smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)C2)nc1 ZINC000766331400 1078492206 /nfs/dbraw/zinc/49/22/06/1078492206.db2.gz LWIHTXJDZVEXQF-IAGOWNOFSA-N 1 0 404.511 2.482 20 0 HEADRO C[C@H](C[C@@H](C)[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)NC(=O)OC(C)(C)C ZINC000769692310 1078521385 /nfs/dbraw/zinc/52/13/85/1078521385.db2.gz IAFZNJXTNDKTKY-QZTJIDSGSA-N 1 0 419.570 2.402 20 0 HEADRO CC(C)N1C(=O)c2ccc(C(=O)NCC[N@@H+]3CCCC(C)(C)C3)cc2S1(=O)=O ZINC000769708278 1078530310 /nfs/dbraw/zinc/53/03/10/1078530310.db2.gz RUTFBPZJLVXDAR-UHFFFAOYSA-N 1 0 407.536 2.091 20 0 HEADRO C[C@H](CC(=O)NCC[N@@H+]1CCCC(C)(C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000769708357 1078530457 /nfs/dbraw/zinc/53/04/57/1078530457.db2.gz TZOOMRSZHZBICP-CQSZACIVSA-N 1 0 416.975 2.030 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)/C=C\c2cnc(C(C)(C)C)s2)C1 ZINC000745679277 1078583377 /nfs/dbraw/zinc/58/33/77/1078583377.db2.gz ZLEPRKRNAYPRAS-MWWKQMNYSA-N 1 0 423.579 2.470 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)/C=C/c2cnc(C(C)(C)C)s2)C1 ZINC000745679275 1078583411 /nfs/dbraw/zinc/58/34/11/1078583411.db2.gz ZLEPRKRNAYPRAS-FYCOFBDGSA-N 1 0 423.579 2.470 20 0 HEADRO C[C@@H](NC(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)C(=O)N1CCCCC1 ZINC000769919579 1078634828 /nfs/dbraw/zinc/63/48/28/1078634828.db2.gz ACSNJHSZHSJZBZ-AEFFLSMTSA-N 1 0 424.586 2.177 20 0 HEADRO COC(=O)C1CCN(C(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000769918877 1078635492 /nfs/dbraw/zinc/63/54/92/1078635492.db2.gz CQQZPAOGYACLPU-QGZVFWFLSA-N 1 0 411.543 2.071 20 0 HEADRO C[C@H]1C[NH+](Cc2ccc(CNS(=O)(=O)c3cn(C)c(Cl)n3)cc2)C[C@H](C)O1 ZINC000769892163 1078645828 /nfs/dbraw/zinc/64/58/28/1078645828.db2.gz HFUMPQYMDRHRMC-KBPBESRZSA-N 1 0 412.943 2.161 20 0 HEADRO CCc1ccc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CC2)cc1 ZINC000745795979 1078651454 /nfs/dbraw/zinc/65/14/54/1078651454.db2.gz NCIRQTIINSSGJI-NRFANRHFSA-N 1 0 415.582 2.023 20 0 HEADRO CCc1ccc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)cc1 ZINC000745795980 1078651514 /nfs/dbraw/zinc/65/15/14/1078651514.db2.gz NCIRQTIINSSGJI-OAQYLSRUSA-N 1 0 415.582 2.023 20 0 HEADRO Cn1cc([C@H](O)CNC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000745821082 1078663827 /nfs/dbraw/zinc/66/38/27/1078663827.db2.gz VYOCYAGSGVPMLE-IAGOWNOFSA-N 1 0 411.428 2.046 20 0 HEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)C1 ZINC000745829893 1078666366 /nfs/dbraw/zinc/66/63/66/1078666366.db2.gz IDECDKWUQKGSPA-SJLPKXTDSA-N 1 0 422.957 2.480 20 0 HEADRO Cc1noc(CCC(=O)O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000769979333 1078672165 /nfs/dbraw/zinc/67/21/65/1078672165.db2.gz LMEDBZKTLQFUFV-OAHLLOKOSA-N 1 0 400.479 2.023 20 0 HEADRO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000769979121 1078672197 /nfs/dbraw/zinc/67/21/97/1078672197.db2.gz ZBHBJCOHNSJRFS-AZUAARDMSA-N 1 0 415.538 2.016 20 0 HEADRO O=C(c1nccn2c(Br)cnc12)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000769982659 1078673307 /nfs/dbraw/zinc/67/33/07/1078673307.db2.gz GSUKDQQYWLBEJB-AWEZNQCLSA-N 1 0 422.327 2.209 20 0 HEADRO COc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769984459 1078673953 /nfs/dbraw/zinc/67/39/53/1078673953.db2.gz UXGDFQQCSHDYSY-FQEVSTJZSA-N 1 0 411.502 2.122 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000745858863 1078675834 /nfs/dbraw/zinc/67/58/34/1078675834.db2.gz MWWCUQUNWUDXBS-URXFXBBRSA-N 1 0 422.529 2.037 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)CC1 ZINC000745861220 1078676332 /nfs/dbraw/zinc/67/63/32/1078676332.db2.gz APZSKFDMPWMGJE-GHTZIAJQSA-N 1 0 406.571 2.080 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000745861609 1078676376 /nfs/dbraw/zinc/67/63/76/1078676376.db2.gz CTZPPTLPPCHLNY-MAUKXSAKSA-N 1 0 416.488 2.312 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000745861213 1078676459 /nfs/dbraw/zinc/67/64/59/1078676459.db2.gz ANABWEVVXNSVPV-CRAIPNDOSA-N 1 0 416.488 2.312 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](O)c2cccc(OC(C)C)c2)CC1 ZINC000745861223 1078676965 /nfs/dbraw/zinc/67/69/65/1078676965.db2.gz APZSKFDMPWMGJE-RXVVDRJESA-N 1 0 406.571 2.080 20 0 HEADRO C[C@@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000745861702 1078677007 /nfs/dbraw/zinc/67/70/07/1078677007.db2.gz DQMNDYIXRLHYBJ-GUYCJALGSA-N 1 0 403.354 2.210 20 0 HEADRO Cc1cc([C@@](C)(O)CNC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c(C)o1 ZINC000745877937 1078681767 /nfs/dbraw/zinc/68/17/67/1078681767.db2.gz FRBQKPKZJNHHED-NRFANRHFSA-N 1 0 406.571 2.353 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C)cc4)C3=O)CC2)c1 ZINC000745884194 1078685811 /nfs/dbraw/zinc/68/58/11/1078685811.db2.gz HWWUGBLCAVWHGP-HXUWFJFHSA-N 1 0 423.517 2.426 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000770015876 1078687965 /nfs/dbraw/zinc/68/79/65/1078687965.db2.gz KILUTTPWPRLUSR-UHOSZYNNSA-N 1 0 403.502 2.317 20 0 HEADRO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000770025594 1078692986 /nfs/dbraw/zinc/69/29/86/1078692986.db2.gz UVRBBVOMXWUAKO-PKOBYXMFSA-N 1 0 403.502 2.146 20 0 HEADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745942610 1078697053 /nfs/dbraw/zinc/69/70/53/1078697053.db2.gz MXZBRDDSJAURLN-UHFFFAOYSA-N 1 0 412.943 2.253 20 0 HEADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000745942819 1078697140 /nfs/dbraw/zinc/69/71/40/1078697140.db2.gz SUCXSFULHOBFKC-HKUYNNGSSA-N 1 0 409.552 2.049 20 0 HEADRO C[C@@](O)(CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000770035371 1078698713 /nfs/dbraw/zinc/69/87/13/1078698713.db2.gz LTCLELWMKZPMSO-HSZRJFAPSA-N 1 0 413.493 2.426 20 0 HEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000745926619 1078699432 /nfs/dbraw/zinc/69/94/32/1078699432.db2.gz QJXCZOIXKJSDCM-QGZVFWFLSA-N 1 0 411.591 2.101 20 0 HEADRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)ccc2NC1=O ZINC000745933574 1078701150 /nfs/dbraw/zinc/70/11/50/1078701150.db2.gz VOHJSBPCNKBDRQ-DNMXQMFDSA-N 1 0 402.495 2.020 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCSCC(F)(F)F)cc2)CC1 ZINC000770047906 1078704569 /nfs/dbraw/zinc/70/45/69/1078704569.db2.gz PRVWSPUUFZAVPR-UHFFFAOYSA-N 1 0 418.485 2.179 20 0 HEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000745997829 1078725240 /nfs/dbraw/zinc/72/52/40/1078725240.db2.gz WTFDRIBNKKPUQN-CQSZACIVSA-N 1 0 401.960 2.441 20 0 HEADRO C[NH+](C)C1(CNC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)CCOCC1 ZINC000746021469 1078737189 /nfs/dbraw/zinc/73/71/89/1078737189.db2.gz CUSVFXNEJKGVNV-UHFFFAOYSA-N 1 0 417.550 2.276 20 0 HEADRO CCC(CC)(CCO)CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000746043058 1078752234 /nfs/dbraw/zinc/75/22/34/1078752234.db2.gz BLPPBZDOCXKZSV-UHFFFAOYSA-N 1 0 418.582 2.461 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(CC)(CC)CCO)cc2)CC1 ZINC000746043276 1078752279 /nfs/dbraw/zinc/75/22/79/1078752279.db2.gz FKWPLIOJFPWEJV-UHFFFAOYSA-N 1 0 404.555 2.072 20 0 HEADRO CO[C@@]1(C)C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1(C)C ZINC000746044461 1078753302 /nfs/dbraw/zinc/75/33/02/1078753302.db2.gz OYSDAAWEAUMWAU-GCJKJVERSA-N 1 0 402.539 2.087 20 0 HEADRO COc1ccc([C@H](C)[NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000746048372 1078757730 /nfs/dbraw/zinc/75/77/30/1078757730.db2.gz GQKYBIFKLOQOLD-HNNXBMFYSA-N 1 0 407.511 2.434 20 0 HEADRO CN(Cc1ccn(-c2ccccc2)n1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000746136190 1078802725 /nfs/dbraw/zinc/80/27/25/1078802725.db2.gz GXMYXKNQQULXPS-UHFFFAOYSA-N 1 0 404.518 2.438 20 0 HEADRO O=C(NCCNS(=O)(=O)Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000746125269 1078797907 /nfs/dbraw/zinc/79/79/07/1078797907.db2.gz PEEWAHLWOWFEFB-OAQYLSRUSA-N 1 0 415.559 2.277 20 0 HEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000746128235 1078800069 /nfs/dbraw/zinc/80/00/69/1078800069.db2.gz OHFNPQPVWMZHRI-UHFFFAOYSA-N 1 0 416.566 2.307 20 0 HEADRO Cc1cc(NC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000770254494 1078813990 /nfs/dbraw/zinc/81/39/90/1078813990.db2.gz RKHINDQRJPWIND-VQIMIIECSA-N 1 0 415.542 2.169 20 0 HEADRO CC[NH+]1CCN(CC(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000746186712 1078812640 /nfs/dbraw/zinc/81/26/40/1078812640.db2.gz UQKSUHZQKPFGCL-OALUTQOASA-N 1 0 408.587 2.405 20 0 HEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000746196167 1078815776 /nfs/dbraw/zinc/81/57/76/1078815776.db2.gz GIBDYYZOIFDOFR-AUSIDOKSSA-N 1 0 417.550 2.481 20 0 HEADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)C2=O)cc1 ZINC000746196514 1078815832 /nfs/dbraw/zinc/81/58/32/1078815832.db2.gz JVZVPHVFKXSTMF-FDDCHVKYSA-N 1 0 414.550 2.246 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000770335079 1078816288 /nfs/dbraw/zinc/81/62/88/1078816288.db2.gz GROXVYIBOZCTKK-QRQLOZEOSA-N 1 0 403.502 2.317 20 0 HEADRO O=C(Oc1ccccc1)N1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000746201014 1078816965 /nfs/dbraw/zinc/81/69/65/1078816965.db2.gz HNXGTQQALWDKCV-DEOSSOPVSA-N 1 0 423.513 2.357 20 0 HEADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@H]3CSCN3C(=O)OC(C)(C)C)nc2)C1 ZINC000746206260 1078818180 /nfs/dbraw/zinc/81/81/80/1078818180.db2.gz RXGJCJJWYIJBFM-JKSUJKDBSA-N 1 0 421.567 2.470 20 0 HEADRO C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000746224860 1078826251 /nfs/dbraw/zinc/82/62/51/1078826251.db2.gz JXAPKRKOLWVTAG-YLJYHZDGSA-N 1 0 405.498 2.037 20 0 HEADRO CC(C)(C)OC(=O)N(CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000746208540 1078818927 /nfs/dbraw/zinc/81/89/27/1078818927.db2.gz LWHIGJQLPKWLBQ-UHFFFAOYSA-N 1 0 417.554 2.109 20 0 HEADRO C=CC(=O)NCCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000746190881 1078820165 /nfs/dbraw/zinc/82/01/65/1078820165.db2.gz BTBFDHVYZNGRJM-UHFFFAOYSA-N 1 0 424.339 2.101 20 0 HEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000746190324 1078820482 /nfs/dbraw/zinc/82/04/82/1078820482.db2.gz IPLQRZSQAUVDLH-QZTJIDSGSA-N 1 0 408.587 2.260 20 0 HEADRO Cc1ncc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)s1 ZINC001170014033 1078825140 /nfs/dbraw/zinc/82/51/40/1078825140.db2.gz MKUADUWBXQJEAV-HIFRSBDPSA-N 1 0 412.581 2.452 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(C(=O)OCC[NH+]2CCCCC2)cc1Br ZINC000770364464 1078831188 /nfs/dbraw/zinc/83/11/88/1078831188.db2.gz FPKIPLQXANCPQN-UHFFFAOYSA-N 1 0 419.341 2.342 20 0 HEADRO O=C(/C=C\c1ccccc1)N1CCC(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000770367265 1078832236 /nfs/dbraw/zinc/83/22/36/1078832236.db2.gz JJMQUZSQNQXXDH-GMAFFVFYSA-N 1 0 413.562 2.292 20 0 HEADRO 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 1078832362 /nfs/dbraw/zinc/83/23/62/1078832362.db2.gz BJUDFJVETRAQMF-LZLYRXPVSA-N 1 0 424.586 2.032 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000770350026 1078838118 /nfs/dbraw/zinc/83/81/18/1078838118.db2.gz JMCQEFGZUGOPRU-GOSISDBHSA-N 1 0 401.555 2.029 20 0 HEADRO COCCC[NH+]1CCC(NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770390210 1078840876 /nfs/dbraw/zinc/84/08/76/1078840876.db2.gz DCZFHNMPWNFRSQ-IBGZPJMESA-N 1 0 403.523 2.262 20 0 HEADRO C[C@@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000746292172 1078843830 /nfs/dbraw/zinc/84/38/30/1078843830.db2.gz CTRABUFWSHWJHR-HFJQGTKSSA-N 1 0 417.550 2.385 20 0 HEADRO Cn1ccnc1[C@](O)(CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000746297425 1078846049 /nfs/dbraw/zinc/84/60/49/1078846049.db2.gz XEPXNJYKFFBVBK-JCKWVBRZSA-N 1 0 400.445 2.035 20 0 HEADRO COCCOc1cc2c(cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1)OCO2 ZINC000770385255 1078849408 /nfs/dbraw/zinc/84/94/08/1078849408.db2.gz JPXNOTJWZOLCSN-ZWKOTPCHSA-N 1 0 403.479 2.262 20 0 HEADRO O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000746309168 1078849602 /nfs/dbraw/zinc/84/96/02/1078849602.db2.gz HUIYHEDRWXCWEZ-QGZVFWFLSA-N 1 0 412.456 2.211 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)CC2)c1 ZINC000770433995 1078852788 /nfs/dbraw/zinc/85/27/88/1078852788.db2.gz IFYDIAYLSPLEPL-LJQANCHMSA-N 1 0 424.501 2.398 20 0 HEADRO C[C@H](CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000746321578 1078858100 /nfs/dbraw/zinc/85/81/00/1078858100.db2.gz KSNJHYJUAOBNGC-DUXKGJEZSA-N 1 0 406.546 2.307 20 0 HEADRO CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000746332674 1078861893 /nfs/dbraw/zinc/86/18/93/1078861893.db2.gz OOUIGTXITPPMSA-GCJKJVERSA-N 1 0 403.523 2.091 20 0 HEADRO CC(C)[NH+](CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(C)C ZINC000746340989 1078866508 /nfs/dbraw/zinc/86/65/08/1078866508.db2.gz DXXSUNMGZIXNAC-NRFANRHFSA-N 1 0 406.502 2.218 20 0 HEADRO CC(C)[NH+](CCCNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C(C)C ZINC000746347687 1078867970 /nfs/dbraw/zinc/86/79/70/1078867970.db2.gz QJTGOZIRUTZWNL-JOCHJYFZSA-N 1 0 400.523 2.005 20 0 HEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770520718 1078882834 /nfs/dbraw/zinc/88/28/34/1078882834.db2.gz GQXSHRXPTGYHGQ-VQTJNVASSA-N 1 0 403.523 2.214 20 0 HEADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2=NN(CC(C)C)C(=O)CC2)CC1 ZINC000766346862 1078883560 /nfs/dbraw/zinc/88/35/60/1078883560.db2.gz HBKRSGHOJFMYPI-UHFFFAOYSA-N 1 0 413.566 2.075 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000770523393 1078883589 /nfs/dbraw/zinc/88/35/89/1078883589.db2.gz PHYXDXWXSSGECP-KURKYZTESA-N 1 0 410.559 2.232 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000770588619 1078899107 /nfs/dbraw/zinc/89/91/07/1078899107.db2.gz BWNWOQJZKFKLSH-GUYCJALGSA-N 1 0 403.354 2.352 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000770590519 1078899544 /nfs/dbraw/zinc/89/95/44/1078899544.db2.gz YAADKSVRPFEINQ-LJQANCHMSA-N 1 0 416.614 2.047 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000770592142 1078899929 /nfs/dbraw/zinc/89/99/29/1078899929.db2.gz BGSZWXYWIPRDDW-CXAGYDPISA-N 1 0 403.354 2.352 20 0 HEADRO C[C@H](OC(=O)c1cccc([S@@](C)=O)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000770599132 1078902158 /nfs/dbraw/zinc/90/21/58/1078902158.db2.gz XPLKUGAYUNYLPS-FVJSMHJDSA-N 1 0 414.527 2.360 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2CC[C@@H]3CN(CC(C)C)S(=O)(=O)[C@@H]3CC2)CC1 ZINC001168780842 1078904418 /nfs/dbraw/zinc/90/44/18/1078904418.db2.gz WUPZROCWVMYLFP-BOHSKOPMSA-N 1 0 400.585 2.490 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766363167 1078924845 /nfs/dbraw/zinc/92/48/45/1078924845.db2.gz HAJUTOHISJZNAN-SLFFLAALSA-N 1 0 401.507 2.015 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770647951 1078937130 /nfs/dbraw/zinc/93/71/30/1078937130.db2.gz CVXWRQFFZRFCOH-BQJUDKOJSA-N 1 0 415.534 2.355 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCSC4(CCOCC4)C3)cc2)CC1 ZINC000770685181 1078934108 /nfs/dbraw/zinc/93/41/08/1078934108.db2.gz KVGZXNSQROJXEP-UHFFFAOYSA-N 1 0 418.607 2.365 20 0 HEADRO CCC[C@H]1CN(CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)CC[N@@H+]1CCOC ZINC000766378042 1078944859 /nfs/dbraw/zinc/94/48/59/1078944859.db2.gz VPDAMPZIVPQWDP-PGRDOPGGSA-N 1 0 402.539 2.152 20 0 HEADRO CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000766403583 1078954706 /nfs/dbraw/zinc/95/47/06/1078954706.db2.gz AGYKFHRVOZZNCV-UHFFFAOYSA-N 1 0 418.538 2.294 20 0 HEADRO Cn1ncc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1C1CC1 ZINC000770730522 1078955373 /nfs/dbraw/zinc/95/53/73/1078955373.db2.gz MYWHHIPSXHKLDG-CQSZACIVSA-N 1 0 401.536 2.326 20 0 HEADRO O=C(Nc1cnn(Cc2ccncc2)c1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000746435680 1078956283 /nfs/dbraw/zinc/95/62/83/1078956283.db2.gz GTNUFDYTHOEZIH-UHFFFAOYSA-N 1 0 410.522 2.178 20 0 HEADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000746452515 1078981076 /nfs/dbraw/zinc/98/10/76/1078981076.db2.gz LHQNGDQMQFPJLW-SCLBCKFNSA-N 1 0 403.454 2.026 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCc3ccc(Cl)nc3)c2)CC1 ZINC000770758608 1078981428 /nfs/dbraw/zinc/98/14/28/1078981428.db2.gz PAMWVVCVKRKDKP-UHFFFAOYSA-N 1 0 415.925 2.174 20 0 HEADRO CC[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H](C)c1cccc(O)c1 ZINC000746453359 1078982525 /nfs/dbraw/zinc/98/25/25/1078982525.db2.gz INSHKLCEFGYBBM-HNNXBMFYSA-N 1 0 402.495 2.451 20 0 HEADRO COC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000746454129 1078983460 /nfs/dbraw/zinc/98/34/60/1078983460.db2.gz QDNPCGBYPDDHIT-KSSFIOAISA-N 1 0 400.479 2.279 20 0 HEADRO COc1cccc(NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1F ZINC000770765801 1078986122 /nfs/dbraw/zinc/98/61/22/1078986122.db2.gz PPZVJUPLYLPRFV-QGZVFWFLSA-N 1 0 415.465 2.046 20 0 HEADRO Cc1cc(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n(C2CCOCC2)n1 ZINC001168791153 1078989615 /nfs/dbraw/zinc/98/96/15/1078989615.db2.gz DMQCUXXTZQODBR-HSZRJFAPSA-N 1 0 412.534 2.252 20 0 HEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC001168791241 1078992211 /nfs/dbraw/zinc/99/22/11/1078992211.db2.gz GBASPMIFFSCFKG-ZBFHGGJFSA-N 1 0 409.741 2.203 20 0 HEADRO C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C[C@@H]1C ZINC000766445770 1078993525 /nfs/dbraw/zinc/99/35/25/1078993525.db2.gz LTWUDUFSMAEYDY-OWCLPIDISA-N 1 0 418.581 2.205 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)C1 ZINC000746455407 1078994224 /nfs/dbraw/zinc/99/42/24/1078994224.db2.gz SVUUMUPSOQCLAG-INIZCTEOSA-N 1 0 402.495 2.066 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(CO)cc2)C[C@H]1C(=O)N1CCSC1 ZINC001170017208 1078994244 /nfs/dbraw/zinc/99/42/44/1078994244.db2.gz BFJULQWNOQCOFN-ROUUACIJSA-N 1 0 421.563 2.179 20 0 HEADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000766428815 1078997326 /nfs/dbraw/zinc/99/73/26/1078997326.db2.gz LPTVXMHYQJZXMX-IRXDYDNUSA-N 1 0 419.551 2.054 20 0 HEADRO Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000804278530 1078998460 /nfs/dbraw/zinc/99/84/60/1078998460.db2.gz BDCCYBRSIJEYGB-JOCHJYFZSA-N 1 0 420.557 2.282 20 0 HEADRO CC[C@H](NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)[C@@H](O)c1ccccc1 ZINC000770749584 1079005496 /nfs/dbraw/zinc/00/54/96/1079005496.db2.gz FZNCGOYNDITYOL-VXKWHMMOSA-N 1 0 424.545 2.395 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)C1 ZINC000770797015 1079021370 /nfs/dbraw/zinc/02/13/70/1079021370.db2.gz YQQWRHSFXCAHHH-DOTOQJQBSA-N 1 0 416.522 2.332 20 0 HEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@H](CO)c3ccsc3)cc2)CC1 ZINC000770787514 1079015531 /nfs/dbraw/zinc/01/55/31/1079015531.db2.gz NVACFVYSIOKPSU-LJQANCHMSA-N 1 0 416.547 2.067 20 0 HEADRO Cn1c(-c2ccccc2F)nn(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1=S ZINC000738214151 1079017027 /nfs/dbraw/zinc/01/70/27/1079017027.db2.gz NKWVVZZKZFUHLF-MRXNPFEDSA-N 1 0 404.559 2.426 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)C1 ZINC000770797019 1079021478 /nfs/dbraw/zinc/02/14/78/1079021478.db2.gz YQQWRHSFXCAHHH-RDJZCZTQSA-N 1 0 416.522 2.332 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000770805576 1079026549 /nfs/dbraw/zinc/02/65/49/1079026549.db2.gz ZKTSKUFSZLXNPH-HNNXBMFYSA-N 1 0 422.620 2.246 20 0 HEADRO CC(C)CN1N=C(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCC1=O ZINC000766494873 1079037676 /nfs/dbraw/zinc/03/76/76/1079037676.db2.gz HEWBFEUFSFOCBI-UHFFFAOYSA-N 1 0 413.522 2.085 20 0 HEADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000746482394 1079041099 /nfs/dbraw/zinc/04/10/99/1079041099.db2.gz PDYMLJNUYKJPDG-KRWDZBQOSA-N 1 0 400.466 2.299 20 0 HEADRO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)C2 ZINC001168807225 1079043242 /nfs/dbraw/zinc/04/32/42/1079043242.db2.gz NORYETCNXAETPA-CGTJXYLNSA-N 1 0 405.539 2.340 20 0 HEADRO 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 1079054867 /nfs/dbraw/zinc/05/48/67/1079054867.db2.gz PDNSLZAVUCDCJD-WNHJNPCNSA-N 1 0 400.523 2.370 20 0 HEADRO 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 1079056419 /nfs/dbraw/zinc/05/64/19/1079056419.db2.gz ZXDPAPBMOGJFGB-QQXKLLMISA-N 1 0 409.571 2.493 20 0 HEADRO C[C@@H]1C[C@@H]([N@@H+]2CCCC23CCN(CC(=O)N(C)C)CC3)CN1C(=O)OC(C)(C)C ZINC001168865414 1079057416 /nfs/dbraw/zinc/05/74/16/1079057416.db2.gz MBQFOYAKSKZGFX-QZTJIDSGSA-N 1 0 408.587 2.403 20 0 HEADRO 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 1079058133 /nfs/dbraw/zinc/05/81/33/1079058133.db2.gz QPWUZXAFQOBXCN-WHSLLNHNSA-N 1 0 403.527 2.247 20 0 HEADRO C[C@@H]1C[C@H]([NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)CN1C(=O)OC(C)(C)C ZINC001168869890 1079059428 /nfs/dbraw/zinc/05/94/28/1079059428.db2.gz YUKDHBOUAMPYAS-BPQIPLTHSA-N 1 0 417.554 2.256 20 0 HEADRO C[C@@H]1C[C@H](n2nc(C(=O)N3CCCC3)c3c2CC[NH2+]C3)CN1C(=O)OC(C)(C)C ZINC001168849712 1079061146 /nfs/dbraw/zinc/06/11/46/1079061146.db2.gz LKGHDBTWARBKAO-CABCVRRESA-N 1 0 403.527 2.335 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)COc3ccc(OC)cc3)CC2=O)cc1 ZINC001168892294 1079063003 /nfs/dbraw/zinc/06/30/03/1079063003.db2.gz LNNXZHWEIIXVQX-OALUTQOASA-N 1 0 414.502 2.224 20 0 HEADRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000766534126 1079070181 /nfs/dbraw/zinc/07/01/81/1079070181.db2.gz HDPHRKPGFGSZSW-GDBMZVCRSA-N 1 0 402.607 2.207 20 0 HEADRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000766535043 1079070416 /nfs/dbraw/zinc/07/04/16/1079070416.db2.gz LNRIAFMQLIUOOJ-GDBMZVCRSA-N 1 0 402.607 2.207 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]C3CCN(C(=O)c4ccncc4)CC3)CC2=O)cc1 ZINC001168910527 1079073110 /nfs/dbraw/zinc/07/31/10/1079073110.db2.gz XPOJKFIFYUXQDE-OAQYLSRUSA-N 1 0 422.529 2.476 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](CN3C(=O)CCC3=O)C(C)(C)C)CC2=O)cc1 ZINC001168919738 1079075930 /nfs/dbraw/zinc/07/59/30/1079075930.db2.gz IRUCMAHHCWYWDX-MJGOQNOKSA-N 1 0 415.534 2.340 20 0 HEADRO C[C@H]1C[C@H](N(C2CC[NH2+]CC2)S(=O)(=O)c2ccccn2)CN1C(=O)OC(C)(C)C ZINC001168883630 1079067895 /nfs/dbraw/zinc/06/78/95/1079067895.db2.gz RIIOTWZPFMVEOG-RDJZCZTQSA-N 1 0 424.567 2.222 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@H](Oc4ncc(F)cn4)C3)CC2=O)cc1 ZINC001168959404 1079091837 /nfs/dbraw/zinc/09/18/37/1079091837.db2.gz VREKDGVSGHJQFZ-HKUYNNGSSA-N 1 0 400.454 2.269 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(C(=O)c4cccnc4)CC3)CC2=O)cc1 ZINC001168948621 1079084131 /nfs/dbraw/zinc/08/41/31/1079084131.db2.gz TZCJVQLSSKSFGM-FQEVSTJZSA-N 1 0 408.502 2.039 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CCC[C@@H](NC(=O)c4ccncc4)C3)CC2=O)cc1 ZINC001168952760 1079085593 /nfs/dbraw/zinc/08/55/93/1079085593.db2.gz GDMZGKRDKBBRJX-RTWAWAEBSA-N 1 0 422.529 2.476 20 0 HEADRO C[NH+]1C[C@@]2(C)CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)C[C@]2(C)C1 ZINC001168928928 1079087572 /nfs/dbraw/zinc/08/75/72/1079087572.db2.gz DDEDDHLIRGPXEV-SFTDATJTSA-N 1 0 423.554 2.027 20 0 HEADRO C[NH+]1CCC(CNC(=O)c2cccc(NS(C)(=O)=O)c2)(c2ccccc2)CC1 ZINC001168955094 1079089972 /nfs/dbraw/zinc/08/99/72/1079089972.db2.gz GOFJZSJICFZHPV-UHFFFAOYSA-N 1 0 401.532 2.452 20 0 HEADRO O=C(N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001168955304 1079090264 /nfs/dbraw/zinc/09/02/64/1079090264.db2.gz LJJKXVUIJGWSGR-WOJBJXKFSA-N 1 0 414.531 2.370 20 0 HEADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000746112174 1079080728 /nfs/dbraw/zinc/08/07/28/1079080728.db2.gz JKLJWJIZMIGQIT-UHFFFAOYSA-N 1 0 421.545 2.146 20 0 HEADRO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC001169013515 1079099293 /nfs/dbraw/zinc/09/92/93/1079099293.db2.gz GZDGJCQMGOSDBJ-QHCPKHFHSA-N 1 0 413.518 2.386 20 0 HEADRO Cc1sc(=O)n(CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1-c1ccc(F)cc1 ZINC000771036692 1079111814 /nfs/dbraw/zinc/11/18/14/1079111814.db2.gz BQXBMQPVFHTAKH-GOSISDBHSA-N 1 0 419.522 2.394 20 0 HEADRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)n1C ZINC001170021114 1079115528 /nfs/dbraw/zinc/11/55/28/1079115528.db2.gz VCJOQJZVSGJRGL-RDJZCZTQSA-N 1 0 408.568 2.334 20 0 HEADRO COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC001169072939 1079124983 /nfs/dbraw/zinc/12/49/83/1079124983.db2.gz PVJSSZRANIPLLC-AWEZNQCLSA-N 1 0 400.431 2.314 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCSCC4)cc3)CC[C@H]21 ZINC000766586092 1079135829 /nfs/dbraw/zinc/13/58/29/1079135829.db2.gz SQYSPHIJZWKVNX-VQIMIIECSA-N 1 0 402.564 2.121 20 0 HEADRO CSc1ccc([C@H](O)[C@H](CO)Nc2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)cc1 ZINC001169087134 1079137161 /nfs/dbraw/zinc/13/71/61/1079137161.db2.gz IBTXNFQYYWKBTB-UFYCRDLUSA-N 1 0 413.543 2.066 20 0 HEADRO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CCN1c1nccn2cnnc12 ZINC000771118491 1079140484 /nfs/dbraw/zinc/14/04/84/1079140484.db2.gz CEYIJYDBVULQLH-XJKSGUPXSA-N 1 0 406.412 2.387 20 0 HEADRO C[C@@H]1CN(C(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000766595819 1079142171 /nfs/dbraw/zinc/14/21/71/1079142171.db2.gz QWTVLKSDPYIHTE-CVEARBPZSA-N 1 0 408.506 2.123 20 0 HEADRO CSc1ccc([C@H](O)[C@H](CO)Nc2cccc3nc([C@H]4C[NH2+]CCO4)cn32)cc1 ZINC001169089235 1079138264 /nfs/dbraw/zinc/13/82/64/1079138264.db2.gz KMKQEVJPKITLLY-UEXGIBASSA-N 1 0 414.531 2.224 20 0 HEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000766602151 1079149627 /nfs/dbraw/zinc/14/96/27/1079149627.db2.gz BYCIYHKFGPRZJI-FCHUYYIVSA-N 1 0 424.545 2.274 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCOC[C@@]3(CN(c4ccc(F)c(F)c4)C(=O)CO3)C1)C2 ZINC001169131205 1079151535 /nfs/dbraw/zinc/15/15/35/1079151535.db2.gz RPGDHWNITLGKBG-PAODICLVSA-N 1 0 421.488 2.024 20 0 HEADRO COC(=O)[C@](C)(N)Cc1cn(-c2cncc(OCC[NH+]3CCCC3)n2)c2ccccc12 ZINC001169110305 1079157816 /nfs/dbraw/zinc/15/78/16/1079157816.db2.gz DHEVHHRIOMMUQV-HSZRJFAPSA-N 1 0 423.517 2.328 20 0 HEADRO Cn1nc(Cl)c(I)c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1=O ZINC001169112746 1079160566 /nfs/dbraw/zinc/16/05/66/1079160566.db2.gz SISZEBQRCOFOTK-PSVAKVPMSA-N 1 0 408.671 2.075 20 0 HEADRO COC(=O)[C@@](C)(N)Cc1cn(-c2ccc(OCC[NH+]3CCCC3)nn2)c2ccccc12 ZINC001169114367 1079161670 /nfs/dbraw/zinc/16/16/70/1079161670.db2.gz YHFPSDRAFSTJDA-QHCPKHFHSA-N 1 0 423.517 2.328 20 0 HEADRO CC1(C)C[C@H](Nc2ccc(F)c(S(=O)(=O)NCc3cn[nH]n3)c2)C[C@](C)(C[NH3+])C1 ZINC001169145724 1079165208 /nfs/dbraw/zinc/16/52/08/1079165208.db2.gz GUMXXDCSJNYVGR-LIRRHRJNSA-N 1 0 424.546 2.378 20 0 HEADRO O[C@H](C[NH+]1CCC(Oc2cccc(Br)c2)CC1)C[C@@]1(O)CCOC1 ZINC001169154805 1079167959 /nfs/dbraw/zinc/16/79/59/1079167959.db2.gz ZANDYDGQCBUGQA-YJBOKZPZSA-N 1 0 400.313 2.195 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1c(F)cccc1F ZINC001169161530 1079170521 /nfs/dbraw/zinc/17/05/21/1079170521.db2.gz PCGNMUSCUZVIBQ-CYBMUJFWSA-N 1 0 405.449 2.061 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1ccccc1Cl ZINC001169162222 1079171066 /nfs/dbraw/zinc/17/10/66/1079171066.db2.gz KMBRMAZKUXTEAX-HNNXBMFYSA-N 1 0 417.941 2.478 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc(F)cc(F)c1F ZINC001169163517 1079171742 /nfs/dbraw/zinc/17/17/42/1079171742.db2.gz QIVVUTFGUPJIHM-GFCCVEGCSA-N 1 0 423.439 2.200 20 0 HEADRO Cc1cc(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1F ZINC001169162692 1079171896 /nfs/dbraw/zinc/17/18/96/1079171896.db2.gz OMWRZVSYPOZPOD-HNNXBMFYSA-N 1 0 401.486 2.230 20 0 HEADRO CCc1ccc(CC[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC001169162506 1079171989 /nfs/dbraw/zinc/17/19/89/1079171989.db2.gz NSJXVMCNYQENES-KRWDZBQOSA-N 1 0 411.550 2.387 20 0 HEADRO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000771158999 1079174802 /nfs/dbraw/zinc/17/48/02/1079174802.db2.gz WFXVENBKHAYMAX-RTBURBONSA-N 1 0 404.555 2.395 20 0 HEADRO COc1cccc([C@H](C)[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169166858 1079175302 /nfs/dbraw/zinc/17/53/02/1079175302.db2.gz DLYIYNPGABRUTH-CVEARBPZSA-N 1 0 413.522 2.352 20 0 HEADRO CN(CC1CC[NH+](C)CC1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771160414 1079175579 /nfs/dbraw/zinc/17/55/79/1079175579.db2.gz VRFSBDPXSNVGTL-HXUWFJFHSA-N 1 0 424.904 2.046 20 0 HEADRO COc1ccc(CNC(=O)Cc2noc([C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000771164482 1079179822 /nfs/dbraw/zinc/17/98/22/1079179822.db2.gz ZNADWZPQRCDDPJ-QHCPKHFHSA-N 1 0 422.485 2.031 20 0 HEADRO Cc1nc(CN2CCO[C@H]3CN([C@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC[C@H]3C2=O)cs1 ZINC001169140536 1079177070 /nfs/dbraw/zinc/17/70/70/1079177070.db2.gz RMCZHHIEDJUVQH-CXQPBAHBSA-N 1 0 404.580 2.126 20 0 HEADRO Cc1cccnc1C1(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169189114 1079177696 /nfs/dbraw/zinc/17/76/96/1079177696.db2.gz CIDWJJCKQLMOQB-QGZVFWFLSA-N 1 0 424.549 2.017 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC(F)(F)C(C)(C)C1 ZINC001169190632 1079178294 /nfs/dbraw/zinc/17/82/94/1079178294.db2.gz IHGNBNVHTNNUPA-CQSZACIVSA-N 1 0 411.497 2.360 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2sccc2C1 ZINC001169193340 1079180363 /nfs/dbraw/zinc/18/03/63/1079180363.db2.gz RSTWEOKCQKYGPG-AWEZNQCLSA-N 1 0 401.536 2.112 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001169194050 1079181694 /nfs/dbraw/zinc/18/16/94/1079181694.db2.gz YDDYBTHLMQKCMA-ZIAGYGMSSA-N 1 0 415.460 2.062 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001169194015 1079181732 /nfs/dbraw/zinc/18/17/32/1079181732.db2.gz VADRDYLYKGHOMR-HUUCEWRRSA-N 1 0 411.497 2.408 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](C)c1cncc(Cl)c1 ZINC001169197693 1079182902 /nfs/dbraw/zinc/18/29/02/1079182902.db2.gz XNZASTWGXKIVLK-ZIAGYGMSSA-N 1 0 418.929 2.392 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001169200693 1079182997 /nfs/dbraw/zinc/18/29/97/1079182997.db2.gz BFTPKRLFWNRWFU-IEBWSBKVSA-N 1 0 424.549 2.095 20 0 HEADRO COc1ccc2c(c1)C[N@H+]([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169203143 1079184247 /nfs/dbraw/zinc/18/42/47/1079184247.db2.gz SZXGUXUFWCSXFS-OAHLLOKOSA-N 1 0 411.506 2.017 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](C)c1cccc(F)c1 ZINC001169170981 1079186172 /nfs/dbraw/zinc/18/61/72/1079186172.db2.gz BYQQLIABEKWHRB-HUUCEWRRSA-N 1 0 401.486 2.482 20 0 HEADRO CC(C)[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccn1 ZINC001169171863 1079186640 /nfs/dbraw/zinc/18/66/40/1079186640.db2.gz HTXFABWHAAZIDY-FUHWJXTLSA-N 1 0 412.538 2.374 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCc2ccccc2C1 ZINC001169172633 1079187331 /nfs/dbraw/zinc/18/73/31/1079187331.db2.gz RPKXWZIJUUTZNR-LPHOPBHVSA-N 1 0 409.534 2.140 20 0 HEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771137509 1079187489 /nfs/dbraw/zinc/18/74/89/1079187489.db2.gz SONMUVYGWSVMAG-RBZFPXEDSA-N 1 0 424.904 2.093 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001169176774 1079189967 /nfs/dbraw/zinc/18/99/67/1079189967.db2.gz PQLDWJSALKEBNL-JCGIZDLHSA-N 1 0 413.497 2.277 20 0 HEADRO CCCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000804309321 1079190042 /nfs/dbraw/zinc/19/00/42/1079190042.db2.gz AKQHNFNGFZAQCL-SJORKVTESA-N 1 0 412.575 2.081 20 0 HEADRO CCCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000804309320 1079189272 /nfs/dbraw/zinc/18/92/72/1079189272.db2.gz AKQHNFNGFZAQCL-IRXDYDNUSA-N 1 0 412.575 2.081 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1c(F)cccc1F ZINC001169180924 1079193251 /nfs/dbraw/zinc/19/32/51/1079193251.db2.gz BTNPUGBRNALFMQ-AWEZNQCLSA-N 1 0 419.476 2.103 20 0 HEADRO Cc1ccc(C2(C[NH2+][C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)nc1 ZINC001169184462 1079194925 /nfs/dbraw/zinc/19/49/25/1079194925.db2.gz QGCVRPYCKRLQTD-QGZVFWFLSA-N 1 0 424.549 2.017 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H](N(C(N)=[NH2+])c2ccccc2)C[C@H]1C(=O)N1CCSC1 ZINC001170023381 1079197263 /nfs/dbraw/zinc/19/72/63/1079197263.db2.gz WCDIHINMHZOWBB-CVEARBPZSA-N 1 0 419.551 2.297 20 0 HEADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC2CC[NH+](CC)CC2)C1 ZINC001169224312 1079201984 /nfs/dbraw/zinc/20/19/84/1079201984.db2.gz IOHWDIGYCHOGCG-BHDDXSALSA-N 1 0 423.598 2.401 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@](O)(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC001169233282 1079205098 /nfs/dbraw/zinc/20/50/98/1079205098.db2.gz MFSRYPQCCXQIIW-ZWKOTPCHSA-N 1 0 402.413 2.149 20 0 HEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771180509 1079211844 /nfs/dbraw/zinc/21/18/44/1079211844.db2.gz UINVKNOZKUCDPP-RBZFPXEDSA-N 1 0 424.904 2.046 20 0 HEADRO CC[NH+]1CCC(N2Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001169250539 1079211826 /nfs/dbraw/zinc/21/18/26/1079211826.db2.gz QAOCCLKHQYXWDX-UHFFFAOYSA-N 1 0 404.559 2.304 20 0 HEADRO CC[NH+]1CCC(N2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CC1 ZINC001169254438 1079213219 /nfs/dbraw/zinc/21/32/19/1079213219.db2.gz WVQAUMKXNLEYCM-YADHBBJMSA-N 1 0 401.551 2.229 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)[C@@H]3CCCN(c4ccccc4)C3=O)CC[NH2+]2)c1 ZINC001169260513 1079214340 /nfs/dbraw/zinc/21/43/40/1079214340.db2.gz KNSFXXHFLZRJGB-KNQAVFIVSA-N 1 0 407.514 2.481 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC001169261113 1079214436 /nfs/dbraw/zinc/21/44/36/1079214436.db2.gz SGKHTXYQZTYCCC-BWPNAZKDSA-N 1 0 415.534 2.436 20 0 HEADRO CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000804314010 1079221784 /nfs/dbraw/zinc/22/17/84/1079221784.db2.gz DXAWMVMGKOAVMY-VQTJNVASSA-N 1 0 414.550 2.027 20 0 HEADRO Cc1cn2ccc(I)c(-n3nnc4ccc(C[NH3+])cc43)c2n1 ZINC001170023608 1079222951 /nfs/dbraw/zinc/22/29/51/1079222951.db2.gz HZALBIRIFWXBLZ-UHFFFAOYSA-N 1 0 404.215 2.440 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2COC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CO1 