1 1 416.518 2.410 20 0 HEADMO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)CO1 ZINC001169404921 1079251770 /nfs/dbraw/zinc/25/17/70/1079251770.db2.gz QYLQMONQFRUCDG-KBPBESRZSA-N 1 1 402.417 2.118 20 0 HEADMO CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CO1 ZINC001169389512 1079259272 /nfs/dbraw/zinc/25/92/72/1079259272.db2.gz FFXLCVSWZLHKLH-GWOFKNCZSA-N 1 1 404.507 2.442 20 0 HEADMO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3nc(C(=O)N(CC)CC)sc3CC2)CO1 ZINC001169388815 1079259532 /nfs/dbraw/zinc/25/95/32/1079259532.db2.gz QMWYJTHEDMXQKT-HOCLYGCPSA-N 1 1 409.552 2.136 20 0 HEADMO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CO1 ZINC001169390874 1079260892 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ZINC000741125524 1076381140 /nfs/dbraw/zinc/38/11/40/1076381140.db2.gz WTGGUAIXCTZEAT-QFBILLFUSA-N 1 1 417.506 2.342 20 0 HEADMO CCOC(=O)C1=C(COC(=O)[C@H]2CCCC[N@@H+]2CC)NC(=O)N[C@H]1c1ccccc1 ZINC000741146951 1076392631 /nfs/dbraw/zinc/39/26/31/1076392631.db2.gz RJFHIWDUXWKYQT-MJGOQNOKSA-N 1 1 415.490 2.275 20 0 HEADMO CCOC(=O)C1=C(COC(=O)[C@H]2CCCC[N@H+]2CC)NC(=O)N[C@H]1c1ccccc1 ZINC000741146951 1076392635 /nfs/dbraw/zinc/39/26/35/1076392635.db2.gz RJFHIWDUXWKYQT-MJGOQNOKSA-N 1 1 415.490 2.275 20 0 HEADMO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741187652 1076400870 /nfs/dbraw/zinc/40/08/70/1076400870.db2.gz SWPGMVMVGAMBLU-PKOBYXMFSA-N 1 1 403.523 2.355 20 0 HEADMO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741187652 1076400873 /nfs/dbraw/zinc/40/08/73/1076400873.db2.gz SWPGMVMVGAMBLU-PKOBYXMFSA-N 1 1 403.523 2.355 20 0 HEADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000741209312 1076404233 /nfs/dbraw/zinc/40/42/33/1076404233.db2.gz JIOFPOWBPUDGOC-UXHICEINSA-N 1 1 414.527 2.254 20 0 HEADMO C[NH+]1CCN([C@H](C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c2ccccc2)CC1 ZINC000741235268 1076429322 /nfs/dbraw/zinc/42/93/22/1076429322.db2.gz RUWHXADDWSHXBW-PMACEKPBSA-N 1 1 416.566 2.395 20 0 HEADMO CC[NH+]1CCN(CCCCNC(=O)NC[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000741267890 1076437399 /nfs/dbraw/zinc/43/73/99/1076437399.db2.gz DGFBVGOVDOZPJD-QGZVFWFLSA-N 1 1 400.926 2.229 20 0 HEADMO CCOC(=O)[C@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000741267543 1076437631 /nfs/dbraw/zinc/43/76/31/1076437631.db2.gz JOGOXYNKBYTLEJ-YLJYHZDGSA-N 1 1 403.523 2.392 20 0 HEADMO O=C(COC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1nnc([C@H]2CCCO2)o1 ZINC000741328348 1076478155 /nfs/dbraw/zinc/47/81/55/1076478155.db2.gz RKWORIMPNWNMIL-IAGOWNOFSA-N 1 1 414.462 2.315 20 0 HEADMO CC[NH+]1CCN(c2ccc(C(=O)OCc3nnnn3-c3ccccc3)cc2F)CC1 ZINC000741344213 1076488120 /nfs/dbraw/zinc/48/81/20/1076488120.db2.gz FPEOEEBZKRZEKR-UHFFFAOYSA-N 1 1 410.453 2.300 20 0 HEADMO CC[NH+]1CCN(c2ccc(C(=O)O[C@H](C(N)=O)c3ccc(F)cc3)cc2F)CC1 ZINC000741346117 1076488969 /nfs/dbraw/zinc/48/89/69/1076488969.db2.gz XDHUJKGSYJLBSQ-IBGZPJMESA-N 1 1 403.429 2.490 20 0 HEADMO C[C@H](NC(=O)N1CCCC[C@@H]1C1OCCO1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741430756 1076523077 /nfs/dbraw/zinc/52/30/77/1076523077.db2.gz