ZINC001169313346 1079225361 /nfs/dbraw/zinc/22/53/61/1079225361.db2.gz MSWNYZKRGJZVKN-BBWFWOEESA-N 1 0 412.527 2.245 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ncn3c2CN(C(=O)OC(C)(C)C)CCC3)CO1 ZINC001169334506 1079236713 /nfs/dbraw/zinc/23/67/13/1079236713.db2.gz LMPLVWICFHQZIN-QAPCUYQASA-N 1 0 422.526 2.224 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000771287016 1079240970 /nfs/dbraw/zinc/24/09/70/1079240970.db2.gz KJULLPOVCGGLJC-PKOBYXMFSA-N 1 0 404.511 2.362 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3F)CCS(=O)(=O)CC2)CO1 ZINC001169356303 1079241409 /nfs/dbraw/zinc/24/14/09/1079241409.db2.gz IKCSGMMAXSKPDD-WMZOPIPTSA-N 1 0 413.511 2.016 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)CO1 ZINC001169376915 1079246635 /nfs/dbraw/zinc/24/66/35/1079246635.db2.gz ZISNRHRGRHIQJM-IAGOWNOFSA-N 1 0 412.527 2.199 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)CO1 ZINC001169383848 1079254907 /nfs/dbraw/zinc/25/49/07/1079254907.db2.gz CBEMNUASRRUONU-ITTUMRLJSA-N 1 0 404.507 2.332 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)CO1 ZINC001169384852 1079257058 /nfs/dbraw/zinc/25/70/58/1079257058.db2.gz HCDTVDRHMNWXBU-PMACEKPBSA-N 1 0 415.534 2.458 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)CO1 ZINC001169392699 1079263454 /nfs/dbraw/zinc/26/34/54/1079263454.db2.gz BACYUPCYESTUNG-NXWXRZEISA-N 1 0 422.547 2.022 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)CO1 ZINC001169392726 1079263485 /nfs/dbraw/zinc/26/34/85/1079263485.db2.gz QHFJZXAKGPCMSH-DXIQSLLYSA-N 1 0 401.507 2.007 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)CO1 ZINC001169398185 1079270884 /nfs/dbraw/zinc/27/08/84/1079270884.db2.gz PPVCHOHCKCLBCI-JZXOWHBKSA-N 1 0 408.470 2.334 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CO1 ZINC001169398007 1079270994 /nfs/dbraw/zinc/27/09/94/1079270994.db2.gz PKCBFPQROFMYMD-FAKFISEUSA-N 1 0 416.518 2.151 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CCN(Cc4cccc(OC)c4)C3=O)C2)CO1 ZINC001169400161 1079274089 /nfs/dbraw/zinc/27/40/89/1079274089.db2.gz XWPCGHHCARDFSE-QMHWCDLVSA-N 1 0 416.518 2.230 20 0 HEADRO 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NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000771466418 1079363128 /nfs/dbraw/zinc/36/31/28/1079363128.db2.gz DJDSXRCRTFIMJI-MRXNPFEDSA-N 1 0 418.563 2.290 20 0 HEADRO CCOC(=O)N1CCC[C@H](N(c2ncccn2)[C@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001169684557 1079367041 /nfs/dbraw/zinc/36/70/41/1079367041.db2.gz FLLKSLQKNSTNHV-ZWKOTPCHSA-N 1 0 403.527 2.205 20 0 HEADRO CCOC(=O)N1CCC[C@H]([N@H+]2C[C@@H](NC(=O)C3CCC3)[C@H]3OCCC[C@H]3C2)CC1 ZINC001169688097 1079369734 /nfs/dbraw/zinc/36/97/34/1079369734.db2.gz VLNMDAQOICRFKE-HAGHYFMRSA-N 1 0 407.555 2.393 20 0 HEADRO CCOC(=O)N1CCC[C@H](N(c2nccn2C)[C@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001169688611 1079370226 /nfs/dbraw/zinc/37/02/26/1079370226.db2.gz YSGMVNHKQSVCCO-ZWKOTPCHSA-N 1 0 405.543 2.149 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCCO4)C[C@H]3C2)CC1 ZINC001169692888 1079373409 /nfs/dbraw/zinc/37/34/09/1079373409.db2.gz JXADJFZOSJXPDO-VNTMZGSJSA-N 1 0 423.554 2.278 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)N2CCCC2)CCO3)CC1 ZINC001169694320 1079374338 /nfs/dbraw/zinc/37/43/38/1079374338.db2.gz OXPDKGYALTUHQM-WOIUINJBSA-N 1 0 422.570 2.426 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([NH+]2CCN(c3ncc(Br)cn3)CC2)CC1 ZINC001169706251 1079380944 /nfs/dbraw/zinc/38/09/44/1079380944.db2.gz KNPTYSXHULZDJC-OAHLLOKOSA-N 1 0 412.332 2.372 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[N@@H+]3CCC[C@@H](S(C)(=O)=O)CC3)C2)C1 ZINC001169695657 1079376267 /nfs/dbraw/zinc/37/62/67/1079376267.db2.gz AQFYVVUTKPGTKA-MBOZVWFJSA-N 1 0 416.584 2.302 20 0 HEADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000771570700 1079389268 /nfs/dbraw/zinc/38/92/68/1079389268.db2.gz GHOYBZUNBYAAPC-UHFFFAOYSA-N 1 0 406.531 2.016 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2CCc3ncnc(N4CCOCC4)c3CC2)C1 ZINC001169761248 1079399024 /nfs/dbraw/zinc/39/90/24/1079399024.db2.gz BARIXUUBJAFIKI-HXUWFJFHSA-N 1 0 421.545 2.019 20 0 HEADRO 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CC(C)=CC(=O)NCc1ccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1 ZINC000771664891 1079434317 /nfs/dbraw/zinc/43/43/17/1079434317.db2.gz YWABSZVZRCVHMH-UHFFFAOYSA-N 1 0 400.567 2.415 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]([NH2+]C3CCC(S(C)(=O)=O)CC3)CO2)C1 ZINC001169859106 1079435785 /nfs/dbraw/zinc/43/57/85/1079435785.db2.gz UXOOQLXKTUJGQI-FCULAJGNSA-N 1 0 416.584 2.490 20 0 HEADRO COCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC001169839990 1079439662 /nfs/dbraw/zinc/43/96/62/1079439662.db2.gz DEPYEBPOAFBMBR-HXUWFJFHSA-N 1 0 417.531 2.214 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C3=NN(c4ccccc4)C(=O)[C@H](C)N3)c2)CC1 ZINC000771637653 1079445766 /nfs/dbraw/zinc/44/57/66/1079445766.db2.gz QULCSNMZDFWGEE-KRWDZBQOSA-N 1 0 420.517 2.105 20 0 HEADRO COc1ccc(CN2C[C@@H]([NH2+]C3CCC(S(C)(=O)=O)CC3)C3(CC3)C2=O)cc1 ZINC001169865742 1079462825 /nfs/dbraw/zinc/46/28/25/1079462825.db2.gz LSDMGGOWEQRTIZ-NKELODKYSA-N 1 0 406.548 2.132 20 0 HEADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000766860025 1079464244 /nfs/dbraw/zinc/46/42/44/1079464244.db2.gz FYDYKPTZBRKJKN-OXQOHEQNSA-N 1 0 415.513 2.284 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CCC(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC001169872703 1079465013 /nfs/dbraw/zinc/46/50/13/1079465013.db2.gz FQEHZYAIEDMCLP-NRXISQOPSA-N 1 0 420.572 2.167 20 0 HEADRO CCOc1cc(C[NH+]2CCC(C3OCCO3)CC2)nc2nc(C(F)(F)F)nn21 ZINC000766872534 1079468316 /nfs/dbraw/zinc/46/83/16/1079468316.db2.gz MMFHSAZTIHCNCZ-UHFFFAOYSA-N 1 0 401.389 2.127 20 0 HEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000804342760 1079469099 /nfs/dbraw/zinc/46/90/99/1079469099.db2.gz OUICMKDGEZEMBO-UHFFFAOYSA-N 1 0 404.518 2.157 20 0 HEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001169911183 1079474627 /nfs/dbraw/zinc/47/46/27/1079474627.db2.gz GPUXVLJGLANPFN-LBPRGKRZSA-N 1 0 400.262 2.357 20 0 HEADRO COc1ccc2c(c1)NC(=O)C[C@@H]2CNc1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001169918051 1079477469 /nfs/dbraw/zinc/47/74/69/1079477469.db2.gz OBDSYOCLMVPNMC-FOIQADDNSA-N 1 0 406.486 2.384 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755525 1079485070 /nfs/dbraw/zinc/48/50/70/1079485070.db2.gz FOUARNOBRXPWEV-IEBWSBKVSA-N 1 0 404.555 2.252 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)C(C)C)cc2Cl)CC1 ZINC000737308193 1075905473 /nfs/dbraw/zinc/90/54/73/1075905473.db2.gz YAMMNUCAKDLGQY-NRFANRHFSA-N 1 0 424.973 2.334 20 0 HEADRO Fc1cnc(N2CCOC[C@@]3(CCC[N@@H+]([C@@H]4CCCC5(C4)OCCO5)C3)C2)nc1 ZINC001169946765 1079488844 /nfs/dbraw/zinc/48/88/44/1079488844.db2.gz CZXREGGADGOXNW-UYAOXDASSA-N 1 0 406.502 2.220 20 0 HEADRO Cc1cccc(CN2CC3(CC[NH+]([C@H]4CCCC5(C4)OCCO5)CC3)OCC2=O)n1 ZINC001169946722 1079489005 /nfs/dbraw/zinc/48/90/05/1079489005.db2.gz CQGIIIRWSIAXOV-FQEVSTJZSA-N 1 0 415.534 2.269 20 0 HEADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000737693725 1075920241 /nfs/dbraw/zinc/92/02/41/1075920241.db2.gz ZMYQGSNYPGNAJR-CVDCTZTESA-N 1 0 412.534 2.239 20 0 HEADRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@H]3CCCC4(C3)OCCO4)C[C@H]12 ZINC001169947963 1079489653 /nfs/dbraw/zinc/48/96/53/1079489653.db2.gz HNBCXTNKPPBGCO-ACRUOGEOSA-N 1 0 420.575 2.350 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000737729359 1075926854 /nfs/dbraw/zinc/92/68/54/1075926854.db2.gz UPSDSNYNLBEQKT-UHFFFAOYSA-N 1 0 410.518 2.179 20 0 HEADRO COc1cc2ncnc(N3CC[NH+]([C@@H]4CCCC5(C4)OCCO5)CC3)c2cc1OC ZINC001169949532 1079490134 /nfs/dbraw/zinc/49/01/34/1079490134.db2.gz OFBIDZYTQCATLQ-MRXNPFEDSA-N 1 0 414.506 2.455 20 0 HEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737849566 1075931413 /nfs/dbraw/zinc/93/14/13/1075931413.db2.gz YOIPITWGBNTUKA-SFTDATJTSA-N 1 0 410.518 2.016 20 0 HEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000737847213 1075931554 /nfs/dbraw/zinc/93/15/54/1075931554.db2.gz OEYAUQZSJPALDH-UHFFFAOYSA-N 1 0 412.575 2.129 20 0 HEADRO C[C@H]1N(Cc2cccnc2)C(=O)COC12CC[NH+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169950475 1079490897 /nfs/dbraw/zinc/49/08/97/1079490897.db2.gz TXEAAIBRXBXBPP-QUCCMNQESA-N 1 0 415.534 2.349 20 0 HEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737841672 1075935669 /nfs/dbraw/zinc/93/56/69/1075935669.db2.gz QCJLHDMJAHEOOU-KNQAVFIVSA-N 1 0 424.545 2.406 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@]34CCC(=O)N3CCS4)cc2)CC1 ZINC000737952528 1075947105 /nfs/dbraw/zinc/94/71/05/1075947105.db2.gz NRWPEROWHPCZML-NRFANRHFSA-N 1 0 402.564 2.469 20 0 HEADRO COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169957219 1079493539 /nfs/dbraw/zinc/49/35/39/1079493539.db2.gz CWZFGNBGINUZDW-IRXDYDNUSA-N 1 0 412.527 2.450 20 0 HEADRO CC[N@H+](C[C@H]1CCOC1)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000738080647 1075959062 /nfs/dbraw/zinc/95/90/62/1075959062.db2.gz HZXJMUYABFYZGJ-GFCCVEGCSA-N 1 0 410.268 2.060 20 0 HEADRO COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCC[C@H]3C[NH+]3CCCCC3)C2=O)cc1 ZINC000738097298 1075960321 /nfs/dbraw/zinc/96/03/21/1075960321.db2.gz CAFLDXRWADXZIR-WMZHIEFXSA-N 1 0 414.550 2.456 20 0 HEADRO C[NH+](C)[C@@H]1CCCN(Cn2nc(N3CCOCC3)n(-c3cccc(F)c3)c2=S)C1 ZINC000738142256 1075962805 /nfs/dbraw/zinc/96/28/05/1075962805.db2.gz BIIOIGNNMFOEAM-GOSISDBHSA-N 1 0 420.558 2.362 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cn2nc(N3CCOCC3)n(C)c2=S)C1 ZINC000738104902 1075963272 /nfs/dbraw/zinc/96/32/72/1075963272.db2.gz ARIHHVOSDWXXDN-MSOLQXFVSA-N 1 0 408.616 2.332 20 0 HEADRO CNC(=O)c1nn(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(=O)c2ccccc21 ZINC000738107168 1075964302 /nfs/dbraw/zinc/96/43/02/1075964302.db2.gz JXXFAYPXEWGHMF-MSOLQXFVSA-N 1 0 411.550 2.300 20 0 HEADRO Cc1ccc(/C=C\c2nc(=S)n(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)[nH]2)o1 ZINC000738161221 1075970703 /nfs/dbraw/zinc/97/07/03/1075970703.db2.gz OYNRHNQOYMZAKU-SREVYHEPSA-N 1 0 416.551 2.210 20 0 HEADRO Cc1ccc(-n2nnn(CN3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)c2=S)cc1C ZINC000738215150 1075974949 /nfs/dbraw/zinc/97/49/49/1075974949.db2.gz UEDMFTBOBVYPLW-LJQANCHMSA-N 1 0 401.584 2.084 20 0 HEADRO C[NH+](C)C[C@H]1CCN(CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738224086 1075976031 /nfs/dbraw/zinc/97/60/31/1075976031.db2.gz LAFRIQVCEJXZIY-FZKQIMNGSA-N 1 0 409.328 2.057 20 0 HEADRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000738285722 1075979366 /nfs/dbraw/zinc/97/93/66/1075979366.db2.gz NOHNFHCSQBATOL-INIZCTEOSA-N 1 0 412.581 2.444 20 0 HEADRO CCCCc1nnc(NC(=O)C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)s1 ZINC000766890071 1079497057 /nfs/dbraw/zinc/49/70/57/1079497057.db2.gz UABNBCFQCUNEQE-OAQYLSRUSA-N 1 0 417.579 2.436 20 0 HEADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000738306667 1075986840 /nfs/dbraw/zinc/98/68/40/1075986840.db2.gz XAJJQNPNLFGSOZ-FPOVZHCZSA-N 1 0 418.545 2.478 20 0 HEADRO COC(=O)/C=C/c1ccc(OCC[NH+]2CCC3(CC(C(=O)OC)=NO3)CC2)cc1 ZINC000771779077 1079500280 /nfs/dbraw/zinc/50/02/80/1079500280.db2.gz BALVQUGYRBSEAN-VMPITWQZSA-N 1 0 402.447 2.036 20 0 HEADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000738367832 1075991389 /nfs/dbraw/zinc/99/13/89/1075991389.db2.gz YVSVODRZSCEUOK-UHFFFAOYSA-N 1 0 401.532 2.461 20 0 HEADRO CN(C(=O)NC[C@@H]1COC2(CCCCCC2)O1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771776828 1079498608 /nfs/dbraw/zinc/49/86/08/1079498608.db2.gz GQVWCTDSOAFYGY-WOJBJXKFSA-N 1 0 408.587 2.262 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](C[C@H](O)COc1cccc(C(F)(F)F)c1)CC2 ZINC000771778535 1079498709 /nfs/dbraw/zinc/49/87/09/1079498709.db2.gz HFPWYOGSBAPILF-AWEZNQCLSA-N 1 0 416.396 2.229 20 0 HEADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1 ZINC000738554943 1076002681 /nfs/dbraw/zinc/00/26/81/1076002681.db2.gz PWCRFIZWOJFVLT-KRWDZBQOSA-N 1 0 403.552 2.431 20 0 HEADRO C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771779531 1079499668 /nfs/dbraw/zinc/49/96/68/1079499668.db2.gz UWAIIFBGHNVEME-AEFFLSMTSA-N 1 0 411.591 2.100 20 0 HEADRO O=C(COC(=O)CCSc1ccc2c(c1)OCCO2)NC1CC[NH+](C2CC2)CC1 ZINC000738736577 1076014117 /nfs/dbraw/zinc/01/41/17/1076014117.db2.gz RSVBTJNNCOHNPG-UHFFFAOYSA-N 1 0 420.531 2.226 20 0 HEADRO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)COc1ccccc1F ZINC000738880486 1076021216 /nfs/dbraw/zinc/02/12/16/1076021216.db2.gz AWIDVCVXDXCJGM-QGZVFWFLSA-N 1 0 411.518 2.050 20 0 HEADRO Cn1ccnc1[C@](O)(CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C(F)(F)F ZINC000738967396 1076027841 /nfs/dbraw/zinc/02/78/41/1076027841.db2.gz BMDXDKGJHAIQPV-CRAIPNDOSA-N 1 0 417.476 2.220 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NCc1cccc(COC(C)C)c1)CC2 ZINC000771780941 1079502961 /nfs/dbraw/zinc/50/29/61/1079502961.db2.gz RLCIRCISZLLXDI-UHFFFAOYSA-N 1 0 417.506 2.012 20 0 HEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000739034176 1076032217 /nfs/dbraw/zinc/03/22/17/1076032217.db2.gz FQQCMWWXMIERIM-ZBFHGGJFSA-N 1 0 409.836 2.110 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000739067749 1076035178 /nfs/dbraw/zinc/03/51/78/1076035178.db2.gz MEECHDBXCDGGRW-MAUKXSAKSA-N 1 0 416.547 2.331 20 0 HEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)C1 ZINC000739066387 1076035260 /nfs/dbraw/zinc/03/52/60/1076035260.db2.gz HYZHQBFJJFIJSW-RTBURBONSA-N 1 0 416.566 2.479 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000739068731 1076036245 /nfs/dbraw/zinc/03/62/45/1076036245.db2.gz OUAQIQUQMBAUDT-KRWDZBQOSA-N 1 0 402.539 2.231 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N3CCOC(C)(C)C3)cc2)CC1 ZINC000739071805 1076037566 /nfs/dbraw/zinc/03/75/66/1076037566.db2.gz RJXGIJQBRRVUKA-UHFFFAOYSA-N 1 0 402.539 2.041 20 0 HEADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)[NH+]1CCCC1 ZINC000739070467 1076037589 /nfs/dbraw/zinc/03/75/89/1076037589.db2.gz LXTVVVCCXTUIAT-XLIONFOSSA-N 1 0 402.539 2.087 20 0 HEADRO COC1CCN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000739071200 1076037737 /nfs/dbraw/zinc/03/77/37/1076037737.db2.gz PHPJTFXBZFYUAO-UHFFFAOYSA-N 1 0 402.539 2.041 20 0 HEADRO CO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000739079716 1076038879 /nfs/dbraw/zinc/03/88/79/1076038879.db2.gz ILRWKUWVQJDQEB-HXUWFJFHSA-N 1 0 402.539 2.041 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000739080751 1076039132 /nfs/dbraw/zinc/03/91/32/1076039132.db2.gz MAPDVXSVSPZERE-KRWDZBQOSA-N 1 0 402.539 2.041 20 0 HEADRO Cc1ncsc1CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739080628 1076039196 /nfs/dbraw/zinc/03/91/96/1076039196.db2.gz MWKGHXPMZNKVJR-UHFFFAOYSA-N 1 0 415.563 2.484 20 0 HEADRO Cc1nn(C)c(C)c1NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739083040 1076040158 /nfs/dbraw/zinc/04/01/58/1076040158.db2.gz WTWQNTWMJJOIAV-UHFFFAOYSA-N 1 0 412.538 2.392 20 0 HEADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C[C@H](C)O1 ZINC000739089597 1076043005 /nfs/dbraw/zinc/04/30/05/1076043005.db2.gz RMLBCTQTJXRSPC-UWJYYQICSA-N 1 0 416.566 2.429 20 0 HEADRO CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739089874 1076043116 /nfs/dbraw/zinc/04/31/16/1076043116.db2.gz QSNXXXKKGREAQD-SBUREZEXSA-N 1 0 418.582 2.316 20 0 HEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000739090017 1076043575 /nfs/dbraw/zinc/04/35/75/1076043575.db2.gz RTPGNKISTFQAEL-STQMWFEESA-N 1 0 417.453 2.101 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)[N@H+](C)Cc1ccccc1 ZINC000739091273 1076044028 /nfs/dbraw/zinc/04/40/28/1076044028.db2.gz YBGCLEJQHOWDPN-RTBURBONSA-N 1 0 424.545 2.487 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)CCO1 ZINC000739117852 1076045357 /nfs/dbraw/zinc/04/53/57/1076045357.db2.gz FQTSOZCLZZLVFY-UYAOXDASSA-N 1 0 414.550 2.327 20 0 HEADRO C[C@@H]1CSCCN1C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739118768 1076046026 /nfs/dbraw/zinc/04/60/26/1076046026.db2.gz ATFGJHNRHUZAAD-MRXNPFEDSA-N 1 0 404.580 2.367 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](CC)COC)cc2Cl)CC1 ZINC000739123596 1076047758 /nfs/dbraw/zinc/04/77/58/1076047758.db2.gz RZXAOMLJEKJQHW-OAHLLOKOSA-N 1 0 410.946 2.352 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739706323 1076073879 /nfs/dbraw/zinc/07/38/79/1076073879.db2.gz IJKJHBRADCCUGO-ZWKOTPCHSA-N 1 0 417.554 2.143 20 0 HEADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000739788251 1076075286 /nfs/dbraw/zinc/07/52/86/1076075286.db2.gz NLAPUBJPMKQMCP-AWEZNQCLSA-N 1 0 415.943 2.080 20 0 HEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739723171 1076078888 /nfs/dbraw/zinc/07/88/88/1076078888.db2.gz GPVIDSAMAUCHBQ-QRVBRYPASA-N 1 0 408.587 2.308 20 0 HEADRO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739875137 1076084706 /nfs/dbraw/zinc/08/47/06/1076084706.db2.gz 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QTAVHPULJTUSFH-HXUWFJFHSA-N 1 0 403.523 2.392 20 0 HEADRO Cc1ccc([C@@H](O)CNC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000741272496 1076439658 /nfs/dbraw/zinc/43/96/58/1076439658.db2.gz ZVSWZLSCEWCLPI-FQEVSTJZSA-N 1 0 400.523 2.129 20 0 HEADRO CN1CCC([NH+]2CCC(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CC3)CC2)CC1 ZINC000741277080 1076441459 /nfs/dbraw/zinc/44/14/59/1076441459.db2.gz SCFAKVIGWUUBLC-IBGZPJMESA-N 1 0 423.602 2.148 20 0 HEADRO CN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)C[C@@H]1CCC[N@H+](C)C1 ZINC000741252736 1076444239 /nfs/dbraw/zinc/44/42/39/1076444239.db2.gz SYFZTFLRMJTKNT-GOSISDBHSA-N 1 0 412.534 2.446 20 0 HEADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3ccc4c(c3)CCC(C)(C)O4)CC2)cn1 ZINC000741257844 1076446169 /nfs/dbraw/zinc/44/61/69/1076446169.db2.gz ZVSXYPMEZMMGKT-UHFFFAOYSA-N 1 0 418.563 2.467 20 0 HEADRO CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741326162 1076476833 /nfs/dbraw/zinc/47/68/33/1076476833.db2.gz LATGLIVRXYWKPK-RDJZCZTQSA-N 1 0 407.486 2.451 20 0 HEADRO 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CC(=O)N[C@H](CC(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000744513632 1077430234 /nfs/dbraw/zinc/43/02/34/1077430234.db2.gz VCDCARZNEWGHJW-LJQANCHMSA-N 1 0 423.941 2.440 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CSc2ncnc3sccc32)CC1 ZINC000744611802 1077502233 /nfs/dbraw/zinc/50/22/33/1077502233.db2.gz UNNDGAPULFRNLT-UHFFFAOYSA-N 1 0 408.549 2.316 20 0 HEADRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000744612562 1077502772 /nfs/dbraw/zinc/50/27/72/1077502772.db2.gz JSCMTPVBEBWVBY-GOSISDBHSA-N 1 0 409.552 2.035 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)C[C@](C)(O)C(F)(F)F)cc2)CC1 ZINC000744653215 1077539445 /nfs/dbraw/zinc/53/94/45/1077539445.db2.gz SORWBRDFKYIQCC-SFHVURJKSA-N 1 0 417.428 2.014 20 0 HEADRO Cc1[nH]nc2ncc(C(=O)OCC(=O)N3CCC[N@H+](Cc4ccc(C)cc4)CC3)cc12 ZINC000744783430 1077582485 /nfs/dbraw/zinc/58/24/85/1077582485.db2.gz WMLJKYXVSMUIIV-UHFFFAOYSA-N 1 0 421.501 2.466 20 0 HEADRO Cc1[nH]nc2ncc(C(=O)O[C@@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000744783870 1077583054 /nfs/dbraw/zinc/58/30/54/1077583054.db2.gz KJATZSVCCURKDE-YJBOKZPZSA-N 1 0 407.474 2.202 20 0 HEADRO C[C@H](OC(=O)c1c[nH]nc1-c1ccncc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744814177 1077586043 /nfs/dbraw/zinc/58/60/43/1077586043.db2.gz QEGWIXVNCPDIET-QFBILLFUSA-N 1 0 419.485 2.408 20 0 HEADRO C[C@@H](OC(=O)c1c[nH]nc1-c1ccncc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744814178 1077586176 /nfs/dbraw/zinc/58/61/76/1077586176.db2.gz QEGWIXVNCPDIET-VQIMIIECSA-N 1 0 419.485 2.408 20 0 HEADRO CC(=O)NC1(C(=O)O[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000744819597 1077589253 /nfs/dbraw/zinc/58/92/53/1077589253.db2.gz AFTSTUVNGZCNEC-YLJYHZDGSA-N 1 0 415.534 2.148 20 0 HEADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cnn(-c2ccc(F)cc2)n1 ZINC000737556053 1077598819 /nfs/dbraw/zinc/59/88/19/1077598819.db2.gz YRTKAMONLUWZQK-UHFFFAOYSA-N 1 0 422.464 2.484 20 0 HEADRO CCCC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744896921 1077640508 /nfs/dbraw/zinc/64/05/08/1077640508.db2.gz IRGBVZISSZVHBR-DFQSSKMNSA-N 1 0 415.534 2.100 20 0 HEADRO Cc1nccn1-c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cn1 ZINC000744908575 1077661221 /nfs/dbraw/zinc/66/12/21/1077661221.db2.gz WRFZBLUQNJNCJE-UHFFFAOYSA-N 1 0 424.480 2.244 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)C2(NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000744967041 1077682562 /nfs/dbraw/zinc/68/25/62/1077682562.db2.gz JOUFKVAUTUDGRY-UHFFFAOYSA-N 1 0 411.543 2.356 20 0 HEADRO COC(=O)N[C@H](C(=O)O[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000745024394 1077708676 /nfs/dbraw/zinc/70/86/76/1077708676.db2.gz RVQSKGPWYDQKEG-APWZRJJASA-N 1 0 419.522 2.080 20 0 HEADRO CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000745024885 1077708757 /nfs/dbraw/zinc/70/87/57/1077708757.db2.gz ZWNDEDSZEACEFM-ACJLOTCBSA-N 1 0 415.412 2.218 20 0 HEADRO O=C(COC(=O)c1cc(O)ccc1O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000745076330 1077733449 /nfs/dbraw/zinc/73/34/49/1077733449.db2.gz JTPQTKAAESWJBK-UHFFFAOYSA-N 1 0 402.472 2.442 20 0 HEADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000745153017 1077760680 /nfs/dbraw/zinc/76/06/80/1077760680.db2.gz IACFRAXPLJTDNJ-UHFFFAOYSA-N 1 0 409.552 2.449 20 0 HEADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000745261918 1077794423 /nfs/dbraw/zinc/79/44/23/1077794423.db2.gz VMZZBECRIKKQRU-UHFFFAOYSA-N 1 0 410.518 2.497 20 0 HEADRO O=C(CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccc(F)c(F)c1 ZINC000745284360 1077803334 /nfs/dbraw/zinc/80/33/34/1077803334.db2.gz SHWMFBCBEJRLLQ-UHFFFAOYSA-N 1 0 410.465 2.190 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000745315472 1077806651 /nfs/dbraw/zinc/80/66/51/1077806651.db2.gz HOZORTZYUBKYPR-ROUUACIJSA-N 1 0 412.575 2.384 20 0 HEADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000766331739 1077815306 /nfs/dbraw/zinc/81/53/06/1077815306.db2.gz QQPHDUKWMYVKCN-ROUUACIJSA-N 1 0 417.554 2.156 20 0 HEADRO Cc1ncc(Cl)c(C(=O)O[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000745377780 1077817689 /nfs/dbraw/zinc/81/76/89/1077817689.db2.gz XCDLNGPDLUSREX-BBRMVZONSA-N 1 0 402.882 2.374 20 0 HEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000745429480 1077824047 /nfs/dbraw/zinc/82/40/47/1077824047.db2.gz URBATDVOBXBXCX-HXUWFJFHSA-N 1 0 402.539 2.175 20 0 HEADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000766913313 1079503960 /nfs/dbraw/zinc/50/39/60/1079503960.db2.gz JNPYLRACLSCHQE-IIBYNOLFSA-N 1 0 406.546 2.496 20 0 HEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cnn(-c2ccccc2)n1 ZINC000804343736 1079506456 /nfs/dbraw/zinc/50/64/56/1079506456.db2.gz DELKVIZOIIOBKT-UHFFFAOYSA-N 1 0 404.518 2.157 20 0 HEADRO C[NH+](C)[C@@H](CNC(=O)CN1CCN(Cc2ccc(Cl)nc2)CC1)c1ccccc1 ZINC000771760867 1079514628 /nfs/dbraw/zinc/51/46/28/1079514628.db2.gz KJFACLDNKNFVON-FQEVSTJZSA-N 1 0 415.969 2.272 20 0 HEADRO CN(C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771763053 1079516794 /nfs/dbraw/zinc/51/67/94/1079516794.db2.gz AXNLNBCRWFLFHI-HKUYNNGSSA-N 1 0 423.602 2.196 20 0 HEADRO CN(C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771763807 1079518911 /nfs/dbraw/zinc/51/89/11/1079518911.db2.gz FFGXYJNBPZKUQB-OALUTQOASA-N 1 0 423.602 2.196 20 0 HEADRO CN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771765673 1079520912 /nfs/dbraw/zinc/52/09/12/1079520912.db2.gz DHRIANJRGVBURY-MOPGFXCFSA-N 1 0 423.602 2.100 20 0 HEADRO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1F ZINC000766960949 1079525751 /nfs/dbraw/zinc/52/57/51/1079525751.db2.gz NDBWFPHULVPICC-HKUYNNGSSA-N 1 0 404.486 2.114 20 0 HEADRO CCN(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771773041 1079526416 /nfs/dbraw/zinc/52/64/16/1079526416.db2.gz VNAHBVUKCRNKPV-MOPGFXCFSA-N 1 0 422.595 2.434 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(S[C@@H]4CCOC4=O)cc3)CC2)c1 ZINC000771833637 1079528074 /nfs/dbraw/zinc/52/80/74/1079528074.db2.gz SINJLQOJEYFHPQ-GOSISDBHSA-N 1 0 413.499 2.460 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)C1CC1 ZINC000766937998 1079528286 /nfs/dbraw/zinc/52/82/86/1079528286.db2.gz FFOYOJXPNPKNAL-VGOFRKELSA-N 1 0 403.523 2.389 20 0 HEADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000766940948 1079529548 /nfs/dbraw/zinc/52/95/48/1079529548.db2.gz QNZDYXJGDKCPEC-PXNSSMCTSA-N 1 0 412.552 2.407 20 0 HEADRO CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1 ZINC000766943734 1079530593 /nfs/dbraw/zinc/53/05/93/1079530593.db2.gz CHBBPPGSIBDIPJ-FPOVZHCZSA-N 1 0 400.523 2.365 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)CCC[C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000771838026 1079531362 /nfs/dbraw/zinc/53/13/62/1079531362.db2.gz FOZKHOUFVFRNFQ-JOCHJYFZSA-N 1 0 415.538 2.172 20 0 HEADRO CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766944855 1079533833 /nfs/dbraw/zinc/53/38/33/1079533833.db2.gz GLYMJCVUPCGGDB-FPOVZHCZSA-N 1 0 400.523 2.236 20 0 HEADRO COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000766944985 1079534134 /nfs/dbraw/zinc/53/41/34/1079534134.db2.gz HOTYIGVLDGZYAR-SNRMKQJTSA-N 1 0 416.522 2.030 20 0 HEADRO Cc1ccc(NC(=O)C[NH2+][C@H](CCO)C2CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000771805106 1079538501 /nfs/dbraw/zinc/53/85/01/1079538501.db2.gz TWWSLUDXJDIVQA-LJQANCHMSA-N 1 0 423.579 2.249 20 0 HEADRO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000766962934 1079558729 /nfs/dbraw/zinc/55/87/29/1079558729.db2.gz WTRNBENEOFFJNF-CTNGQTDRSA-N 1 0 400.523 2.412 20 0 HEADRO CCC[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NC(C)C)CC[N@@H+]1CCOC ZINC000766973686 1079568695 /nfs/dbraw/zinc/56/86/95/1079568695.db2.gz MHLXWHWYBKOPDL-SFHVURJKSA-N 1 0 404.555 2.196 20 0 HEADRO Cn1ccnc1[C@@H](O)C1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000771945974 1079596592 /nfs/dbraw/zinc/59/65/92/1079596592.db2.gz FVJPYIYSJNYJKE-HKUYNNGSSA-N 1 0 401.511 2.305 20 0 HEADRO C[C@H]1CCC[C@](CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)([NH+](C)C)C1 ZINC000772016760 1079652383 /nfs/dbraw/zinc/65/23/83/1079652383.db2.gz CUAOLMWDSLPPJK-AOMKIAJQSA-N 1 0 417.554 2.244 20 0 HEADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000767091137 1079672744 /nfs/dbraw/zinc/67/27/44/1079672744.db2.gz ZFRMLFREJQVYBJ-UHFFFAOYSA-N 1 0 404.511 2.170 20 0 HEADRO CCCCC[C@@H](C)NC(=O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000767144220 1079679002 /nfs/dbraw/zinc/67/90/02/1079679002.db2.gz OOXICKRKEIHUDP-VGSWGCGISA-N 1 0 400.523 2.268 20 0 HEADRO O=C(CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)NC1CCCCCCC1 ZINC000767141035 1079679994 /nfs/dbraw/zinc/67/99/94/1079679994.db2.gz LWHOQMBCXLPINT-HSZRJFAPSA-N 1 0 412.534 2.412 20 0 HEADRO C[NH+](C)[C@]1(CNC(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)CCSC1 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Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3ccc4c(c3)NC(=O)C4)CC2)cc1 ZINC000785776812 1080241204 /nfs/dbraw/zinc/24/12/04/1080241204.db2.gz PEBWJFWFVXBXDA-UHFFFAOYSA-N 1 0 421.497 2.381 20 0 HEADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000767983578 1080247514 /nfs/dbraw/zinc/24/75/14/1080247514.db2.gz LSYYBUAOPRXVJI-UHFFFAOYSA-N 1 0 401.692 2.179 20 0 HEADRO Cc1ccc(N(C)[C@H]2CCC[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)cc1 ZINC000785795125 1080247988 /nfs/dbraw/zinc/24/79/88/1080247988.db2.gz NJUGHRPHDHVUDH-NRFANRHFSA-N 1 0 408.550 2.034 20 0 HEADRO CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000767984769 1080247983 /nfs/dbraw/zinc/24/79/83/1080247983.db2.gz YBJXFXVMZSBVID-GOSISDBHSA-N 1 0 406.502 2.093 20 0 HEADRO CC(C)(C)OC(=O)N(CCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000767964014 1080254950 /nfs/dbraw/zinc/25/49/50/1080254950.db2.gz YGVCVTIQOJLCBJ-RBUKOAKNSA-N 1 0 424.586 2.453 20 0 HEADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@]1(O)CCc2ccccc2C1 ZINC000785841738 1080267411 /nfs/dbraw/zinc/26/74/11/1080267411.db2.gz OFGKCMSVBZAHHA-RUZDIDTESA-N 1 0 407.558 2.231 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)C1 ZINC000746567765 1080292675 /nfs/dbraw/zinc/29/26/75/1080292675.db2.gz GLDHPNRUMHEUOU-GOSISDBHSA-N 1 0 419.547 2.455 20 0 HEADRO CC(C)O[C@H]1CC[N@@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170052421 1080295501 /nfs/dbraw/zinc/29/55/01/1080295501.db2.gz SJRLLZZRXXMSIA-IKGGRYGDSA-N 1 0 413.584 2.397 20 0 HEADRO Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000768067734 1080303146 /nfs/dbraw/zinc/30/31/46/1080303146.db2.gz HCFKJYWJJUUTGL-QFIPXVFZSA-N 1 0 424.545 2.314 20 0 HEADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)C1 ZINC000768049095 1080313175 /nfs/dbraw/zinc/31/31/75/1080313175.db2.gz MXKXOYAWBFCXNV-GASCZTMLSA-N 1 0 420.529 2.339 20 0 HEADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1)[NH+](C)C ZINC000786025491 1080340011 /nfs/dbraw/zinc/34/00/11/1080340011.db2.gz OMDLZIQXDPJPPJ-UWJYYQICSA-N 1 0 420.517 2.381 20 0 HEADRO CC(C)[C@@H](CNC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)[NH+]1CCN(C)CC1 ZINC000768126457 1080360454 /nfs/dbraw/zinc/36/04/54/1080360454.db2.gz VJUOMXPMWAZGOZ-LJQANCHMSA-N 1 0 419.570 2.108 20 0 HEADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCCN(c2ncccc2F)CC1 ZINC000786002281 1080361772 /nfs/dbraw/zinc/36/17/72/1080361772.db2.gz AIHOGNOVWOTIKC-UHFFFAOYSA-N 1 0 413.497 2.268 20 0 HEADRO CO[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC[C@@H]1C ZINC000786003476 1080364363 /nfs/dbraw/zinc/36/43/63/1080364363.db2.gz VNWFXTBJOPCGTP-JXFKEZNVSA-N 1 0 402.539 2.039 20 0 HEADRO CC[C@]1(C)CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000786009013 1080372712 /nfs/dbraw/zinc/37/27/12/1080372712.db2.gz IELRXVYUSSIKLA-HSZRJFAPSA-N 1 0 416.566 2.431 20 0 HEADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000768168124 1080382148 /nfs/dbraw/zinc/38/21/48/1080382148.db2.gz TYRRDRRRLHRYGP-INIZCTEOSA-N 1 0 406.502 2.237 20 0 HEADRO CN(C(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000786084129 1080387760 /nfs/dbraw/zinc/38/77/60/1080387760.db2.gz ZWDRXVYWPBMKGJ-UHFFFAOYSA-N 1 0 422.570 2.024 20 0 HEADRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCCCN1C(=O)c2ccccc2C1=O ZINC000786095565 1080390557 /nfs/dbraw/zinc/39/05/57/1080390557.db2.gz IXQQDYIOZMQKDZ-UHFFFAOYSA-N 1 0 400.475 2.251 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000768200625 1080390778 /nfs/dbraw/zinc/39/07/78/1080390778.db2.gz PBISXLMQXSSJID-OOKSDGMUSA-N 1 0 407.555 2.249 20 0 HEADRO COC(=O)c1cc(COC(=O)CC2([NH+]3CCOCC3)CCCC2)cc(C(=O)OC)c1 ZINC000786095556 1080390833 /nfs/dbraw/zinc/39/08/33/1080390833.db2.gz IRBIVDLKIYEIHW-UHFFFAOYSA-N 1 0 419.474 2.338 20 0 HEADRO COc1cccc(CN(C)C(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)c1 ZINC000786095721 1080390881 /nfs/dbraw/zinc/39/08/81/1080390881.db2.gz HFVWHPNVUKFZTC-UHFFFAOYSA-N 1 0 404.507 2.232 20 0 HEADRO COc1ccccc1CNC(=O)[C@H](C)OC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786100446 1080395176 /nfs/dbraw/zinc/39/51/76/1080395176.db2.gz PDXRVTSENMAYCO-KRWDZBQOSA-N 1 0 404.507 2.278 20 0 HEADRO C[C@H]1CN(C(=O)C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)C[C@H](C)O1 ZINC000786108593 1080401470 /nfs/dbraw/zinc/40/14/70/1080401470.db2.gz PVJJEJNPZQFBDU-ROUUACIJSA-N 1 0 403.523 2.261 20 0 HEADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000768217494 1080420421 /nfs/dbraw/zinc/42/04/21/1080420421.db2.gz MLCKFWDVQLDNTP-ZWOKBUDYSA-N 1 0 415.490 2.300 20 0 HEADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768218385 1080422435 /nfs/dbraw/zinc/42/24/35/1080422435.db2.gz SEOHNWQWXRYCGS-MRXNPFEDSA-N 1 0 417.616 2.121 20 0 HEADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768222929 1080426053 /nfs/dbraw/zinc/42/60/53/1080426053.db2.gz HLUOJMZNBDBRKH-HFSMHLIXSA-N 1 0 402.491 2.446 20 0 HEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000768225039 1080429321 /nfs/dbraw/zinc/42/93/21/1080429321.db2.gz BYIRSUHDFSHBGW-CABCVRRESA-N 1 0 418.513 2.235 20 0 HEADRO CCNC(=O)COc1ccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)cc1OC ZINC000768230537 1080432972 /nfs/dbraw/zinc/43/29/72/1080432972.db2.gz RDYKQCIFRMGQOH-UHFFFAOYSA-N 1 0 405.539 2.194 20 0 HEADRO O=S1(=O)CCC(CCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000768287192 1080460119 /nfs/dbraw/zinc/46/01/19/1080460119.db2.gz UUCGRGSPHPMZRP-UHFFFAOYSA-N 1 0 409.621 2.330 20 0 HEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000786183104 1080461956 /nfs/dbraw/zinc/46/19/56/1080461956.db2.gz DIRDZBVCZMJKST-WMLDXEAASA-N 1 0 400.516 2.096 20 0 HEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC(O)(c3ccccc3)CC2)cc1 ZINC000768290765 1080462125 /nfs/dbraw/zinc/46/21/25/1080462125.db2.gz ATUMZFVAMWNDGK-UHFFFAOYSA-N 1 0 411.502 2.076 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@]2(O)CCc3ccccc3C2)CC1 ZINC000786198204 1080468963 /nfs/dbraw/zinc/46/89/63/1080468963.db2.gz SIBIPNIGPPCSCW-VWLOTQADSA-N 1 0 423.557 2.196 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)CCOC3CN(C(=O)OC(C)(C)C)C3)n2)CC1 ZINC000786202766 1080470767 /nfs/dbraw/zinc/47/07/67/1080470767.db2.gz PVHJPFDGVACYCU-UHFFFAOYSA-N 1 0 407.515 2.114 20 0 HEADRO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786171742 1080478380 /nfs/dbraw/zinc/47/83/80/1080478380.db2.gz PLUQRIMIVJBPQK-IBGZPJMESA-N 1 0 401.507 2.163 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000786247169 1080487147 /nfs/dbraw/zinc/48/71/47/1080487147.db2.gz BNTKMDQTZJWRIU-FXAWDEMLSA-N 1 0 414.554 2.014 20 0 HEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000768330522 1080490557 /nfs/dbraw/zinc/49/05/57/1080490557.db2.gz UTTDBWGINBDIFN-UHFFFAOYSA-N 1 0 421.501 2.425 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@]3(C)CCO[C@@H]3C3CC3)cc2)CC1 ZINC000768358566 1080511005 /nfs/dbraw/zinc/51/10/05/1080511005.db2.gz ALLLUANLHHKDFK-NFBKMPQASA-N 1 0 414.550 2.088 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@]3(C)CCO[C@@H]3C3CC3)cc2)CC1 ZINC000768358568 1080511125 /nfs/dbraw/zinc/51/11/25/1080511125.db2.gz ALLLUANLHHKDFK-OFNKIYASSA-N 1 0 414.550 2.088 20 0 HEADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000768406779 1080528171 /nfs/dbraw/zinc/52/81/71/1080528171.db2.gz HGYFDCRBAFVMFM-UHFFFAOYSA-N 1 0 406.534 2.424 20 0 HEADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)cc1 ZINC000786287312 1080532937 /nfs/dbraw/zinc/53/29/37/1080532937.db2.gz NBUXWWYBCDXBQR-UHFFFAOYSA-N 1 0 410.396 2.296 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000786290623 1080535775 /nfs/dbraw/zinc/53/57/75/1080535775.db2.gz AUYFBCGOKXTIKP-IXDOHACOSA-N 1 0 403.523 2.213 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000786344376 1080552937 /nfs/dbraw/zinc/55/29/37/1080552937.db2.gz OFDLSGXYDBSGIK-ZDUSSCGKSA-N 1 0 411.344 2.050 20 0 HEADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)cc1 ZINC000786315140 1080559596 /nfs/dbraw/zinc/55/95/96/1080559596.db2.gz VNTVKDCERAXYIU-UHFFFAOYSA-N 1 0 424.423 2.338 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000786328766 1080564154 /nfs/dbraw/zinc/56/41/54/1080564154.db2.gz AYUSXGKUNQLMNZ-DLBZAZTESA-N 1 0 424.586 2.079 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000786328786 1080564219 /nfs/dbraw/zinc/56/42/19/1080564219.db2.gz AYUSXGKUNQLMNZ-SJORKVTESA-N 1 0 424.586 2.079 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000786366488 1080572191 /nfs/dbraw/zinc/57/21/91/1080572191.db2.gz BUGPIOCVEJFPQP-DOTOQJQBSA-N 1 0 411.543 2.164 20 0 HEADRO CC(C)(C)OC(=O)NC1(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000786389606 1080582449 /nfs/dbraw/zinc/58/24/49/1080582449.db2.gz DENZWSXVKQVOSY-KRWDZBQOSA-N 1 0 422.570 2.027 20 0 HEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786409643 1080589694 /nfs/dbraw/zinc/58/96/94/1080589694.db2.gz PCRITNXDHXCFMV-QGZVFWFLSA-N 1 0 424.586 2.130 20 0 HEADRO C[N@H+](CCNC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)C1CCCC1 ZINC000786411723 1080590888 /nfs/dbraw/zinc/59/08/88/1080590888.db2.gz XOXVPKPBNHKCES-UHFFFAOYSA-N 1 0 424.586 2.321 20 0 HEADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(F)c(S(C)(=O)=O)c3)nc2)C1 ZINC000786413351 1080592051 /nfs/dbraw/zinc/59/20/51/1080592051.db2.gz RYQAIORQYNYMRR-OAHLLOKOSA-N 1 0 406.483 2.017 20 0 HEADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2ccc(Br)nc2)cc1 ZINC000786426006 1080595935 /nfs/dbraw/zinc/59/59/35/1080595935.db2.gz CXUMIYRWMWNKEJ-UHFFFAOYSA-N 1 0 405.296 2.203 20 0 HEADRO CCOC(=O)c1ccc2c(c1)n(CN1CCC[C@@H]3C[N@H+](C)CC[C@H]31)c(=O)n2CC ZINC000768504735 1080596093 /nfs/dbraw/zinc/59/60/93/1080596093.db2.gz VZYVLGWAQCVPAR-QZTJIDSGSA-N 1 0 400.523 2.373 20 0 HEADRO Cc1cc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)ccc1N1CCOCC1 ZINC000786429126 1080597087 /nfs/dbraw/zinc/59/70/87/1080597087.db2.gz YGQGPUJNSYXCFW-UHFFFAOYSA-N 1 0 424.545 2.191 20 0 HEADRO Cc1nc(Cn2cc(C(=O)OCC3(C)CC[NH+](Cc4ccccc4)CC3)nn2)no1 ZINC000786436684 1080599778 /nfs/dbraw/zinc/59/97/78/1080599778.db2.gz BGQZGCXNFNPGFR-UHFFFAOYSA-N 1 0 410.478 2.477 20 0 HEADRO Cc1nc(CCNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000786482252 1080622788 /nfs/dbraw/zinc/62/27/88/1080622788.db2.gz LEVNQKZLACNVBE-NRFANRHFSA-N 1 0 400.548 2.139 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000768576153 1080641126 /nfs/dbraw/zinc/64/11/26/1080641126.db2.gz BQHACKBFHQZLHR-CWFSZBLJSA-N 1 0 403.498 2.063 20 0 HEADRO COC(=O)COc1c(C)cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1C ZINC000768577490 1080643260 /nfs/dbraw/zinc/64/32/60/1080643260.db2.gz IDUCVZUVUPBINQ-VQTJNVASSA-N 1 0 418.534 2.353 20 0 HEADRO O=C(COc1ccc2ccc(=O)oc2c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000768582864 1080664827 /nfs/dbraw/zinc/66/48/27/1080664827.db2.gz RSVRHUZUGXZVHK-OALUTQOASA-N 1 0 400.475 2.056 20 0 HEADRO CCOC(=O)C1(C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000768603487 1080678829 /nfs/dbraw/zinc/67/88/29/1080678829.db2.gz DETWEGHDAKXNHN-UHFFFAOYSA-N 1 0 406.504 2.060 20 0 HEADRO CCN(C(=O)C(=O)NCc1ccc(Cl)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000786603164 1080703705 /nfs/dbraw/zinc/70/37/05/1080703705.db2.gz OJZSNUZZGIGRTH-SFHVURJKSA-N 1 0 400.910 2.474 20 0 HEADRO CC(C)[C@H](CNC(=O)C(=O)NCC[C@](C)(O)c1ccccc1)[NH+]1CCCCCC1 ZINC000786627526 1080723336 /nfs/dbraw/zinc/72/33/36/1080723336.db2.gz LFKKAFGZCMGERP-REWPJTCUSA-N 1 0 403.567 2.417 20 0 HEADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000768711276 1080727167 /nfs/dbraw/zinc/72/71/67/1080727167.db2.gz MDJUNWZZADNIEW-WCXIOVBPSA-N 1 0 403.589 2.472 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)[NH+]1CCCCC1 ZINC000768715714 1080731954 /nfs/dbraw/zinc/73/19/54/1080731954.db2.gz HBCSDHGGUDUXKK-ZDUSSCGKSA-N 1 0 424.427 2.215 20 0 HEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)CC(C)C ZINC000786649789 1080734125 /nfs/dbraw/zinc/73/41/25/1080734125.db2.gz MFKMMASINJTZLE-YVSFHVDLSA-N 1 0 401.642 2.355 20 0 HEADRO COc1ccc(C(=O)NCC[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1 ZINC000768685748 1080747135 /nfs/dbraw/zinc/74/71/35/1080747135.db2.gz GZLMNUSWXYHQBV-SJLPKXTDSA-N 1 0 421.538 2.429 20 0 HEADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000768690445 1080749031 /nfs/dbraw/zinc/74/90/31/1080749031.db2.gz MFZLKNOZLOJLCH-MJGOQNOKSA-N 1 0 420.554 2.422 20 0 HEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000746600218 1080768677 /nfs/dbraw/zinc/76/86/77/1080768677.db2.gz QOLWJUKXHLXSHF-MRXNPFEDSA-N 1 0 423.970 2.456 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000786719300 1080771223 /nfs/dbraw/zinc/77/12/23/1080771223.db2.gz OOBUCEHNRWYGKV-ZWKOTPCHSA-N 1 0 419.551 2.193 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000786729337 1080778645 /nfs/dbraw/zinc/77/86/45/1080778645.db2.gz ASNPUIZBIYXRJX-QGZVFWFLSA-N 1 0 413.588 2.402 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000786722017 1080799990 /nfs/dbraw/zinc/79/99/90/1080799990.db2.gz FICXZIFOHHDIOX-INIZCTEOSA-N 1 0 413.588 2.260 20 0 HEADRO CCOC(CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)OCC ZINC000786770104 1080811666 /nfs/dbraw/zinc/81/16/66/1080811666.db2.gz RAYSKCDOSWZMET-GOSISDBHSA-N 1 0 405.539 2.015 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=S)N=NC2c2ccc(OC)cc2)[C@H](C)C1 ZINC000746607706 1080815469 /nfs/dbraw/zinc/81/54/69/1080815469.db2.gz JDMNAIKAPPOQGM-PBHICJAKSA-N 1 0 403.552 2.431 20 0 HEADRO COCCOc1ccc(-n2nc(C)c(C(=O)N3CCCC34CC[NH+](C)CC4)n2)cc1 ZINC000768840381 1080819948 /nfs/dbraw/zinc/81/99/48/1080819948.db2.gz CREUYMFWPVNTGH-UHFFFAOYSA-N 1 0 413.522 2.301 20 0 HEADRO C[C@@H]([NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786829609 1080827721 /nfs/dbraw/zinc/82/77/21/1080827721.db2.gz ADAGFHKHQFINRQ-QGZVFWFLSA-N 1 0 417.554 2.420 20 0 HEADRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786831376 1080828280 /nfs/dbraw/zinc/82/82/80/1080828280.db2.gz IHIBXDIMSJKGNA-HNNXBMFYSA-N 1 0 403.504 2.349 20 0 HEADRO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000786814949 1080840879 /nfs/dbraw/zinc/84/08/79/1080840879.db2.gz DUIJTHDHZLVTDL-QFBILLFUSA-N 1 0 401.507 2.383 20 0 HEADRO CC(C)Oc1cccc(CNC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000786846548 1080848393 /nfs/dbraw/zinc/84/83/93/1080848393.db2.gz ZIDJYEHWNIGCHW-UHFFFAOYSA-N 1 0 401.482 2.477 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)CN(C)C(=O)OCc2ccccc2)CC1 ZINC001169997819 1080873423 /nfs/dbraw/zinc/87/34/23/1080873423.db2.gz FUAMLHOVXDCPAB-UHFFFAOYSA-N 1 0 403.523 2.358 20 0 HEADRO CON(C)C(=O)c1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000768986742 1080875792 /nfs/dbraw/zinc/87/57/92/1080875792.db2.gz AHAXEIJNIPWWHY-MOPGFXCFSA-N 1 0 404.511 2.209 20 0 HEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000786903230 1080876754 /nfs/dbraw/zinc/87/67/54/1080876754.db2.gz WSTZMDIZLUBBKR-GOSISDBHSA-N 1 0 414.550 2.317 20 0 HEADRO CC(C)(C)OC(=O)NCc1cccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000786912665 1080880742 /nfs/dbraw/zinc/88/07/42/1080880742.db2.gz UBEGSLWQSOGCIC-MOPGFXCFSA-N 1 0 403.523 2.383 20 0 HEADRO COCC(=O)Nc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000768956665 1080882191 /nfs/dbraw/zinc/88/21/91/1080882191.db2.gz BTGNUVKDPIRDKB-RTBURBONSA-N 1 0 404.511 2.161 20 0 HEADRO [NH3+]CCN(c1cc2c(ncnc2Cl)[nH]1)S(=O)(=O)c1cccc2cnccc21 ZINC001170065396 1080882635 /nfs/dbraw/zinc/88/26/35/1080882635.db2.gz DIIAOAXXEJRNFT-UHFFFAOYSA-N 1 0 402.867 2.314 20 0 HEADRO CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000768961608 1080884129 /nfs/dbraw/zinc/88/41/29/1080884129.db2.gz BLKZINDFBQQXGO-QZTJIDSGSA-N 1 0 412.575 2.263 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)C1 ZINC000743993558 1080886448 /nfs/dbraw/zinc/88/64/48/1080886448.db2.gz SVSOFMISVGBNOM-AWEZNQCLSA-N 1 0 424.427 2.167 20 0 HEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)C1 ZINC000743994457 1080886705 /nfs/dbraw/zinc/88/67/05/1080886705.db2.gz WVHHNOJTQPGBEJ-GOSISDBHSA-N 1 0 404.511 2.202 20 0 HEADRO CCOC(CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)OCC ZINC000786969979 1080895725 /nfs/dbraw/zinc/89/57/25/1080895725.db2.gz IGBOJEGHOFJADM-MRXNPFEDSA-N 1 0 400.541 2.147 20 0 HEADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000769092152 1080903055 /nfs/dbraw/zinc/90/30/55/1080903055.db2.gz YIIHQSVHLCUYGV-SFHVURJKSA-N 1 0 400.516 2.395 20 0 HEADRO C[N@H+](CCOC(=O)CSc1ccc(S(N)(=O)=O)cc1)Cc1ccc(F)cc1 ZINC000769093822 1080903465 /nfs/dbraw/zinc/90/34/65/1080903465.db2.gz VJBNRGHDKSNQMF-UHFFFAOYSA-N 1 0 412.508 2.240 20 0 HEADRO C[N@H+](CCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000769095874 1080905007 /nfs/dbraw/zinc/90/50/07/1080905007.db2.gz QWPYODPTRDYXQM-UXHICEINSA-N 1 0 418.440 2.215 20 0 HEADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000769077115 1080929712 /nfs/dbraw/zinc/92/97/12/1080929712.db2.gz OPKAJQKUJREHHM-FQEVSTJZSA-N 1 0 416.566 2.275 20 0 HEADRO C[N@H+](CCOC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)Cc1ccc(F)cc1 ZINC000769114555 1080939898 /nfs/dbraw/zinc/93/98/98/1080939898.db2.gz JUVOEHFCOQEJII-UHFFFAOYSA-N 1 0 412.421 2.260 20 0 HEADRO CCC(=O)NCc1cccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1 ZINC001170065998 1080944310 /nfs/dbraw/zinc/94/43/10/1080944310.db2.gz KQRQMJFREKFTEU-UHFFFAOYSA-N 1 0 412.515 2.415 20 0 HEADRO COC(=O)CC(C)(C)C(=O)OCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000769123021 1080944802 /nfs/dbraw/zinc/94/48/02/1080944802.db2.gz TUBKWQIWVFNVPZ-UHFFFAOYSA-N 1 0 404.507 2.162 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000769145331 1080960017 /nfs/dbraw/zinc/96/00/17/1080960017.db2.gz NJOAHUNJLIBEFR-HZPDHXFCSA-N 1 0 400.976 2.265 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(CC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000769103364 1080962549 /nfs/dbraw/zinc/96/25/49/1080962549.db2.gz RLOVZSWLSWYZAN-UHFFFAOYSA-N 1 0 416.566 2.150 20 0 HEADRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cn1 ZINC000769192122 1080967495 /nfs/dbraw/zinc/96/74/95/1080967495.db2.gz DDKAUTFUESJWDI-KRWDZBQOSA-N 1 0 405.543 2.001 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000769153761 1080972335 /nfs/dbraw/zinc/97/23/35/1080972335.db2.gz KBNIQMJLRJGTJE-KZNAEPCWSA-N 1 0 410.559 2.063 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000769156864 1080974678 /nfs/dbraw/zinc/97/46/78/1080974678.db2.gz UMFGSQNCHYYWBF-MOPGFXCFSA-N 1 0 424.586 2.311 20 0 HEADRO CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000769156159 1080974767 /nfs/dbraw/zinc/97/47/67/1080974767.db2.gz QGFOHBVUQBCZHN-QRVBRYPASA-N 1 0 424.586 2.453 20 0 HEADRO CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000769157929 1080975228 /nfs/dbraw/zinc/97/52/28/1080975228.db2.gz XNLIPVHIVLOMRV-IPMKNSEASA-N 1 0 424.586 2.453 20 0 HEADRO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000769157079 1080976502 /nfs/dbraw/zinc/97/65/02/1080976502.db2.gz SVJTXBIQIHAZMD-UKBAYJJMSA-N 1 0 424.586 2.404 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000769158118 1080976975 /nfs/dbraw/zinc/97/69/75/1080976975.db2.gz YIJQZAYUJYJYFF-YTQUADARSA-N 1 0 424.586 2.311 20 0 HEADRO CCOC(=O)N(C)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000769162508 1080980062 /nfs/dbraw/zinc/98/00/62/1080980062.db2.gz PMTWTXHOCZZEKE-RTBURBONSA-N 1 0 410.559 2.017 20 0 HEADRO CC(C)(C)OC(=O)N1CCCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000769164496 1080982071 /nfs/dbraw/zinc/98/20/71/1080982071.db2.gz AXCNRRAFUBAUPT-OALUTQOASA-N 1 0 424.586 2.407 20 0 HEADRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C12CCCCC2 ZINC001170002473 1081000335 /nfs/dbraw/zinc/00/03/35/1081000335.db2.gz MVTXGGALLDUEHK-MOPGFXCFSA-N 1 0 408.564 2.424 20 0 HEADRO CC[NH+]1CCN(CCNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000769204878 1081001240 /nfs/dbraw/zinc/00/12/40/1081001240.db2.gz ISILZCZHJWNYHN-HXUWFJFHSA-N 1 0 416.566 2.275 20 0 HEADRO Cn1cccc1C(=O)N1CCO[C@@H]2C[N@@H+](C3CC(C)(C)N(O)C(C)(C)C3)C[C@@H]2C1 ZINC001170003083 1081003442 /nfs/dbraw/zinc/00/34/42/1081003442.db2.gz XFGZSDVGIQNVMD-QFBILLFUSA-N 1 0 404.555 2.209 20 0 HEADRO CCc1nc(C)c([C@H](C)N(C)C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000787109190 1081003902 /nfs/dbraw/zinc/00/39/02/1081003902.db2.gz QUWXVZTYHFYDRD-DOTOQJQBSA-N 1 0 422.595 2.293 20 0 HEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@H]3CCCOCC3)CC2)cc1 ZINC000787110955 1081004621 /nfs/dbraw/zinc/00/46/21/1081004621.db2.gz JUJVQVCMWOGRLF-IBGZPJMESA-N 1 0 404.507 2.089 20 0 HEADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787112794 1081005084 /nfs/dbraw/zinc/00/50/84/1081005084.db2.gz DWBLWVPCXWFXPD-LDBYXDLTSA-N 1 0 417.525 2.325 20 0 HEADRO CN1C(=O)NC2(CC[NH+](CCOc3ccccc3C(=O)OC(C)(C)C)CC2)C1=O ZINC000769217237 1081005365 /nfs/dbraw/zinc/00/53/65/1081005365.db2.gz MDSBKVBNNLDIKX-UHFFFAOYSA-N 1 0 403.479 2.037 20 0 HEADRO CN(CCCCc1ccccc1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787120731 1081008649 /nfs/dbraw/zinc/00/86/49/1081008649.db2.gz BZRGMGWVWUOLRC-OAQYLSRUSA-N 1 0 401.551 2.227 20 0 HEADRO O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787121220 1081009624 /nfs/dbraw/zinc/00/96/24/1081009624.db2.gz FAQFGCWVAFTMEA-BVSLBCMMSA-N 1 0 413.562 2.274 20 0 HEADRO C[C@@H]1NC(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)=NN(c2ccccc2)C1=O ZINC000746636749 1081010113 /nfs/dbraw/zinc/01/01/13/1081010113.db2.gz NPGBLXRXLCUOTJ-KBXCAEBGSA-N 1 0 413.909 2.397 20 0 HEADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000769232350 1081010594 /nfs/dbraw/zinc/01/05/94/1081010594.db2.gz NIGDQKUKXJVZTJ-UHFFFAOYSA-N 1 0 406.527 2.416 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000746637807 1081013728 /nfs/dbraw/zinc/01/37/28/1081013728.db2.gz SSBKNODTYKANNX-RTBURBONSA-N 1 0 413.909 2.179 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000787103330 1081014536 /nfs/dbraw/zinc/01/45/36/1081014536.db2.gz CXKGCTFWWOHSSG-NRFANRHFSA-N 1 0 417.525 2.324 20 0 HEADRO Cc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000787104596 1081014731 /nfs/dbraw/zinc/01/47/31/1081014731.db2.gz KCNGIHGPWCMKGO-RHSMWYFYSA-N 1 0 408.568 2.039 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1c(=O)oc2cc(Br)ccc21 ZINC000746638949 1081015798 /nfs/dbraw/zinc/01/57/98/1081015798.db2.gz VCYMBLLOBBVULY-IIAWOOMASA-N 1 0 410.312 2.498 20 0 HEADRO O=C(NCCc1ccc(Cl)nc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000787136435 1081022187 /nfs/dbraw/zinc/02/21/87/1081022187.db2.gz IIZCTJADINTAND-UHFFFAOYSA-N 1 0 418.900 2.314 20 0 HEADRO Cc1ccccc1C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787136302 1081022697 /nfs/dbraw/zinc/02/26/97/1081022697.db2.gz GJYWGIHDGRZKLI-YADHBBJMSA-N 1 0 413.562 2.288 20 0 HEADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000787137978 1081024268 /nfs/dbraw/zinc/02/42/68/1081024268.db2.gz SHJGPAFLYBWHHF-INIZCTEOSA-N 1 0 413.493 2.276 20 0 HEADRO Cc1nc2c(s1)[C@H](N(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000787141506 1081025269 /nfs/dbraw/zinc/02/52/69/1081025269.db2.gz VQJDHOAXKHQCSR-FUHWJXTLSA-N 1 0 420.579 2.047 20 0 HEADRO Cc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000787141511 1081025301 /nfs/dbraw/zinc/02/53/01/1081025301.db2.gz VQJDHOAXKHQCSR-WMZOPIPTSA-N 1 0 420.579 2.047 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000787141497 1081025455 /nfs/dbraw/zinc/02/54/55/1081025455.db2.gz VNAPNLZHBITEQB-RBBKRZOGSA-N 1 0 413.562 2.227 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000769276621 1081028263 /nfs/dbraw/zinc/02/82/63/1081028263.db2.gz YSVYLUZSEYTSQE-MRXNPFEDSA-N 1 0 418.538 2.293 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NCC[S@](=O)C(C)(C)C)cc1 ZINC000787155482 1081033510 /nfs/dbraw/zinc/03/35/10/1081033510.db2.gz GBHNWWCHTVWHHF-JWRCQZCYSA-N 1 0 421.607 2.341 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000769306415 1081038111 /nfs/dbraw/zinc/03/81/11/1081038111.db2.gz GRPNAIXRMJPSRM-BZUAXINKSA-N 1 0 421.460 2.034 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000769306417 1081038193 /nfs/dbraw/zinc/03/81/93/1081038193.db2.gz GRPNAIXRMJPSRM-OWCLPIDISA-N 1 0 421.460 2.034 20 0 HEADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000769314946 1081040036 /nfs/dbraw/zinc/04/00/36/1081040036.db2.gz JZLZECRHADLHNU-DUAMUMGJSA-N 1 0 409.596 2.128 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000769316312 1081040655 /nfs/dbraw/zinc/04/06/55/1081040655.db2.gz OEYOYDURRZUOEC-VAMGGRTRSA-N 1 0 407.461 2.342 20 0 HEADRO Cc1cccnc1C(F)(F)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000787164558 1081040779 /nfs/dbraw/zinc/04/07/79/1081040779.db2.gz PFRFHBWUQSGZCA-UHFFFAOYSA-N 1 0 410.509 2.424 20 0 HEADRO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661481 1081043665 /nfs/dbraw/zinc/04/36/65/1081043665.db2.gz KKJRUTXJRNXMIR-QGZVFWFLSA-N 1 0 411.543 2.262 20 0 HEADRO C[C@H](CNC(=O)C(=O)NCc1cccc(OCC(F)(F)F)c1)[NH+]1CCCCC1 ZINC000787178011 1081046838 /nfs/dbraw/zinc/04/68/38/1081046838.db2.gz PTOCQRGPQMXDJQ-CQSZACIVSA-N 1 0 401.429 2.235 20 0 HEADRO COc1cc(CNC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1OC(C)C ZINC000787217599 1081052170 /nfs/dbraw/zinc/05/21/70/1081052170.db2.gz QFMJZDNBAUDVRL-LJQANCHMSA-N 1 0 417.550 2.289 20 0 HEADRO COc1cc(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC(C)C ZINC000787218000 1081052230 /nfs/dbraw/zinc/05/22/30/1081052230.db2.gz QOUMIAYQTKEBOM-GOSISDBHSA-N 1 0 403.523 2.043 20 0 HEADRO C[C@@H](CNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)C[NH+]1CCCCC1 ZINC000769368672 1081055201 /nfs/dbraw/zinc/05/52/01/1081055201.db2.gz GEHAHDDVYYEQSU-INIZCTEOSA-N 1 0 411.493 2.484 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000769383945 1081059069 /nfs/dbraw/zinc/05/90/69/1081059069.db2.gz HLGKFMMRNWPMJZ-MAUKXSAKSA-N 1 0 409.477 2.188 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787203755 1081060477 /nfs/dbraw/zinc/06/04/77/1081060477.db2.gz XMAGFSXGFOBVRE-SJLPKXTDSA-N 1 0 410.534 2.404 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000769423005 1081069042 /nfs/dbraw/zinc/06/90/42/1081069042.db2.gz ITVVUHOCTRTUPD-CPUCHLNUSA-N 1 0 420.000 2.349 20 0 HEADRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000769434571 1081073319 /nfs/dbraw/zinc/07/33/19/1081073319.db2.gz NCDBZJGYXPBQEJ-QFIPXVFZSA-N 1 0 412.534 2.271 20 0 HEADRO Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)n2)c1 ZINC000787224048 1081077878 /nfs/dbraw/zinc/07/78/78/1081077878.db2.gz CBSGBFBARLECAC-RDJZCZTQSA-N 1 0 413.526 2.179 20 0 HEADRO COc1cc(CNC(=O)C(=O)N(C)CCCn2ccnc2C)ccc1OC(C)C ZINC000787236196 1081083450 /nfs/dbraw/zinc/08/34/50/1081083450.db2.gz DSCPZNMMPKSVCN-UHFFFAOYSA-N 1 0 402.495 2.152 20 0 HEADRO COc1cc(CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)ccc1OC(C)C ZINC000787239023 1081085012 /nfs/dbraw/zinc/08/50/12/1081085012.db2.gz WAQFNPDBFKNRAF-UHFFFAOYSA-N 1 0 405.539 2.289 20 0 HEADRO C[N@@H+](Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C[C@H](O)CN1CCOCC1 ZINC000769468934 1081089615 /nfs/dbraw/zinc/08/96/15/1081089615.db2.gz QKSCIXGZTXPRHY-IBGZPJMESA-N 1 0 405.539 2.109 20 0 HEADRO CC(C)(O)c1ccc(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000787288699 1081093367 /nfs/dbraw/zinc/09/33/67/1081093367.db2.gz CBTJMJHBQRHSQG-UHFFFAOYSA-N 1 0 409.530 2.442 20 0 HEADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000769494208 1081095627 /nfs/dbraw/zinc/09/56/27/1081095627.db2.gz HFQYEQXGMSEPSG-WBVHZDCISA-N 1 0 402.499 2.166 20 0 HEADRO CCOC(=O)C1=C(CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)NC(=O)N[C@H]1C ZINC000787299527 1081097273 /nfs/dbraw/zinc/09/72/73/1081097273.db2.gz INDASOWCZHGTKM-ZACQAIPSSA-N 1 0 414.550 2.251 20 0 HEADRO C[C@@H]1CN(CCNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769501570 1081099040 /nfs/dbraw/zinc/09/90/40/1081099040.db2.gz BPXAQCFYNWQZIJ-RHSMWYFYSA-N 1 0 402.461 2.328 20 0 HEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000787265365 1081099607 /nfs/dbraw/zinc/09/96/07/1081099607.db2.gz ZLDNVTWCISCOPL-QAPCUYQASA-N 1 0 410.559 2.184 20 0 HEADRO C[C@H]1[C@H](C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000787267730 1081100574 /nfs/dbraw/zinc/10/05/74/1081100574.db2.gz DWDHSIHBVFIOKP-INDMIFKZSA-N 1 0 408.587 2.307 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000769519727 1081106235 /nfs/dbraw/zinc/10/62/35/1081106235.db2.gz NASZRTYLWNGCCA-VQIMIIECSA-N 1 0 420.554 2.356 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769530064 1081111153 /nfs/dbraw/zinc/11/11/53/1081111153.db2.gz IZMPMXCAVNBPIJ-HZPDHXFCSA-N 1 0 417.428 2.282 20 0 HEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccccc2I)CC1 ZINC000769534685 1081113107 /nfs/dbraw/zinc/11/31/07/1081113107.db2.gz WPELAZLECDFCBS-MRXNPFEDSA-N 1 0 413.303 2.030 20 0 HEADRO COc1ccc(C2N=NC(=S)N2CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000769598759 1081117183 /nfs/dbraw/zinc/11/71/83/1081117183.db2.gz DWWUMLYTXYJRSY-RDJZCZTQSA-N 1 0 401.536 2.185 20 0 HEADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000769555138 1081123902 /nfs/dbraw/zinc/12/39/02/1081123902.db2.gz UPARCZWRFDBUGV-QAPCUYQASA-N 1 0 403.523 2.477 20 0 HEADRO CC[N@H+](CCO)CCNC(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC000769635794 1081154519 /nfs/dbraw/zinc/15/45/19/1081154519.db2.gz PNLLCDYRQCUDKN-UHFFFAOYSA-N 1 0 416.547 2.318 20 0 HEADRO CC[N@H+](CCO)CCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000769635816 1081154542 /nfs/dbraw/zinc/15/45/42/1081154542.db2.gz PSWNMDFFFOSNNU-UHFFFAOYSA-N 1 0 422.263 2.253 20 0 HEADRO COc1cccc(COC[C@@H](O)C[NH+]2CCC(OC)(c3nc(C4CC4)no3)CC2)c1 ZINC000225838896 568782922 /nfs/dbraw/zinc/78/29/22/568782922.db2.gz JONXSBJFGDJMRT-SFHVURJKSA-N 1 0 417.506 2.471 20 0 HEADRO O=C1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)CC2(CC[NH2+]CC2)N1 ZINC001164392592 718810044 /nfs/dbraw/zinc/81/00/44/718810044.db2.gz MPYTWUYQNOGNPT-UHFFFAOYSA-N 1 0 407.852 2.400 20 0 HEADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1C ZINC001164407430 718839511 /nfs/dbraw/zinc/83/95/11/718839511.db2.gz WUHUTHZMNAYIKU-QGZVFWFLSA-N 1 0 400.596 2.388 20 0 HEADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3C[NH2+]C[C@]3(CO)C2)n1 ZINC001164401773 718854197 /nfs/dbraw/zinc/85/41/97/718854197.db2.gz CXWSLQNYJOECHR-OPAMFIHVSA-N 1 0 409.559 2.438 20 0 HEADRO COc1ccccc1-c1cc(C(F)(F)N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c(Cl)nn1 ZINC001164410055 718854800 /nfs/dbraw/zinc/85/48/00/718854800.db2.gz YMFQMKPXCFPTEC-XIKOKIGWSA-N 1 0 410.852 2.369 20 0 HEADRO COc1cccc(-c2cc(C(F)(F)N3CCNC(=O)C34C[NH2+]C4)cnc2Cl)c1 ZINC001164413218 718879606 /nfs/dbraw/zinc/87/96/06/718879606.db2.gz DTFBMTBMFDYUEA-UHFFFAOYSA-N 1 0 408.836 2.234 20 0 HEADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c1 ZINC001164422653 718944193 /nfs/dbraw/zinc/94/41/93/718944193.db2.gz ANYNFNYDKKTNMY-DZGCQCFKSA-N 1 0 414.865 2.003 20 0 HEADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN([C@H](F)Oc1cncc(Cl)n1)C2 ZINC001164614162 719011475 /nfs/dbraw/zinc/01/14/75/719011475.db2.gz DEJWLOLSZHEDAK-IXDGSTSKSA-N 1 0 412.893 2.407 20 0 HEADRO CCOC(=O)c1ccc(C(F)(F)N2[C@H](C(=O)OCC)C[C@@H]3C[NH2+]C[C@H]32)c(Cl)n1 ZINC001164615928 719016725 /nfs/dbraw/zinc/01/67/25/719016725.db2.gz JUSXZBFGTVOSJQ-DDTOSNHZSA-N 1 0 417.840 2.186 20 0 HEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164614847 719019177 /nfs/dbraw/zinc/01/91/77/719019177.db2.gz GQJYQLMWUVNHBJ-KGYLQXTDSA-N 1 0 418.828 2.102 20 0 HEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164614184 719020937 /nfs/dbraw/zinc/02/09/37/719020937.db2.gz DGXQYKZJTOFYLQ-LPEHRKFASA-N 1 0 417.869 2.100 20 0 HEADRO CCCNC(=O)c1cccnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164617089 719031248 /nfs/dbraw/zinc/03/12/48/719031248.db2.gz GICRGEDHAQTCJY-UHFFFAOYSA-N 1 0 402.539 2.465 20 0 HEADRO Clc1nc(N2CCOCC2)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164622781 719065797 /nfs/dbraw/zinc/06/57/97/719065797.db2.gz ISJAQZBWRQSNRM-ROUUACIJSA-N 1 0 414.941 2.462 20 0 HEADRO C[NH+](C)Cc1ccnc(N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)c1 ZINC001164654523 719322309 /nfs/dbraw/zinc/32/23/09/719322309.db2.gz QXXBWCQINLIGGQ-QFIPXVFZSA-N 1 0 411.481 2.324 20 0 HEADRO COC(=O)/C=C\c1cc2cc[nH]c2c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164684779 719633476 /nfs/dbraw/zinc/63/34/76/719633476.db2.gz XPALXUULWXGAHQ-WAYWQWQTSA-N 1 0 408.506 2.421 20 0 HEADRO O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ccc(C[NH+]2CCCC2)cn1)N1CCCC1 ZINC001164711448 720085285 /nfs/dbraw/zinc/08/52/85/720085285.db2.gz MYOATRQNBCFTEI-VIZSFHNOSA-N 1 0 414.550 2.053 20 0 HEADRO CCOc1ccc(C(=O)OC)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164811870 720130026 /nfs/dbraw/zinc/13/00/26/720130026.db2.gz NTYNHQPCTLQBOW-VGSWGCGISA-N 1 0 403.523 2.452 20 0 HEADRO Cc1nc2sccc2c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164713955 720163149 /nfs/dbraw/zinc/16/31/49/720163149.db2.gz NACOJVWMQAYUDB-KRWDZBQOSA-N 1 0 413.551 2.344 20 0 HEADRO Cc1csc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164715578 720164620 /nfs/dbraw/zinc/16/46/20/720164620.db2.gz UUIUKEJLIUOPPC-INIZCTEOSA-N 1 0 413.551 2.344 20 0 HEADRO Cc1ccc2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164719594 720173606 /nfs/dbraw/zinc/17/36/06/720173606.db2.gz WODBKHIEOHUNSP-HXUWFJFHSA-N 1 0 407.522 2.283 20 0 HEADRO Cn1nnc2c1CCN(c1ncnc3c(F)cccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715456 720179169 /nfs/dbraw/zinc/17/91/69/720179169.db2.gz CNLAWLCKKWRNTO-GOSISDBHSA-N 1 0 411.485 2.114 20 0 HEADRO Cn1nnc2c1CCN([C@@H](F)Oc1cccc(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720163 720181594 /nfs/dbraw/zinc/18/15/94/720181594.db2.gz ZRXXVAVCNYVOAS-DNVCBOLYSA-N 1 0 424.908 2.207 20 0 HEADRO Cc1cccc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164715972 720184733 /nfs/dbraw/zinc/18/47/33/720184733.db2.gz FXICAYOXBRUECT-IBGZPJMESA-N 1 0 407.522 2.283 20 0 HEADRO Cn1nnc2c1CCN(c1cc(-c3ccccc3)ncn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714751 720196133 /nfs/dbraw/zinc/19/61/33/720196133.db2.gz HTBXCOZGSDHHRR-OAQYLSRUSA-N 1 0 419.533 2.488 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1ccn3C)CCC2 ZINC001164814105 720218509 /nfs/dbraw/zinc/21/85/09/720218509.db2.gz TZDSKMXRMIWIJQ-UHFFFAOYSA-N 1 0 415.929 2.429 20 0 HEADRO CCOC(=O)c1cccnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827948 720293014 /nfs/dbraw/zinc/29/30/14/720293014.db2.gz YPLDXTWPDDRUNJ-MOPGFXCFSA-N 1 0 400.523 2.170 20 0 HEADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164821984 720294769 /nfs/dbraw/zinc/29/47/69/720294769.db2.gz MDFQQEATNZGMQV-RBUKOAKNSA-N 1 0 400.523 2.170 20 0 HEADRO COC(=O)c1cc(C)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164833000 720325943 /nfs/dbraw/zinc/32/59/43/720325943.db2.gz VIIZDMJTDKYISS-RTBURBONSA-N 1 0 400.523 2.088 20 0 HEADRO COC(=O)c1cc(C)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164832997 720326045 /nfs/dbraw/zinc/32/60/45/720326045.db2.gz VIIZDMJTDKYISS-MOPGFXCFSA-N 1 0 400.523 2.088 20 0 HEADRO CC(C)COc1nccnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828389 720348072 /nfs/dbraw/zinc/34/80/72/720348072.db2.gz OOROLKFNCBGBFN-RTBURBONSA-N 1 0 401.555 2.423 20 0 HEADRO COC(=O)C1CCN(c2ccnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)CC1 ZINC001164727084 720412176 /nfs/dbraw/zinc/41/21/76/720412176.db2.gz DBEACJZPZXFKBM-VQTJNVASSA-N 1 0 422.533 2.114 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)ncc3C(N)=O)CC[C@@H]21 ZINC001164837129 720513391 /nfs/dbraw/zinc/51/33/91/720513391.db2.gz NRMZWHQYTREXSD-VYDXJSESSA-N 1 0 402.930 2.408 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(Cl)cc3C(N)=O)CC[C@@H]21 ZINC001164840638 720514676 /nfs/dbraw/zinc/51/46/76/720514676.db2.gz XBOFOMHDEJGCKR-HFTRVMKXSA-N 1 0 402.930 2.408 20 0 HEADRO COC(=O)c1cc(OC)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839418 720525612 /nfs/dbraw/zinc/52/56/12/720525612.db2.gz UDCCTSHFTZCAGT-ABSDTBQOSA-N 1 0 413.522 2.451 20 0 HEADRO C[NH+]1CCN(c2ccc(N3CCO[C@]4(CCC[C@@H]4COc4ccccn4)C3)nn2)CC1 ZINC001164733127 720537896 /nfs/dbraw/zinc/53/78/96/720537896.db2.gz AVNNRIICCQOEDD-AUSIDOKSSA-N 1 0 424.549 2.078 20 0 HEADRO CN(C)c1nc(-c2ccccc2)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164728825 720570229 /nfs/dbraw/zinc/57/02/29/720570229.db2.gz NDPAULPPCSIMJK-UHFFFAOYSA-N 1 0 418.549 2.460 20 0 HEADRO Cc1nc2c(nc(Cl)nc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1C ZINC001164736626 720578659 /nfs/dbraw/zinc/57/86/59/720578659.db2.gz PLDJWDIVTLGOGZ-UHFFFAOYSA-N 1 0 400.918 2.180 20 0 HEADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738330 720665023 /nfs/dbraw/zinc/66/50/23/720665023.db2.gz IYLHEPKYFGNXGU-LSDHHAIUSA-N 1 0 417.897 2.352 20 0 HEADRO c1ccc(COc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164742551 720693278 /nfs/dbraw/zinc/69/32/78/720693278.db2.gz VNRJUPPLXDKLMN-OALUTQOASA-N 1 0 404.474 2.188 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc(Cl)c1C(N)=O)CC2 ZINC001164840506 720698015 /nfs/dbraw/zinc/69/80/15/720698015.db2.gz FRLIQABOEKCSMB-INIZCTEOSA-N 1 0 415.925 2.489 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(Cl)nc1C(N)=O)CC2 ZINC001164843345 720698213 /nfs/dbraw/zinc/69/82/13/720698213.db2.gz OFXSHEBQWKXXOL-MRXNPFEDSA-N 1 0 415.925 2.489 20 0 HEADRO O=C(Nc1ccccc1)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743713 720703387 /nfs/dbraw/zinc/70/33/87/720703387.db2.gz XUVQMMITYTYOIF-VQTJNVASSA-N 1 0 416.485 2.466 20 0 HEADRO CN(C)c1ccc(-c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164741819 720741791 /nfs/dbraw/zinc/74/17/91/720741791.db2.gz NCCIFJAHEIXTEY-UXHICEINSA-N 1 0 417.517 2.342 20 0 HEADRO COC(=O)C[C@H](c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1)C1CC1 ZINC001164737923 720751079 /nfs/dbraw/zinc/75/10/79/720751079.db2.gz DMUSPLCQAFSWKH-DYXWJJEUSA-N 1 0 423.517 2.270 20 0 HEADRO COc1ccccc1-c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737527 720770726 /nfs/dbraw/zinc/77/07/26/720770726.db2.gz CETRANGBLPFVEX-IAGOWNOFSA-N 1 0 404.474 2.284 20 0 HEADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164748259 720810371 /nfs/dbraw/zinc/81/03/71/720810371.db2.gz QDRJMDIFMBFOPL-HSALFYBXSA-N 1 0 410.522 2.229 20 0 HEADRO O=C(NCCc1ccccc1)[C@@]12COC[C@@H]1CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164851475 720817042 /nfs/dbraw/zinc/81/70/42/720817042.db2.gz LMKTTXXHUADGAK-DHLKQENFSA-N 1 0 420.557 2.489 20 0 HEADRO COc1c(Cl)nc(C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740165 720828613 /nfs/dbraw/zinc/82/86/13/720828613.db2.gz JFVHZKANMWSFHP-YESZJQIVSA-N 1 0 417.945 2.418 20 0 HEADRO COC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1C ZINC001164741322 720834912 /nfs/dbraw/zinc/83/49/12/720834912.db2.gz FAJJANCIACHVAL-CMKODMSKSA-N 1 0 410.522 2.148 20 0 HEADRO COc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745803 720842650 /nfs/dbraw/zinc/84/26/50/720842650.db2.gz NLHOIJQUNUIALU-ABSDTBQOSA-N 1 0 420.521 2.004 20 0 HEADRO CCCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739527 720847336 /nfs/dbraw/zinc/84/73/36/720847336.db2.gz AYZZDZQDWLHARP-QKNQBKEWSA-N 1 0 423.565 2.192 20 0 HEADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4ncn5C4CC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741855 720848844 /nfs/dbraw/zinc/84/88/44/720848844.db2.gz FTPFCTUMGANBSQ-NZSAHSFTSA-N 1 0 419.537 2.132 20 0 HEADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)c1C ZINC001164855456 720853554 /nfs/dbraw/zinc/85/35/54/720853554.db2.gz MSZIYEBKWRCKRI-RDJZCZTQSA-N 