DRVNTRFQZYNREI-DFQSSKMNSA-N 1 1 403.523 2.213 20 0 HEADMO C[C@H](NC(=O)N1CCCC[C@@H]1C1OCCO1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741430756 1076523079 /nfs/dbraw/zinc/52/30/79/1076523079.db2.gz DRVNTRFQZYNREI-DFQSSKMNSA-N 1 1 403.523 2.213 20 0 HEADMO C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741440136 1076529658 /nfs/dbraw/zinc/52/96/58/1076529658.db2.gz SRPYMDQPSZMKEV-DYESRHJHSA-N 1 1 410.518 2.097 20 0 HEADMO C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741440136 1076529662 /nfs/dbraw/zinc/52/96/62/1076529662.db2.gz SRPYMDQPSZMKEV-DYESRHJHSA-N 1 1 410.518 2.097 20 0 HEADMO C[NH+]1CCN(C(=O)CC2CCN(C(=S)N[C@H]3CCOc4ccccc43)CC2)CC1 ZINC000741488501 1076541065 /nfs/dbraw/zinc/54/10/65/1076541065.db2.gz LBOQLYASVDWJQH-IBGZPJMESA-N 1 1 416.591 2.261 20 0 HEADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000741576254 1076550334 /nfs/dbraw/zinc/55/03/34/1076550334.db2.gz GDSBGCLUHOSVSH-KOSHJBKYSA-N 1 1 407.514 2.485 20 0 HEADMO CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000741577101 1076550595 /nfs/dbraw/zinc/55/05/95/1076550595.db2.gz IRAUMENNTCSQIT-SNAUHIFDSA-N 1 1 406.530 2.491 20 0 HEADMO CC(=O)N1C[C@H](C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)Oc2ccccc21 ZINC000741579964 1076552506 /nfs/dbraw/zinc/55/25/06/1076552506.db2.gz WRHRQKYAGVUOIF-FDDCHVKYSA-N 1 1 422.529 2.127 20 0 HEADMO CC(C)c1ccc(N2CC[C@@H](C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2=O)cc1 ZINC000741693056 1076589001 /nfs/dbraw/zinc/58/90/01/1076589001.db2.gz JOQBPJFJPWXYNK-YADHBBJMSA-N 1 1 412.578 2.401 20 0 HEADMO 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/nfs/dbraw/zinc/76/49/06/1076764906.db2.gz RDLIDHIPWRPGEY-HZPDHXFCSA-N 1 1 412.456 2.478 20 0 HEADMO C/C(=C/C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000742183039 1076774199 /nfs/dbraw/zinc/77/41/99/1076774199.db2.gz OACFXUKMQGGXAV-ZCXUNETKSA-N 1 1 417.525 2.306 20 0 HEADMO Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742197929 1076784711 /nfs/dbraw/zinc/78/47/11/1076784711.db2.gz WXNJEHZUIHSGBD-KRWDZBQOSA-N 1 1 401.532 2.250 20 0 HEADMO Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742197929 1076784720 /nfs/dbraw/zinc/78/47/20/1076784720.db2.gz WXNJEHZUIHSGBD-KRWDZBQOSA-N 1 1 401.532 2.250 20 0 HEADMO C[NH+](C)CCN(C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C1CCCC1 ZINC000742254172 1076810112 /nfs/dbraw/zinc/81/01/12/1076810112.db2.gz VKVVVBDBQMUBRY-UHFFFAOYSA-N 1 1 424.498 2.129 20 0 HEADMO C[C@@H]1C[C@@H](NS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC[N@H+]1C ZINC000742308404 1076814401 /nfs/dbraw/zinc/81/44/01/1076814401.db2.gz 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Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(-n4ccnc4)n3)C2)C1 ZINC001164785099 721358808 /nfs/dbraw/zinc/35/88/08/721358808.db2.gz SAMPJVADEDRHGN-QFIPXVFZSA-N 1 1 423.521 2.386 20 0 HEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(F)cc3C(N)=O)C2)C1 ZINC001164781482 721361434 /nfs/dbraw/zinc/36/14/34/721361434.db2.gz JMUWFNAVDXGBSD-NRFANRHFSA-N 1 1 417.485 2.043 20 0 HEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(F)cc3C(N)=O)C2)C1 