1 0 411.930 2.394 20 0 HEADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4cc(Cl)c(OC)cc43)CC[C@H]2C1 ZINC001164855421 720856513 /nfs/dbraw/zinc/85/65/13/720856513.db2.gz METKVLDGMWOYGB-LIRRHRJNSA-N 1 0 406.914 2.465 20 0 HEADRO CCOC(=O)Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747072 720859798 /nfs/dbraw/zinc/85/97/98/720859798.db2.gz HQRZSWRIPNDNPY-QHAWAJNXSA-N 1 0 424.549 2.158 20 0 HEADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164852364 720860411 /nfs/dbraw/zinc/86/04/11/720860411.db2.gz CMMCCMZRSWYICH-NVXWUHKLSA-N 1 0 411.930 2.394 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)COc3cccc(Cl)n3)CC[C@H]2C1 ZINC001164854825 720863541 /nfs/dbraw/zinc/86/35/41/720863541.db2.gz KYEGAKZJZNMZBV-LSDHHAIUSA-N 1 0 405.873 2.376 20 0 HEADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(C)c(C)c(Cl)n3)CC[C@H]2C1 ZINC001164860807 720863652 /nfs/dbraw/zinc/86/36/52/720863652.db2.gz WREDDCLJQCTBRH-GJZGRUSLSA-N 1 0 404.889 2.465 20 0 HEADRO COCC[N@@H+]1CCO[C@H]2CN(c3cncc(Oc4cccc(OC)c4)n3)CC[C@H]2C1 ZINC001164856810 720866406 /nfs/dbraw/zinc/86/64/06/720866406.db2.gz PNQKVJKTLKKRBC-PXNSSMCTSA-N 1 0 414.506 2.451 20 0 HEADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)CC[C@H]2C1 ZINC001164864979 720883395 /nfs/dbraw/zinc/88/33/95/720883395.db2.gz XORYTVCTZCIGMD-RXVVDRJESA-N 1 0 409.534 2.201 20 0 HEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164748838 720947446 /nfs/dbraw/zinc/94/74/46/720947446.db2.gz DIGRIWCMFMGRHQ-UHFFFAOYSA-N 1 0 400.870 2.125 20 0 HEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc3ccccc3nc1Cl)CC2 ZINC001164750876 720952390 /nfs/dbraw/zinc/95/23/90/720952390.db2.gz OIBGWFHVVLBKSY-UHFFFAOYSA-N 1 0 400.870 2.125 20 0 HEADRO CCOC(=O)c1cnc(OC)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164861559 720952515 /nfs/dbraw/zinc/95/25/15/720952515.db2.gz SXBKAYZIXBQEOA-AWEZNQCLSA-N 1 0 402.499 2.280 20 0 HEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164752100 720953832 /nfs/dbraw/zinc/95/38/32/720953832.db2.gz UUNPRBDBABOTAD-UHFFFAOYSA-N 1 0 400.870 2.125 20 0 HEADRO Cc1cccc2c(Cl)nnc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c12 ZINC001164749327 720953855 /nfs/dbraw/zinc/95/38/55/720953855.db2.gz CEJGJZZUWUDXTK-UHFFFAOYSA-N 1 0 414.897 2.434 20 0 HEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164754779 720964649 /nfs/dbraw/zinc/96/46/49/720964649.db2.gz XWVOJYHBEYXISX-UHFFFAOYSA-N 1 0 418.860 2.264 20 0 HEADRO C[NH+](C)Cc1ccnc(N2CC[C@@H]3OCC[C@@H](C(=O)NCc4ccccn4)[C@@H]3C2)c1 ZINC001164759377 721022540 /nfs/dbraw/zinc/02/25/40/721022540.db2.gz MACLGMBFYRVHGI-HKBOAZHASA-N 1 0 409.534 2.086 20 0 HEADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164867443 721041714 /nfs/dbraw/zinc/04/17/14/721041714.db2.gz JECVLOYTAZZIFM-IAGOWNOFSA-N 1 0 402.882 2.396 20 0 HEADRO COC(=O)c1c(Cl)ccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868638 721053754 /nfs/dbraw/zinc/05/37/54/721053754.db2.gz OXOXYWHHRFEGSD-HZPDHXFCSA-N 1 0 402.882 2.396 20 0 HEADRO COC(=O)c1ccc2cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164869958 721057478 /nfs/dbraw/zinc/05/74/78/721057478.db2.gz USSQXPXTZZXMAJ-VQTJNVASSA-N 1 0 419.485 2.291 20 0 HEADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)C[C@@H]3C2)cn1 ZINC001164770474 721090501 /nfs/dbraw/zinc/09/05/01/721090501.db2.gz QMNYVYDSAYPNCB-IRXDYDNUSA-N 1 0 406.490 2.093 20 0 HEADRO CCOC(=O)c1ccc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762710 721134319 /nfs/dbraw/zinc/13/43/19/721134319.db2.gz DHXQXOZHRDYTGF-RBUKOAKNSA-N 1 0 420.517 2.498 20 0 HEADRO COc1nc(-c2ccccc2)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164768258 721156014 /nfs/dbraw/zinc/15/60/14/721156014.db2.gz OAGUGFKXDFQQSB-MOPGFXCFSA-N 1 0 405.506 2.239 20 0 HEADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164774401 721175259 /nfs/dbraw/zinc/17/52/59/721175259.db2.gz YYJMHWYFBWTOCL-YQHFQFMOSA-N 1 0 420.517 2.441 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3CCCC4)CC2)C1 ZINC001164869384 721266288 /nfs/dbraw/zinc/26/62/88/721266288.db2.gz MVVRHGDJAONXRD-UHFFFAOYSA-N 1 0 421.973 2.016 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4cc(Cl)cnc4n3)CC2)C1 ZINC001164869386 721270524 /nfs/dbraw/zinc/27/05/24/721270524.db2.gz NAJZXIZSHTZHEY-UHFFFAOYSA-N 1 0 417.941 2.290 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3c(Cl)ccnc3Cl)CC2)C1 ZINC001164869814 721271304 /nfs/dbraw/zinc/27/13/04/721271304.db2.gz OLDUIQYMQRMJIM-UHFFFAOYSA-N 1 0 401.338 2.395 20 0 HEADRO O=C(NCc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@H]2OCC[C@@H]21 ZINC001164877431 721304484 /nfs/dbraw/zinc/30/44/84/721304484.db2.gz IRKXJEIVYAPGJB-YPAWHYETSA-N 1 0 421.545 2.230 20 0 HEADRO CCOC(=O)c1ccc(C)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887781 721379107 /nfs/dbraw/zinc/37/91/07/721379107.db2.gz IIYHNQBNVCKLLI-AUSIDOKSSA-N 1 0 416.566 2.332 20 0 HEADRO COC(=O)c1cc(Cl)cnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892917 721385246 /nfs/dbraw/zinc/38/52/46/721385246.db2.gz UQFGGJAFOYYKLE-DYESRHJHSA-N 1 0 422.957 2.287 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164884333 721389000 /nfs/dbraw/zinc/38/90/00/721389000.db2.gz AGIWGSCFYGVNIS-IIBYNOLFSA-N 1 0 405.974 2.384 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nnc(Cl)c5ccncc54)C3)O2)CC1 ZINC001164894056 721389535 /nfs/dbraw/zinc/38/95/35/721389535.db2.gz XAAWTPFTSHPIHM-IIBYNOLFSA-N 1 0 416.957 2.444 20 0 HEADRO Cc1nc2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2[nH]1 ZINC001164889447 721400458 /nfs/dbraw/zinc/40/04/58/721400458.db2.gz QNWKYPOWFVUXED-YWZLYKJASA-N 1 0 419.961 2.080 20 0 HEADRO CCOC(=O)c1cccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891129 721402001 /nfs/dbraw/zinc/40/20/01/721402001.db2.gz VHMCCCYVZQXEJY-AVRDEDQJSA-N 1 0 402.539 2.024 20 0 HEADRO CCOC(=O)c1cc(C)cnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885876 721412104 /nfs/dbraw/zinc/41/21/04/721412104.db2.gz HSKCAHVUVNZVEN-XXBNENTESA-N 1 0 416.566 2.332 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5cc(Cl)cnc54)C3)O2)CC1 ZINC001164891367 721418804 /nfs/dbraw/zinc/41/88/04/721418804.db2.gz VNDSYCVIUSZKNQ-LAUBAEHRSA-N 1 0 416.957 2.444 20 0 HEADRO CCN(CC)c1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164885604 721424351 /nfs/dbraw/zinc/42/43/51/721424351.db2.gz GSTBQLYEDVCQHU-DENIHFKCSA-N 1 0 402.587 2.088 20 0 HEADRO CC(C)n1cnc2cnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc21 ZINC001164899182 721435828 /nfs/dbraw/zinc/43/58/28/721435828.db2.gz YCLHTSNXPMIUOU-AVRDEDQJSA-N 1 0 413.570 2.173 20 0 HEADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(OC)c(OC)n1)CC2 ZINC001164789362 721459617 /nfs/dbraw/zinc/45/96/17/721459617.db2.gz XJGUNJQIHFPCGU-GOSISDBHSA-N 1 0 420.554 2.228 20 0 HEADRO CNC(=O)c1ccnc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1 ZINC001164789864 721463673 /nfs/dbraw/zinc/46/36/73/721463673.db2.gz XZPXHBUYNBFODH-FQEVSTJZSA-N 1 0 416.566 2.175 20 0 HEADRO COC(=O)c1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902076 721512866 /nfs/dbraw/zinc/51/28/66/721512866.db2.gz YYYJAFVAPOQEGO-DZGCQCFKSA-N 1 0 406.845 2.398 20 0 HEADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(CN5CCOCC5)cn4)CC[N@@H+]3C2)c1 ZINC001164900013 721513306 /nfs/dbraw/zinc/51/33/06/721513306.db2.gz NBUNWNPQXREPFE-IFMALSPDSA-N 1 0 412.509 2.395 20 0 HEADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1OC ZINC001164901309 721517066 /nfs/dbraw/zinc/51/70/66/721517066.db2.gz WNZUEKYAHYKOHZ-WBVHZDCISA-N 1 0 401.438 2.358 20 0 HEADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1OC ZINC001164901307 721517356 /nfs/dbraw/zinc/51/73/56/721517356.db2.gz WNZUEKYAHYKOHZ-RDJZCZTQSA-N 1 0 401.438 2.358 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc4c(n2)-c2ccccc2CC4)CC3)CC1 ZINC001164797279 721517603 /nfs/dbraw/zinc/51/76/03/721517603.db2.gz JNZANHOQNUOJHZ-UHFFFAOYSA-N 1 0 415.545 2.206 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4cccc(F)c4)nn2)CC3)CC1 ZINC001164794228 721520066 /nfs/dbraw/zinc/52/00/66/721520066.db2.gz ACYHGNSHUDDXNQ-UHFFFAOYSA-N 1 0 407.497 2.247 20 0 HEADRO CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@@H]2CCCO[C@H]12 ZINC001164795701 721526316 /nfs/dbraw/zinc/52/63/16/721526316.db2.gz RSKITCGAZXEYKB-QRVBRYPASA-N 1 0 414.941 2.039 20 0 HEADRO CCOC(=O)c1c(C)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902850 721535804 /nfs/dbraw/zinc/53/58/04/721535804.db2.gz BMGZCUYJSJLALW-FUHWJXTLSA-N 1 0 400.454 2.443 20 0 HEADRO COCCn1ccc2c1ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164801193 721558868 /nfs/dbraw/zinc/55/88/68/721558868.db2.gz GKJXECDZHFHDHK-HKBOAZHASA-N 1 0 422.533 2.341 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164809910 721559403 /nfs/dbraw/zinc/55/94/03/721559403.db2.gz YAMJWKVVTAGDLV-SJBKTWHCSA-N 1 0 407.518 2.237 20 0 HEADRO COCCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164903588 721564384 /nfs/dbraw/zinc/56/43/84/721564384.db2.gz CVTPYJHQPRWONA-AZUAARDMSA-N 1 0 415.465 2.366 20 0 HEADRO NC(=O)c1c(Cl)ncnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907666 721711625 /nfs/dbraw/zinc/71/16/25/721711625.db2.gz SLLVGSMEISWSNB-SFHVURJKSA-N 1 0 422.867 2.362 20 0 HEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccccc3)nc(N(C)C)n2)CC1 ZINC001165010542 721740345 /nfs/dbraw/zinc/74/03/45/721740345.db2.gz OIGMXYJPPJIFID-UHFFFAOYSA-N 1 0 423.565 2.128 20 0 HEADRO O=C1N(c2cncnc2)CC[C@@]12CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001165023770 721784438 /nfs/dbraw/zinc/78/44/38/721784438.db2.gz UYQWJTKRMASELY-HSZRJFAPSA-N 1 0 422.533 2.370 20 0 HEADRO c1cncc(CN2CCOC[C@@]3(CN(c4ccc(C[NH+]5CCCC5)cn4)CCO3)C2)c1 ZINC001164914719 721793183 /nfs/dbraw/zinc/79/31/83/721793183.db2.gz QWXXGFYDPPVNJE-DEOSSOPVSA-N 1 0 423.561 2.180 20 0 HEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(C(N)=O)n3)C[C@@H]21 ZINC001165020301 721808427 /nfs/dbraw/zinc/80/84/27/721808427.db2.gz FBWKSTLZHYDNQV-UKPHBRMFSA-N 1 0 400.914 2.361 20 0 HEADRO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)nc1Cl ZINC001164928820 721855017 /nfs/dbraw/zinc/85/50/17/721855017.db2.gz OPCVTACIKMJRGG-KBPBESRZSA-N 1 0 402.873 2.281 20 0 HEADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164930317 721859500 /nfs/dbraw/zinc/85/95/00/721859500.db2.gz RHRBKTZDEMCVGY-GJZGRUSLSA-N 1 0 402.873 2.281 20 0 HEADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164931309 721861540 /nfs/dbraw/zinc/86/15/40/721861540.db2.gz UTGKHUZIKWGSDY-KBPBESRZSA-N 1 0 402.873 2.281 20 0 HEADRO Cc1cc2nc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nc(N3CCOCC3)c2s1 ZINC001164921897 721869915 /nfs/dbraw/zinc/86/99/15/721869915.db2.gz DNDLPPRHGIEMHF-ROUUACIJSA-N 1 0 416.595 2.051 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2[C@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164930189 721882356 /nfs/dbraw/zinc/88/23/56/721882356.db2.gz CKPLSMAZUJYKNK-PBFPGSCMSA-N 1 0 407.868 2.150 20 0 HEADRO COc1ccc(CN(C)c2ccnc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164933015 721886760 /nfs/dbraw/zinc/88/67/60/721886760.db2.gz KUZQQMRQXZGLAA-NHCUHLMSSA-N 1 0 410.566 2.336 20 0 HEADRO O=C(CO[C@@H]1CO[C@]2(CCN(c3ncccc3C[NH+]3CCCC3)C2)C1)N1CCCC1 ZINC001164937911 721919502 /nfs/dbraw/zinc/91/95/02/721919502.db2.gz HIZGNHLCSLKCIR-NZQKXSOJSA-N 1 0 414.550 2.054 20 0 HEADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc(Cl)c4C(N)=O)CC3)C2)cc1 ZINC001164940741 721927858 /nfs/dbraw/zinc/92/78/58/721927858.db2.gz ZRBSRQKMROMOJM-UHFFFAOYSA-N 1 0 415.925 2.409 20 0 HEADRO Cc1ccc(N(c2ccc(CN3CCOCC3)cn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164963421 722025357 /nfs/dbraw/zinc/02/53/57/722025357.db2.gz SXTQNXKELURAJY-NFBKMPQASA-N 1 0 424.549 2.061 20 0 HEADRO C[C@@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c21 ZINC001164963786 722056198 /nfs/dbraw/zinc/05/61/98/722056198.db2.gz KTYBWTZZHCEDIC-QGZVFWFLSA-N 1 0 422.533 2.436 20 0 HEADRO C[C@@H]1C(=O)Nc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c21 ZINC001164964214 722057256 /nfs/dbraw/zinc/05/72/56/722057256.db2.gz TVCJQJAQNORNHY-INIZCTEOSA-N 1 0 408.506 2.046 20 0 HEADRO C[NH+]1CCN(c2ccc(N3CCC4(CC[C@H](C(=O)NCC5CC5)C4)CC3)nn2)CC1 ZINC001164972852 722091182 /nfs/dbraw/zinc/09/11/82/722091182.db2.gz IMERKHLZINNDSK-IBGZPJMESA-N 1 0 412.582 2.141 20 0 HEADRO CSc1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983700 722108328 /nfs/dbraw/zinc/10/83/28/722108328.db2.gz ZAIYWSYLLOHCEG-CABCVRRESA-N 1 0 406.943 2.369 20 0 HEADRO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164979755 722109271 /nfs/dbraw/zinc/10/92/71/722109271.db2.gz PSDFNQPBGDYXFG-YLJYHZDGSA-N 1 0 421.501 2.472 20 0 HEADRO COC(=O)c1nc(Cl)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972416 722120780 /nfs/dbraw/zinc/12/07/80/722120780.db2.gz FDYATNLHGFXGGQ-HOTGVXAUSA-N 1 0 417.897 2.039 20 0 HEADRO F[C@H](Oc1cncc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971063 722152882 /nfs/dbraw/zinc/15/28/82/722152882.db2.gz AGQTYJPGPUHWSX-GJYPPUQNSA-N 1 0 407.877 2.380 20 0 HEADRO C[N@H+](Cc1ccc(-n2c([C@H]3COCCN3)nccc2=NCc2ccco2)nc1)C1CC1 ZINC001164986333 722172977 /nfs/dbraw/zinc/17/29/77/722172977.db2.gz JUSCJRVACVLNIT-HXUWFJFHSA-N 1 0 420.517 2.216 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccnc(Cl)n1)CCC2 ZINC001165002133 722250368 /nfs/dbraw/zinc/25/03/68/722250368.db2.gz WYSDBWMBDVGXDR-UHFFFAOYSA-N 1 0 400.861 2.360 20 0 HEADRO CCOC(=O)c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1C ZINC001165001674 722250590 /nfs/dbraw/zinc/25/05/90/722250590.db2.gz RWJYZTNVZNIECW-UHFFFAOYSA-N 1 0 401.511 2.252 20 0 HEADRO Cc1nc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc(N2CCCC2)[nH+]1 ZINC001165003763 722260927 /nfs/dbraw/zinc/26/09/27/722260927.db2.gz KIWHXYKJIVIVBM-QHCPKHFHSA-N 1 0 424.524 2.452 20 0 HEADRO CCc1c(Br)cc(C(=O)NCC[N@H+](C)CCO)cc1Br ZINC001155251112 1076719664 /nfs/dbraw/zinc/71/96/64/1076719664.db2.gz IDOPYXYQJDJZMY-UHFFFAOYSA-N 1 0 408.134 2.428 20 0 HEADRO O=C(OCc1ccccc1)N1CCC(CS(=O)(=O)NCCC[NH+]2CCCC2)CC1 ZINC000769625767 1078479994 /nfs/dbraw/zinc/47/99/94/1078479994.db2.gz LLPAXQQVWCULGZ-UHFFFAOYSA-N 1 0 423.579 2.441 20 0 HEADRO O=S(=O)(Cc1ccc(Cl)nc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000769671364 1078511470 /nfs/dbraw/zinc/51/14/70/1078511470.db2.gz CRNRFDWACWFAER-QZTJIDSGSA-N 1 0 409.939 2.037 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1F ZINC000769758830 1078543595 /nfs/dbraw/zinc/54/35/95/1078543595.db2.gz WKECPFKJIPYAPP-SJLPKXTDSA-N 1 0 411.543 2.413 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)N/C=C1\c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000769726828 1078537941 /nfs/dbraw/zinc/53/79/41/1078537941.db2.gz QBMPJGXDSFMKNJ-DTBMRADHSA-N 1 0 419.529 2.225 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@@H]1CS(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000769755982 1078541950 /nfs/dbraw/zinc/54/19/50/1078541950.db2.gz OQRVBGAPCCVJJU-WOJBJXKFSA-N 1 0 421.563 2.191 20 0 HEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000769759323 1078543544 /nfs/dbraw/zinc/54/35/44/1078543544.db2.gz ZPLBZCUIYHJSJS-LRDDRELGSA-N 1 0 415.353 2.409 20 0 HEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000745618191 1078560974 /nfs/dbraw/zinc/56/09/74/1078560974.db2.gz VLSZYOLGSOOVRS-GOSISDBHSA-N 1 0 411.591 2.055 20 0 HEADRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000769820126 1078561113 /nfs/dbraw/zinc/56/11/13/1078561113.db2.gz XWGHJYPHCBRNSG-ZHALLVOQSA-N 1 0 401.511 2.305 20 0 HEADRO CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000769799164 1078569589 /nfs/dbraw/zinc/56/95/89/1078569589.db2.gz DBARARFMVGATSE-RTWAWAEBSA-N 1 0 416.566 2.244 20 0 HEADRO CCCn1c(CO)nn(CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1=S ZINC000769835282 1078597228 /nfs/dbraw/zinc/59/72/28/1078597228.db2.gz WABVCMOQKFBAQY-UHFFFAOYSA-N 1 0 418.611 2.023 20 0 HEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000766333192 1078597639 /nfs/dbraw/zinc/59/76/39/1078597639.db2.gz HWWZOCDLVZOYQK-SFHVURJKSA-N 1 0 424.586 2.227 20 0 HEADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](CC3CCC3)C(C)C)C2=O)cc1 ZINC000769919518 1078634972 /nfs/dbraw/zinc/63/49/72/1078634972.db2.gz GHLGOQVXOYYKEA-OAQYLSRUSA-N 1 0 402.495 2.004 20 0 HEADRO Cc1cc([C@](C)(O)CNC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c(C)o1 ZINC000745798572 1078651984 /nfs/dbraw/zinc/65/19/84/1078651984.db2.gz HLGFEJXIQZMYCP-JTHBVZDNSA-N 1 0 414.550 2.392 20 0 HEADRO CN1CCC(CNC(=O)NCCCNC(=O)OC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000745802698 1078653440 /nfs/dbraw/zinc/65/34/40/1078653440.db2.gz GJTBZYBLMRXABZ-UHFFFAOYSA-N 1 0 411.591 2.151 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@]3(CC(=O)OC)CCCOC3)c(C)c2)CC1 ZINC000769964103 1078655815 /nfs/dbraw/zinc/65/58/15/1078655815.db2.gz VHBKKOSINBVQOF-JOCHJYFZSA-N 1 0 418.538 2.371 20 0 HEADRO COC1CC[NH+](C(C)(C)CNC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000745809158 1078656382 /nfs/dbraw/zinc/65/63/82/1078656382.db2.gz QPWLHZIQLYFFFD-UHFFFAOYSA-N 1 0 400.564 2.478 20 0 HEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCC[C@H](O)c3ccccc3)c2)C1 ZINC000745810101 1078656431 /nfs/dbraw/zinc/65/64/31/1078656431.db2.gz WQMBJQFURNCSLI-YADHBBJMSA-N 1 0 424.545 2.307 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000769967433 1078657677 /nfs/dbraw/zinc/65/76/77/1078657677.db2.gz BSDCBOQRSAIGTO-SFTDATJTSA-N 1 0 411.550 2.324 20 0 HEADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000769975361 1078670720 /nfs/dbraw/zinc/67/07/20/1078670720.db2.gz SPASNBHXMDQTTI-GUXCAODWSA-N 1 0 423.517 2.359 20 0 HEADRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccc(OCC(N)=O)cc1)CC2 ZINC000769940329 1078665971 /nfs/dbraw/zinc/66/59/71/1078665971.db2.gz GAYCZIPDWLGPRE-UHFFFAOYSA-N 1 0 400.475 2.177 20 0 HEADRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000769979128 1078672233 /nfs/dbraw/zinc/67/22/33/1078672233.db2.gz ZBHBJCOHNSJRFS-UYAOXDASSA-N 1 0 415.538 2.016 20 0 HEADRO O=C(C[N@@H+]1CCCC12CCC2)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000769983194 1078673857 /nfs/dbraw/zinc/67/38/57/1078673857.db2.gz GFCNNACSKBBLCQ-IUXPMGMMSA-N 1 0 403.548 2.150 20 0 HEADRO Cn1nnc(Br)c1COC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC001129392093 1078682474 /nfs/dbraw/zinc/68/24/74/1078682474.db2.gz JJDYYGGGEJLPIM-RMKNXTFCSA-N 1 0 409.284 2.275 20 0 HEADRO Cc1ccc(N2CC[C@@H](NC(=O)NC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000745858862 1078675936 /nfs/dbraw/zinc/67/59/36/1078675936.db2.gz MWWCUQUNWUDXBS-QPPBQGQZSA-N 1 0 422.529 2.037 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000745863168 1078678288 /nfs/dbraw/zinc/67/82/88/1078678288.db2.gz RXQIEWAWGWVNQI-NQIIRXRSSA-N 1 0 406.571 2.080 20 0 HEADRO C[C@@H](CNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)C[NH+]1CCN(C)CC1 ZINC000745862966 1078678852 /nfs/dbraw/zinc/67/88/52/1078678852.db2.gz QRQUNRKUTCLCES-XJKSGUPXSA-N 1 0 403.354 2.210 20 0 HEADRO CC(C)N(CC[NH+](C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000770008378 1078683981 /nfs/dbraw/zinc/68/39/81/1078683981.db2.gz PLHVFWLWOVIZMK-LJQANCHMSA-N 1 0 412.893 2.045 20 0 HEADRO C[C@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)OC1CCCC1 ZINC000770031369 1078696485 /nfs/dbraw/zinc/69/64/85/1078696485.db2.gz SOBNGJQDTXMSAO-INIZCTEOSA-N 1 0 401.507 2.254 20 0 HEADRO C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000770046420 1078703516 /nfs/dbraw/zinc/70/35/16/1078703516.db2.gz GMSGGAUOMJWNPI-VHKYSDTDSA-N 1 0 411.481 2.053 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000745946289 1078705074 /nfs/dbraw/zinc/70/50/74/1078705074.db2.gz RTUMXVOMYOPCNQ-CRAIPNDOSA-N 1 0 414.472 2.419 20 0 HEADRO C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000770050422 1078705364 /nfs/dbraw/zinc/70/53/64/1078705364.db2.gz REYPAQKPFIXDFB-IFXJQAMLSA-N 1 0 407.511 2.497 20 0 HEADRO C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@H](c1ccccc1)[NH+](C)C ZINC000770053327 1078706671 /nfs/dbraw/zinc/70/66/71/1078706671.db2.gz ZHBZHZHENTYAOU-FBOFTVOISA-N 1 0 420.513 2.188 20 0 HEADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745944128 1078709182 /nfs/dbraw/zinc/70/91/82/1078709182.db2.gz PGRKNRMSCAOCCB-ZWKOTPCHSA-N 1 0 407.511 2.326 20 0 HEADRO C[NH+](C)[C@H]1Cc2ccccc2N(CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)C1 ZINC000766337918 1078725309 /nfs/dbraw/zinc/72/53/09/1078725309.db2.gz GURKOTZMACEKPC-RDPSFJRHSA-N 1 0 404.514 2.416 20 0 HEADRO C[C@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)Cc2ccccc2C(=O)O1 ZINC000746011877 1078732003 /nfs/dbraw/zinc/73/20/03/1078732003.db2.gz QUJYOCUJQVZJKF-XMMPIXPASA-N 1 0 408.498 2.431 20 0 HEADRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C[C@@H](C)O1 ZINC000770143821 1078745737 /nfs/dbraw/zinc/74/57/37/1078745737.db2.gz CCZXLUPWKBLOAW-QWFCFKBJSA-N 1 0 403.523 2.261 20 0 HEADRO C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)C[C@@H](C)O1 ZINC000770143819 1078745749 /nfs/dbraw/zinc/74/57/49/1078745749.db2.gz CCZXLUPWKBLOAW-GGPKGHCWSA-N 1 0 403.523 2.261 20 0 HEADRO O=C(COC(=O)Cc1cccc(OCC(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000770177740 1078748796 /nfs/dbraw/zinc/74/87/96/1078748796.db2.gz RSTSODRVQIPJCC-UHFFFAOYSA-N 1 0 414.424 2.456 20 0 HEADRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccc(N3CCOC[C@@H]3C)cc1)CC2 ZINC000746043325 1078752259 /nfs/dbraw/zinc/75/22/59/1078752259.db2.gz GKZQSXIBXWNWKB-WMQCIHAUSA-N 1 0 414.550 2.324 20 0 HEADRO CO[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)C(C)(C)C ZINC000746048633 1078757670 /nfs/dbraw/zinc/75/76/70/1078757670.db2.gz YPAPZICOMHNDLF-LJQANCHMSA-N 1 0 422.545 2.472 20 0 HEADRO CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746054772 1078763201 /nfs/dbraw/zinc/76/32/01/1078763201.db2.gz JKIIXKFAJGDCDM-SFHVURJKSA-N 1 0 402.520 2.462 20 0 HEADRO COc1cc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)ccn1 ZINC001170013361 1078763646 /nfs/dbraw/zinc/76/36/46/1078763646.db2.gz FZLHNEJJMZQSTR-HOTGVXAUSA-N 1 0 422.551 2.091 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccc(I)o1 ZINC000770173660 1078769072 /nfs/dbraw/zinc/76/90/72/1078769072.db2.gz IDCYWJYPXSYUCX-BPJJOFIESA-N 1 0 417.291 2.040 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000770175375 1078770569 /nfs/dbraw/zinc/77/05/69/1078770569.db2.gz XGDJCAPFVLWJOD-TZIWHRDSSA-N 1 0 416.566 2.177 20 0 HEADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)CC1=O ZINC000746107870 1078788529 /nfs/dbraw/zinc/78/85/29/1078788529.db2.gz BLAPMAHPMHPQFC-SFHVURJKSA-N 1 0 424.549 2.410 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)NC3CN(C(=O)OC)C3)cc2Cl)CC1 ZINC000770242928 1078782414 /nfs/dbraw/zinc/78/24/14/1078782414.db2.gz WFBSWZZDUSSTHF-UHFFFAOYSA-N 1 0 409.918 2.444 20 0 HEADRO Cc1ccc2[nH]cc(CCC(=O)OCC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)c2c1 ZINC000746089632 1078782912 /nfs/dbraw/zinc/78/29/12/1078782912.db2.gz VHJKRBNNOYLMGR-IBGZPJMESA-N 1 0 415.534 2.425 20 0 HEADRO CCOC(=O)[C@H]1CSCCN1C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000746116237 1078794782 /nfs/dbraw/zinc/79/47/82/1078794782.db2.gz DFFKOKKVIPWSFF-LJQANCHMSA-N 1 0 405.564 2.014 20 0 HEADRO CC(C)(C)OC(=O)N1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000746148514 1078806523 /nfs/dbraw/zinc/80/65/23/1078806523.db2.gz BMRCFCUOCFWDEH-UHFFFAOYSA-N 1 0 417.554 2.063 20 0 HEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000770285194 1078808336 /nfs/dbraw/zinc/80/83/36/1078808336.db2.gz DCESUNCQWIJNFQ-OWCLPIDISA-N 1 0 400.976 2.263 20 0 HEADRO C[N@H+](CCNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C1CCCCC1 ZINC000746171118 1078810063 /nfs/dbraw/zinc/81/00/63/1078810063.db2.gz RKJQKJNAZYQDHV-UHFFFAOYSA-N 1 0 424.498 2.177 20 0 HEADRO CC[NH+]1CCN(CCNC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000746160641 1078812580 /nfs/dbraw/zinc/81/25/80/1078812580.db2.gz DZPHYLHEHGASQJ-IBGZPJMESA-N 1 0 404.555 2.396 20 0 HEADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H](CNC(=O)OC(C)(C)C)C3)c2)CC1 ZINC000746194258 1078815146 /nfs/dbraw/zinc/81/51/46/1078815146.db2.gz LVKYFCPXIMDDAS-LJQANCHMSA-N 1 0 416.566 2.421 20 0 HEADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000770333934 1078815869 /nfs/dbraw/zinc/81/58/69/1078815869.db2.gz APTKYNOGZIUYBK-YLJYHZDGSA-N 1 0 403.527 2.131 20 0 HEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)/C=C/c1ccccc1Br ZINC000770291950 1078817529 /nfs/dbraw/zinc/81/75/29/1078817529.db2.gz HYKBXJHNROZSFF-NHXNDTTKSA-N 1 0 416.385 2.365 20 0 HEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000770299564 1078822156 /nfs/dbraw/zinc/82/21/56/1078822156.db2.gz KRKNEAASPYIZAA-UHFFFAOYSA-N 1 0 401.960 2.237 20 0 HEADRO C[C@@](O)(C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 ZINC000746219642 1078824861 /nfs/dbraw/zinc/82/48/61/1078824861.db2.gz LYUBBPPXWWNSAG-CTNGQTDRSA-N 1 0 422.447 2.448 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746238264 1078829028 /nfs/dbraw/zinc/82/90/28/1078829028.db2.gz XVXULAAJXXJBMB-PGRDOPGGSA-N 1 0 403.523 2.139 20 0 HEADRO O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)OCC[NH+]1CCCCC1 ZINC000770367109 1078831876 /nfs/dbraw/zinc/83/18/76/1078831876.db2.gz GVRVKFYXBPRTIR-UHFFFAOYSA-N 1 0 409.552 2.448 20 0 HEADRO O=C(/C=C/c1ccccc1)N1CCC(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000770367266 1078832255 /nfs/dbraw/zinc/83/22/55/1078832255.db2.gz JJMQUZSQNQXXDH-NELJVSICSA-N 1 0 413.562 2.292 20 0 HEADRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770384411 1078835661 /nfs/dbraw/zinc/83/56/61/1078835661.db2.gz RMYNLBYRJPEKGF-PKOBYXMFSA-N 1 0 419.570 2.456 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000770338660 1078836450 /nfs/dbraw/zinc/83/64/50/1078836450.db2.gz DETVEQYKSZGJGJ-LJQANCHMSA-N 1 0 417.554 2.037 20 0 HEADRO O=Cc1ccc(OCCn2cc(C(=O)OCC[NH+]3CCCCC3)nn2)c(Cl)c1 ZINC000770406438 1078844184 /nfs/dbraw/zinc/84/41/84/1078844184.db2.gz TXXZNONFELDGSA-UHFFFAOYSA-N 1 0 406.870 2.466 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000746292227 1078844237 /nfs/dbraw/zinc/84/42/37/1078844237.db2.gz AXVXUSHKBAQTNE-KUHUBIRLSA-N 1 0 409.527 2.165 20 0 HEADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC000746298285 1078846316 /nfs/dbraw/zinc/84/63/16/1078846316.db2.gz OEPMYBIGDYWAGF-UHFFFAOYSA-N 1 0 419.547 2.188 20 0 HEADRO CC[NH+](CC)CCSCC(=O)N1CCn2c(CCc3ccccc3)nnc2C1 ZINC000746300049 1078846378 /nfs/dbraw/zinc/84/63/78/1078846378.db2.gz UQBUPBVNFWZYOS-UHFFFAOYSA-N 1 0 401.580 2.481 20 0 HEADRO CCC[NH+]1CCC(NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 ZINC000749275035 1078847472 /nfs/dbraw/zinc/84/74/72/1078847472.db2.gz QWRDJXLMNPIDDN-UHFFFAOYSA-N 1 0 403.342 2.457 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 ZINC000746304776 1078848945 /nfs/dbraw/zinc/84/89/45/1078848945.db2.gz KFWGMEUJIRFOGN-UHFFFAOYSA-N 1 0 424.498 2.034 20 0 HEADRO C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000746311371 1078851424 /nfs/dbraw/zinc/85/14/24/1078851424.db2.gz OSYFKOJLSRHMFG-SFTDATJTSA-N 1 0 406.546 2.449 20 0 HEADRO C[C@H](c1ccccc1)N1C(=O)C(=O)N(CN2C[C@@H]([NH+](C)C)Cc3ccccc32)C1=O ZINC000766340923 1078853452 /nfs/dbraw/zinc/85/34/52/1078853452.db2.gz SOZIXPPBJMQFKS-APWZRJJASA-N 1 0 406.486 2.489 20 0 HEADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1 ZINC000770443887 1078856185 /nfs/dbraw/zinc/85/61/85/1078856185.db2.gz MVEDRYIRIVQIHT-QGZVFWFLSA-N 1 0 412.519 2.433 20 0 HEADRO CN1CC[NH+](CCCCNC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000746330190 1078861080 /nfs/dbraw/zinc/86/10/80/1078861080.db2.gz GQKXSKZHUBCSFN-SFTDATJTSA-N 1 0 406.546 2.451 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770511927 1078872045 /nfs/dbraw/zinc/87/20/45/1078872045.db2.gz FVPWLSLAMJGJNT-UXHICEINSA-N 1 0 415.534 2.262 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000746348883 1078868712 /nfs/dbraw/zinc/86/87/12/1078868712.db2.gz VIGKRYQDVRRRFI-OAHLLOKOSA-N 1 0 413.971 2.394 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000770534715 1078888084 /nfs/dbraw/zinc/88/80/84/1078888084.db2.gz JQMMPGFHIXDLEB-FUHWJXTLSA-N 1 0 411.591 2.005 20 0 HEADRO CCOC(=O)Nc1ccc2c(CN3CC[NH+]([C@@H]4CCOC4)CC3)cc(=O)oc2c1 ZINC000770523950 1078883790 /nfs/dbraw/zinc/88/37/90/1078883790.db2.gz JYTUORTUPSQVFR-QGZVFWFLSA-N 1 0 401.463 2.268 20 0 HEADRO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1=O ZINC000746383130 1078886341 /nfs/dbraw/zinc/88/63/41/1078886341.db2.gz RETLOXFEWJMDDO-FDDCHVKYSA-N 1 0 414.550 2.474 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000770590680 1078899517 /nfs/dbraw/zinc/89/95/17/1078899517.db2.gz OEFANWSNOUSCSX-WMLDXEAASA-N 1 0 402.461 2.064 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COc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(N4CCOCC4=O)c3)CC2=O)cc1 ZINC001168913440 1079074347 /nfs/dbraw/zinc/07/43/47/1079074347.db2.gz GIOAQAZPERWGDU-FQEVSTJZSA-N 1 0 423.513 2.339 20 0 HEADRO COc1ccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc1S(=O)(=O)NC(C)(C)C ZINC001168932470 1079078088 /nfs/dbraw/zinc/07/80/88/1079078088.db2.gz UVDPDEJBQSJFNZ-OYRHEFFESA-N 1 0 423.579 2.186 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3C[C@H]4CCN(c5ncccn5)C[C@H]4C3)CC2=O)cc1 ZINC001168935355 1079078984 /nfs/dbraw/zinc/07/89/84/1079078984.db2.gz MUWUKTBYSHLTJS-QHAWAJNXSA-N 1 0 421.545 2.435 20 0 HEADRO Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2-n2cc(CC[NH3+])cn2)cc1 ZINC001168946788 1079083241 /nfs/dbraw/zinc/08/32/41/1079083241.db2.gz NLVRAFSOVPJDGO-UHFFFAOYSA-N 1 0 422.514 2.450 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCC(NC(=O)c4ccccn4)CC3)CC2=O)cc1 ZINC001168953648 1079085695 /nfs/dbraw/zinc/08/56/95/1079085695.db2.gz KLHNWUWPHCJCBQ-HXUWFJFHSA-N 1 0 422.529 2.476 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CCN(Cc4ccccc4)[C@@H](CO)C3)CC2=O)cc1 ZINC001168927897 1079086539 /nfs/dbraw/zinc/08/65/39/1079086539.db2.gz VEGQEILNVQKMHW-DHIUTWEWSA-N 1 0 423.557 2.365 20 0 HEADRO COc1ccccc1-n1c(C)nnc1SCC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001168929716 1079088109 /nfs/dbraw/zinc/08/81/09/1079088109.db2.gz KDLUUOQKFDQQNL-NHCUHLMSSA-N 1 0 415.563 2.477 20 0 HEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(Br)cc3-n3cncn3)C[C@@]2(C)C1 ZINC001168930576 1079088591 /nfs/dbraw/zinc/08/85/91/1079088591.db2.gz OUACIWFAXQDRQR-HDICACEKSA-N 1 0 404.312 2.444 20 0 HEADRO COC(=O)c1cc(I)c(Cl)cc1-n1nc(CC[NH3+])nc1C ZINC001168985394 1079089904 /nfs/dbraw/zinc/08/99/04/1079089904.db2.gz BSXQWRILFLSBEQ-UHFFFAOYSA-N 1 0 420.638 2.122 20 0 HEADRO CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[N@@H+]3CC[C@@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC001169003437 1079097296 /nfs/dbraw/zinc/09/72/96/1079097296.db2.gz HPVBIJKXCMXDEY-MSOLQXFVSA-N 1 0 422.570 2.329 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cn(-c2ccccc2Br)nn1 ZINC000771041767 1079099867 /nfs/dbraw/zinc/09/98/67/1079099867.db2.gz YFMMLJWTMUCNFF-AWEZNQCLSA-N 1 0 420.311 2.013 20 0 HEADRO COc1ccccc1-c1cc(C(F)(F)N(C)S(=O)(=O)CC[NH3+])c(Cl)nn1 ZINC001156240377 1079101378 /nfs/dbraw/zinc/10/13/78/1079101378.db2.gz NUESUJIDRWDWAF-UHFFFAOYSA-N 1 0 406.842 2.075 20 0 HEADRO Cc1cnc(C[NH3+])n1-c1nc(Cl)nc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001169028195 1079102300 /nfs/dbraw/zinc/10/23/00/1079102300.db2.gz OHUMZHZPWYFMBI-UHFFFAOYSA-N 1 0 402.867 2.275 20 0 HEADRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000771024285 1079107889 /nfs/dbraw/zinc/10/78/89/1079107889.db2.gz DTNSGUACUPLXNK-DOMZBBRYSA-N 1 0 409.474 2.075 20 0 HEADRO Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3CCC(O)(C[NH+](C)C)CC3)C2)c1 ZINC001169042275 1079108728 /nfs/dbraw/zinc/10/87/28/1079108728.db2.gz YMRBIOQICCSZLV-GOSISDBHSA-N 1 0 402.539 2.154 20 0 HEADRO Cc1cc(I)cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)c1 ZINC001169042083 1079108883 /nfs/dbraw/zinc/10/88/83/1079108883.db2.gz XIWNZHFAEFARMY-UHFFFAOYSA-N 1 0 402.276 2.128 20 0 HEADRO Cc1nc(NC2CC2)sc1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000771029116 1079109818 /nfs/dbraw/zinc/10/98/18/1079109818.db2.gz NWSKJQPMNDQBPS-UHFFFAOYSA-N 1 0 407.584 2.382 20 0 HEADRO COc1ccc(NC(=O)Cc2noc([C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000771059308 1079119570 /nfs/dbraw/zinc/11/95/70/1079119570.db2.gz KLLBXGVFXJRHFS-JOCHJYFZSA-N 1 0 408.458 2.353 20 0 HEADRO Cc1cn([C@H]2C[C@H]([NH2+][C@H](Cc3ccccc3)CC(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001169068419 1079122273 /nfs/dbraw/zinc/12/22/73/1079122273.db2.gz OCVFOAJGOSXIJV-VNTMZGSJSA-N 1 0 401.507 2.153 20 0 HEADRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(=O)OC)cc2)C1 ZINC001169072630 1079124083 /nfs/dbraw/zinc/12/40/83/1079124083.db2.gz LSZMILFEUVPIMS-LZLYRXPVSA-N 1 0 420.506 2.079 20 0 HEADRO C[Si](C)(C)c1c(F)c(F)c(Br)cc1-n1cncc1C[C@@H]([NH3+])CO ZINC001169072404 1079124253 /nfs/dbraw/zinc/12/42/53/1079124253.db2.gz NLOJARDXPRASQA-SECBINFHSA-N 1 0 404.331 2.320 20 0 HEADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cc(=O)[nH]c(C3CCC3)n2)[C@H](c2cnn(C)c2)C1 ZINC001169084514 1079133653 /nfs/dbraw/zinc/13/36/53/1079133653.db2.gz NGWQNICYDBSCHM-MOPGFXCFSA-N 1 0 412.538 2.314 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC[C@@H]21 ZINC000766586012 1079135853 /nfs/dbraw/zinc/13/58/53/1079135853.db2.gz ZLZMLPJURUGVJY-YOEHRIQHSA-N 1 0 418.925 2.348 20 0 HEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1N1CCSCC1 ZINC000766586123 1079136155 /nfs/dbraw/zinc/13/61/55/1079136155.db2.gz SVIQFWIHIHXXOH-XLIONFOSSA-N 1 0 416.591 2.429 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)c(F)cc1F ZINC000766595733 1079143120 /nfs/dbraw/zinc/14/31/20/1079143120.db2.gz QAGAXXOXJFEHQW-UHFFFAOYSA-N 1 0 410.465 2.442 20 0 HEADRO CC(C)C[NH+]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771094511 1079148743 /nfs/dbraw/zinc/14/87/43/1079148743.db2.gz KWSNJKBCVVNHND-FQEVSTJZSA-N 1 0 424.904 2.046 20 0 HEADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H](C)C3CCCCCC3)C2=O)cc1 ZINC001169137163 1079154749 /nfs/dbraw/zinc/15/47/49/1079154749.db2.gz QLUUBCNHJRIGOS-IVZQSRNASA-N 1 0 416.522 2.442 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3C[C@H](OC)C3(CC)CC)cc2)CC1 ZINC000766605321 1079155222 /nfs/dbraw/zinc/15/52/22/1079155222.db2.gz UMFIMEAOSSQEMJ-PMACEKPBSA-N 1 0 416.566 2.477 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C1)C2 ZINC001169138206 1079155267 /nfs/dbraw/zinc/15/52/67/1079155267.db2.gz GLDAKABHROOWJK-AHJNKEMKSA-N 1 0 403.592 2.289 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C1)C2 ZINC001169138209 1079155763 /nfs/dbraw/zinc/15/57/63/1079155763.db2.gz GLDAKABHROOWJK-MNVIUDHYSA-N 1 0 403.592 2.289 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1 ZINC000771110731 1079157201 /nfs/dbraw/zinc/15/72/01/1079157201.db2.gz CYFPMEJZKUTOIT-UHFFFAOYSA-N 1 0 411.550 2.434 20 0 HEADRO C[C@@H]1CCC[N@H+](CCNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771115933 1079160836 /nfs/dbraw/zinc/16/08/36/1079160836.db2.gz SBSMREYHNSVYHV-ZUOKHONESA-N 1 0 424.904 2.094 20 0 HEADRO CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)cc1 ZINC001169150736 1079166797 /nfs/dbraw/zinc/16/67/97/1079166797.db2.gz UUOVXWNFDKJHKJ-HXUWFJFHSA-N 1 0 415.559 2.226 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc(F)cc(F)c1 ZINC001169160800 1079170004 /nfs/dbraw/zinc/17/00/04/1079170004.db2.gz LKHYSMBESVYZOD-ZDUSSCGKSA-N 1 0 405.449 2.061 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc(F)cc1F ZINC001169160498 1079170022 /nfs/dbraw/zinc/17/00/22/1079170022.db2.gz GXSAYTFGJLZDDW-CYBMUJFWSA-N 1 0 405.449 2.061 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1c(F)ccc(F)c1F ZINC001169162389 1079171038 /nfs/dbraw/zinc/17/10/38/1079171038.db2.gz LTWXDYQNURLCCR-LBPRGKRZSA-N 1 0 423.439 2.200 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1ccccc1Cl ZINC001169162223 1079171124 /nfs/dbraw/zinc/17/11/24/1079171124.db2.gz KMBRMAZKUXTEAX-OAHLLOKOSA-N 1 0 417.941 2.478 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1ccc2ccc(C[NH3+])cc21 ZINC001169166256 1079174101 /nfs/dbraw/zinc/17/41/01/1079174101.db2.gz AIGFPLYBTWCIQW-OAHLLOKOSA-N 1 0 408.506 2.279 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc(Cl)s1 ZINC001169166822 1079174814 /nfs/dbraw/zinc/17/48/14/1079174814.db2.gz CJHZFHHCCDPJEV-LBPRGKRZSA-N 1 0 409.943 2.497 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC001169166751 1079174886 /nfs/dbraw/zinc/17/48/86/1079174886.db2.gz CDMYBNIAHRTCAC-RLHPCVIISA-N 1 0 413.566 2.407 20 0 HEADRO Cc1ncccc1[C@@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC001169191658 1079179713 /nfs/dbraw/zinc/17/97/13/1079179713.db2.gz MUBVGFOUERDOBW-BEFAXECRSA-N 1 0 424.549 2.437 20 0 HEADRO C[C@@H]([NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)c1cncnc1 ZINC001170022261 1079177713 /nfs/dbraw/zinc/17/77/13/1079177713.db2.gz PDBVFFNQQBXGFY-KBMXLJTQSA-N 1 0 407.540 2.038 20 0 HEADRO CC(C)CN1N=C(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)CCC1=O ZINC000766616187 1079181495 /nfs/dbraw/zinc/18/14/95/1079181495.db2.gz OJLQAINKKSFDOB-SFTDATJTSA-N 1 0 419.614 2.416 20 0 HEADRO CC(C)CN1N=C(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)CCC1=O ZINC000766616185 1079181595 /nfs/dbraw/zinc/18/15/95/1079181595.db2.gz OJLQAINKKSFDOB-NHCUHLMSSA-N 1 0 419.614 2.416 20 0 HEADRO COCCOC(=O)Nc1cccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000771128040 1079183024 /nfs/dbraw/zinc/18/30/24/1079183024.db2.gz NYHQDJVXXSGMIF-MRXNPFEDSA-N 1 0 407.515 2.029 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001169203116 1079184369 /nfs/dbraw/zinc/18/43/69/1079184369.db2.gz STQIBCXMYAJCBX-MSOLQXFVSA-N 1 0 424.549 2.267 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccccc2CO)C[C@H]1C(=O)N1CCSC1 ZINC001170022477 1079189973 /nfs/dbraw/zinc/18/99/73/1079189973.db2.gz QDCLTWDHOJPANB-MSOLQXFVSA-N 1 0 421.563 2.179 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001169173599 1079188699 /nfs/dbraw/zinc/18/86/99/1079188699.db2.gz GBVDCBMAKJIOBE-HNNXBMFYSA-N 1 0 419.570 2.318 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001169175261 1079189185 /nfs/dbraw/zinc/18/91/85/1079189185.db2.gz LJMDJRORPHPMEU-MAUKXSAKSA-N 1 0 410.522 2.128 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCc2c1cccc2F ZINC001169177212 1079190660 /nfs/dbraw/zinc/19/06/60/1079190660.db2.gz QHCJYMSVNKCUMC-KBXCAEBGSA-N 1 0 413.497 2.409 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001169178131 1079191848 /nfs/dbraw/zinc/19/18/48/1079191848.db2.gz WGGCPUBGDLVNDM-MAUKXSAKSA-N 1 0 410.522 2.128 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1ccc2cccc(C[NH3+])c21 ZINC001169181551 1079193914 /nfs/dbraw/zinc/19/39/14/1079193914.db2.gz REJHYBFECFSQTJ-OAHLLOKOSA-N 1 0 408.506 2.279 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001169182301 1079193931 /nfs/dbraw/zinc/19/39/31/1079193931.db2.gz XOWAUYCSQWBCTF-CRAIPNDOSA-N 1 0 410.522 2.128 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NCC[NH+]1CCCCC1)C(C)C ZINC000771193624 1079195717 /nfs/dbraw/zinc/19/57/17/1079195717.db2.gz HCVUJONBILOAAG-UHFFFAOYSA-N 1 0 402.539 2.488 20 0 HEADRO CCOc1ccc(-c2nnn(CN3CCN(C4CC[NH+](C(C)C)CC4)CC3)n2)cc1 ZINC000771174703 1079209008 /nfs/dbraw/zinc/20/90/08/1079209008.db2.gz MBINIRKWIYMRFO-UHFFFAOYSA-N 1 0 413.570 2.187 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC[NH2+]2)c1 ZINC001169250625 1079211919 /nfs/dbraw/zinc/21/19/19/1079211919.db2.gz KWGKYUAXNMHTPX-KRWDZBQOSA-N 1 0 400.475 2.378 20 0 HEADRO CCN1CCC([NH+]2CCC3(C[C@H](COC)N(C(=O)c4cccn4C)C3)CC2)CC1 ZINC001169253287 1079212677 /nfs/dbraw/zinc/21/26/77/1079212677.db2.gz BEDJCIUSRASFHL-HXUWFJFHSA-N 1 0 402.583 2.453 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000766641926 1079212770 /nfs/dbraw/zinc/21/27/70/1079212770.db2.gz CVVAITHOWLVZIQ-HXUWFJFHSA-N 1 0 424.549 2.320 20 0 HEADRO CCN1CCC([NH+]2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)CC1 ZINC001169254052 1079213114 /nfs/dbraw/zinc/21/31/14/1079213114.db2.gz PAIJAVJTUCNGJA-UHFFFAOYSA-N 1 0 405.612 2.044 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(c3ncnc4c3c(Br)nn4C)CC2)CC1 ZINC000771189479 1079214850 /nfs/dbraw/zinc/21/48/50/1079214850.db2.gz VDPONCDBVAKYQS-UHFFFAOYSA-N 1 0 422.375 2.121 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3[C@H]2OCCN3C(=O)OC(C)(C)C)CO1 ZINC001169324233 1079226511 /nfs/dbraw/zinc/22/65/11/1079226511.db2.gz KXJFEPHXQKFLHF-JCECYMMASA-N 1 0 412.527 2.101 20 0 HEADRO Cn1cc(N2C[C@@H]3C[N@@H+](C4CCC(OC(=O)c5ccccc5)CC4)C[C@@H]3C2=O)cn1 ZINC001169302188 1079230111 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ZINC000741327703 1076478139 /nfs/dbraw/zinc/47/81/39/1076478139.db2.gz BHGVOPQJMZZGRP-UHFFFAOYSA-N 1 0 416.518 2.244 20 0 HEADRO O=C(COC(=O)C1CC[NH+](Cc2ccccc2)CC1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000741331634 1076479466 /nfs/dbraw/zinc/47/94/66/1076479466.db2.gz VBTVJBOJWMVNNK-KRWDZBQOSA-N 1 0 414.462 2.315 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000741336689 1076481480 /nfs/dbraw/zinc/48/14/80/1076481480.db2.gz BUVBOLPFZGPODY-LPHOPBHVSA-N 1 0 424.563 2.109 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000741336967 1076481535 /nfs/dbraw/zinc/48/15/35/1076481535.db2.gz ZOBJNUIWKNPDHB-KRWDZBQOSA-N 1 0 403.523 2.155 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCCN3C(=O)c4ccccc4C3=O)cc2)CC1 ZINC000741344437 1076488617 /nfs/dbraw/zinc/48/86/17/1076488617.db2.gz UZLFFTKFVPLFCK-UHFFFAOYSA-N 1 0 407.470 2.282 20 0 HEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3ccncc3F)CC2)cc1 ZINC000741379724 1076504668 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BIKDYHRQCUCUNC-PBHICJAKSA-N 1 0 407.536 2.042 20 0 HEADRO C[C@H]1C[C@H](N(C)C(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC[N@@H+]1C ZINC000741592481 1076548808 /nfs/dbraw/zinc/54/88/08/1076548808.db2.gz ZYXDQXYABXRYEY-DOTOQJQBSA-N 1 0 408.506 2.395 20 0 HEADRO C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000741618956 1076557763 /nfs/dbraw/zinc/55/77/63/1076557763.db2.gz USEQBEAGARODFW-CYBMUJFWSA-N 1 0 418.494 2.079 20 0 HEADRO CN(C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000741626530 1076570509 /nfs/dbraw/zinc/57/05/09/1076570509.db2.gz YRNLUHLUVSKGDM-GRFAERAESA-N 1 0 405.564 2.252 20 0 HEADRO CN(C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000741719676 1076592489 /nfs/dbraw/zinc/59/24/89/1076592489.db2.gz NOSJWFVQPZJBNH-QGZVFWFLSA-N 1 0 412.515 2.414 20 0 HEADRO Cc1ccc(N(C(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000741753801 1076620345 /nfs/dbraw/zinc/62/03/45/1076620345.db2.gz BVPQYRWDYBGDIV-NHCUHLMSSA-N 1 0 417.575 2.117 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000741781977 1076625152 /nfs/dbraw/zinc/62/51/52/1076625152.db2.gz FGRKDHKTEFADED-SFHVURJKSA-N 1 0 408.587 2.310 20 0 HEADRO CCN1CCN(C(=O)CC2CC[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)CC1 ZINC000741783480 1076625791 /nfs/dbraw/zinc/62/57/91/1076625791.db2.gz AXRXSPSBAFHZQY-OAQYLSRUSA-N 1 0 414.550 2.278 20 0 HEADRO COCCCOC1CC[NH+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000741791690 1076630491 /nfs/dbraw/zinc/63/04/91/1076630491.db2.gz XRWDVVRLDPAUES-UHFFFAOYSA-N 1 0 405.539 2.369 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)cc1 ZINC000741982784 1076702141 /nfs/dbraw/zinc/70/21/41/1076702141.db2.gz IWDWJCAXALBAQY-UHFFFAOYSA-N 1 0 406.486 2.377 20 0 HEADRO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742106894 1076743671 /nfs/dbraw/zinc/74/36/71/1076743671.db2.gz AQQJONGQNSBUMB-QRVBRYPASA-N 1 0 419.522 2.431 20 0 HEADRO O=C(N/C(=C\c1ccco1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000742105406 1076743687 /nfs/dbraw/zinc/74/36/87/1076743687.db2.gz WWAYHXLBIPVIHI-AFDUHFSSSA-N 1 0 409.486 2.231 20 0 HEADRO COc1ccc2c(C)c(CCC(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)c(=O)oc2c1 ZINC000742107642 1076744235 /nfs/dbraw/zinc/74/42/35/1076744235.db2.gz QUPQEVHQSZCFOT-KRWDZBQOSA-N 1 0 414.502 2.223 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)CC1 ZINC000742098537 1076749496 /nfs/dbraw/zinc/74/94/96/1076749496.db2.gz SLIJVWOVBRYAMG-JOCHJYFZSA-N 1 0 400.523 2.000 20 0 HEADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)C2=O)cc1 ZINC000742136163 1076752079 /nfs/dbraw/zinc/75/20/79/1076752079.db2.gz QNSDKCMTBLNNSP-PGRDOPGGSA-N 1 0 400.523 2.095 20 0 HEADRO C[NH+]1CCC2(CCN2C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 ZINC000742187792 1076776711 /nfs/dbraw/zinc/77/67/11/1076776711.db2.gz SLWJCZYTKJVCTL-UHFFFAOYSA-N 1 0 404.555 2.210 20 0 HEADRO C[C@H]1CN=C(N2CCN(C(=O)CCC[NH+]3CCN(c4ccccc4)CC3)CC2)S1 ZINC000742192189 1076782472 /nfs/dbraw/zinc/78/24/72/1076782472.db2.gz XEAOJVDQWKXPTN-IBGZPJMESA-N 1 0 415.607 2.224 20 0 HEADRO CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000742245057 1076804702 /nfs/dbraw/zinc/80/47/02/1076804702.db2.gz DKIWTJGHUMINTO-UHFFFAOYSA-N 1 0 416.566 2.431 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742303854 1076812782 /nfs/dbraw/zinc/81/27/82/1076812782.db2.gz BLDKGKGIQAXJCX-YZGWKJHDSA-N 1 0 423.579 2.389 20 0 HEADRO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000742308068 1076813989 /nfs/dbraw/zinc/81/39/89/1076813989.db2.gz CNRAMILPZPMSPY-SFHVURJKSA-N 1 0 409.552 2.143 20 0 HEADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000742286121 1076816143 /nfs/dbraw/zinc/81/61/43/1076816143.db2.gz AEGCEOYRXRMKML-UHFFFAOYSA-N 1 0 419.341 2.246 20 0 HEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293462 1076819851 /nfs/dbraw/zinc/81/98/51/1076819851.db2.gz IDDNMTLYGVIJQO-RTBURBONSA-N 1 0 409.552 2.049 20 0 HEADRO COCCC[N@H+](C)CCNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000742314307 1076828313 /nfs/dbraw/zinc/82/83/13/1076828313.db2.gz XWEPGLVJJCHJSX-UHFFFAOYSA-N 1 0 404.479 2.463 20 0 HEADRO Cn1ccc(N2CCC[C@@H](ON=C(N)c3cccc(C[NH+]4CCCCC4)c3)C2=O)n1 ZINC000742357464 1076830291 /nfs/dbraw/zinc/83/02/91/1076830291.db2.gz UURIKFAWDIHBQW-LJQANCHMSA-N 1 0 410.522 2.448 20 0 HEADRO CON(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000742398672 1076834429 /nfs/dbraw/zinc/83/44/29/1076834429.db2.gz ZWYSWBOKQDYMOQ-LJQANCHMSA-N 1 0 405.520 2.210 20 0 HEADRO COc1cc(C[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(N)=O ZINC000742375355 1076834976 /nfs/dbraw/zinc/83/49/76/1076834976.db2.gz QBCJTTANLITPLP-QGZVFWFLSA-N 1 0 417.893 2.416 20 0 HEADRO CON(C)S(=O)(=O)c1cc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccc1Cl ZINC000742401820 1076837919 /nfs/dbraw/zinc/83/79/19/1076837919.db2.gz VFNPKCMAFHPGMG-AWEZNQCLSA-N 1 0 417.959 2.372 20 0 HEADRO CCCCc1nnc(SCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)n1N ZINC000742455280 1076839454 /nfs/dbraw/zinc/83/94/54/1076839454.db2.gz VIYCXUGIWHYUHG-UHFFFAOYSA-N 1 0 416.595 2.470 20 0 HEADRO CC(C)N1C(=O)C(=O)N(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000742540496 1076849951 /nfs/dbraw/zinc/84/99/51/1076849951.db2.gz OXSMHCZTNVCGAJ-UHFFFAOYSA-N 1 0 424.295 2.201 20 0 HEADRO O=C(Nc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1)OCC(F)(F)F ZINC000742599479 1076855021 /nfs/dbraw/zinc/85/50/21/1076855021.db2.gz WAOGMCKXVFYTJY-GJZGRUSLSA-N 1 0 401.385 2.390 20 0 HEADRO N=C1NC(=O)C(CC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)S1 ZINC000742656815 1076861036 /nfs/dbraw/zinc/86/10/36/1076861036.db2.gz JRJBAEBJDYHCOO-GOSISDBHSA-N 1 0 402.564 2.394 20 0 HEADRO C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000742666496 1076862010 /nfs/dbraw/zinc/86/20/10/1076862010.db2.gz VVAUGQFBRYDTEJ-WDSOQIARSA-N 1 0 404.555 2.251 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000742669797 1076862992 /nfs/dbraw/zinc/86/29/92/1076862992.db2.gz BVBXIZKOYFOFLW-INIZCTEOSA-N 1 0 408.543 2.308 20 0 HEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000742672640 1076863757 /nfs/dbraw/zinc/86/37/57/1076863757.db2.gz SEFVIRASQFPKCC-UHFFFAOYSA-N 1 0 410.518 2.191 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCn1cnc2ccccc21 ZINC000742689147 1076867113 /nfs/dbraw/zinc/86/71/13/1076867113.db2.gz DQRAXXCZOLAKND-AWEZNQCLSA-N 1 0 407.927 2.344 20 0 HEADRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000742717533 1076873796 /nfs/dbraw/zinc/87/37/96/1076873796.db2.gz LSLGVJFJGDIROL-SFHVURJKSA-N 1 0 423.395 2.121 20 0 HEADRO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CC[C@H](C[NH+](CC)CC)C2)C1 ZINC000742865727 1076890102 /nfs/dbraw/zinc/89/01/02/1076890102.db2.gz JDTUPZJBWUKREQ-YLJYHZDGSA-N 1 0 400.523 2.375 20 0 HEADRO C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000742897167 1076894009 /nfs/dbraw/zinc/89/40/09/1076894009.db2.gz HBAXCYSXQKXCFQ-MRXNPFEDSA-N 1 0 406.527 2.165 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000742901402 1076894865 /nfs/dbraw/zinc/89/48/65/1076894865.db2.gz KLKPAZXLFKTRRW-ZDUSSCGKSA-N 1 0 403.342 2.409 20 0 HEADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000742950314 1076899727 /nfs/dbraw/zinc/89/97/27/1076899727.db2.gz XZBDGFCDXDZPTB-INIZCTEOSA-N 1 0 405.495 2.067 20 0 HEADRO CC[NH+](CC)CCN(C(=S)N[C@H]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000742979480 1076920240 /nfs/dbraw/zinc/92/02/40/1076920240.db2.gz ROFFMSMOMFLTDI-PMACEKPBSA-N 1 0 423.648 2.249 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cc(Br)cs2)C1 ZINC000743040739 1076932982 /nfs/dbraw/zinc/93/29/82/1076932982.db2.gz USHCETUKNQTABO-ZDUSSCGKSA-N 1 0 419.341 2.140 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c[nH]1 ZINC000743047754 1076935569 /nfs/dbraw/zinc/93/55/69/1076935569.db2.gz OVHLQCFHRMTPDY-UHFFFAOYSA-N 1 0 406.508 2.133 20 0 HEADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000743048629 1076937818 /nfs/dbraw/zinc/93/78/18/1076937818.db2.gz BROLMAORKNWRDM-KRWDZBQOSA-N 1 0 400.500 2.500 20 0 HEADRO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743049060 1076938459 /nfs/dbraw/zinc/93/84/59/1076938459.db2.gz LMZUODOTWUSYEH-QGZVFWFLSA-N 1 0 420.535 2.037 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000743049661 1076938648 /nfs/dbraw/zinc/93/86/48/1076938648.db2.gz RZPBPBRXWBCESQ-IBGZPJMESA-N 1 0 423.579 2.391 20 0 HEADRO Cc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccc1N1C(=O)CCC1=O ZINC000743156070 1076969897 /nfs/dbraw/zinc/96/98/97/1076969897.db2.gz RXUGWTJHVNFPSD-QGZVFWFLSA-N 1 0 402.495 2.007 20 0 HEADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000743164607 1076983015 /nfs/dbraw/zinc/98/30/15/1076983015.db2.gz XCLIRMZRQWOEDH-GFCCVEGCSA-N 1 0 410.462 2.379 20 0 HEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000743237597 1077011355 /nfs/dbraw/zinc/01/13/55/1077011355.db2.gz KNCUSMWWMCICAV-OAHLLOKOSA-N 1 0 415.943 2.465 20 0 HEADRO C[NH+](C)C1CCN(C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC1 ZINC000743239313 1077011834 /nfs/dbraw/zinc/01/18/34/1077011834.db2.gz XVIXKAHJTHTDAI-UHFFFAOYSA-N 1 0 403.932 2.321 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)NCCS(=O)(=O)Cc3ccccc3)cc2)CC1 ZINC000743318952 1077027975 /nfs/dbraw/zinc/02/79/75/1077027975.db2.gz GLWMQDSKLOBITO-UHFFFAOYSA-N 1 0 415.559 2.173 20 0 HEADRO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000743368316 1077033803 /nfs/dbraw/zinc/03/38/03/1077033803.db2.gz MZJOSBMJLFRVRH-IBGZPJMESA-N 1 0 414.550 2.493 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(Cn2nc(-c3ccco3)n(CCC(N)=O)c2=S)C1 ZINC000743391167 1077040172 /nfs/dbraw/zinc/04/01/72/1077040172.db2.gz XVAGBQQKUVHJCA-OAHLLOKOSA-N 1 0 406.556 2.171 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000743399187 1077042116 /nfs/dbraw/zinc/04/21/16/1077042116.db2.gz RKAIBGIZLOSMHT-CQSZACIVSA-N 1 0 412.581 2.445 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(Cn2nc(-c3cccs3)n(CCC(N)=O)c2=S)C1 ZINC000743397979 1077042205 /nfs/dbraw/zinc/04/22/05/1077042205.db2.gz FHZHVJSLWHEPNA-CQSZACIVSA-N 1 0 408.597 2.249 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000743399186 1077042228 /nfs/dbraw/zinc/04/22/28/1077042228.db2.gz RKAIBGIZLOSMHT-AWEZNQCLSA-N 1 0 412.581 2.445 20 0 HEADRO Cc1nn(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(=S)n1CC(=O)N(C)C ZINC000743402093 1077043243 /nfs/dbraw/zinc/04/32/43/1077043243.db2.gz DTENRBLEEXHDSH-LJQANCHMSA-N 1 0 416.595 2.222 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@H]3CCN(CC(F)(F)F)C3=O)cc2)CC1 ZINC000743403949 1077043820 /nfs/dbraw/zinc/04/38/20/1077043820.db2.gz YJWFIIQSUSMLRO-KRWDZBQOSA-N 1 0 412.456 2.064 20 0 HEADRO O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 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O=C(CCS(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OCc1ccccc1 ZINC000767303391 1079802034 /nfs/dbraw/zinc/80/20/34/1079802034.db2.gz SEIKBVQMKBHQTK-QUCCMNQESA-N 1 0 406.548 2.398 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH+]2CC3(C2)CCCOC3)C[C@H]1C(=O)N1CCSC1 ZINC001170041846 1079827623 /nfs/dbraw/zinc/82/76/23/1079827623.db2.gz HFPWFLGTWQMLGG-HOTGVXAUSA-N 1 0 411.568 2.010 20 0 HEADRO NC(=O)c1cc(OC2CC[NH+](C[C@H](O)COCc3ccccc3Cl)CC2)ccn1 ZINC000772336296 1079829832 /nfs/dbraw/zinc/82/98/32/1079829832.db2.gz MYVMGPSWGCAYOB-INIZCTEOSA-N 1 0 419.909 2.255 20 0 HEADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000772368154 1079849376 /nfs/dbraw/zinc/84/93/76/1079849376.db2.gz LOSUTJMRXCAPQU-UHFFFAOYSA-N 1 0 423.473 2.010 20 0 HEADRO COc1cccc([C@H](O)C[N@H+](Cc2ccccc2)CC2(O)CCS(=O)(=O)CC2)c1 ZINC000767417400 1079854387 /nfs/dbraw/zinc/85/43/87/1079854387.db2.gz LHXHKCPYEJHQFG-OAQYLSRUSA-N 1 0 419.543 2.171 20 0 HEADRO NC(=O)c1ccccc1NC(=O)CN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 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/nfs/dbraw/zinc/41/31/81/1080413181.db2.gz FTPCTELRJNCVEL-NRFANRHFSA-N 1 0 416.566 2.309 20 0 HEADRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000768217488 1080420763 /nfs/dbraw/zinc/42/07/63/1080420763.db2.gz MLCKFWDVQLDNTP-ABSDTBQOSA-N 1 0 415.490 2.300 20 0 HEADRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 ZINC000768222638 1080426747 /nfs/dbraw/zinc/42/67/47/1080426747.db2.gz YLCDYHFLXDDNRC-YTQUADARSA-N 1 0 405.495 2.233 20 0 HEADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000798470786 1080426958 /nfs/dbraw/zinc/42/69/58/1080426958.db2.gz MOAKQXVYHVLGRS-UHFFFAOYSA-N 1 0 419.341 2.388 20 0 HEADRO COC(=O)c1sc(NC(=O)C[NH2+]C(C)(C)C2CCOCC2)c(C(=O)OC)c1C ZINC000786153348 1080427568 /nfs/dbraw/zinc/42/75/68/1080427568.db2.gz PLYJEJZBROVUDC-UHFFFAOYSA-N 1 0 412.508 2.363 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](CO)Cc1ccccc1C ZINC000786158602 1080432072 /nfs/dbraw/zinc/43/20/72/1080432072.db2.gz 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CCOC(=O)C1CC[NH+](C2CCN(c3ccc(Cl)c(C(=O)NC)n3)CC2)CC1 ZINC001164617837 719028692 /nfs/dbraw/zinc/02/86/92/719028692.db2.gz PROOYUICHGKMJE-UHFFFAOYSA-N 1 0 408.930 2.339 20 0 HEADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3c(CN4CCOCC4)nnc3C2)nc1 ZINC001164680791 719589956 /nfs/dbraw/zinc/58/99/56/719589956.db2.gz QIUADJZJPYVOLN-IBGZPJMESA-N 1 0 411.554 2.072 20 0 HEADRO Cn1ncc2c1CN(c1cccc(N3CC[NH+](C)CC3)n1)C[C@@H]2COc1cccnc1 ZINC001164682417 719597967 /nfs/dbraw/zinc/59/79/67/719597967.db2.gz BTUOOVMJQQCFGV-GOSISDBHSA-N 1 0 419.533 2.145 20 0 HEADRO O=C(CO[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncccc1C[NH+]1CCCC1)N1CCCC1 ZINC001164710917 720087224 /nfs/dbraw/zinc/08/72/24/720087224.db2.gz KIQOYJAJBSJADY-KCZVDYSFSA-N 1 0 414.550 2.053 20 0 HEADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164814911 720105318 /nfs/dbraw/zinc/10/53/18/720105318.db2.gz UCRKWRAGZWWZCH-KKSFZXQISA-N 1 0 422.957 2.420 20 0 HEADRO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC 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CWDSLWAUUXMPMW-AWEZNQCLSA-N 1 0 423.974 2.197 20 0 HEADRO CSc1nc(Cl)cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164711857 720166630 /nfs/dbraw/zinc/16/66/30/720166630.db2.gz CWDSLWAUUXMPMW-CQSZACIVSA-N 1 0 423.974 2.197 20 0 HEADRO CCc1ncnc(Cl)c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716053 720170931 /nfs/dbraw/zinc/17/09/31/720170931.db2.gz XGCGENQDVCGHMI-MRXNPFEDSA-N 1 0 405.934 2.037 20 0 HEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3ccoc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715110 720171052 /nfs/dbraw/zinc/17/10/52/720171052.db2.gz SSJBOBDGKRWYKQ-HNNXBMFYSA-N 1 0 417.901 2.221 20 0 HEADRO Cn1nnc2c1CCN(c1ccnc(-c3ccccc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711276 720172113 /nfs/dbraw/zinc/17/21/13/720172113.db2.gz APNMOVNLIARSDG-HXUWFJFHSA-N 1 0 419.533 2.488 20 0 HEADRO Cn1nnc2c1CCN([C@@H](F)Oc1ccnc(Cl)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716504 720174263 /nfs/dbraw/zinc/17/42/63/720174263.db2.gz FZNONISLOSZEJI-QFBILLFUSA-N 1 0 424.908 2.207 20 0 HEADRO Cn1nnc2c1CCN(c1cnc3ccc(F)cc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717741 720179142 /nfs/dbraw/zinc/17/91/42/720179142.db2.gz MBNOOXFTUOVSAU-IBGZPJMESA-N 1 0 411.485 2.114 20 0 HEADRO CC(C)COc1cccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164718167 720192891 /nfs/dbraw/zinc/19/28/91/720192891.db2.gz YGFLWOBVHJSANM-IBGZPJMESA-N 1 0 414.554 2.461 20 0 HEADRO CSc1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(C)c1 ZINC001164715818 720194281 /nfs/dbraw/zinc/19/42/81/720194281.db2.gz NHIMHJUCRNCHRK-SFHVURJKSA-N 1 0 402.568 2.457 20 0 HEADRO COc1ccnc(Cl)c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715756 720201357 /nfs/dbraw/zinc/20/13/57/720201357.db2.gz NCZSRWDEHWZTGU-OAHLLOKOSA-N 1 0 406.918 2.088 20 0 HEADRO CCc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(Cl)nc1C ZINC001164717275 720205966 /nfs/dbraw/zinc/20/59/66/720205966.db2.gz HVTVOTVHZLPBOU-QGZVFWFLSA-N 1 0 419.961 2.346 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1c[nH]c3ncnc(Cl)c13)CCC2 ZINC001164812701 720212412 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LUSFWYCECITBKB-FUHWJXTLSA-N 1 0 409.939 2.205 20 0 HEADRO Cn1ccnc1[C@@](O)(CCNC(=O)CC[N@@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000769691578 1078522255 /nfs/dbraw/zinc/52/22/55/1078522255.db2.gz VVBXVXJXMKZNOE-IBGZPJMESA-N 1 0 410.440 2.125 20 0 HEADRO CC(C)CN(C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13CCC[C@H]1OCC3)C2)C1CC1 ZINC001109513724 1078533892 /nfs/dbraw/zinc/53/38/92/1078533892.db2.gz XHSRSKQDKNIEBP-IFUXXNRASA-N 1 0 403.567 2.314 20 0 HEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1nccn2c(Br)cnc12 ZINC000769711906 1078532160 /nfs/dbraw/zinc/53/21/60/1078532160.db2.gz PWEDKAHTHYLBBN-CQSZACIVSA-N 1 0 402.296 2.395 20 0 HEADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)C1 ZINC000769714508 1078532888 /nfs/dbraw/zinc/53/28/88/1078532888.db2.gz SBYJMPFDJIBXIS-SFHVURJKSA-N 1 0 412.575 2.386 20 0 HEADRO C[C@H](OC(=O)[C@H]1CCc2c[nH]nc2C1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000745628228 1078563646 /nfs/dbraw/zinc/56/36/46/1078563646.db2.gz VKIDLCFJLQINTC-WMZOPIPTSA-N 1 0 410.518 2.227 20 0 HEADRO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C3)cc1F ZINC001109541687 1078585459 /nfs/dbraw/zinc/58/54/59/1078585459.db2.gz GWPOZOBPUCATRP-CJGGRQNCSA-N 1 0 403.498 2.169 20 0 HEADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2Br)CC1 ZINC000769860828 1078585552 /nfs/dbraw/zinc/58/55/52/1078585552.db2.gz YJGQSJGOZMPTNV-UHFFFAOYSA-N 1 0 423.304 2.137 20 0 HEADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCOc1ccccc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001109538635 1078603594 /nfs/dbraw/zinc/60/35/94/1078603594.db2.gz LSSXBZNMMZXEIZ-UFXRRAJMSA-N 1 0 412.530 2.227 20 0 HEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000766334955 1078612631 /nfs/dbraw/zinc/61/26/31/1078612631.db2.gz CLRXODWGWHHTKC-CYBMUJFWSA-N 1 0 402.442 2.072 20 0 HEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000766334659 1078615770 /nfs/dbraw/zinc/61/57/70/1078615770.db2.gz YRELUMAYKLQOKA-NRFANRHFSA-N 1 0 408.502 2.039 20 0 HEADRO O=C(CC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769894812 1078617212 /nfs/dbraw/zinc/61/72/12/1078617212.db2.gz ANHVBNQIGJRQHT-KXBFYZLASA-N 1 0 415.456 2.487 20 0 HEADRO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000769918876 1078635430 /nfs/dbraw/zinc/63/54/30/1078635430.db2.gz CQQZPAOGYACLPU-KRWDZBQOSA-N 1 0 411.543 2.071 20 0 HEADRO O=C(NCc1nc(Cc2ccccc2)no1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745781005 1078640274 /nfs/dbraw/zinc/64/02/74/1078640274.db2.gz KNMFFZMJWFGIEW-UHFFFAOYSA-N 1 0 413.522 2.447 20 0 HEADRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)C[NH+]1CCN(C)CC1 ZINC000745781129 1078640764 /nfs/dbraw/zinc/64/07/64/1078640764.db2.gz WSLJEPXEKVMUOL-ROUUACIJSA-N 1 0 401.555 2.057 20 0 HEADRO C[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)C[NH+]1CCN(C)CC1 ZINC000745781126 1078640911 /nfs/dbraw/zinc/64/09/11/1078640911.db2.gz WSLJEPXEKVMUOL-MSOLQXFVSA-N 1 0 401.555 2.057 20 0 HEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000769971092 1078654816 /nfs/dbraw/zinc/65/48/16/1078654816.db2.gz BPEBFEQHMROORM-LRDNONRASA-N 1 0 424.904 2.235 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)C2=O)cc1 ZINC000745824717 1078664951 /nfs/dbraw/zinc/66/49/51/1078664951.db2.gz LGCICOFKERESGP-RTWAWAEBSA-N 1 0 414.550 2.433 20 0 HEADRO C[NH+]1CCC(CNC(=O)NCC[S@@](=O)Cc2ccccc2)(N2CCCCC2)CC1 ZINC000745830330 1078666391 /nfs/dbraw/zinc/66/63/91/1078666391.db2.gz LHFYQBKITWKUTR-GDLZYMKVSA-N 1 0 420.623 2.185 20 0 HEADRO CCN(CC1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1)C(=O)OC(C)(C)C ZINC000745833360 1078660404 /nfs/dbraw/zinc/66/04/04/1078660404.db2.gz UYZQATGICAFXLF-GOSISDBHSA-N 1 0 412.575 2.386 20 0 HEADRO CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000769992389 1078676887 /nfs/dbraw/zinc/67/68/87/1078676887.db2.gz FZRBUYYEJBZCHU-LJQANCHMSA-N 1 0 416.522 2.001 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)C2=O)cc1 ZINC000745879720 1078682836 /nfs/dbraw/zinc/68/28/36/1078682836.db2.gz WBCGGZXMJRBJOA-UXHICEINSA-N 1 0 402.539 2.243 20 0 HEADRO C[NH+]1CCC(O)(CNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000745881948 1078684732 /nfs/dbraw/zinc/68/47/32/1078684732.db2.gz UMVQKPNUVXWSIJ-KRWDZBQOSA-N 1 0 406.527 2.008 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000770058373 1078686600 /nfs/dbraw/zinc/68/66/00/1078686600.db2.gz XRBQUEHCOQACSD-LJQANCHMSA-N 1 0 408.568 2.260 20 0 HEADRO CN(CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)OC(C)(C)C ZINC000770022767 1078690919 /nfs/dbraw/zinc/69/09/19/1078690919.db2.gz HHDBWILNJXBLSB-UHFFFAOYSA-N 1 0 418.538 2.247 20 0 HEADRO C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000770046418 1078703083 /nfs/dbraw/zinc/70/30/83/1078703083.db2.gz GMSGGAUOMJWNPI-PNHOKKKMSA-N 1 0 411.481 2.053 20 0 HEADRO CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000770047389 1078703469 /nfs/dbraw/zinc/70/34/69/1078703469.db2.gz JDEQDNYCMPXAMI-DNVCBOLYSA-N 1 0 405.520 2.290 20 0 HEADRO C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945251 1078709152 /nfs/dbraw/zinc/70/91/52/1078709152.db2.gz ZQCZDRZHDUPSMG-QGZVFWFLSA-N 1 0 404.511 2.344 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCO[C@H](C)C3)cc2Cl)CC1 ZINC000770090497 1078716585 /nfs/dbraw/zinc/71/65/85/1078716585.db2.gz XAZZUQOCMONERK-WBVHZDCISA-N 1 0 422.957 2.494 20 0 HEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000745998282 1078725730 /nfs/dbraw/zinc/72/57/30/1078725730.db2.gz NZXHHGDPDCNIDD-JZXOWHBKSA-N 1 0 408.518 2.360 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000770104643 1078726494 /nfs/dbraw/zinc/72/64/94/1078726494.db2.gz YOAXJDUYQCZVMC-VQTJNVASSA-N 1 0 403.523 2.118 20 0 HEADRO Cc1cncc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)c1 ZINC001170013064 1078730962 /nfs/dbraw/zinc/73/09/62/1078730962.db2.gz BTGQGEYFDYGWOL-IRXDYDNUSA-N 1 0 406.552 2.391 20 0 HEADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000746019726 1078735929 /nfs/dbraw/zinc/73/59/29/1078735929.db2.gz ZETCXWMNGZCYQO-GOSISDBHSA-N 1 0 417.554 2.062 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000770176167 1078748802 /nfs/dbraw/zinc/74/88/02/1078748802.db2.gz ZTRMGOWGSLIRNR-ICSRJNTNSA-N 1 0 418.582 2.265 20 0 HEADRO COC(=O)Nc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1F ZINC000746044221 1078753745 /nfs/dbraw/zinc/75/37/45/1078753745.db2.gz QXXQMXQESIXORA-CABCVRRESA-N 1 0 406.458 2.416 20 0 HEADRO COC(=O)C[C@@]1(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CCCOC1 ZINC000770164161 1078762606 /nfs/dbraw/zinc/76/26/06/1078762606.db2.gz SEYKLHZXVBLYHL-QFIPXVFZSA-N 1 0 403.523 2.059 20 0 HEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000746053963 1078763280 /nfs/dbraw/zinc/76/32/80/1078763280.db2.gz UOZUYMLJFPHIME-AWEZNQCLSA-N 1 0 400.928 2.479 20 0 HEADRO CN(CC(=O)Nc1ccccc1Cl)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000746096302 1078778421 /nfs/dbraw/zinc/77/84/21/1078778421.db2.gz BOWJTIQVRFOQJU-UHFFFAOYSA-N 1 0 415.925 2.344 20 0 HEADRO O=C(CC1([NH+]2CCOCC2)CCCC1)Nn1cnc2sc3c(c2c1=O)CCCC3 ZINC000746105851 1078787619 /nfs/dbraw/zinc/78/76/19/1078787619.db2.gz ALUATRGDFOTALQ-UHFFFAOYSA-N 1 0 416.547 2.442 20 0 HEADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCNc1ncnc2sccc21 ZINC000746135359 1078802414 /nfs/dbraw/zinc/80/24/14/1078802414.db2.gz TUSRYNIOMHCROT-UHFFFAOYSA-N 1 0 410.547 2.432 20 0 HEADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C1CCCCC1 ZINC000746125223 1078798772 /nfs/dbraw/zinc/79/87/72/1078798772.db2.gz MAVIEFALTBOXJL-HKBOAZHASA-N 1 0 417.550 2.385 20 0 HEADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1cccc(CN2CCOC2=O)c1 ZINC000746128778 1078799750 /nfs/dbraw/zinc/79/97/50/1078799750.db2.gz CTKSNGAGCCZUFR-UHFFFAOYSA-N 1 0 409.490 2.185 20 0 HEADRO NC(=O)[C@@H]1CC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)=NN1c1ccccc1 ZINC000770253358 1078813690 /nfs/dbraw/zinc/81/36/90/1078813690.db2.gz ZEXDOHRZGFWTNL-NRFANRHFSA-N 1 0 405.502 2.384 20 0 HEADRO NC(=O)[C@H]1CC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)=NN1c1ccccc1 ZINC000770253361 1078813719 /nfs/dbraw/zinc/81/37/19/1078813719.db2.gz ZEXDOHRZGFWTNL-OAQYLSRUSA-N 1 0 405.502 2.384 20 0 HEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000770281294 1078806465 /nfs/dbraw/zinc/80/64/65/1078806465.db2.gz BPUCTQVLQTUFNZ-IBGZPJMESA-N 1 0 423.579 2.391 20 0 HEADRO CC(C)(C)OC(=O)N1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000746149048 1078806799 /nfs/dbraw/zinc/80/67/99/1078806799.db2.gz JNIFXAIUWGMQLI-JOCHJYFZSA-N 1 0 403.523 2.093 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[C@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000770288540 1078809242 /nfs/dbraw/zinc/80/92/42/1078809242.db2.gz AZTZCAJKYZKZPA-NQIIRXRSSA-N 1 0 416.566 2.215 20 0 HEADRO C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000746171669 