ZINC001164781482 721361440 /nfs/dbraw/zinc/36/14/40/721361440.db2.gz JMUWFNAVDXGBSD-NRFANRHFSA-N 1 1 417.485 2.043 20 0 HEADMO COC(=O)c1c(Cl)ccnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164894515 721386746 /nfs/dbraw/zinc/38/67/46/721386746.db2.gz YODVTPMTLDPWKO-KKSFZXQISA-N 1 1 422.957 2.287 20 0 HEADMO COc1cccc2c1ncnc2N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164890432 721393672 /nfs/dbraw/zinc/39/36/72/721393672.db2.gz NIAOZITXHWGZNW-MBSDFSHPSA-N 1 1 411.550 2.404 20 0 HEADMO COc1ccc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1 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CCOCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000766959370 1079522655 /nfs/dbraw/zinc/52/26/55/1079522655.db2.gz CEYPQUJAIDGJCE-LEWJYISDSA-N 1 1 400.523 2.161 20 0 HEADMO COC(=O)c1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc(C(=O)OC)c1 ZINC000766961987 1079526708 /nfs/dbraw/zinc/52/67/08/1079526708.db2.gz ARAAPOUPJUJKEH-OALUTQOASA-N 1 1 401.463 2.081 20 0 HEADMO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766949229 1079541991 /nfs/dbraw/zinc/54/19/91/1079541991.db2.gz GZBADTFQYPFTKH-IEBWSBKVSA-N 1 1 400.479 2.042 20 0 HEADMO COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766949229 1079542020 /nfs/dbraw/zinc/54/20/20/1079542020.db2.gz GZBADTFQYPFTKH-IEBWSBKVSA-N 1 1 400.479 2.042 20 0 HEADMO COC(=O)C[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000771863569 1079554396 /nfs/dbraw/zinc/55/43/96/1079554396.db2.gz PJKDYSPNEAYRRD-KSSFIOAISA-N 1 1 424.295 2.201 20 0 HEADMO COC(=O)C[C@@H]1CCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000771863569 1079554410 /nfs/dbraw/zinc/55/44/10/1079554410.db2.gz PJKDYSPNEAYRRD-KSSFIOAISA-N 1 1 424.295 2.201 20 0 HEADMO CCC[NH+]1CCN(c2ccc(N3C(=O)N[C@@H](c4ccn(C)n4)C3=O)cc2Cl)CC1 ZINC000771925489 1079575897 /nfs/dbraw/zinc/57/58/97/1079575897.db2.gz BMRXWCYSHSXEHZ-SFHVURJKSA-N 1 1 416.913 2.403 20 0 HEADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000767012287 1079587342 /nfs/dbraw/zinc/58/73/42/1079587342.db2.gz NRFXMNNJHXINNS-GOSISDBHSA-N 1 1 406.527 2.193 20 0 HEADMO CC(=O)NC1(c2noc(CCC(=O)OCCn3cc[nH+]c3C)n2)CCCCCC1 ZINC000771933986 1079589892 /nfs/dbraw/zinc/58/98/92/1079589892.db2.gz OLFBXJJBHBGLAN-UHFFFAOYSA-N 1 1 403.483 2.436 20 0 HEADMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000767019404 1079592338 /nfs/dbraw/zinc/59/23/38/1079592338.db2.gz YAFXWXLFOCLAAT-JKSUJKDBSA-N 1 1 408.543 2.188 20 0 HEADMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@](C)(O)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000767020974 1079595207 /nfs/dbraw/zinc/59/52/07/1079595207.db2.gz ZQFYKVHNOHZCPS-XLIONFOSSA-N 1 1 407.898 2.358 20 0 HEADMO CCOC(=O)C1=C(C[N@H+]2CCC[C@](C)(O)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000767020974 1079595223 /nfs/dbraw/zinc/59/52/23/1079595223.db2.gz ZQFYKVHNOHZCPS-XLIONFOSSA-N 1 1 407.898 2.358 20 0 HEADMO Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000771947947 1079597217 /nfs/dbraw/zinc/59/72/17/1079597217.db2.gz DCHQSNKNWVKUMK-NRFANRHFSA-N 1 1 411.550 2.324 20 0 HEADMO