1078809653 /nfs/dbraw/zinc/80/96/53/1078809653.db2.gz XWEZORJZUDPPPQ-UZUQRXQVSA-N 1 0 409.486 2.457 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000746168070 1078814485 /nfs/dbraw/zinc/81/44/85/1078814485.db2.gz RRJULPUODLXHOU-PKOBYXMFSA-N 1 0 404.555 2.395 20 0 HEADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000746224395 1078826284 /nfs/dbraw/zinc/82/62/84/1078826284.db2.gz JJHAJKHFMVTYIO-OAHLLOKOSA-N 1 0 400.479 2.140 20 0 HEADRO C[C@@H](NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000770362827 1078830886 /nfs/dbraw/zinc/83/08/86/1078830886.db2.gz NWCUQTJOFPZDHA-DLBZAZTESA-N 1 0 403.527 2.029 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC000770379353 1078834341 /nfs/dbraw/zinc/83/43/41/1078834341.db2.gz DZPMXIJEIAHQHW-LPHOPBHVSA-N 1 0 421.538 2.500 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000770380459 1078834599 /nfs/dbraw/zinc/83/45/99/1078834599.db2.gz IADSXNAVKLDVKS-SJLPKXTDSA-N 1 0 403.527 2.204 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@H](CO)c2ccccc2)C[C@H]1C(=O)N1CCSC1 ZINC001170014166 1078835247 /nfs/dbraw/zinc/83/52/47/1078835247.db2.gz MZTWVEMLNNLTEP-KURKYZTESA-N 1 0 421.563 2.221 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@H](CO)c2ccccc2)C[C@H]1C(=O)N1CCSC1 ZINC001170014165 1078835299 /nfs/dbraw/zinc/83/52/99/1078835299.db2.gz MZTWVEMLNNLTEP-KSZLIROESA-N 1 0 421.563 2.221 20 0 HEADRO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NCCN4CC[NH2+]CC4)cc3)ccc12 ZINC000746284843 1078835680 /nfs/dbraw/zinc/83/56/80/1078835680.db2.gz IYOAQSVSWVFKGB-UHFFFAOYSA-N 1 0 421.497 2.315 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000770338483 1078836401 /nfs/dbraw/zinc/83/64/01/1078836401.db2.gz DETVEQYKSZGJGJ-IBGZPJMESA-N 1 0 417.554 2.037 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000770345512 1078837770 /nfs/dbraw/zinc/83/77/70/1078837770.db2.gz NZDVXXASGJFFOU-ROUUACIJSA-N 1 0 421.611 2.237 20 0 HEADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000746275441 1078841388 /nfs/dbraw/zinc/84/13/88/1078841388.db2.gz MQMCXYUKWDHVCC-QGZVFWFLSA-N 1 0 401.555 2.295 20 0 HEADRO CC(=O)Nc1ccc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 ZINC000770394714 1078841623 /nfs/dbraw/zinc/84/16/23/1078841623.db2.gz LFQMLSBXHPNXGH-UHFFFAOYSA-N 1 0 402.520 2.339 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000770404524 1078843408 /nfs/dbraw/zinc/84/34/08/1078843408.db2.gz SQDWBZGXHZRPBR-GOSISDBHSA-N 1 0 404.511 2.191 20 0 HEADRO C[C@@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000746292166 1078843823 /nfs/dbraw/zinc/84/38/23/1078843823.db2.gz CTRABUFWSHWJHR-FHJLPGHOSA-N 1 0 417.550 2.385 20 0 HEADRO 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CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)C1 ZINC000746452763 1078980557 /nfs/dbraw/zinc/98/05/57/1078980557.db2.gz JBMCKGMSQVTDHT-OAHLLOKOSA-N 1 0 418.929 2.343 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)C1 ZINC000746452761 1078980650 /nfs/dbraw/zinc/98/06/50/1078980650.db2.gz JBMCKGMSQVTDHT-HNNXBMFYSA-N 1 0 418.929 2.343 20 0 HEADRO COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)c1F ZINC000770713889 1078980833 /nfs/dbraw/zinc/98/08/33/1078980833.db2.gz XUNJYDRDTKNPOJ-HNNXBMFYSA-N 1 0 419.453 2.209 20 0 HEADRO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)cc1 ZINC000746452351 1078981933 /nfs/dbraw/zinc/98/19/33/1078981933.db2.gz STXHTGRUJOYHFR-MSOLQXFVSA-N 1 0 402.495 2.265 20 0 HEADRO Cc1[nH]nc(Br)c1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001168790964 1078988902 /nfs/dbraw/zinc/98/89/02/1078988902.db2.gz APEIOGOCFOWOGO-SFHVURJKSA-N 1 0 407.312 2.190 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)C1 ZINC000746448357 1078990184 /nfs/dbraw/zinc/99/01/84/1078990184.db2.gz BTNLLJUYKMVKMZ-RBUKOAKNSA-N 1 0 416.566 2.334 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCCO4)[C@@H]3C2)CC1 ZINC001168791486 1078992865 /nfs/dbraw/zinc/99/28/65/1078992865.db2.gz WWLNYOPWOHYIJP-GEXASXOISA-N 1 0 408.539 2.247 20 0 HEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001168792119 1078996732 /nfs/dbraw/zinc/99/67/32/1078996732.db2.gz RJULHBRWWFRMCA-CVDCTZTESA-N 1 0 402.535 2.450 20 0 HEADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000804278334 1078999203 /nfs/dbraw/zinc/99/92/03/1078999203.db2.gz UTGMRUIGIDCUMF-ZSYWTGECSA-N 1 0 419.616 2.121 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2N2CCOC2=O)C1 ZINC000746455295 1079006108 /nfs/dbraw/zinc/00/61/08/1079006108.db2.gz RSFBKYHXDFVWFE-INIZCTEOSA-N 1 0 402.495 2.066 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2F)C1 ZINC000746455838 1079007901 /nfs/dbraw/zinc/00/79/01/1079007901.db2.gz WEGDYBXSDTVDAO-INIZCTEOSA-N 1 0 418.513 2.375 20 0 HEADRO COc1ccc(Cc2nn(CN3CCN([C@H]4CCC[N@H+](C)C4)CC3)c(=S)o2)cc1 ZINC000738213636 1079016837 /nfs/dbraw/zinc/01/68/37/1079016837.db2.gz KUXRPJILMIMZSM-SFHVURJKSA-N 1 0 417.579 2.474 20 0 HEADRO [NH3+]Cc1ccc2nnn(-c3nc(Cl)nc4c3CN(Cc3ccccc3)C4=O)c2c1 ZINC001170017980 1079023517 /nfs/dbraw/zinc/02/35/17/1079023517.db2.gz XPAUXNRMMLJQJP-UHFFFAOYSA-N 1 0 405.849 2.479 20 0 HEADRO COCOc1ccc(OC)cc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000766483763 1079035317 /nfs/dbraw/zinc/03/53/17/1079035317.db2.gz CCSMMDVQRXVHQK-UHFFFAOYSA-N 1 0 420.940 2.461 20 0 HEADRO COc1cccc([C@@H](O)C2CCN(C(=O)CCN3CC[NH+](C(C)C)CC3)CC2)c1 ZINC001170018425 1079037140 /nfs/dbraw/zinc/03/71/40/1079037140.db2.gz PMMZVZYRIFYNDH-QHCPKHFHSA-N 1 0 403.567 2.383 20 0 HEADRO COc1ccc(CN2CCN(C(=O)C[NH+]3CCC(N(C)CC(F)F)CC3)CC2)cc1 ZINC000746482073 1079039001 /nfs/dbraw/zinc/03/90/01/1079039001.db2.gz MRACUQPIFSWONU-UHFFFAOYSA-N 1 0 424.536 2.001 20 0 HEADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](CO)C[C@H](O)c3ccccc3)CC2)c1 ZINC000770859587 1079042331 /nfs/dbraw/zinc/04/23/31/1079042331.db2.gz VJGLBBJDKNYTGY-GMAHTHKFSA-N 1 0 411.546 2.108 20 0 HEADRO CN(CC(F)F)C1CC[NH+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000746483594 1079042544 /nfs/dbraw/zinc/04/25/44/1079042544.db2.gz XEVZDMXNWHTAOB-UHFFFAOYSA-N 1 0 423.508 2.024 20 0 HEADRO C[C@H]1C[C@@H]([NH2+]CCN(C)CCNC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC001168824063 1079046941 /nfs/dbraw/zinc/04/69/41/1079046941.db2.gz NCTGTOKQIONUMM-JKSUJKDBSA-N 1 0 400.564 2.430 20 0 HEADRO 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 ZINC001168843923 1079051299 /nfs/dbraw/zinc/05/12/99/1079051299.db2.gz AUMRZHMPZMAIGK-ICBNADEASA-N 1 0 423.554 2.418 20 0 HEADRO C[C@@H]1C[C@H](N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168860602 1079055613 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ZINC001168892298 1079063049 /nfs/dbraw/zinc/06/30/49/1079063049.db2.gz LNNXZHWEIIXVQX-RTBURBONSA-N 1 0 414.502 2.224 20 0 HEADRO [NH3+]Cc1cccc(-c2nnn(-c3ncnc4ncn(Cc5ccccc5F)c43)n2)c1 ZINC001168877658 1079065925 /nfs/dbraw/zinc/06/59/25/1079065925.db2.gz BMDXYCMASNJZSV-UHFFFAOYSA-N 1 0 401.409 2.115 20 0 HEADRO O=C1CCc2cc(OC[C@H](O)C[N@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)ccc2N1 ZINC001168885967 1079068779 /nfs/dbraw/zinc/06/87/79/1079068779.db2.gz PEALWJCPRADZGX-SCTDSRPQSA-N 1 0 406.548 2.298 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]CCCCCCN3C(=O)C=CC3=O)CC2=O)cc1 ZINC001168903045 1079071314 /nfs/dbraw/zinc/07/13/14/1079071314.db2.gz XFQXOOWZNCEOAU-IBGZPJMESA-N 1 0 413.518 2.261 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(c4cc(C)nc(C)n4)CC3)CC2=O)cc1 ZINC001168938374 1079079654 /nfs/dbraw/zinc/07/96/54/1079079654.db2.gz BOQXFPVEBXWGPP-FQEVSTJZSA-N 1 0 409.534 2.415 20 0 HEADRO C[C@H]1C[C@H](NC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000766536379 1079071722 /nfs/dbraw/zinc/07/17/22/1079071722.db2.gz WIMFYPNTXBDFMR-QWHCGFSZSA-N 1 0 423.457 2.141 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]CCc3cccc(S(C)(=O)=O)c3)CC2=O)cc1 ZINC001168908629 1079072873 /nfs/dbraw/zinc/07/28/73/1079072873.db2.gz JVZSYALAPNJQRI-IBGZPJMESA-N 1 0 416.543 2.422 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(N4CCOCC4=O)cc3)CC2=O)cc1 ZINC001168910156 1079073046 /nfs/dbraw/zinc/07/30/46/1079073046.db2.gz RWRPDHKRIGTHSQ-FQEVSTJZSA-N 1 0 423.513 2.339 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2=O)cc1 ZINC001168910180 1079073059 /nfs/dbraw/zinc/07/30/59/1079073059.db2.gz SMFJCGLWBDFFAK-CVEARBPZSA-N 1 0 413.440 2.329 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(N4CCOCC4=O)c3)CC2=O)cc1 ZINC001168913442 1079074295 /nfs/dbraw/zinc/07/42/95/1079074295.db2.gz GIOAQAZPERWGDU-HXUWFJFHSA-N 1 0 423.513 2.339 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCN(C(=O)c4ccncc4)C3)CC2=O)cc1 ZINC001168916915 1079075193 /nfs/dbraw/zinc/07/51/93/1079075193.db2.gz VQECWSNVUICCHO-WOJBJXKFSA-N 1 0 408.502 2.086 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCN(C(=O)c4ccncc4)C3)CC2=O)cc1 ZINC001168916912 1079075202 /nfs/dbraw/zinc/07/52/02/1079075202.db2.gz VQECWSNVUICCHO-VQTJNVASSA-N 1 0 408.502 2.086 20 0 HEADRO CCN(C)C(=O)CO[C@H]1CCC[N@@H+]([C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)C1 ZINC001168958020 1079091846 /nfs/dbraw/zinc/09/18/46/1079091846.db2.gz KYCHDYZWRNXHGG-CTNGQTDRSA-N 1 0 417.550 2.146 20 0 HEADRO [NH3+]CCc1cnn(-c2nc(Cl)nc3c2ccn3S(=O)(=O)c2ccccc2)c1 ZINC001168945741 1079082732 /nfs/dbraw/zinc/08/27/32/1079082732.db2.gz ARFDGLPAOGDOTR-UHFFFAOYSA-N 1 0 402.867 2.009 20 0 HEADRO C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(-n4cc(CC[NH3+])cn4)c23)C1 ZINC001168945842 1079082837 /nfs/dbraw/zinc/08/28/37/1079082837.db2.gz DOIDMQFYALUHLW-AWEZNQCLSA-N 1 0 412.563 2.335 20 0 HEADRO [NH3+]CCc1cnn(-c2nccc(-c3cn(S(=O)(=O)C4CC4)c4ccccc34)n2)c1 ZINC001168945853 1079083226 /nfs/dbraw/zinc/08/32/26/1079083226.db2.gz DVTHRWKRLCISCG-UHFFFAOYSA-N 1 0 408.487 2.126 20 0 HEADRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(Br)c(S(C)(=O)=O)c3)C[C@@]2(C)C1 ZINC001168928792 1079087155 /nfs/dbraw/zinc/08/71/55/1079087155.db2.gz BWVPKVLWNNHKAN-IAGOWNOFSA-N 1 0 415.353 2.266 20 0 HEADRO COc1ccc(CN2CC[C@H](N3Cc4nccn4C[C@H](C[NH+](C)C)C3)CC2=O)cc1 ZINC001168929064 1079087577 /nfs/dbraw/zinc/08/75/77/1079087577.db2.gz HIWQLURXKGRWRX-PMACEKPBSA-N 1 0 411.550 2.076 20 0 HEADRO C[NH+]1C[C@]2(C)CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)C[C@@]2(C)C1 ZINC001168928926 1079087637 /nfs/dbraw/zinc/08/76/37/1079087637.db2.gz DDEDDHLIRGPXEV-NHCUHLMSSA-N 1 0 423.554 2.027 20 0 HEADRO Cc1c(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)nnn1CCOc1ccc(F)cc1 ZINC001168931362 1079088477 /nfs/dbraw/zinc/08/84/77/1079088477.db2.gz RBPOGYJIWAOGFL-OYRHEFFESA-N 1 0 401.486 2.218 20 0 HEADRO COc1ccc(CN2CC[C@H](N(c3ncc(F)cn3)C3CC[NH2+]CC3)CC2=O)cc1 ZINC001168956603 1079090875 /nfs/dbraw/zinc/09/08/75/1079090875.db2.gz WAXUXQLTGZLDEJ-IBGZPJMESA-N 1 0 413.497 2.374 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(c4cc(OC)ccn4)CC3)CC2=O)cc1 ZINC001168955538 1079090908 /nfs/dbraw/zinc/09/09/08/1079090908.db2.gz QFVMMKOLBDKZCA-IBGZPJMESA-N 1 0 410.518 2.412 20 0 HEADRO COC(=O)c1cnc2c(c1)C[N@H+]([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2 ZINC001168956812 1079091186 /nfs/dbraw/zinc/09/11/86/1079091186.db2.gz FPRITNLQYOWZDK-LJQANCHMSA-N 1 0 409.486 2.426 20 0 HEADRO Cc1nc(NC2CC2)sc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000771013785 1079104136 /nfs/dbraw/zinc/10/41/36/1079104136.db2.gz BWTXULARBJCHRI-UHFFFAOYSA-N 1 0 401.536 2.247 20 0 HEADRO COC(=O)c1cn([C@@H]2CC[N@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)nn1 ZINC001169013738 1079099791 /nfs/dbraw/zinc/09/97/91/1079099791.db2.gz JGAYVAJEXBDEKG-HZPDHXFCSA-N 1 0 407.515 2.349 20 0 HEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001169042273 1079108831 /nfs/dbraw/zinc/10/88/31/1079108831.db2.gz YGVNUDLIIKGBRI-SFHVURJKSA-N 1 0 405.539 2.210 20 0 HEADRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)n1C ZINC001170021115 1079115582 /nfs/dbraw/zinc/11/55/82/1079115582.db2.gz VCJOQJZVSGJRGL-WBVHZDCISA-N 1 0 408.568 2.334 20 0 HEADRO CC(C)(C)OC(=O)COc1ccc(C(=O)N2CC[NH+](CCCCCO)CC2)cc1 ZINC001169066235 1079121634 /nfs/dbraw/zinc/12/16/34/1079121634.db2.gz YDRVPCOGEYBKBE-UHFFFAOYSA-N 1 0 406.523 2.328 20 0 HEADRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OCC(=O)OC)cc2)C1 ZINC001169072628 1079124181 /nfs/dbraw/zinc/12/41/81/1079124181.db2.gz LSZMILFEUVPIMS-JFIYKMOQSA-N 1 0 420.506 2.079 20 0 HEADRO COc1ccc([C@H](CNC(=O)COC(=O)[C@@H]2CCO[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000771078894 1079133158 /nfs/dbraw/zinc/13/31/58/1079133158.db2.gz REDAJEYORMZGRQ-AHRSYUTCSA-N 1 0 404.507 2.307 20 0 HEADRO 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 1079134210 /nfs/dbraw/zinc/13/42/10/1079134210.db2.gz SGDMLZGRQRJHBV-NEYJZJCJSA-N 1 0 414.550 2.181 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(O)cc2)C[C@H]1C(=O)N1CCSC1 ZINC001170021271 1079139777 /nfs/dbraw/zinc/13/97/77/1079139777.db2.gz YSABAUNQBGDEPZ-RDJZCZTQSA-N 1 0 407.536 2.393 20 0 HEADRO CC(C)OCCC[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170021469 1079144855 /nfs/dbraw/zinc/14/48/55/1079144855.db2.gz FHBJMNDCWGEGNJ-CVEARBPZSA-N 1 0 401.573 2.302 20 0 HEADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766602133 1079149208 /nfs/dbraw/zinc/14/92/08/1079149208.db2.gz SLMAMBFYLLVJJG-RUGDWHBFSA-N 1 0 416.565 2.020 20 0 HEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000766601955 1079149573 /nfs/dbraw/zinc/14/95/73/1079149573.db2.gz KKKNWYHGVVGREJ-NRFANRHFSA-N 1 0 420.513 2.057 20 0 HEADRO CC[C@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ncccc1C ZINC001169168502 1079168209 /nfs/dbraw/zinc/16/82/09/1079168209.db2.gz NFNBOLCKGRUJRQ-IRXDYDNUSA-N 1 0 412.538 2.437 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc(F)ccc1F ZINC001169161823 1079171133 /nfs/dbraw/zinc/17/11/33/1079171133.db2.gz GVEAGFHIQDHXQF-ZDUSSCGKSA-N 1 0 405.449 2.061 20 0 HEADRO Cc1ccc(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1F ZINC001169165053 1079173490 /nfs/dbraw/zinc/17/34/90/1079173490.db2.gz YUQLJJLYTVIJCU-OAHLLOKOSA-N 1 0 401.486 2.230 20 0 HEADRO Cc1ncccc1[C@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC001169191660 1079179719 /nfs/dbraw/zinc/17/97/19/1079179719.db2.gz MUBVGFOUERDOBW-HNAYVOBHSA-N 1 0 424.549 2.437 20 0 HEADRO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1CN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169160519 1079169778 /nfs/dbraw/zinc/16/97/78/1079169778.db2.gz HHNMIAPJOHXOCT-LNWMGJJQSA-N 1 0 407.555 2.486 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCc2ccccc21 ZINC001169194000 1079180818 /nfs/dbraw/zinc/18/08/18/1079180818.db2.gz UWQGVZSCKXGKRD-FUHWJXTLSA-N 1 0 409.534 2.312 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCCc2cnccc21 ZINC001169194244 1079181561 /nfs/dbraw/zinc/18/15/61/1079181561.db2.gz XHWQOTHJAUIWKJ-YJBOKZPZSA-N 1 0 410.522 2.055 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1ccccc1F ZINC001169203250 1079184660 /nfs/dbraw/zinc/18/46/60/1079184660.db2.gz UIYPYBJWLGTSCC-OAHLLOKOSA-N 1 0 401.486 2.264 20 0 HEADRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc(C(=O)N2CCN(C)CC2)ccn1 ZINC001169175603 1079189896 /nfs/dbraw/zinc/18/98/96/1079189896.db2.gz LAUDNZUHJMDDGC-UHFFFAOYSA-N 1 0 407.518 2.231 20 0 HEADRO CC(C)[C@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccn1 ZINC001169171867 1079186532 /nfs/dbraw/zinc/18/65/32/1079186532.db2.gz HTXFABWHAAZIDY-WMZOPIPTSA-N 1 0 412.538 2.374 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccc(F)c1F ZINC001169172126 1079186544 /nfs/dbraw/zinc/18/65/44/1079186544.db2.gz KCQQRIBKDZNYOE-CYBMUJFWSA-N 1 0 405.449 2.061 20 0 HEADRO CC(C)[C@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccn1 ZINC001169171861 1079186662 /nfs/dbraw/zinc/18/66/62/1079186662.db2.gz HTXFABWHAAZIDY-AEFFLSMTSA-N 1 0 412.538 2.374 20 0 HEADRO CC[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771145523 1079193148 /nfs/dbraw/zinc/19/31/48/1079193148.db2.gz OOLQRIGQBWBTLO-ZUOKHONESA-N 1 0 424.904 2.094 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1(c2ccccc2)CC1 ZINC001169181727 1079193794 /nfs/dbraw/zinc/19/37/94/1079193794.db2.gz SQUZRYKASVSCJP-QGZVFWFLSA-N 1 0 409.534 2.314 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1ccc2cccc(C[NH3+])c21 ZINC001169181550 1079193833 /nfs/dbraw/zinc/19/38/33/1079193833.db2.gz REJHYBFECFSQTJ-HNNXBMFYSA-N 1 0 408.506 2.279 20 0 HEADRO Cc1ccc(C2(C[NH2+][C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)nc1 ZINC001169184461 1079194958 /nfs/dbraw/zinc/19/49/58/1079194958.db2.gz QGCVRPYCKRLQTD-KRWDZBQOSA-N 1 0 424.549 2.017 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(Cn3nnn(-c4ccccc4)c3=S)CC2)CC1 ZINC000771177016 1079211063 /nfs/dbraw/zinc/21/10/63/1079211063.db2.gz YLWGXQYWHPDOFW-UHFFFAOYSA-N 1 0 401.584 2.246 20 0 HEADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](NC(C)=O)[C@@H](NC2CC[NH+](CC)CC2)C1 ZINC001169224311 1079202026 /nfs/dbraw/zinc/20/20/26/1079202026.db2.gz IOHWDIGYCHOGCG-BDTNDASRSA-N 1 0 423.598 2.401 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(CN3C(=O)N[C@@]4(C3=O)[C@H](C)CCC[C@@H]4C)CC2)CC1 ZINC000771172275 1079208121 /nfs/dbraw/zinc/20/81/21/1079208121.db2.gz ATWPRMQUXFQFLG-MOJGAOKDSA-N 1 0 419.614 2.181 20 0 HEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771175041 1079210062 /nfs/dbraw/zinc/21/00/62/1079210062.db2.gz KJKPOYKJDJOFJE-VBKZILBWSA-N 1 0 424.904 2.237 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CCN4C)CC[NH2+]2)c1 ZINC001169252275 1079212308 /nfs/dbraw/zinc/21/23/08/1079212308.db2.gz WRQXLMHUOVRIJG-GOSISDBHSA-N 1 0 408.502 2.130 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1)C(C)C ZINC000771190955 1079215168 /nfs/dbraw/zinc/21/51/68/1079215168.db2.gz OPTDXQTWGINGEG-QGZVFWFLSA-N 1 0 402.539 2.486 20 0 HEADRO O=C(OC1CCC(n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)CC1)c1ccccc1 ZINC001169297559 1079227725 /nfs/dbraw/zinc/22/77/25/1079227725.db2.gz RSJONYPOSBUMNA-UHFFFAOYSA-N 1 0 424.501 2.299 20 0 HEADRO CCO[C@H]1C[C@](CO)([NH2+]CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1(C)C ZINC001169301086 1079230088 /nfs/dbraw/zinc/23/00/88/1079230088.db2.gz RSYSWYMGICAXHG-YCRPNKLZSA-N 1 0 423.579 2.210 20 0 HEADRO O=C(Nc1ccc(SC(F)F)nc1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000771219082 1079233634 /nfs/dbraw/zinc/23/36/34/1079233634.db2.gz FPLMNMRDMXBISD-AWEZNQCLSA-N 1 0 414.478 2.094 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)CO1 ZINC001169350590 1079234553 /nfs/dbraw/zinc/23/45/53/1079234553.db2.gz JYDAJMASSDIECK-WBVHZDCISA-N 1 0 402.447 2.130 20 0 HEADRO CCOC(=O)C1=C(N[C@@H]2CC[C@H](C(=O)OCC)OC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001169338362 1079238493 /nfs/dbraw/zinc/23/84/93/1079238493.db2.gz HGNYDJHASTWUKS-WIYYLYMNSA-N 1 0 416.518 2.410 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)CO1 ZINC001169376913 1079246416 /nfs/dbraw/zinc/24/64/16/1079246416.db2.gz ZISNRHRGRHIQJM-DLBZAZTESA-N 1 0 412.527 2.199 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCNC(=O)c2ncsc2-c2cccc(F)c2)CO1 ZINC001169376622 1079246606 /nfs/dbraw/zinc/24/66/06/1079246606.db2.gz SNYLDUMQQNKJIL-CVEARBPZSA-N 1 0 421.494 2.379 20 0 HEADRO CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001169403312 1079251181 /nfs/dbraw/zinc/25/11/81/1079251181.db2.gz XCVRVSAXXLQWRT-UHFFFAOYSA-N 1 0 409.477 2.238 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)CO1 ZINC001169383741 1079254006 /nfs/dbraw/zinc/25/40/06/1079254006.db2.gz BNNFOQMYUFSMNN-BPBCIEFSSA-N 1 0 404.507 2.332 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)COCCN3Cc2c(C)noc2C)CO1 ZINC001169384651 1079256871 /nfs/dbraw/zinc/25/68/71/1079256871.db2.gz HBMMADMDRJLMCG-UYAOXDASSA-N 1 0 421.538 2.069 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)CO1 ZINC001169388905 1079259651 /nfs/dbraw/zinc/25/96/51/1079259651.db2.gz QVNJOYUIUSNXQE-LZNRXBQRSA-N 1 0 402.491 2.235 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)CO1 ZINC001169392706 1079263104 /nfs/dbraw/zinc/26/31/04/1079263104.db2.gz BBHBGCUTJLQCHM-XAPVIXHLSA-N 1 0 411.539 2.164 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)CO1 ZINC001169400423 1079274859 /nfs/dbraw/zinc/27/48/59/1079274859.db2.gz YXGKFQWWMLTLFD-FKEBYFGASA-N 1 0 400.519 2.362 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H](N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)CO1 ZINC001169399292 1079272439 /nfs/dbraw/zinc/27/24/39/1079272439.db2.gz VYIWVNXUDVRYNP-CRSSMBPESA-N 1 0 404.555 2.167 20 0 HEADRO 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O=C(CC[NH+]1CCN(c2ccccn2)CC1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000771642663 1079420089 /nfs/dbraw/zinc/42/00/89/1079420089.db2.gz YBZYKLCEOTWNBO-NRFANRHFSA-N 1 0 412.509 2.457 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2C[NH2+]C2CCC(S(C)(=O)=O)CC2)C1 ZINC001169851820 1079447288 /nfs/dbraw/zinc/44/72/88/1079447288.db2.gz LNHNUWIUJYFCPK-QEFFHFBBSA-N 1 0 416.584 2.204 20 0 HEADRO CS(=O)(=O)C1CCC([N@@H+]2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)CC1 ZINC001169879577 1079453204 /nfs/dbraw/zinc/45/32/04/1079453204.db2.gz DXOHNHVDYLHWJT-AWUBQHKLSA-N 1 0 412.596 2.082 20 0 HEADRO CS(=O)(=O)C1CCC([N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)CC1 ZINC001169884541 1079458394 /nfs/dbraw/zinc/45/83/94/1079458394.db2.gz GSFVANWVEDGQIF-GRERDSQWSA-N 1 0 405.564 2.252 20 0 HEADRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cccc(N(CC)CCOC)n3)CC2)n1 ZINC001169862085 1079461143 /nfs/dbraw/zinc/46/11/43/1079461143.db2.gz DETDGRDYFQHLHM-UHFFFAOYSA-N 1 0 416.526 2.229 20 0 HEADRO O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)NN1C(=O)NC2(CCCCC2)C1=O ZINC001169873345 1079465357 /nfs/dbraw/zinc/46/53/57/1079465357.db2.gz UGJVOLHMRCBSOY-RCCFBDPRSA-N 1 0 420.554 2.068 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NC(=O)CN3CCCCC3=O)c2)CC1 ZINC001169905213 1079471535 /nfs/dbraw/zinc/47/15/35/1079471535.db2.gz QMVVCCVCULHTSO-UHFFFAOYSA-N 1 0 417.510 2.090 20 0 HEADRO CCOc1cc([C@@H](CS(C)(=O)=O)[NH2+][C@H]2CCCC3(C2)OCCO3)ccc1OC ZINC001169910411 1079473764 /nfs/dbraw/zinc/47/37/64/1079473764.db2.gz UQEQTOOGSKWWNX-DLBZAZTESA-N 1 0 413.536 2.455 20 0 HEADRO C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001169914069 1079476367 /nfs/dbraw/zinc/47/63/67/1079476367.db2.gz YOKHFFITGGCBDS-SJORKVTESA-N 1 0 423.513 2.096 20 0 HEADRO COC(=O)[C@](C)(NC(=O)C[N@H+](C)[C@H]1CCSC1)c1cccc(Br)c1 ZINC000766881115 1079476784 /nfs/dbraw/zinc/47/67/84/1079476784.db2.gz UHCWDMUOZZKEKN-WMLDXEAASA-N 1 0 415.353 2.391 20 0 HEADRO FC(F)(F)c1ncc([C@@H](C[NH2+][C@@H]2CCCC3(C2)OCCO3)N2CCOCC2)cn1 ZINC001169916081 1079477061 /nfs/dbraw/zinc/47/70/61/1079477061.db2.gz KOIIUQHEMPQAOH-HZPDHXFCSA-N 1 0 416.444 2.144 20 0 HEADRO CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000737306491 1075904508 /nfs/dbraw/zinc/90/45/08/1075904508.db2.gz VEZXNEYZOQYHIR-NYHFZMIOSA-N 1 0 422.545 2.208 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)C3CC3)cc2Cl)CC1 ZINC000737308012 1075904517 /nfs/dbraw/zinc/90/45/17/1075904517.db2.gz VLCNXQFTDAYTEC-NRFANRHFSA-N 1 0 422.957 2.088 20 0 HEADRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000737683223 1075919460 /nfs/dbraw/zinc/91/94/60/1075919460.db2.gz CJHWYJKCXNGWPS-UHFFFAOYSA-N 1 0 422.533 2.290 20 0 HEADRO COc1cccc(/C=C(\C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n2nnnc2C)c1 ZINC000737690894 1075919798 /nfs/dbraw/zinc/91/97/98/1075919798.db2.gz FSQBMRTZXVCMEG-SRMPHAGFSA-N 1 0 410.522 2.465 20 0 HEADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000737693731 1075920216 /nfs/dbraw/zinc/92/02/16/1075920216.db2.gz ZMYQGSNYPGNAJR-XXBNENTESA-N 1 0 412.534 2.239 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 ZINC000737727218 1075925990 /nfs/dbraw/zinc/92/59/90/1075925990.db2.gz ADATWYJSKFIUOD-HSZRJFAPSA-N 1 0 422.529 2.469 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)COc2ccccc2C=O)CC1 ZINC000737729442 1075926804 /nfs/dbraw/zinc/92/68/04/1075926804.db2.gz XIMZBGXNPULCAQ-UHFFFAOYSA-N 1 0 411.502 2.167 20 0 HEADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000737816359 1075930825 /nfs/dbraw/zinc/93/08/25/1075930825.db2.gz IOORTYRWQZFDMG-GOSISDBHSA-N 1 0 417.485 2.286 20 0 HEADRO C[N@H+](CCN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1)Cc1ccccc1 ZINC000737836968 1075935760 /nfs/dbraw/zinc/93/57/60/1075935760.db2.gz GOFJUFVAUUJVDB-UHFFFAOYSA-N 1 0 422.508 2.296 20 0 HEADRO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1=O 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CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000738367072 1075999014 /nfs/dbraw/zinc/99/90/14/1075999014.db2.gz OSHBWSCTHNETPZ-UHFFFAOYSA-N 1 0 410.561 2.114 20 0 HEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000738517875 1075999307 /nfs/dbraw/zinc/99/93/07/1075999307.db2.gz ZMXOIFVFUJSJNY-UHFFFAOYSA-N 1 0 415.968 2.400 20 0 HEADRO O=C(CCNS(=O)(=O)/C=C\c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738549589 1076001321 /nfs/dbraw/zinc/00/13/21/1076001321.db2.gz SUEIYKHMDNUFGQ-JKALPCAWSA-N 1 0 405.564 2.444 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC000738482426 1076005044 /nfs/dbraw/zinc/00/50/44/1076005044.db2.gz HAJWZBNDGMSWRG-GDLZYMKVSA-N 1 0 424.611 2.006 20 0 HEADRO CCN(C(=O)NC[C@@H]1COC2(CCOCC2)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771778419 1079499217 /nfs/dbraw/zinc/49/92/17/1079499217.db2.gz PQPIYSAELBFSPI-WOJBJXKFSA-N 1 0 403.523 2.215 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NCCOc1ccc(C(C)C)cc1)CC2 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BADMHXRCIIVXMP-QGZVFWFLSA-N 1 0 403.523 2.482 20 0 HEADRO CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739089875 1076042991 /nfs/dbraw/zinc/04/29/91/1076042991.db2.gz QSNXXXKKGREAQD-UZUQRXQVSA-N 1 0 418.582 2.316 20 0 HEADRO O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000739120234 1076047054 /nfs/dbraw/zinc/04/70/54/1076047054.db2.gz QLHAXLDIPODLLV-NRFANRHFSA-N 1 0 422.529 2.312 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](CC)COC)cc2Cl)CC1 ZINC000739123594 1076047676 /nfs/dbraw/zinc/04/76/76/1076047676.db2.gz RZXAOMLJEKJQHW-HNNXBMFYSA-N 1 0 410.946 2.352 20 0 HEADRO CN1CC[NH+](CC2CCN(C(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739721811 1076078875 /nfs/dbraw/zinc/07/88/75/1076078875.db2.gz LOIGWUGQMHTFDA-RBUKOAKNSA-N 1 0 408.587 2.166 20 0 HEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC000144816514 1076079629 /nfs/dbraw/zinc/07/96/29/1076079629.db2.gz FMDLLWGDSASFSF-FQEVSTJZSA-N 1 0 411.506 2.033 20 0 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Cc1c(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1S(=O)(=O)NC(C)(C)C ZINC000740458926 1076181711 /nfs/dbraw/zinc/18/17/11/1076181711.db2.gz RKCVIEFLOOEUOT-JKSUJKDBSA-N 1 0 424.567 2.057 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](COC)C3)cc2Cl)CC1 ZINC000740508571 1076197744 /nfs/dbraw/zinc/19/77/44/1076197744.db2.gz XPAGXRQXXFTVMO-INIZCTEOSA-N 1 0 422.957 2.305 20 0 HEADRO CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000740513167 1076199301 /nfs/dbraw/zinc/19/93/01/1076199301.db2.gz REDOUNYMKCMCBF-MRXNPFEDSA-N 1 0 400.523 2.098 20 0 HEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000804260064 1076223030 /nfs/dbraw/zinc/22/30/30/1076223030.db2.gz APEZPWJXMBVZDO-RHSMWYFYSA-N 1 0 419.497 2.425 20 0 HEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000740686587 1076224461 /nfs/dbraw/zinc/22/44/61/1076224461.db2.gz UEOFUFYPUDVDAO-IBGZPJMESA-N 1 0 420.513 2.327 20 0 HEADRO C[NH+]1CCN(CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1 ZINC000740815221 1076262233 /nfs/dbraw/zinc/26/22/33/1076262233.db2.gz LIUVKHSHWHWJAZ-KRWDZBQOSA-N 1 0 410.946 2.269 20 0 HEADRO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000740879478 1076278906 /nfs/dbraw/zinc/27/89/06/1076278906.db2.gz LAIFOMVZVSEXGR-YQQAZPJKSA-N 1 0 411.543 2.022 20 0 HEADRO C[C@H]1C[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740880347 1076279743 /nfs/dbraw/zinc/27/97/43/1076279743.db2.gz XAJGPQFINUQZPM-PKOBYXMFSA-N 1 0 420.554 2.159 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C[C@@H]1C ZINC000740884297 1076284148 /nfs/dbraw/zinc/28/41/48/1076284148.db2.gz UBLDZJAJEOTUDO-PXNSSMCTSA-N 1 0 418.557 2.482 20 0 HEADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000740890890 1076291658 /nfs/dbraw/zinc/29/16/58/1076291658.db2.gz QUYHWCMIOZJAFG-UHFFFAOYSA-N 1 0 419.503 2.062 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000740899916 1076296767 /nfs/dbraw/zinc/29/67/67/1076296767.db2.gz VWJYMQDICWKQBV-CZUORRHYSA-N 1 0 403.957 2.263 20 0 HEADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)C2)CC1 ZINC000740917878 1076305088 /nfs/dbraw/zinc/30/50/88/1076305088.db2.gz SLPBNXQIPMJCEI-CXAGYDPISA-N 1 0 415.365 2.495 20 0 HEADRO Cc1noc2ncc(C(=O)O[C@@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000740952511 1076312261 /nfs/dbraw/zinc/31/22/61/1076312261.db2.gz ZZBGGXGVFBOOEA-YJBOKZPZSA-N 1 0 408.458 2.467 20 0 HEADRO CC[C@@H](C(=O)OCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)[NH+](CC)CC ZINC000741033246 1076332061 /nfs/dbraw/zinc/33/20/61/1076332061.db2.gz SCSAIABQERMKDI-SFHVURJKSA-N 1 0 419.570 2.221 20 0 HEADRO C[C@@](O)(CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccsc1 ZINC000741085980 1076350098 /nfs/dbraw/zinc/35/00/98/1076350098.db2.gz AMNWKKXLDPGZRN-OAQYLSRUSA-N 1 0 403.548 2.412 20 0 HEADRO C[NH+](C)CCCOc1ccc(NC(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 ZINC000741067808 1076351908 /nfs/dbraw/zinc/35/19/08/1076351908.db2.gz OXUWQFHOVSKLKB-IBGZPJMESA-N 1 0 401.511 2.405 20 0 HEADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000741072929 1076353857 /nfs/dbraw/zinc/35/38/57/1076353857.db2.gz LRXOISJWQARDQH-ZDUSSCGKSA-N 1 0 400.520 2.366 20 0 HEADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000741108479 1076361814 /nfs/dbraw/zinc/36/18/14/1076361814.db2.gz GXJGYORYRWHBFN-SFHVURJKSA-N 1 0 418.501 2.329 20 0 HEADRO COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)CC[N@@H+]2C)cc1 ZINC000741120153 1076379463 /nfs/dbraw/zinc/37/94/63/1076379463.db2.gz AZWATQDWUHFARP-DNVCBOLYSA-N 1 0 421.519 2.123 20 0 HEADRO CCc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nnn1-c1ccc(OC(C)C)cc1 ZINC000741209275 1076404273 /nfs/dbraw/zinc/40/42/73/1076404273.db2.gz IXNVZICJOBXREX-MJGOQNOKSA-N 1 0 413.522 2.210 20 0 HEADRO Cc1ccc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c(C[NH+](C)C)c1 ZINC000741216370 1076407485 /nfs/dbraw/zinc/40/74/85/1076407485.db2.gz SYVNKHNXLOVDES-UHFFFAOYSA-N 1 0 404.511 2.074 20 0 HEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000741220441 1076409841 /nfs/dbraw/zinc/40/98/41/1076409841.db2.gz QYJWBORBDUHWMJ-KRWDZBQOSA-N 1 0 424.586 2.083 20 0 HEADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCN(CC[S@@](C)=O)CC2)c1 ZINC000741290407 1076459599 /nfs/dbraw/zinc/45/95/99/1076459599.db2.gz FOVNXOOCBJFSIW-GDLZYMKVSA-N 1 0 413.587 2.455 20 0 HEADRO CNC(=O)[C@H](NC(=O)COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000741318192 1076466078 /nfs/dbraw/zinc/46/60/78/1076466078.db2.gz MESOULPPCKLODF-IFMALSPDSA-N 1 0 423.513 2.045 20 0 HEADRO C[C@H](OC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000741331036 1076478632 /nfs/dbraw/zinc/47/86/32/1076478632.db2.gz OADYGNOBAVQOMG-AWEZNQCLSA-N 1 0 408.462 2.135 20 0 HEADRO CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000741333879 1076479971 /nfs/dbraw/zinc/47/99/71/1076479971.db2.gz 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CC(C)(C)OC(=O)NC[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000741412577 1076514579 /nfs/dbraw/zinc/51/45/79/1076514579.db2.gz SMERKSTXNPZIPE-QZTJIDSGSA-N 1 0 410.559 2.232 20 0 HEADRO COCCOc1ccc(-n2nc(C)c(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)n2)cc1 ZINC000741592571 1076548824 /nfs/dbraw/zinc/54/88/24/1076548824.db2.gz SUXXCPBINHTSOX-MAUKXSAKSA-N 1 0 401.511 2.156 20 0 HEADRO COCC[N@H+](C)CCNC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 ZINC000741680673 1076584498 /nfs/dbraw/zinc/58/44/98/1076584498.db2.gz KOCKURNEAYMZTO-UHFFFAOYSA-N 1 0 405.539 2.003 20 0 HEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)C1 ZINC000741689110 1076587250 /nfs/dbraw/zinc/58/72/50/1076587250.db2.gz OCNRIOXUKZTCAR-FQEVSTJZSA-N 1 0 417.550 2.145 20 0 HEADRO CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2=O)cc1 ZINC000741689740 1076587955 /nfs/dbraw/zinc/58/79/55/1076587955.db2.gz FSCDOOPWHOWIQE-KNQAVFIVSA-N 1 0 412.578 2.448 20 0 HEADRO CCc1nc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)nn1-c1ccccc1F ZINC000741691597 1076588016 /nfs/dbraw/zinc/58/80/16/1076588016.db2.gz AUVGYTQATGBRQF-INIZCTEOSA-N 1 0 401.486 2.342 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000741691615 1076588166 /nfs/dbraw/zinc/58/81/66/1076588166.db2.gz NSLUJDRQIRZDDU-GUDVDZBRSA-N 1 0 410.603 2.460 20 0 HEADRO CC(C)c1ccc(N2CC[C@H](C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000741691209 1076588205 /nfs/dbraw/zinc/58/82/05/1076588205.db2.gz KMHUYEPDKKWBLE-WIYYLYMNSA-N 1 0 400.567 2.163 20 0 HEADRO C[NH+](C)C1(CNC(=O)C2CCN(C(=O)c3cccnc3)CC2)Cc2ccccc2C1 ZINC000741708149 1076600398 /nfs/dbraw/zinc/60/03/98/1076600398.db2.gz OCIPORUOMNYJLT-UHFFFAOYSA-N 1 0 406.530 2.149 20 0 HEADRO Cc1ccc(N(C(=O)CN2CC[C@H]([NH+]3CCCC3)C2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000741753803 1076620433 /nfs/dbraw/zinc/62/04/33/1076620433.db2.gz BVPQYRWDYBGDIV-SFTDATJTSA-N 1 0 417.575 2.117 20 0 HEADRO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741779579 1076624289 /nfs/dbraw/zinc/62/42/89/1076624289.db2.gz LRIMUUZANKGXLF-QZTJIDSGSA-N 1 0 408.587 2.308 20 0 HEADRO CN(CC1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000741778888 1076624748 /nfs/dbraw/zinc/62/47/48/1076624748.db2.gz GLGVAILOPWAHSH-UHFFFAOYSA-N 1 0 408.543 2.430 20 0 HEADRO C[C@@H](C1CC1)n1nccc1NC(=O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000741787207 1076626676 /nfs/dbraw/zinc/62/66/76/1076626676.db2.gz ILFAFCKXJHLFRQ-KRWDZBQOSA-N 1 0 409.534 2.451 20 0 HEADRO CNC(=O)[C@@H](NC(=O)C[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000741790503 1076628793 /nfs/dbraw/zinc/62/87/93/1076628793.db2.gz FFYPWINVOOHVBZ-UNMCSNQZSA-N 1 0 415.509 2.421 20 0 HEADRO C[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)[C@H]1C ZINC000741791156 1076629333 /nfs/dbraw/zinc/62/93/33/1076629333.db2.gz QFOIMJFWFKKZHA-WFNWROLRSA-N 1 0 405.564 2.252 20 0 HEADRO C[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)[C@H]1C ZINC000741791150 1076629512 /nfs/dbraw/zinc/62/95/12/1076629512.db2.gz QFOIMJFWFKKZHA-LWUPMFFHSA-N 1 0 405.564 2.252 20 0 HEADRO CC(C)C[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)C[C@@H](O)c1ccc(F)cc1 ZINC000741790774 1076629909 /nfs/dbraw/zinc/62/99/09/1076629909.db2.gz KLJRRRSMVHRHAL-YLJYHZDGSA-N 1 0 407.530 2.334 20 0 HEADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC4(C3)CCCCC4)C2=O)c1 ZINC000741808345 1076633840 /nfs/dbraw/zinc/63/38/40/1076633840.db2.gz QZDFHRBMODLPCC-NRFANRHFSA-N 1 0 414.506 2.150 20 0 HEADRO Cc1cccc(C2(O)CC[NH+]([C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)CC2)c1C ZINC000741808075 1076633938 /nfs/dbraw/zinc/63/39/38/1076633938.db2.gz HIAURZCJKFZWLJ-FQEVSTJZSA-N 1 0 423.561 2.114 20 0 HEADRO Cc1ccc(N2C[C@H](C(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)CC2=O)cc1F ZINC000741944574 1076688572 /nfs/dbraw/zinc/68/85/72/1076688572.db2.gz LIAAEMLHGKIAOF-MRXNPFEDSA-N 1 0 412.465 2.286 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000742057876 1076720401 /nfs/dbraw/zinc/72/04/01/1076720401.db2.gz VUWZKWGOFVNVFT-UHFFFAOYSA-N 1 0 420.579 2.084 20 0 HEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)C1 ZINC000742058156 1076721103 /nfs/dbraw/zinc/72/11/03/1076721103.db2.gz POIYEQWCDABYJO-KRWDZBQOSA-N 1 0 420.579 2.084 20 0 HEADRO CN(C)S(=O)(=O)c1ccc2oc(=S)n(CN3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000742163569 1076760760 /nfs/dbraw/zinc/76/07/60/1076760760.db2.gz UQMGJLUXROWDMI-AWEZNQCLSA-N 1 0 408.549 2.118 20 0 HEADRO C[NH+]1CCC2(CC1)NC(=O)N(CN(Cc1ccc(F)cc1)CC(F)(F)F)C2=O ZINC000742172471 1076763989 /nfs/dbraw/zinc/76/39/89/1076763989.db2.gz ONXSJWILQCIFSQ-UHFFFAOYSA-N 1 0 402.392 2.164 20 0 HEADRO CCCCc1ccc(-n2nnn(CN3CC[NH+](CC(C)(C)O)CC3)c2=S)cc1 ZINC000742151459 1076767361 /nfs/dbraw/zinc/76/73/61/1076767361.db2.gz UKWRCULRGGNZMD-UHFFFAOYSA-N 1 0 404.584 2.487 20 0 HEADRO Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCC12CC[NH+](C)CC2 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/nfs/dbraw/zinc/81/29/20/1076812920.db2.gz IKPIQRSHYORVPT-RISCZKNCSA-N 1 0 419.341 2.196 20 0 HEADRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742310050 1076814617 /nfs/dbraw/zinc/81/46/17/1076814617.db2.gz WVMXQHPBTMAXBL-MOPGFXCFSA-N 1 0 409.552 2.143 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000742282492 1076815323 /nfs/dbraw/zinc/81/53/23/1076815323.db2.gz JPFWRJOUSPPJIX-IYBDPMFKSA-N 1 0 403.589 2.283 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000742284394 1076816017 /nfs/dbraw/zinc/81/60/17/1076816017.db2.gz WXSOACVTZDFIKV-LJQANCHMSA-N 1 0 423.579 2.439 20 0 HEADRO CN(CC[NH+]1CCCC1)S(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742290273 1076818523 /nfs/dbraw/zinc/81/85/23/1076818523.db2.gz KXXSMVAHCZOLIU-FQEVSTJZSA-N 1 0 423.579 2.393 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000742290310 1076818530 /nfs/dbraw/zinc/81/85/30/1076818530.db2.gz UERVAMWSDKAFCF-PMACEKPBSA-N 1 0 421.563 2.288 20 0 HEADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742295045 1076820033 /nfs/dbraw/zinc/82/00/33/1076820033.db2.gz QFYXCALLMZYTAH-UXHICEINSA-N 1 0 421.563 2.286 20 0 HEADRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cnc2ccc(Br)cn12)C(F)(F)F ZINC000742370766 1076834639 /nfs/dbraw/zinc/83/46/39/1076834639.db2.gz MARKSYZFNFJYRB-AWEZNQCLSA-N 1 0 418.217 2.370 20 0 HEADRO C[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[NH+]1CCC(C)CC1 ZINC000742401870 1076837857 /nfs/dbraw/zinc/83/78/57/1076837857.db2.gz WUDSBHVQCZYTGK-CQSZACIVSA-N 1 0 401.960 2.441 20 0 HEADRO Cc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)[NH+](C)C)cc1 ZINC000742402175 1076837904 /nfs/dbraw/zinc/83/79/04/1076837904.db2.gz STSZYSFPUQOCNK-IBGZPJMESA-N 1 0 407.511 2.417 20 0 HEADRO Cc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)[NH+](C)C)cc1 ZINC000742402147 1076837913 /nfs/dbraw/zinc/83/79/13/1076837913.db2.gz QXYAHDYKHDUXAY-YKSBVNFPSA-N 1 0 420.513 2.107 20 0 HEADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)c1ccco1 ZINC000742403199 1076838092 /nfs/dbraw/zinc/83/80/92/1076838092.db2.gz SVLOZJRFOKXPMA-QGZVFWFLSA-N 1 0 411.499 2.482 20 0 HEADRO Cn1ncc2c1nc(CCC(=O)NC[C@@H]1CCC[N@H+](Cc3ccccc3)C1)[nH]c2=O ZINC000742484535 1076846772 /nfs/dbraw/zinc/84/67/72/1076846772.db2.gz IEGVBQOXIYJBGR-KRWDZBQOSA-N 1 0 408.506 2.030 20 0 HEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)COc1ccc(C=O)cc1Br ZINC000742643274 1076860911 /nfs/dbraw/zinc/86/09/11/1076860911.db2.gz XRFXCRVUUJKGJZ-HNNXBMFYSA-N 1 0 413.312 2.210 20 0 HEADRO CC[NH+]1CCN(CCNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742670035 1076862796 /nfs/dbraw/zinc/86/27/96/1076862796.db2.gz QFKLQRCOXIHALB-IBGZPJMESA-N 1 0 404.555 2.049 20 0 HEADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742669969 1076862935 /nfs/dbraw/zinc/86/29/35/1076862935.db2.gz OSRLPDIHVAIEJE-QUCCMNQESA-N 1 0 418.582 2.437 20 0 HEADRO C[C@@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000742671758 1076863539 /nfs/dbraw/zinc/86/35/39/1076863539.db2.gz YFNWIQUSBSNWIZ-AZUAARDMSA-N 1 0 418.582 2.295 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C1 ZINC000742793337 1076880131 /nfs/dbraw/zinc/88/01/31/1076880131.db2.gz MJNRRCUBBJDUEX-GBXCKJPGSA-N 1 0 420.513 2.187 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000742867911 1076890259 /nfs/dbraw/zinc/89/02/59/1076890259.db2.gz OKJZAGAIVVVNNJ-MRXNPFEDSA-N 1 0 411.543 2.414 20 0 HEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000742902559 1076895218 /nfs/dbraw/zinc/89/52/18/1076895218.db2.gz YJEWFBLVRCVNEC-QGZVFWFLSA-N 1 0 408.506 2.396 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)C1 ZINC000742915096 1076896928 /nfs/dbraw/zinc/89/69/28/1076896928.db2.gz CCXOJFLAZRJLFQ-QGZVFWFLSA-N 1 0 401.511 2.015 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000742916168 1076897162 /nfs/dbraw/zinc/89/71/62/1076897162.db2.gz VHEJXIWVCRQWNT-INIZCTEOSA-N 1 0 411.543 2.414 20 0 HEADRO NC(=O)C1CC[NH+](CCCNC(=S)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000742984005 1076913238 /nfs/dbraw/zinc/91/32/38/1076913238.db2.gz GZXGMMCESNRIMP-UHFFFAOYSA-N 1 0 418.485 2.137 20 0 HEADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=S)N[C@H]2CCc3ccccc3C2)c1 ZINC000742995208 1076916679 /nfs/dbraw/zinc/91/66/79/1076916679.db2.gz SJVNDSMTDZUKPM-NRFANRHFSA-N 1 0 410.587 2.500 20 0 HEADRO COc1ccc(Cl)c(NC(=S)NNC2=[NH+]CC3=CNN(C(C)(C)C)C3=N2)c1 ZINC000742999789 1076917230 /nfs/dbraw/zinc/91/72/30/1076917230.db2.gz SRTOFFUUWPYYBT-UHFFFAOYSA-N 1 0 407.931 2.410 20 0 HEADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743112064 1076960692 /nfs/dbraw/zinc/96/06/92/1076960692.db2.gz BOORVWBCYKXWCG-BQFCYCMXSA-N 1 0 419.522 2.222 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)NC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)cc2)CCO1 ZINC000743174896 1076989082 /nfs/dbraw/zinc/98/90/82/1076989082.db2.gz WJPBGHLSOQYFNE-WZONZLPQSA-N 1 0 424.545 2.452 20 0 HEADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743203468 1076994881 /nfs/dbraw/zinc/99/48/81/1076994881.db2.gz FQMULXSTUQZPCF-UHFFFAOYSA-N 1 0 407.540 2.090 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 ZINC000743206476 1076998482 /nfs/dbraw/zinc/99/84/82/1076998482.db2.gz LNZOOQSTXSHHJI-UHFFFAOYSA-N 1 0 419.551 2.022 20 0 HEADRO CS(=O)(=O)CCn1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000743206130 1076999168 /nfs/dbraw/zinc/99/91/68/1076999168.db2.gz CODDVVBRECDVOZ-UHFFFAOYSA-N 1 0 419.551 2.235 20 0 HEADRO C[C@@H]1CCN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC[N@@H+]1Cc1ccccc1 ZINC000743209355 1077001167 /nfs/dbraw/zinc/00/11/67/1077001167.db2.gz VFRPBLQKCNTAPJ-QGZVFWFLSA-N 1 0 419.551 2.056 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccn(CCc4ccncc4)n3)CC2)c1 ZINC000743188353 1077002495 /nfs/dbraw/zinc/00/24/95/1077002495.db2.gz NCLNAINIHFKJFF-UHFFFAOYSA-N 1 0 407.478 2.279 20 0 HEADRO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000743220627 1077006301 /nfs/dbraw/zinc/00/63/01/1077006301.db2.gz IROINGREQPNFSN-HZPDHXFCSA-N 1 0 404.511 2.364 20 0 HEADRO COc1ccc(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1N1CCOC1=O ZINC000743231085 1077008247 /nfs/dbraw/zinc/00/82/47/1077008247.db2.gz ZTISLMYXNLULSB-GASCZTMLSA-N 1 0 406.483 2.273 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)CC1 ZINC000743232462 1077008465 /nfs/dbraw/zinc/00/84/65/1077008465.db2.gz GNSYIJARUUFZMJ-MRXNPFEDSA-N 1 0 419.526 2.047 20 0 HEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000743237651 1077011406 /nfs/dbraw/zinc/01/14/06/1077011406.db2.gz LCJMBAVZNUUOSC-HNNXBMFYSA-N 1 0 415.943 2.369 20 0 HEADRO CC[NH+](CC)CC(=O)N1CCN(Cn2nc(CCc3ccccc3)oc2=S)CC1 ZINC000743362305 1077032157 /nfs/dbraw/zinc/03/21/57/1077032157.db2.gz MHIOJDMIVNCAMJ-UHFFFAOYSA-N 1 0 417.579 2.434 20 0 HEADRO C[C@@H]1CN(CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C[C@H](C)S1 ZINC000743376006 1077044110 /nfs/dbraw/zinc/04/41/10/1077044110.db2.gz IPTIYOCGPBUNRQ-FVJLSDCUSA-N 1 0 402.564 2.356 20 0 HEADRO C[C@@H]1CCN(Cn2nc(N3CCOCC3)n(C)c2=S)CC[N@@H+]1Cc1ccccc1 ZINC000743406233 1077047516 /nfs/dbraw/zinc/04/75/16/1077047516.db2.gz PQLVHKDOXOVSBE-GOSISDBHSA-N 1 0 416.595 2.342 20 0 HEADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2)c1ccc2c(c1)CC(=O)N2C ZINC000743474116 1077056970 /nfs/dbraw/zinc/05/69/70/1077056970.db2.gz IJNFVSCPOWRITK-CVEARBPZSA-N 1 0 423.513 2.375 20 0 HEADRO Cc1cc([C@](C)(O)CNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000743544142 1077065996 /nfs/dbraw/zinc/06/59/96/1077065996.db2.gz REQWSAKOHWZDJO-HSZRJFAPSA-N 1 0 414.550 2.221 20 0 HEADRO Cc1nccn1-c1ccc(CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cn1 ZINC000743549485 1077067177 /nfs/dbraw/zinc/06/71/77/1077067177.db2.gz XHVPOEAMWDRWOX-UHFFFAOYSA-N 1 0 404.518 2.474 20 0 HEADRO CC(C)[C@H](C[NH+](C)C)NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000743588323 1077073249 /nfs/dbraw/zinc/07/32/49/1077073249.db2.gz YVXVAQBXOXRKDV-WMZHIEFXSA-N 1 0 410.518 2.309 20 0 HEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000743672401 1077086967 /nfs/dbraw/zinc/08/69/67/1077086967.db2.gz JKQMSLUUVMGYKZ-MJGOQNOKSA-N 1 0 419.570 2.188 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1 ZINC000743783544 1077112603 /nfs/dbraw/zinc/11/26/03/1077112603.db2.gz CMMMLUODULXDSB-CQSZACIVSA-N 1 0 422.576 2.102 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000743764201 1077117418 /nfs/dbraw/zinc/11/74/18/1077117418.db2.gz BEKCTPOANCBTOZ-AUSIDOKSSA-N 1 0 417.550 2.387 20 0 HEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000743764718 1077117817 /nfs/dbraw/zinc/11/78/17/1077117817.db2.gz DTUGHGZUFTXUNR-HXUWFJFHSA-N 1 0 400.479 2.358 20 0 HEADRO 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OPRLWDPOKVUDQQ-HUUCEWRRSA-N 1 0 416.453 2.252 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2cc(C(=O)OC)sc2C)CC1=O ZINC000785651230 1080100013 /nfs/dbraw/zinc/10/00/13/1080100013.db2.gz UHAJOLNHMIHWIA-GDBMZVCRSA-N 1 0 408.520 2.219 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C(=O)OC)c2cccc(Cl)c2)CC1=O ZINC000785652267 1080104558 /nfs/dbraw/zinc/10/45/58/1080104558.db2.gz IPSOXKQGNJKFNS-WDYCEAGBSA-N 1 0 422.909 2.430 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O ZINC000785652064 1080104718 /nfs/dbraw/zinc/10/47/18/1080104718.db2.gz KNQGCDIDYLGODE-RHSMWYFYSA-N 1 0 407.898 2.155 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)C2CCC(F)(F)CC2)CC1=O ZINC000785652134 1080105990 /nfs/dbraw/zinc/10/59/90/1080105990.db2.gz XGRYTTYSGFUASU-JKSUJKDBSA-N 1 0 400.466 2.257 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)c2cccc(OC(F)F)c2)CC1=O ZINC000785651905 1080106005 /nfs/dbraw/zinc/10/60/05/1080106005.db2.gz HQPGOLRHWJTQDZ-JKSUJKDBSA-N 1 0 424.444 2.347 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2cc(Cl)c3c(c2)OCCO3)CC1=O ZINC000785653983 1080111793 /nfs/dbraw/zinc/11/17/93/1080111793.db2.gz PTWZRPSPBWAFBH-HOTGVXAUSA-N 1 0 422.909 2.487 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H](N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170048640 1080120816 /nfs/dbraw/zinc/12/08/16/1080120816.db2.gz RDHGFYRLOYQVTO-SQNIBIBYSA-N 1 0 424.611 2.067 20 0 HEADRO Cn1ccnc1[C@@H]1CCCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000767835351 1080151423 /nfs/dbraw/zinc/15/14/23/1080151423.db2.gz KFIGCVHCNVSUAH-NHCUHLMSSA-N 1 0 410.566 2.298 20 0 HEADRO COc1ncccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000785658458 1080179446 /nfs/dbraw/zinc/17/94/46/1080179446.db2.gz HKTCOHMBKFQYAY-GOSISDBHSA-N 1 0 418.538 2.382 20 0 HEADRO COCCN(CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)OC(C)(C)C ZINC000767866247 1080190024 /nfs/dbraw/zinc/19/00/24/1080190024.db2.gz LSCLHRIRPBDAAW-UHFFFAOYSA-N 1 0 404.471 2.272 20 0 HEADRO C[C@H]1CCC[N@H+](CCNC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000767843465 1080195341 /nfs/dbraw/zinc/19/53/41/1080195341.db2.gz MFUSBILRSKZOKE-OOKSDGMUSA-N 1 0 407.555 2.297 20 0 HEADRO CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccn1 ZINC000767880962 1080198796 /nfs/dbraw/zinc/19/87/96/1080198796.db2.gz FBFOMJHFXZSDGD-IBGZPJMESA-N 1 0 418.538 2.433 20 0 HEADRO COC(=O)C1=C(COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000785730382 1080203967 /nfs/dbraw/zinc/20/39/67/1080203967.db2.gz GJULUJVHZKTBLU-MDOVXXIYSA-N 1 0 415.490 2.226 20 0 HEADRO COC(=O)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000767873529 1080212298 /nfs/dbraw/zinc/21/22/98/1080212298.db2.gz DORFFPRYRZFYMF-AUUYWEPGSA-N 1 0 407.488 2.026 20 0 HEADRO COc1cc(C[NH2+]C[C@@H](O)c2cccc(C)c2)ccc1OCC(=O)N1CCOCC1 ZINC000767925980 1080219610 /nfs/dbraw/zinc/21/96/10/1080219610.db2.gz GQMNNWSPTQDVMS-HXUWFJFHSA-N 1 0 414.502 2.064 20 0 HEADRO O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785713393 1080221354 /nfs/dbraw/zinc/22/13/54/1080221354.db2.gz LTKGZUIFFIHHDV-QGZVFWFLSA-N 1 0 414.424 2.211 20 0 HEADRO O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785712954 1080222071 /nfs/dbraw/zinc/22/20/71/1080222071.db2.gz VPUMNPKGOWGEKZ-UHFFFAOYSA-N 1 0 413.499 2.317 20 0 HEADRO O=C(COC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)NCc1cccs1 ZINC000785714149 1080222596 /nfs/dbraw/zinc/22/25/96/1080222596.db2.gz WQSUBAWCXHEPBT-UHFFFAOYSA-N 1 0 402.516 2.426 20 0 HEADRO O=C(COC(=O)c1cccc(C[NH+]2CCCC2)c1)CN1C(=O)c2ccccc2C1=O ZINC000785716420 1080223784 /nfs/dbraw/zinc/22/37/84/1080223784.db2.gz YHLGVMKBBLMYOS-UHFFFAOYSA-N 1 0 406.438 2.305 20 0 HEADRO CC(C)(C)OC(=O)N(CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000767936576 1080230766 /nfs/dbraw/zinc/23/07/66/1080230766.db2.gz ABYNMNHCAQMZRU-QGZVFWFLSA-N 1 0 418.538 2.132 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000767940515 1080233892 /nfs/dbraw/zinc/23/38/92/1080233892.db2.gz ROSHGGQTWOEKNT-MOPGFXCFSA-N 1 0 424.586 2.453 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000767946676 1080237410 /nfs/dbraw/zinc/23/74/10/1080237410.db2.gz WQWVXEILWPPIHU-QYZOEREBSA-N 1 0 424.586 2.453 20 0 HEADRO O=C(NCC[S@](=O)Cc1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000767949187 1080238780 /nfs/dbraw/zinc/23/87/80/1080238780.db2.gz BKPTXEVVAYJVBH-HNPLUWAHSA-N 1 0 407.580 2.002 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000785770025 1080239380 /nfs/dbraw/zinc/23/93/80/1080239380.db2.gz VPLTWRHGOLFFEP-MSOLQXFVSA-N 1 0 417.554 2.392 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000767951133 1080240070 /nfs/dbraw/zinc/24/00/70/1080240070.db2.gz JQBLOVLKUOCCLU-VQTJNVASSA-N 1 0 418.538 2.475 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000767952452 1080240458 /nfs/dbraw/zinc/24/04/58/1080240458.db2.gz RDPXSVWZCIKXBP-OALUTQOASA-N 1 0 404.511 2.084 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000767952451 1080240494 /nfs/dbraw/zinc/24/04/94/1080240494.db2.gz RDPXSVWZCIKXBP-MOPGFXCFSA-N 1 0 404.511 2.084 20 0 HEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@@H]3COc4ccccc43)CC2)cc1 ZINC000785775757 1080240888 /nfs/dbraw/zinc/24/08/88/1080240888.db2.gz NMMAIOPNPWVTFO-OAQYLSRUSA-N 1 0 424.497 2.449 20 0 HEADRO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000767969524 1080240845 /nfs/dbraw/zinc/24/08/45/1080240845.db2.gz MLEPXRPQCWTTIM-DLBZAZTESA-N 1 0 421.542 2.090 20 0 HEADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2ccc3c(c2)NC(=O)C3)CC1 ZINC000785781274 1080242816 /nfs/dbraw/zinc/24/28/16/1080242816.db2.gz OUQXWBXSZZOEKX-UHFFFAOYSA-N 1 0 421.497 2.381 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000785807719 1080252501 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KNYAQSDFBYDOMV-SNVBAGLBSA-N 1 0 403.708 2.427 20 0 HEADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[NH+](C)C ZINC000785857148 1080284343 /nfs/dbraw/zinc/28/43/43/1080284343.db2.gz OKAPVSJXSAEMGA-HBGVWJBISA-N 1 0 407.518 2.223 20 0 HEADRO O=C(Nc1ccn(Cc2ccncc2)n1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000768054057 1080296456 /nfs/dbraw/zinc/29/64/56/1080296456.db2.gz FODARSVAKPDKFJ-UHFFFAOYSA-N 1 0 424.549 2.426 20 0 HEADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)[NH+](C)C ZINC000786024366 1080339628 /nfs/dbraw/zinc/33/96/28/1080339628.db2.gz DNWZGRICGBXUDI-UZLBHIALSA-N 1 0 406.490 2.322 20 0 HEADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1)[NH+](C)C ZINC000786026161 1080340074 /nfs/dbraw/zinc/34/00/74/1080340074.db2.gz SIWGKOADMICUNH-JXFKEZNVSA-N 1 0 406.490 2.322 20 0 HEADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2)n1)[NH+](C)C ZINC000786026218 1080340636 /nfs/dbraw/zinc/34/06/36/1080340636.db2.gz SQOVMXPNKCWVKZ-UZLBHIALSA-N 1 0 406.490 2.322 20 0 HEADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)C2)CC1 ZINC000768105819 1080341205 /nfs/dbraw/zinc/34/12/05/1080341205.db2.gz VDNGBBXERBAJPO-QGZVFWFLSA-N 1 0 417.554 2.005 20 0 HEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768149579 1080356527 /nfs/dbraw/zinc/35/65/27/1080356527.db2.gz SHHBMTYVMOLDTC-HQSKLWIPSA-N 1 0 407.555 2.439 20 0 HEADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000768137446 1080368698 /nfs/dbraw/zinc/36/86/98/1080368698.db2.gz FQDOYIDRKIYYKT-LLVKDONJSA-N 1 0 401.692 2.133 20 0 HEADRO CO[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[C@H]1C ZINC000786005849 1080369156 /nfs/dbraw/zinc/36/91/56/1080369156.db2.gz XTQKICALWJYWJD-UTKZUKDTSA-N 1 0 416.566 2.287 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170054631 1080376394 /nfs/dbraw/zinc/37/63/94/1080376394.db2.gz IFHRFRZZCWZXGG-HZMVEIRTSA-N 1 0 423.579 2.198 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC)ccc2F)C1 ZINC000746569658 1080379945 /nfs/dbraw/zinc/37/99/45/1080379945.db2.gz MEQMHOREDLGVHT-HNNXBMFYSA-N 1 0 400.516 2.192 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)C1 ZINC000746571218 1080382203 /nfs/dbraw/zinc/38/22/03/1080382203.db2.gz ULIPAKSRXLULKS-HKUYNNGSSA-N 1 0 405.514 2.446 20 0 HEADRO COc1cc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC(C)C ZINC000768174492 1080385483 /nfs/dbraw/zinc/38/54/83/1080385483.db2.gz QCPGJBUTDQPTMS-SFHVURJKSA-N 1 0 419.522 2.181 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000768174199 1080386087 /nfs/dbraw/zinc/38/60/87/1080386087.db2.gz NEYQTDOFIKSBNM-QGZVFWFLSA-N 1 0 424.549 2.134 20 0 HEADRO C[C@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786095398 1080391245 /nfs/dbraw/zinc/39/12/45/1080391245.db2.gz DHOZDXTXSBQGMP-OALUTQOASA-N 1 0 410.555 2.276 20 0 HEADRO CN1CC[N@H+](CCCNC(=O)N[C@@H]2CCCC3(C2)OCCO3)[C@H](c2ccccc2)C1 ZINC000768201943 1080391246 /nfs/dbraw/zinc/39/12/46/1080391246.db2.gz MHPIVDVNDSQENJ-RTWAWAEBSA-N 1 0 416.566 2.350 20 0 HEADRO COC(=O)c1ccc(C)c(NC(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)c1 ZINC000786098069 1080393860 /nfs/dbraw/zinc/39/38/60/1080393860.db2.gz VMXJWUHCBQSOTO-UHFFFAOYSA-N 1 0 418.490 2.298 20 0 HEADRO C[C@@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000786099288 1080394633 /nfs/dbraw/zinc/39/46/33/1080394633.db2.gz UDFFAQGXPBTCSJ-OAHLLOKOSA-N 1 0 404.463 2.321 20 0 HEADRO Cc1cccc(C)c1OCCNC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786099903 1080395267 /nfs/dbraw/zinc/39/52/67/1080395267.db2.gz WUYIDSNGWSYEHZ-UHFFFAOYSA-N 1 0 418.534 2.377 20 0 HEADRO CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000768205459 1080395780 /nfs/dbraw/zinc/39/57/80/1080395780.db2.gz CVMLGDNTAHBJAH-RBUKOAKNSA-N 1 0 412.465 2.028 20 0 HEADRO COC(=O)[C@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)c1cc(OC)cc(OC)c1 ZINC000786101507 1080396496 /nfs/dbraw/zinc/39/64/96/1080396496.db2.gz SVALZCCITCNQNJ-HXUWFJFHSA-N 1 0 421.490 2.496 20 0 HEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000768193151 1080408353 /nfs/dbraw/zinc/40/83/53/1080408353.db2.gz WLGUKMZAKFGEGA-MWLCHTKSSA-N 1 0 403.708 2.425 20 0 HEADRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768195314 1080411362 /nfs/dbraw/zinc/41/13/62/1080411362.db2.gz BLAAVQMCDJRGJL-DYESRHJHSA-N 1 0 415.534 2.403 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1 ZINC001169989896 1080413880 /nfs/dbraw/zinc/41/38/80/1080413880.db2.gz JXOFJKFZFFAYSW-UHFFFAOYSA-N 1 0 400.475 2.275 20 0 HEADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@]2(O)CCc3ccccc3C2)cc1 ZINC000786144640 1080419838 /nfs/dbraw/zinc/41/98/38/1080419838.db2.gz PYUDMLPQFLMFTL-DEOSSOPVSA-N 1 0 407.514 2.371 20 0 HEADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768222925 1080425969 /nfs/dbraw/zinc/42/59/69/1080425969.db2.gz HLUOJMZNBDBRKH-CUWPLCDZSA-N 1 0 402.491 2.446 20 0 HEADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)C2=O)n(C)n1 ZINC000768227828 1080430911 /nfs/dbraw/zinc/43/09/11/1080430911.db2.gz HHAKMEMKGSTUQL-DOTOQJQBSA-N 1 0 405.543 2.459 20 0 HEADRO C[C@@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768229409 1080432942 /nfs/dbraw/zinc/43/29/42/1080432942.db2.gz LHJVOBCDJFDBJZ-ZJXIFLPPSA-N 1 0 401.507 2.011 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000786161001 1080434473 /nfs/dbraw/zinc/43/44/73/1080434473.db2.gz DEDDYQRHMDNMSN-DLBZAZTESA-N 1 0 411.955 2.206 20 0 HEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)CC1 ZINC000786120362 1080435948 /nfs/dbraw/zinc/43/59/48/1080435948.db2.gz CKGJTJTYCYHSOC-BEFAXECRSA-N 1 0 406.477 2.086 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cccc(Br)n2)CC1 ZINC000786137454 1080458629 /nfs/dbraw/zinc/45/86/29/1080458629.db2.gz YWFUDIUQRNJWQY-UHFFFAOYSA-N 1 0 405.300 2.313 20 0 HEADRO C[NH2+]CCN([C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001170055395 1080472873 /nfs/dbraw/zinc/47/28/73/1080472873.db2.gz NFBXJIJMKUEVHZ-HOTGVXAUSA-N 1 0 414.616 2.217 20 0 HEADRO C[C@H]1[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)CCN1C(=O)OC(C)(C)C ZINC000786167858 1080475583 /nfs/dbraw/zinc/47/55/83/1080475583.db2.gz WVJWDRDDLCOCPJ-RDJZCZTQSA-N 1 0 403.527 2.417 20 0 HEADRO COc1ccc(OC)c([C@H](O)CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000786256439 1080494750 /nfs/dbraw/zinc/49/47/50/1080494750.db2.gz TVVICIGHAGUQEF-HXUWFJFHSA-N 1 0 401.507 2.341 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000786259293 1080499634 /nfs/dbraw/zinc/49/96/34/1080499634.db2.gz RQVAEGYUYHHWFV-INIZCTEOSA-N 1 0 401.511 2.147 20 0 HEADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(CC[NH+](C)C)cc3)C2=O)cc1 ZINC000786226325 1080507467 /nfs/dbraw/zinc/50/74/67/1080507467.db2.gz HOGXDIGLGJAVAS-XMMPIXPASA-N 1 0 422.529 2.183 20 0 HEADRO CC(C)c1ccnc(N2CCN(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)n1 ZINC000768360901 1080511947 /nfs/dbraw/zinc/51/19/47/1080511947.db2.gz JCVUGBQQYAWBJY-LJQANCHMSA-N 1 0 416.570 2.075 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000786241203 1080516808 /nfs/dbraw/zinc/51/68/08/1080516808.db2.gz UCRIOPKDJDLCHG-IBGZPJMESA-N 1 0 418.563 2.477 20 0 HEADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc(-n4cnc5ccccc54)nc3)C2)CC1 ZINC000768408417 1080529076 /nfs/dbraw/zinc/52/90/76/1080529076.db2.gz YTJQLLCCJMCMCP-SFHVURJKSA-N 1 0 404.518 2.319 20 0 HEADRO CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@]3(O)CCc4ccccc4C3)cc2)CC1 ZINC000786284363 1080530154 /nfs/dbraw/zinc/53/01/54/1080530154.db2.gz CLLHYIQJTSXTSH-VWLOTQADSA-N 1 0 421.541 2.252 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000786286341 1080531881 /nfs/dbraw/zinc/53/18/81/1080531881.db2.gz GXRXGYUJMGFHCB-UHFFFAOYSA-N 1 0 401.507 2.208 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000768390837 1080538701 /nfs/dbraw/zinc/53/87/01/1080538701.db2.gz KBHQXIZDSDKFMD-JZXOWHBKSA-N 1 0 412.575 2.031 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(CCCOC(C)=O)c2)CC1=O ZINC000768428119 1080548787 /nfs/dbraw/zinc/54/87/87/1080548787.db2.gz IZYPRXKYPAVIPL-FPOVZHCZSA-N 1 0 415.534 2.454 20 0 HEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CCO)CCNC(=O)OC(C)(C)C ZINC000768428886 1080550339 /nfs/dbraw/zinc/55/03/39/1080550339.db2.gz KYLXSYYFJLTKTL-MJGOQNOKSA-N 1 0 420.554 2.036 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000786350032 1080554280 /nfs/dbraw/zinc/55/42/80/1080554280.db2.gz RUEBALLGJQTWCQ-MOPGFXCFSA-N 1 0 401.507 2.204 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@H](C)c3c(C)n[nH]c3C)cc2)CC1 ZINC000786321238 1080561586 /nfs/dbraw/zinc/56/15/86/1080561586.db2.gz GLJSRHMBVBLQQE-OAHLLOKOSA-N 1 0 413.522 2.454 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000786333125 1080565816 /nfs/dbraw/zinc/56/58/16/1080565816.db2.gz WYGVPGGSOFEQTP-IAGOWNOFSA-N 1 0 424.586 2.079 20 0 HEADRO Cc1ccc(N2CCCN(C(=O)C(=O)NC3CC[NH+](CC(C)C)CC3)CC2)cc1 ZINC000786333169 1080566626 /nfs/dbraw/zinc/56/66/26/1080566626.db2.gz JZJYPSCGUKWFBH-UHFFFAOYSA-N 1 0 400.567 2.270 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000786334481 1080566742 /nfs/dbraw/zinc/56/67/42/1080566742.db2.gz QIWOERYXOPBVLM-FUHWJXTLSA-N 1 0 424.586 2.127 20 0 HEADRO Cc1nc(Cn2cc(C(=O)Oc3ccc(OCC[NH+]4CCCCC4)cc3)nn2)no1 ZINC000786359223 1080569465 /nfs/dbraw/zinc/56/94/65/1080569465.db2.gz LXZZUENGPQNSSQ-UHFFFAOYSA-N 1 0 412.450 2.102 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000786366496 1080572211 /nfs/dbraw/zinc/57/22/11/1080572211.db2.gz BUGPIOCVEJFPQP-WBVHZDCISA-N 1 0 411.543 2.164 20 0 HEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786394000 1080584202 /nfs/dbraw/zinc/58/42/02/1080584202.db2.gz VRNBLTMXMNUMFS-KRWDZBQOSA-N 1 0 424.586 2.321 20 0 HEADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000786409617 1080589900 /nfs/dbraw/zinc/58/99/00/1080589900.db2.gz OLKQSWMAGVOODE-UHFFFAOYSA-N 1 0 424.586 2.319 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)C1 ZINC000786415880 1080592515 /nfs/dbraw/zinc/59/25/15/1080592515.db2.gz ZFNXVVDWPZDLBS-QGZVFWFLSA-N 1 0 424.586 2.130 20 0 HEADRO COc1ccc(OC)c(-n2nnn(CN3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2=S)c1 ZINC000768502725 1080595805 /nfs/dbraw/zinc/59/58/05/1080595805.db2.gz PGYVHMHPTUWINO-GOEBONIOSA-N 1 0 404.540 2.189 20 0 HEADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 ZINC000786425620 1080596330 /nfs/dbraw/zinc/59/63/30/1080596330.db2.gz AFZOGTFGJHUSSY-UHFFFAOYSA-N 1 0 410.474 2.002 20 0 HEADRO CO[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000786442334 1080605538 /nfs/dbraw/zinc/60/55/38/1080605538.db2.gz AQOJMQBVTVJNMJ-IRXDYDNUSA-N 1 0 418.538 2.369 20 0 HEADRO CC(C)COC(=O)N1CCC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000768577345 1080641711 /nfs/dbraw/zinc/64/17/11/1080641711.db2.gz FPJFVGFWTGFOII-VQTJNVASSA-N 1 0 409.571 2.375 20 0 HEADRO CC(C)c1[nH]nc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1Br ZINC000768629444 1080680234 /nfs/dbraw/zinc/68/02/34/1080680234.db2.gz GTSVQVVJMGXCFQ-UHFFFAOYSA-N 1 0 413.316 2.195 20 0 HEADRO C[C@H](C(=O)OCC1CC[NH+](Cc2ccco2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000772686183 1080707930 /nfs/dbraw/zinc/70/79/30/1080707930.db2.gz YPNGMDSBLLGAHP-OAHLLOKOSA-N 1 0 403.479 2.288 20 0 HEADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cnn(-c3ccccc3Cl)c2)C[C@H](C)O1 ZINC000768704253 1080718151 /nfs/dbraw/zinc/71/81/51/1080718151.db2.gz ZIPYHOFKBWPSDA-GASCZTMLSA-N 1 0 419.913 2.080 20 0 HEADRO CC(C)[C@H](CNC(=O)C(=O)N1CCC(C2(C)OCCO2)CC1)[NH+]1CCCCCC1 ZINC000786625915 1080719482 /nfs/dbraw/zinc/71/94/82/1080719482.db2.gz HQLYTCIGOMUKEA-IBGZPJMESA-N 1 0 409.571 2.005 20 0 HEADRO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)[NH+]1CCCCCC1 ZINC000786627602 1080723540 /nfs/dbraw/zinc/72/35/40/1080723540.db2.gz MXYCGQOHQXDJGJ-XDNAFOTISA-N 1 0 413.653 2.499 20 0 HEADRO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC000786631107 1080726265 /nfs/dbraw/zinc/72/62/65/1080726265.db2.gz ZYAFECWQNBBYNF-ROUUACIJSA-N 1 0 424.586 2.129 20 0 HEADRO COc1ccc(C(=O)NCC[NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)cc1 ZINC000768685744 1080747028 /nfs/dbraw/zinc/74/70/28/1080747028.db2.gz GZLMNUSWXYHQBV-AEFFLSMTSA-N 1 0 421.538 2.429 20 0 HEADRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000768689054 1080748323 /nfs/dbraw/zinc/74/83/23/1080748323.db2.gz PIUFFABBLGFPMZ-IRXDYDNUSA-N 1 0 412.552 2.464 20 0 HEADRO Cc1cccc([C@H](O)CNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c1 ZINC000768739245 1080762942 /nfs/dbraw/zinc/76/29/42/1080762942.db2.gz RVJWQCYGEUDBLU-JOCHJYFZSA-N 1 0 424.545 2.314 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)N[C@H]2CCOC3(CCC3)C2)cc1)C1CC[NH+](C)CC1 ZINC000768750329 1080771863 /nfs/dbraw/zinc/77/18/63/1080771863.db2.gz KHIUVPOLYDZYFB-SFHVURJKSA-N 1 0 414.550 2.373 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000786730758 1080781180 /nfs/dbraw/zinc/78/11/80/1080781180.db2.gz OKWMJNIMBKNJDE-UHFFFAOYSA-N 1 0 411.572 2.155 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000786732906 1080782355 /nfs/dbraw/zinc/78/23/55/1080782355.db2.gz NOWBDCMONDQNSI-KRWDZBQOSA-N 1 0 407.540 2.051 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000786733694 1080783128 /nfs/dbraw/zinc/78/31/28/1080783128.db2.gz BLMAHFFVAADSTC-HNNXBMFYSA-N 1 0 413.569 2.112 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC000786733711 1080783219 /nfs/dbraw/zinc/78/32/19/1080783219.db2.gz SSKIMLIRKJNHDP-UHFFFAOYSA-N 1 0 421.567 2.222 20 0 HEADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1nn(CCS(=O)(=O)CC)cc1C ZINC000786741363 1080789013 /nfs/dbraw/zinc/78/90/13/1080789013.db2.gz RRQCDWJWHYPQON-KRWDZBQOSA-N 1 0 413.588 2.402 20 0 HEADRO CC1(C)CC([N@@H+]2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)CC(C)(C)N1O ZINC001169996424 1080801159 /nfs/dbraw/zinc/80/11/59/1080801159.db2.gz XVYUZUAEFPSYRL-UHFFFAOYSA-N 1 0 400.527 2.105 20 0 HEADRO CCOC(CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)OCC ZINC000786770106 1080811778 /nfs/dbraw/zinc/81/17/78/1080811778.db2.gz RAYSKCDOSWZMET-SFHVURJKSA-N 1 0 405.539 2.015 20 0 HEADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C[C@@H](O)c2cccc(F)c2)CC1 ZINC000772689526 1080843475 /nfs/dbraw/zinc/84/34/75/1080843475.db2.gz NZZMULDOLFTBRR-HXUWFJFHSA-N 1 0 407.530 2.336 20 0 HEADRO O=C(COC(=O)CC[N@@H+]1CCc2ccccc2C1)NC(=O)NCc1cccs1 ZINC000786820917 1080845040 /nfs/dbraw/zinc/84/50/40/1080845040.db2.gz IHEQMEJJFBLCQY-UHFFFAOYSA-N 1 0 401.488 2.066 20 0 HEADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000768907323 1080848807 /nfs/dbraw/zinc/84/88/07/1080848807.db2.gz AVBYSVXMPPNCJX-UHFFFAOYSA-N 1 0 408.502 2.461 20 0 HEADRO CN(C[C@@H]1CCC[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)C1)C(=O)OC(C)(C)C ZINC000768915397 1080854819 /nfs/dbraw/zinc/85/48/19/1080854819.db2.gz LZBUUOAIXQXOGI-SFHVURJKSA-N 1 0 418.586 2.307 20 0 HEADRO CC(C)(C)OC(=O)N1CC(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000768920314 1080858048 /nfs/dbraw/zinc/85/80/48/1080858048.db2.gz WJXYUOGWTLOCEZ-UXHICEINSA-N 1 0 417.550 2.243 20 0 HEADRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ccccc2F)CC1 ZINC000786878136 1080866385 /nfs/dbraw/zinc/86/63/85/1080866385.db2.gz BDEQUUBUZLOUDQ-FQEVSTJZSA-N 1 0 403.498 2.425 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](O)c3cc(F)cc(Cl)c3)cn2)CC1 ZINC000786891602 1080870886 /nfs/dbraw/zinc/87/08/86/1080870886.db2.gz USOHPLOUGKVXLO-SFHVURJKSA-N 1 0 421.904 2.159 20 0 HEADRO Cc1c(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cccc1N1CCOC1=O ZINC000768988704 1080876551 /nfs/dbraw/zinc/87/65/51/1080876551.db2.gz MZSDOBMENVICPN-RTBURBONSA-N 1 0 402.495 2.451 20 0 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CCOC(=O)c1c(C)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902847 