CC(C)[C@H](CNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000771951809 1079600103 /nfs/dbraw/zinc/60/01/03/1079600103.db2.gz NLCGUVMXOOOAJQ-BZSNNMDCSA-N 1 1 412.575 2.430 20 0 HEADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCc2sc(Br)cc2C1 ZINC000771975678 1079618098 /nfs/dbraw/zinc/61/80/98/1079618098.db2.gz DYPCDHCDTWBENO-OLZOCXBDSA-N 1 1 400.342 2.442 20 0 HEADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000767036238 1079620727 /nfs/dbraw/zinc/62/07/27/1079620727.db2.gz GGGCJJXZPFECDY-INIZCTEOSA-N 1 1 412.506 2.178 20 0 HEADMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000771996501 1079639494 /nfs/dbraw/zinc/63/94/94/1079639494.db2.gz VRVGWOGTXVSKGL-FGTMMUONSA-N 1 1 423.602 2.194 20 0 HEADMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771996501 1079639502 /nfs/dbraw/zinc/63/95/02/1079639502.db2.gz VRVGWOGTXVSKGL-FGTMMUONSA-N 1 1 423.602 2.194 20 0 HEADMO C[NH+](C)[C@H](CNS(=O)(=O)CCNC(=O)OCc1ccccc1)c1cccc(F)c1 ZINC000767080628 1079650641 /nfs/dbraw/zinc/65/06/41/1079650641.db2.gz NSMNZZPJMOWVMB-LJQANCHMSA-N 1 1 423.510 2.274 20 0 HEADMO CNC(=O)COc1cccc(CC(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000772032896 1079658190 /nfs/dbraw/zinc/65/81/90/1079658190.db2.gz MPFVMRBRXLBRNF-RBBKRZOGSA-N 1 1 407.514 2.497 20 0 HEADMO CCOC(Cn1cc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)nn1)OCC ZINC000767119384 1079686717 /nfs/dbraw/zinc/68/67/17/1079686717.db2.gz NCOCCGQBWMTXCH-QZTJIDSGSA-N 1 1 415.538 2.412 20 0 HEADMO CCOC(Cn1cc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)nn1)OCC ZINC000767119384 1079686721 /nfs/dbraw/zinc/68/67/21/1079686721.db2.gz NCOCCGQBWMTXCH-QZTJIDSGSA-N 1 1 415.538 2.412 20 0 HEADMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000767126060 1079693268 /nfs/dbraw/zinc/69/32/68/1079693268.db2.gz PCJVZKCNRCEJKB-OAHLLOKOSA-N 1 1 408.442 2.350 20 0 HEADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(I)c(F)cc1F ZINC000772068798 1079706931 /nfs/dbraw/zinc/70/69/31/1079706931.db2.gz CCNDQQVUMWCSIG-ZJUUUORDSA-N 1 1 422.213 2.162 20 0 HEADMO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC001170038222 1079709963 /nfs/dbraw/zinc/70/99/63/1079709963.db2.gz CCMBWMYZFLDNPD-SJORKVTESA-N 1 1 411.543 2.262 20 0 HEADMO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC001170038222 1079709982 /nfs/dbraw/zinc/70/99/82/1079709982.db2.gz CCMBWMYZFLDNPD-SJORKVTESA-N 1 1 411.543 2.262 20 0 HEADMO O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772220092 1079746232 /nfs/dbraw/zinc/74/62/32/1079746232.db2.gz HATDYNIWTBPIBJ-MSOLQXFVSA-N 1 1 400.504 2.217 20 0 HEADMO COc1ccc([C@H](OC)[C@@H](C)NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000772272442 1079774567 /nfs/dbraw/zinc/77/45/67/1079774567.db2.gz LXGKQNOKNRTDAE-JLTOFOAXSA-N 1 1 423.473 2.415 20 0 HEADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000767300374 1079800659 /nfs/dbraw/zinc/80/06/59/1079800659.db2.gz RSYROXBQGAGHSO-OAHLLOKOSA-N 1 1 412.456 2.415 20 0 HEADMO COC(=O)/C=C/c1ccc(OCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000767330749 1079808141 /nfs/dbraw/zinc/80/81/41/1079808141.db2.gz IJPNBHHDKGREBW-HUOGQDQXSA-N 1 1 401.551 2.209 20 0 HEADMO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772352167 1079812641 /nfs/dbraw/zinc/81/26/41/1079812641.db2.gz UXFDTEDQKNRLEY-INIZCTEOSA-N 1 1 400.523 2.419 20 0 HEADMO CCCCn1ncc(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1C ZINC000772331004 1079823622 /nfs/dbraw/zinc/82/36/22/1079823622.db2.gz CEJNBBUPBUGVHJ-UHFFFAOYSA-N 1 1 420.554 2.300 20 0 HEADMO NC(=O)c1cc(OC2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)ccn1 ZINC000772334851 1079828662 /nfs/dbraw/zinc/82/86/62/1079828662.db2.gz ZMAAWHVNHPHXGP-JXFKEZNVSA-N 1 1 400.523 2.205 20 0 HEADMO O=S1(=O)CCC(O)(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)CC1 ZINC000767363888 1079829711 /nfs/dbraw/zinc/82/97/11/1079829711.db2.gz KXQSDZWRYRTTJJ-MRXNPFEDSA-N 1 1 402.354 2.396 20 0 HEADMO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772336289 1079829763 /nfs/dbraw/zinc/82/97/63/1079829763.db2.gz MRLQGOVYBZVXNT-HNAYVOBHSA-N 1 1 424.501 2.052 20 0 HEADMO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000772347208 1079836621 /nfs/dbraw/zinc/83/66/21/1079836621.db2.gz NSCMSTFRMOYGHH-KSZLIROESA-N 1 1 412.575 2.430 20 0 HEADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000767463191 1079865617 /nfs/dbraw/zinc/86/56/17/1079865617.db2.gz TXZNEDUZCQIMHK-NRFANRHFSA-N 1 1 413.566 2.030 20 0 HEADMO O=C(COC(=O)c1ccn(Cc2ccccc2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000772456424 1079887166 /nfs/dbraw/zinc/88/71/66/1079887166.db2.gz IDKBCFBQOUBCBO-UHFFFAOYSA-N 1 1 418.497 2.433 20 0 HEADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Nc3cnn(C(F)F)c3)c2)C1 ZINC000772465406 1079890721 /nfs/dbraw/zinc/89/07/21/1079890721.db2.gz HXWGJBPMCPWLKW-OAHLLOKOSA-N 1 1 406.437 2.297 20 0 HEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000772487552 1079902971 /nfs/dbraw/zinc/90/29/71/1079902971.db2.gz IAAYCMMTTCRNDQ-IAGOWNOFSA-N 1 1 412.515 2.151 20 0 HEADMO CC[NH+]1CCN(C(=O)c2cc(Cl)ccc2OS(=O)(=O)CCCCOC)CC1 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PXGTYYSFSDHKTR-UHFFFAOYSA-N 1 1 422.551 2.286 20 0 HEADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NCc1cc(Br)nn1C ZINC000785491211 1080016233 /nfs/dbraw/zinc/01/62/33/1080016233.db2.gz FNCYMCFHIWNKND-UHFFFAOYSA-N 1 1 422.327 2.191 20 0 HEADMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000767674828 1080019775 /nfs/dbraw/zinc/01/97/75/1080019775.db2.gz YULZZXBALGVOGQ-UHFFFAOYSA-N 1 1 419.494 2.152 20 0 HEADMO NS(=O)(=O)c1ccc(CCOC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000767644899 1080020289 /nfs/dbraw/zinc/02/02/89/1080020289.db2.gz UTJPCVZLXMUPHS-FQEVSTJZSA-N 1 1 402.516 2.474 20 0 HEADMO NS(=O)(=O)c1ccc(CCOC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000767644899 1080020300 /nfs/dbraw/zinc/02/03/00/1080020300.db2.gz UTJPCVZLXMUPHS-FQEVSTJZSA-N 1 1 402.516 2.474 20 0 HEADMO CC[C@]1(C)CN(CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CCO1 ZINC000785509677 1080027892 /nfs/dbraw/zinc/02/78/92/1080027892.db2.gz DWYABLJLQINDOG-YADHBBJMSA-N 1 1 400.523 2.031 20 0 HEADMO 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