721535556 /nfs/dbraw/zinc/53/55/56/721535556.db2.gz BMGZCUYJSJLALW-AEFFLSMTSA-N 1 0 400.454 2.443 20 0 HEADRO COC(=O)c1c[nH]c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164905259 721540604 /nfs/dbraw/zinc/54/06/04/721540604.db2.gz HNBHEVAGELBCKT-ZBFHGGJFSA-N 1 0 411.437 2.226 20 0 HEADRO O=C1CCC(=O)N1Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164903067 721543792 /nfs/dbraw/zinc/54/37/92/721543792.db2.gz BYSJUXFENQPXRN-QUCCMNQESA-N 1 0 424.476 2.212 20 0 HEADRO CON(C)C(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907797 721546824 /nfs/dbraw/zinc/54/68/24/721546824.db2.gz OOPCMLZOWQMPBI-WMZOPIPTSA-N 1 0 400.454 2.196 20 0 HEADRO COC(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903098 721559775 /nfs/dbraw/zinc/55/97/75/721559775.db2.gz AJZXYKLIVWUQEL-UKRRQHHQSA-N 1 0 406.845 2.398 20 0 HEADRO COC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904134 721692741 /nfs/dbraw/zinc/69/27/41/721692741.db2.gz DHKBCPAAZJJLKN-LJQANCHMSA-N 1 0 403.433 2.396 20 0 HEADRO CCOC(=O)/C=C/c1cccnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165009639 721731371 /nfs/dbraw/zinc/73/13/71/721731371.db2.gz YZIICVNYNCAUIR-CMDGGOBGSA-N 1 0 400.523 2.181 20 0 HEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(N4CCOCC4)n3)C[C@H]21 ZINC001165026038 721817323 /nfs/dbraw/zinc/81/73/23/721817323.db2.gz OWLLMWIETTXTCF-CEWLAPEOSA-N 1 0 408.550 2.445 20 0 HEADRO CNS(=O)(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026424 721817372 /nfs/dbraw/zinc/81/73/72/721817372.db2.gz PZTSYRKTLIZCFM-QXAKKESOSA-N 1 0 415.563 2.122 20 0 HEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(N4CCOCC4)n3)C[C@@H]21 ZINC001165026047 721817729 /nfs/dbraw/zinc/81/77/29/721817729.db2.gz OWLLMWIETTXTCF-SESVDKBCSA-N 1 0 408.550 2.445 20 0 HEADRO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]ccc5c4ccn5C)CCO3)C2)cs1 ZINC001164924697 721825304 /nfs/dbraw/zinc/82/53/04/721825304.db2.gz OCRNHYVNSPKBNQ-NRFANRHFSA-N 1 0 413.547 2.446 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(CCOC)CCO[C@H]3C2)nc1 ZINC001164922087 721844821 /nfs/dbraw/zinc/84/48/21/721844821.db2.gz QIDHFERSFKIZKI-HBMCJLEFSA-N 1 0 416.566 2.329 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncnc2c1CCN(Cc1ccccc1)C2 ZINC001164923392 721860270 /nfs/dbraw/zinc/86/02/70/721860270.db2.gz AGTPSQOZZCOLHT-GOTSBHOMSA-N 1 0 406.578 2.250 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1 ZINC001164925607 721862533 /nfs/dbraw/zinc/86/25/33/721862533.db2.gz OOSOOEHBTUQTEX-ARFHVFGLSA-N 1 0 419.961 2.393 20 0 HEADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164924302 721863306 /nfs/dbraw/zinc/86/33/06/721863306.db2.gz KSAXRICEQRGFGR-STQMWFEESA-N 1 0 413.975 2.243 20 0 HEADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C)OCC ZINC001164921485 721863788 /nfs/dbraw/zinc/86/37/88/721863788.db2.gz CYSQPLATWNPBDL-IAGOWNOFSA-N 1 0 411.978 2.286 20 0 HEADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165045447 721958898 /nfs/dbraw/zinc/95/88/98/721958898.db2.gz UMLRJZYADFHVLE-UHFFFAOYSA-N 1 0 409.490 2.346 20 0 HEADRO O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001165049144 721981443 /nfs/dbraw/zinc/98/14/43/721981443.db2.gz HCJPMIJNZBARDS-NRFANRHFSA-N 1 0 408.502 2.166 20 0 HEADRO O=C(N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164948727 722001435 /nfs/dbraw/zinc/00/14/35/722001435.db2.gz AWDZWVFZVLZFLR-YVWKXTFCSA-N 1 0 413.547 2.300 20 0 HEADRO C[N@H+](Cc1ccc(N2C[C@H](NC(=O)c3cscn3)[C@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164953833 722001764 /nfs/dbraw/zinc/00/17/64/722001764.db2.gz ZWZFNUPQZXBNOV-XKGZKEIXSA-N 1 0 413.547 2.299 20 0 HEADRO O=C(N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164952278 722002045 /nfs/dbraw/zinc/00/20/45/722002045.db2.gz RBWLVMWNZNRPOS-BHIYHBOVSA-N 1 0 413.547 2.300 20 0 HEADRO c1ccc(CC[NH+]2CCN(c3nc4ccccc4nc3N3CCOCC3)CC2)nc1 ZINC001165053268 722012455 /nfs/dbraw/zinc/01/24/55/722012455.db2.gz DQISGGBVQHNXHV-UHFFFAOYSA-N 1 0 404.518 2.226 20 0 HEADRO CN1CCN(c2nccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164960547 722023358 /nfs/dbraw/zinc/02/33/58/722023358.db2.gz KCWTWBNXVLXJEJ-UHFFFAOYSA-N 1 0 407.566 2.116 20 0 HEADRO Cc1ccc(N(c2ccc(CN3CCOCC3)cn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164963424 722025442 /nfs/dbraw/zinc/02/54/42/722025442.db2.gz SXTQNXKELURAJY-REWPJTCUSA-N 1 0 424.549 2.061 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@@H]4Oc3ncccc3F)n2)CC1 ZINC001164959327 722029163 /nfs/dbraw/zinc/02/91/63/722029163.db2.gz QYYSNPFUWXZBFL-LQWHRVPQSA-N 1 0 413.497 2.183 20 0 HEADRO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3C[N@@H+](C(C)(C)c4ccnc(Cl)c4)CC[C@@H]23)cn1 ZINC001164956063 722032356 /nfs/dbraw/zinc/03/23/56/722032356.db2.gz BNEJEGMIZZRKBH-JQHSSLGASA-N 1 0 417.941 2.471 20 0 HEADRO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncn1 ZINC001164963097 722054484 /nfs/dbraw/zinc/05/44/84/722054484.db2.gz HBYSCXGPCXXWEW-UHFFFAOYSA-N 1 0 411.506 2.167 20 0 HEADRO COc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963810 722054549 /nfs/dbraw/zinc/05/45/49/722054549.db2.gz MBXOWMMKGXQMGI-UHFFFAOYSA-N 1 0 404.902 2.048 20 0 HEADRO CC(C)C(=O)N1CCN(c2ncccc2C[NH+]2CCCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164975786 722088695 /nfs/dbraw/zinc/08/86/95/722088695.db2.gz UTYHZXZZHORUTF-QHCPKHFHSA-N 1 0 413.566 2.021 20 0 HEADRO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981364 722107391 /nfs/dbraw/zinc/10/73/91/722107391.db2.gz LEKAGVUIWBSNSR-WMLDXEAASA-N 1 0 419.888 2.095 20 0 HEADRO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981366 722107609 /nfs/dbraw/zinc/10/76/09/722107609.db2.gz LEKAGVUIWBSNSR-YOEHRIQHSA-N 1 0 419.888 2.095 20 0 HEADRO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164979754 722109044 /nfs/dbraw/zinc/10/90/44/722109044.db2.gz PSDFNQPBGDYXFG-XLIONFOSSA-N 1 0 421.501 2.472 20 0 HEADRO CNC(=O)c1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164978333 722127624 /nfs/dbraw/zinc/12/76/24/722127624.db2.gz OKVGIOBYNBVBQN-AEFFLSMTSA-N 1 0 415.925 2.217 20 0 HEADRO Clc1ncnc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164983269 722130955 /nfs/dbraw/zinc/13/09/55/722130955.db2.gz SVSBGMPPVBTIIU-DOTOQJQBSA-N 1 0 411.897 2.196 20 0 HEADRO CCCNC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164981037 722143038 /nfs/dbraw/zinc/14/30/38/722143038.db2.gz OKHWXROGJSQSMC-NHCUHLMSSA-N 1 0 409.534 2.344 20 0 HEADRO CCCNC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164981041 722143138 /nfs/dbraw/zinc/14/31/38/722143138.db2.gz OKHWXROGJSQSMC-SFTDATJTSA-N 1 0 409.534 2.344 20 0 HEADRO c1nc2c(ncnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1C1CC1 ZINC001164984254 722143818 /nfs/dbraw/zinc/14/38/18/722143818.db2.gz WZGOTQDNBDHBTQ-PKOBYXMFSA-N 1 0 405.506 2.284 20 0 HEADRO CCOC(=O)Cc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164977108 722156151 /nfs/dbraw/zinc/15/61/51/722156151.db2.gz XAUDCWISJGBWJT-SFTDATJTSA-N 1 0 410.518 2.310 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(n(C)nc3C(=O)N3CCOCC3)C2)nc1 ZINC001164973017 722160318 /nfs/dbraw/zinc/16/03/18/722160318.db2.gz JYFATGMWDLNMIG-LJQANCHMSA-N 1 0 424.549 2.355 20 0 HEADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N(C)C)[nH+]c(C)n4)CC[C@@H]32)cs1 ZINC001164991608 722175937 /nfs/dbraw/zinc/17/59/37/722175937.db2.gz YLHKJKCSONQZPT-ROUUACIJSA-N 1 0 402.568 2.486 20 0 HEADRO CNS(=O)(=O)c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164995111 722207972 /nfs/dbraw/zinc/20/79/72/722207972.db2.gz LDXRYEIMKLMSAV-HXUWFJFHSA-N 1 0 404.511 2.374 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)ncn1)CCC2 ZINC001165000634 722250452 /nfs/dbraw/zinc/25/04/52/722250452.db2.gz IBGCVONPLSNYOH-UHFFFAOYSA-N 1 0 400.861 2.360 20 0 HEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000769650781 1078486176 /nfs/dbraw/zinc/48/61/76/1078486176.db2.gz SDMIVJFSJBBZBH-FGTMMUONSA-N 1 0 412.575 2.432 20 0 HEADRO O=S(=O)(Cc1ccc(Cl)nc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000769671367 1078510773 /nfs/dbraw/zinc/51/07/73/1078510773.db2.gz CRNRFDWACWFAER-ZWKOTPCHSA-N 1 0 409.939 2.037 20 0 HEADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1nccn2c(Br)cnc12 ZINC000769711903 1078532466 /nfs/dbraw/zinc/53/24/66/1078532466.db2.gz PWEDKAHTHYLBBN-AWEZNQCLSA-N 1 0 402.296 2.395 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)N/C=C1/c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000769726834 1078538220 /nfs/dbraw/zinc/53/82/20/1078538220.db2.gz QBMPJGXDSFMKNJ-HGBKYHTQSA-N 1 0 419.529 2.225 20 0 HEADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1nccn2c(Br)cnc12 ZINC000769742000 1078555369 /nfs/dbraw/zinc/55/53/69/1078555369.db2.gz OEQVWEOSWVSYRC-UHFFFAOYSA-N 1 0 418.295 2.362 20 0 HEADRO C[C@@H](OC(=O)[C@@H]1CCc2c[nH]nc2C1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000745628227 1078563522 /nfs/dbraw/zinc/56/35/22/1078563522.db2.gz VKIDLCFJLQINTC-SJLPKXTDSA-N 1 0 410.518 2.227 20 0 HEADRO C[C@@H](OC(=O)[C@H]1CCc2c[nH]nc2C1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000745628225 1078563643 /nfs/dbraw/zinc/56/36/43/1078563643.db2.gz VKIDLCFJLQINTC-AEFFLSMTSA-N 1 0 410.518 2.227 20 0 HEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)C1 ZINC000769779795 1078562511 /nfs/dbraw/zinc/56/25/11/1078562511.db2.gz WNBWRZUQNLIOOL-CYBMUJFWSA-N 1 0 419.400 2.344 20 0 HEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)CCC3CCOCC3)CC2)cc1 ZINC000745657392 1078569443 /nfs/dbraw/zinc/56/94/43/1078569443.db2.gz MEEOJCFAOCHEAY-UHFFFAOYSA-N 1 0 418.534 2.480 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H]2SCCc3sccc32)C1 ZINC000745638521 1078570402 /nfs/dbraw/zinc/57/04/02/1078570402.db2.gz XCKVHQNZVFTHKU-RDTXWAMCSA-N 1 0 412.577 2.095 20 0 HEADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)c1cccnc1Cl ZINC000769897821 1078621070 /nfs/dbraw/zinc/62/10/70/1078621070.db2.gz XWKGIIPXUKNPAR-CQSZACIVSA-N 1 0 403.932 2.163 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)C[C@H]1C(=O)N1CCSC1 ZINC001170011304 1078632551 /nfs/dbraw/zinc/63/25/51/1078632551.db2.gz NPXSWAXSBJUCEF-BZSNNMDCSA-N 1 0 421.563 2.221 20 0 HEADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000769919865 1078636036 /nfs/dbraw/zinc/63/60/36/1078636036.db2.gz LAKJADFAGMWBGJ-SDLDRHLBSA-N 1 0 414.531 2.481 20 0 HEADRO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769943864 1078647601 /nfs/dbraw/zinc/64/76/01/1078647601.db2.gz SNTYWEXNHHVBJZ-INIZCTEOSA-N 1 0 424.586 2.068 20 0 HEADRO C[C@@H]1C[NH+](CCCCNC(=O)c2nccn3c(Br)cnc23)C[C@@H](C)O1 ZINC000769959620 1078652477 /nfs/dbraw/zinc/65/24/77/1078652477.db2.gz NIGLAZZJJOYIIY-CHWSQXEVSA-N 1 0 410.316 2.111 20 0 HEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000769971091 1078654342 /nfs/dbraw/zinc/65/43/42/1078654342.db2.gz BPEBFEQHMROORM-JZKQVHKSSA-N 1 0 424.904 2.235 20 0 HEADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCC[C@H](O)c3ccccc3)c2)C1 ZINC000745810090 1078656314 /nfs/dbraw/zinc/65/63/14/1078656314.db2.gz WQMBJQFURNCSLI-VXKWHMMOSA-N 1 0 424.545 2.307 20 0 HEADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000769975359 1078670713 /nfs/dbraw/zinc/67/07/13/1078670713.db2.gz SPASNBHXMDQTTI-GQIGUUNPSA-N 1 0 423.517 2.359 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000745824569 1078664957 /nfs/dbraw/zinc/66/49/57/1078664957.db2.gz KBBJXSUXDXTBFB-FQEVSTJZSA-N 1 0 424.549 2.038 20 0 HEADRO O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000745827055 1078665262 /nfs/dbraw/zinc/66/52/62/1078665262.db2.gz GKRJOFNXVAQQOZ-GOSISDBHSA-N 1 0 419.957 2.070 20 0 HEADRO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769940299 1078666057 /nfs/dbraw/zinc/66/60/57/1078666057.db2.gz MVGQRHZSPVVUQC-INIZCTEOSA-N 1 0 424.586 2.081 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000745861752 1078677738 /nfs/dbraw/zinc/67/77/38/1078677738.db2.gz PDDSNMZGSMJPJQ-PBHICJAKSA-N 1 0 400.926 2.085 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000770025589 1078692957 /nfs/dbraw/zinc/69/29/57/1078692957.db2.gz UVRBBVOMXWUAKO-MJGOQNOKSA-N 1 0 403.502 2.146 20 0 HEADRO CNc1ncc(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)s1 ZINC000770042466 1078701682 /nfs/dbraw/zinc/70/16/82/1078701682.db2.gz RRVPZPJTBQGZTP-UHFFFAOYSA-N 1 0 418.519 2.085 20 0 HEADRO FC(F)Oc1ccc(-n2nnnc2CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000745948445 1078705681 /nfs/dbraw/zinc/70/56/81/1078705681.db2.gz ITPAOJOYYPZVLL-UHFFFAOYSA-N 1 0 422.480 2.341 20 0 HEADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000745942881 1078707974 /nfs/dbraw/zinc/70/79/74/1078707974.db2.gz UNLZRCNYCHPUEG-QUCCMNQESA-N 1 0 423.579 2.296 20 0 HEADRO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745945205 1078709644 /nfs/dbraw/zinc/70/96/44/1078709644.db2.gz SSJGDLOGQNFFQO-SJORKVTESA-N 1 0 408.495 2.154 20 0 HEADRO CC(C)C[C@H]1CC[N@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1 ZINC000745986374 1078719603 /nfs/dbraw/zinc/71/96/03/1078719603.db2.gz IELVGNMOPNAVNQ-GCJKJVERSA-N 1 0 400.523 2.329 20 0 HEADRO CCOC(=O)C1=C(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)NC(=O)N[C@@H]1c1ccco1 ZINC000745988547 1078720659 /nfs/dbraw/zinc/72/06/59/1078720659.db2.gz AVHPSSAONSSJGP-GQIGUUNPSA-N 1 0 416.522 2.398 20 0 HEADRO CCN(CC1CC[NH+](CC(=O)NC2CCN(C(C)=O)CC2)CC1)C(=O)OC(C)(C)C ZINC000745988320 1078720687 /nfs/dbraw/zinc/72/06/87/1078720687.db2.gz TVXOIANELHGAJS-UHFFFAOYSA-N 1 0 424.586 2.083 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)cn2)CC1 ZINC000770135132 1078744075 /nfs/dbraw/zinc/74/40/75/1078744075.db2.gz UHLAGSVSYHLHKA-LJQANCHMSA-N 1 0 423.517 2.431 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000746036216 1078738097 /nfs/dbraw/zinc/73/80/97/1078738097.db2.gz MFIJSFLSMGDIQK-HUUCEWRRSA-N 1 0 417.901 2.178 20 0 HEADRO CC(=O)N(C)c1cccc(NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)c1 ZINC000746038625 1078739915 /nfs/dbraw/zinc/73/99/15/1078739915.db2.gz OGURZJAUBHFRHW-UHFFFAOYSA-N 1 0 410.518 2.241 20 0 HEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)C1 ZINC000746046371 1078756624 /nfs/dbraw/zinc/75/66/24/1078756624.db2.gz OACGFPLFLCLBMF-QGZVFWFLSA-N 1 0 409.486 2.440 20 0 HEADRO COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000746048374 1078757629 /nfs/dbraw/zinc/75/76/29/1078757629.db2.gz GQKYBIFKLOQOLD-OAHLLOKOSA-N 1 0 407.511 2.434 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cn(C(C)(C)C)nc1Br ZINC000770173140 1078769110 /nfs/dbraw/zinc/76/91/10/1078769110.db2.gz LTXOMZNJSSEFEV-CYBMUJFWSA-N 1 0 400.365 2.156 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000770173113 1078769309 /nfs/dbraw/zinc/76/93/09/1078769309.db2.gz LFAURKYKIJHYAZ-FPOVZHCZSA-N 1 0 416.566 2.320 20 0 HEADRO O=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746112534 1078791637 /nfs/dbraw/zinc/79/16/37/1078791637.db2.gz NWKGRVFALKFUPS-DEOSSOPVSA-N 1 0 407.514 2.176 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)CC1 ZINC000770286827 1078808618 /nfs/dbraw/zinc/80/86/18/1078808618.db2.gz PXWLECMWXBUIFU-LJQANCHMSA-N 1 0 418.538 2.403 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3ccc4c(c3)COC4)cc2)CC1 ZINC000770294125 1078819630 /nfs/dbraw/zinc/81/96/30/1078819630.db2.gz JCMISIHUKFKPMO-UHFFFAOYSA-N 1 0 408.502 2.114 20 0 HEADRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000746190785 1078820109 /nfs/dbraw/zinc/82/01/09/1078820109.db2.gz KTMLJVPGTLBOBQ-RBUKOAKNSA-N 1 0 408.587 2.262 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000746234681 1078826620 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NWCUQTJOFPZDHA-IAGOWNOFSA-N 1 0 403.527 2.029 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000770342226 1078837059 /nfs/dbraw/zinc/83/70/59/1078837059.db2.gz FRGRBHKHZPTJAI-LJQANCHMSA-N 1 0 417.554 2.119 20 0 HEADRO O=C(N1CCN(Cc2ccc(Cl)nc2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746271989 1078839890 /nfs/dbraw/zinc/83/98/90/1078839890.db2.gz GJPWPBIWBRYCFI-QFIPXVFZSA-N 1 0 414.937 2.016 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)C1 ZINC000746275803 1078841313 /nfs/dbraw/zinc/84/13/13/1078841313.db2.gz RWQIHBOUNXJMGI-ACQXMXPUSA-N 1 0 407.580 2.451 20 0 HEADRO O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN(C[C@@H]1CCOC1)C1CC1 ZINC000746502871 1078847845 /nfs/dbraw/zinc/84/78/45/1078847845.db2.gz LTEPRPMAFBIBPY-WMZHIEFXSA-N 1 0 412.534 2.031 20 0 HEADRO O=C(Nc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1)C(F)(F)F ZINC000770426104 1078848112 /nfs/dbraw/zinc/84/81/12/1078848112.db2.gz FHAUABPARFBOPP-UHFFFAOYSA-N 1 0 405.442 2.340 20 0 HEADRO O=C(CCNS(=O)(=O)c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000039535827 1078852721 /nfs/dbraw/zinc/85/27/21/1078852721.db2.gz YRDUVSRZUIHGAH-UHFFFAOYSA-N 1 0 401.532 2.090 20 0 HEADRO C[NH+]1CCN(Cc2cccc(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c2)CC1 ZINC000746332908 1078862579 /nfs/dbraw/zinc/86/25/79/1078862579.db2.gz SINNSUVNRFXQMB-UHFFFAOYSA-N 1 0 404.555 2.467 20 0 HEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770434958 1078853167 /nfs/dbraw/zinc/85/31/67/1078853167.db2.gz NKENBNQJWRVQPS-HXUWFJFHSA-N 1 0 415.534 2.406 20 0 HEADRO COC(=O)CCN(C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)C1CCOCC1 ZINC000746335976 1078863157 /nfs/dbraw/zinc/86/31/57/1078863157.db2.gz WQTXQUYEJGSPIL-UHFFFAOYSA-N 1 0 417.550 2.078 20 0 HEADRO Cc1cc(C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C(F)(F)F)o1 ZINC000770472096 1078873599 /nfs/dbraw/zinc/87/35/99/1078873599.db2.gz FZKYXLRSRMPQSF-CYBMUJFWSA-N 1 0 406.401 2.237 20 0 HEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)C1 ZINC000746335262 1078863830 /nfs/dbraw/zinc/86/38/30/1078863830.db2.gz VFTFOZMGTOFRKB-RLLQIKCJSA-N 1 0 420.529 2.011 20 0 HEADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000746339183 1078864645 /nfs/dbraw/zinc/86/46/45/1078864645.db2.gz KCUJGQUTGXVTNW-QGZVFWFLSA-N 1 0 414.472 2.356 20 0 HEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)C1 ZINC000746343561 1078866799 /nfs/dbraw/zinc/86/67/99/1078866799.db2.gz GTBOLPCPSJLOJW-GOSISDBHSA-N 1 0 400.498 2.494 20 0 HEADRO CC(C)NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1F ZINC000746344983 1078867020 /nfs/dbraw/zinc/86/70/20/1078867020.db2.gz NNLGWDTVVZAQGH-INIZCTEOSA-N 1 0 411.543 2.316 20 0 HEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000746344832 1078867408 /nfs/dbraw/zinc/86/74/08/1078867408.db2.gz LJIIXAMZEMMYKY-MRXNPFEDSA-N 1 0 400.491 2.416 20 0 HEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)c1cccc(OC)c1 ZINC000053700710 1078878563 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CS(=O)(=O)C1CCC([NH2+][C@H]2CCc3c(ccc(=O)n3Cc3cccnc3)C2)CC1 ZINC001169851784 1079447272 /nfs/dbraw/zinc/44/72/72/1079447272.db2.gz KBCDXGOAIZCPIV-GPJFCIFZSA-N 1 0 415.559 2.094 20 0 HEADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C2CCC(S(C)(=O)=O)CC2)cs1 ZINC001169879813 1079452988 /nfs/dbraw/zinc/45/29/88/1079452988.db2.gz GDMWXSLRSJQMDV-OPQOLIRYSA-N 1 0 411.593 2.373 20 0 HEADRO CS(=O)(=O)C1CCC([N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)CC1 ZINC001169879861 1079453737 /nfs/dbraw/zinc/45/37/37/1079453737.db2.gz ICBKYSHJEFFAJE-UHFFFAOYSA-N 1 0 405.564 2.366 20 0 HEADRO CS(=O)(=O)C1CCC([N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)CC1 ZINC001169881486 1079456048 /nfs/dbraw/zinc/45/60/48/1079456048.db2.gz VORGATQXSFJCPP-XABBQPORSA-N 1 0 406.592 2.360 20 0 HEADRO CCOC(=O)c1n[nH]c(C2CC[NH+](CCC3CN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC001169862094 1079461196 /nfs/dbraw/zinc/46/11/96/1079461196.db2.gz DLIXRAKTNXFTLY-UHFFFAOYSA-N 1 0 407.515 2.418 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169905486 1079472199 /nfs/dbraw/zinc/47/21/99/1079472199.db2.gz NOQULPSFYGILEG-BBWFWOEESA-N 1 0 412.527 2.450 20 0 HEADRO COc1ccc2c(c1)NC(=O)C[C@H]2CNc1ncccc1C(=O)NCCC[NH+](C)C ZINC001169911235 1079475204 /nfs/dbraw/zinc/47/52/04/1079475204.db2.gz DIROINQDNBVYPH-HNNXBMFYSA-N 1 0 411.506 2.310 20 0 HEADRO C[C@H](CNC(=O)NC[C@@H](O)COc1ccccc1Br)[NH+]1CCCCC1 ZINC000766879841 1079475221 /nfs/dbraw/zinc/47/52/21/1079475221.db2.gz HBHGQOQGNCCIHD-HUUCEWRRSA-N 1 0 414.344 2.362 20 0 HEADRO C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000771748391 1079478827 /nfs/dbraw/zinc/47/88/27/1079478827.db2.gz VOWPSCIBVUXHKE-IAGOWNOFSA-N 1 0 417.554 2.303 20 0 HEADRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@H]2CCCC3(C2)OCCO3)C[C@]2(CCCC(=O)N2)C1 ZINC001169934636 1079480818 /nfs/dbraw/zinc/48/08/18/1079480818.db2.gz OOZJRCOESGNKMY-LAUBAEHRSA-N 1 0 423.554 2.264 20 0 HEADRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@@]2(CCCC(=O)N2)C1 ZINC001169934637 1079481047 /nfs/dbraw/zinc/48/10/47/1079481047.db2.gz OOZJRCOESGNKMY-UTKZUKDTSA-N 1 0 423.554 2.264 20 0 HEADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000771751210 1079481377 /nfs/dbraw/zinc/48/13/77/1079481377.db2.gz MDWQCQDREWRPNB-UHFFFAOYSA-N 1 0 419.547 2.436 20 0 HEADRO CNC(=O)c1cc2c(nc1N(CC(C)C)[C@H]1CCCC3(C1)OCCO3)CC[NH2+]CC2 ZINC001169944266 1079483967 /nfs/dbraw/zinc/48/39/67/1079483967.db2.gz FDTBDQYBFIKCJN-SFHVURJKSA-N 1 0 416.566 2.278 20 0 HEADRO COC(=O)c1cccc(C(=O)N2CCC([NH2+][C@@H]3CCCC4(C3)OCCO4)CC2)c1 ZINC001169922931 1079485199 /nfs/dbraw/zinc/48/51/99/1079485199.db2.gz GPORMTUOTLVPAW-LJQANCHMSA-N 1 0 402.491 2.353 20 0 HEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000737299792 1075901645 /nfs/dbraw/zinc/90/16/45/1075901645.db2.gz TXMQVMHDIHALSV-QGZVFWFLSA-N 1 0 422.957 2.232 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@](C)(O)C(C)C)cc2Cl)CC1 ZINC000737308196 1075905555 /nfs/dbraw/zinc/90/55/55/1075905555.db2.gz YAMMNUCAKDLGQY-OAQYLSRUSA-N 1 0 424.973 2.334 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCc3ccc(O)cc3)cc2)CC1 ZINC000737315081 1075906683 /nfs/dbraw/zinc/90/66/83/1075906683.db2.gz YLAZNCWEAGJZNW-UHFFFAOYSA-N 1 0 410.518 2.222 20 0 HEADRO c1ncn(C[C@@H]2C[C@@H]3CN([C@@H]4CCCC5(C4)OCCO5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001169945871 1079488293 /nfs/dbraw/zinc/48/82/93/1079488293.db2.gz PZTGZZWKUALIGA-CGXNFDGLSA-N 1 0 401.555 2.139 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000737679917 1075915424 /nfs/dbraw/zinc/91/54/24/1075915424.db2.gz SZSLHHBHOAMTPT-UHFFFAOYSA-N 1 0 422.595 2.075 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)cc2)CC1 ZINC000737676759 1075915740 /nfs/dbraw/zinc/91/57/40/1075915740.db2.gz FGWKAERMGJEXKT-HXUWFJFHSA-N 1 0 422.595 2.217 20 0 HEADRO Fc1cnc(N2CCOC[C@@]3(CCC[N@@H+]([C@H]4CCCC5(C4)OCCO5)C3)C2)nc1 ZINC001169946762 1079488779 /nfs/dbraw/zinc/48/87/79/1079488779.db2.gz CZXREGGADGOXNW-AZUAARDMSA-N 1 0 406.502 2.220 20 0 HEADRO CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1=O ZINC000737709039 1075918035 /nfs/dbraw/zinc/91/80/35/1075918035.db2.gz CYPJNMRHQDLHDV-UHFFFAOYSA-N 1 0 424.501 2.071 20 0 HEADRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH+]([C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001169946334 1079489055 /nfs/dbraw/zinc/48/90/55/1079489055.db2.gz ZFIUNZVHQMQSQP-MOPGFXCFSA-N 1 0 402.539 2.470 20 0 HEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000737741238 1075921194 /nfs/dbraw/zinc/92/11/94/1075921194.db2.gz FUZDWZHHEBRXOP-GBXCKJPGSA-N 1 0 422.529 2.405 20 0 HEADRO C[C@H]1COCCN1CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737836384 1075935313 /nfs/dbraw/zinc/93/53/13/1075935313.db2.gz FHVNULVFVUHDKB-RXVVDRJESA-N 1 0 411.502 2.491 20 0 HEADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)CCCC[NH+](C)C)ccc1Br ZINC000740710896 1079492849 /nfs/dbraw/zinc/49/28/49/1079492849.db2.gz MDTUWGXSKVGKNK-UHFFFAOYSA-N 1 0 420.373 2.113 20 0 HEADRO COC(=O)[C@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169957217 1079493416 /nfs/dbraw/zinc/49/34/16/1079493416.db2.gz CWZFGNBGINUZDW-DLBZAZTESA-N 1 0 412.527 2.450 20 0 HEADRO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCC[C@H]2C[NH+]2CCCC2)C1=O ZINC000738106001 1075963807 /nfs/dbraw/zinc/96/38/07/1075963807.db2.gz FQIUGBLTEUQBSE-PGRDOPGGSA-N 1 0 400.523 2.370 20 0 HEADRO CC[C@]1(c2ccccc2)NC(=O)N(CN2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738110859 1075965291 /nfs/dbraw/zinc/96/52/91/1075965291.db2.gz JXJGRZRYPRPWJT-HSZRJFAPSA-N 1 0 414.550 2.236 20 0 HEADRO Cc1ccc(-c2nn(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)c(=S)n2C)cc1 ZINC000738160183 1075970678 /nfs/dbraw/zinc/97/06/78/1075970678.db2.gz GKXOQVNRJBREBN-UHFFFAOYSA-N 1 0 414.579 2.124 20 0 HEADRO C[C@@H](c1ccccc1)n1cnn(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1=S ZINC000738161821 1075971227 /nfs/dbraw/zinc/97/12/27/1075971227.db2.gz VFFYJMLXEXYXHW-SFHVURJKSA-N 1 0 414.579 2.221 20 0 HEADRO Cc1ncsc1CN(C)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000738161842 1075971244 /nfs/dbraw/zinc/97/12/44/1075971244.db2.gz VNRMFHOPNRAUCU-NRFANRHFSA-N 1 0 413.547 2.427 20 0 HEADRO O=C(NCCS(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OCc1ccccc1 ZINC000771775330 1079495501 /nfs/dbraw/zinc/49/55/01/1079495501.db2.gz KQUPFPFRJIAWMG-UYAOXDASSA-N 1 0 421.563 2.191 20 0 HEADRO CC(=O)Nc1cccc(-n2cnn(CN3CCC(OCC[NH+](C)C)CC3)c2=S)c1 ZINC000738211324 1075974398 /nfs/dbraw/zinc/97/43/98/1075974398.db2.gz UZMYGMHZBUBNAY-UHFFFAOYSA-N 1 0 418.567 2.362 20 0 HEADRO COc1ccc(OC)c([C@@H](O)C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000738327254 1075981425 /nfs/dbraw/zinc/98/14/25/1075981425.db2.gz YSFPBIPIVKTYKB-IBGZPJMESA-N 1 0 423.554 2.222 20 0 HEADRO CCOC(=O)C1=C(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)NC(=O)N[C@@H]1C ZINC000738334028 1075983553 /nfs/dbraw/zinc/98/35/53/1075983553.db2.gz BIQOCRQOIIUTKM-ZHALLVOQSA-N 1 0 414.550 2.490 20 0 HEADRO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000738310477 1075987350 /nfs/dbraw/zinc/98/73/50/1075987350.db2.gz ZKDPMUVNQYPLQX-FQEVSTJZSA-N 1 0 402.495 2.471 20 0 HEADRO CC(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)cc21 ZINC000738366785 1075998867 /nfs/dbraw/zinc/99/88/67/1075998867.db2.gz MJFMQOGJHKDAPN-UHFFFAOYSA-N 1 0 401.532 2.478 20 0 HEADRO CCN1C(=O)c2ccc(C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)cc2S1(=O)=O ZINC000738520325 1075999316 /nfs/dbraw/zinc/99/93/16/1075999316.db2.gz CKAPRBZBJJJYLV-UHFFFAOYSA-N 1 0 415.515 2.185 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2ccc(C(N)=S)cc2)CC1 ZINC000738560522 1076001879 /nfs/dbraw/zinc/00/18/79/1076001879.db2.gz OCEILYQLOPPITM-UHFFFAOYSA-N 1 0 412.559 2.224 20 0 HEADRO CC1CCC2(CC1)OC[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C3CCN(C)CC3)C1)O2 ZINC000771779740 1079502314 /nfs/dbraw/zinc/50/23/14/1079502314.db2.gz XAFROYJEIRMOTJ-IHWTVUROSA-N 1 0 408.587 2.118 20 0 HEADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)CC1 ZINC000739071809 1076037681 /nfs/dbraw/zinc/03/76/81/1076037681.db2.gz RLOSECPKVQCLPX-SFHVURJKSA-N 1 0 416.566 2.431 20 0 HEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC(C)(C)O1 ZINC000739079880 1076038914 /nfs/dbraw/zinc/03/89/14/1076038914.db2.gz HSLPSYRKYHGPSE-KRWDZBQOSA-N 1 0 416.566 2.429 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000739088194 1076042747 /nfs/dbraw/zinc/04/27/47/1076042747.db2.gz NJUCBPDAFMBYPT-KRWDZBQOSA-N 1 0 402.539 2.231 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N3CCCOC(C)(C)C3)cc2)CC1 ZINC000739090651 1076043318 /nfs/dbraw/zinc/04/33/18/1076043318.db2.gz UPKZYMTXCKZUFO-UHFFFAOYSA-N 1 0 416.566 2.431 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000739089991 1076043706 /nfs/dbraw/zinc/04/37/06/1076043706.db2.gz RTPGNKISTFQAEL-CHWSQXEVSA-N 1 0 417.453 2.101 20 0 HEADRO CCOC(=O)C1C(CN2CC[C@H](C[NH+]3CCCC3)C2)=NC(=O)N[C@H]1c1ccccc1 ZINC000739926986 1076094178 /nfs/dbraw/zinc/09/41/78/1076094178.db2.gz QRVDODSWGNWILZ-UTKZUKDTSA-N 1 0 412.534 2.275 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)N(CCc2ccccc2)CC[NH+](C)C)ccc1OC ZINC000739941247 1076095171 /nfs/dbraw/zinc/09/51/71/1076095171.db2.gz RQVHQDCRXCHANU-UHFFFAOYSA-N 1 0 420.531 2.277 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000740072565 1076100100 /nfs/dbraw/zinc/10/01/00/1076100100.db2.gz ORBCYRNZJDLIFW-DAWZGUTISA-N 1 0 412.575 2.478 20 0 HEADRO Cc1nccn1CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766247141 1076146399 /nfs/dbraw/zinc/14/63/99/1076146399.db2.gz MPZQEMUTFWNQAF-MOPGFXCFSA-N 1 0 419.570 2.419 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1)C[NH+]1CCCCC1 ZINC000740494244 1076173546 /nfs/dbraw/zinc/17/35/46/1076173546.db2.gz AHBCYOBZTVERMD-ZWKOTPCHSA-N 1 0 402.539 2.088 20 0 HEADRO CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000740496830 1076175362 /nfs/dbraw/zinc/17/53/62/1076175362.db2.gz ZZWUUPMNFZREFE-GKUQOKNUSA-N 1 0 401.507 2.440 20 0 HEADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2cccs2)cc1 ZINC000740522359 1076202919 /nfs/dbraw/zinc/20/29/19/1076202919.db2.gz AWUSIITZTZMYQH-HXUWFJFHSA-N 1 0 405.520 2.041 20 0 HEADRO COCCOC(=O)Nc1cccc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000740756578 1076227271 /nfs/dbraw/zinc/22/72/71/1076227271.db2.gz LOVZQGASOADBER-UHFFFAOYSA-N 1 0 421.542 2.371 20 0 HEADRO CC(C)n1ccc(CC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC000740751263 1076234201 /nfs/dbraw/zinc/23/42/01/1076234201.db2.gz XKXZGWMLDLUIMW-FQEVSTJZSA-N 1 0 410.566 2.462 20 0 HEADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000740750957 1076234365 /nfs/dbraw/zinc/23/43/65/1076234365.db2.gz RCOYSKYHRBYFMX-HXUWFJFHSA-N 1 0 402.539 2.120 20 0 HEADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000740804123 1076243893 /nfs/dbraw/zinc/24/38/93/1076243893.db2.gz ZDCGQLUDHLKMFU-PGRDOPGGSA-N 1 0 419.529 2.230 20 0 HEADRO C[C@H]1NC(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)=NN(c2ccccc2)C1=O ZINC000740847054 1076266451 /nfs/dbraw/zinc/26/64/51/1076266451.db2.gz MDXHVNSRQBTWML-RBUKOAKNSA-N 1 0 419.529 2.448 20 0 HEADRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000740890463 1076291510 /nfs/dbraw/zinc/29/15/10/1076291510.db2.gz WDMFRJPJWXCMSK-UHFFFAOYSA-N 1 0 403.504 2.396 20 0 HEADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000740925878 1076308090 /nfs/dbraw/zinc/30/80/90/1076308090.db2.gz WLBZTJXOLUFSLU-CQSZACIVSA-N 1 0 420.510 2.056 20 0 HEADRO C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766262184 1076318171 /nfs/dbraw/zinc/31/81/71/1076318171.db2.gz DBXSMXFEULCOBP-CYBMUJFWSA-N 1 0 400.566 2.499 20 0 HEADRO CC[C@@H](C(=O)OCC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)[NH+](CC)CC ZINC000741032224 1076331931 /nfs/dbraw/zinc/33/19/31/1076331931.db2.gz HWFRJEGRXFNLBU-HKUYNNGSSA-N 1 0 409.571 2.147 20 0 HEADRO CC[C@@H](C(=O)OCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)[NH+](CC)CC ZINC000741034140 1076332263 /nfs/dbraw/zinc/33/22/63/1076332263.db2.gz YIUQSSPNBZMGFR-SFHVURJKSA-N 1 0 421.563 2.478 20 0 HEADRO C[NH+]1CCN(C[C@H](NC(=O)NC[C@@H](O)c2c(F)cccc2F)c2ccccc2)CC1 ZINC000741084394 1076348734 /nfs/dbraw/zinc/34/87/34/1076348734.db2.gz MOIGSNSWXSRDHG-VQTJNVASSA-N 1 0 418.488 2.286 20 0 HEADRO C[NH+]1CCN(C[C@H](NC(=O)NC[C@@](C)(O)c2ccsc2)c2ccccc2)CC1 ZINC000741083937 1076348848 /nfs/dbraw/zinc/34/88/48/1076348848.db2.gz DBAPXTUXXMJDAT-PZJWPPBQSA-N 1 0 402.564 2.244 20 0 HEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccccc1C(=O)N(C)C ZINC000741109655 1076362567 /nfs/dbraw/zinc/36/25/67/1076362567.db2.gz TVVURTSCNBRRLC-GOSISDBHSA-N 1 0 422.529 2.450 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@](C)(O)CCC(C)C)cc2)CC1 ZINC000741104416 1076376964 /nfs/dbraw/zinc/37/69/64/1076376964.db2.gz BRCLGJNTMOPHOY-QFIPXVFZSA-N 1 0 404.555 2.070 20 0 HEADRO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000741117746 1076377851 /nfs/dbraw/zinc/37/78/51/1076377851.db2.gz CGOCPNDYNDTSTF-WIYYLYMNSA-N 1 0 401.507 2.115 20 0 HEADRO CNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000741120429 1076379549 /nfs/dbraw/zinc/37/95/49/1076379549.db2.gz GGUFNYLMGISLFR-FXAWDEMLSA-N 1 0 418.515 2.453 20 0 HEADRO COCCn1cc(C(=O)OC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(OC)cc2)ccc1=O ZINC000741120335 1076379561 /nfs/dbraw/zinc/37/95/61/1076379561.db2.gz DZYMQHUYUYEPRZ-RXVVDRJESA-N 1 0 400.475 2.353 20 0 HEADRO CCS(=O)(=O)N1CCC(C(=O)OC[C@H]2CC[N@H+](C)[C@H]2c2ccc(OC)cc2)CC1 ZINC000741124741 1076380730 /nfs/dbraw/zinc/38/07/30/1076380730.db2.gz PXBCZBXVTFRSDG-QUCCMNQESA-N 1 0 424.563 2.293 20 0 HEADRO O=C(CCCC[NH+]1CCCC1)N1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001066351877 1076381514 /nfs/dbraw/zinc/38/15/14/1076381514.db2.gz FZMZDUHHPHWSBD-NHHWGVFUSA-N 1 0 403.567 2.173 20 0 HEADRO 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ZINC000743073598 1076943212 /nfs/dbraw/zinc/94/32/12/1076943212.db2.gz KDDBNUDYRSVWOP-GOSISDBHSA-N 1 0 406.918 2.071 20 0 HEADRO C[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000743086688 1076956212 /nfs/dbraw/zinc/95/62/12/1076956212.db2.gz NUQNFHDLBHZRAG-HNNXBMFYSA-N 1 0 407.946 2.472 20 0 HEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000743106407 1076956747 /nfs/dbraw/zinc/95/67/47/1076956747.db2.gz CTNZFIZJPIPLTF-UHFFFAOYSA-N 1 0 411.550 2.386 20 0 HEADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743112069 1076960655 /nfs/dbraw/zinc/96/06/55/1076960655.db2.gz BOORVWBCYKXWCG-XYJFISCASA-N 1 0 419.522 2.222 20 0 HEADRO CC(C)OC(=O)NCc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000743157764 1076970841 /nfs/dbraw/zinc/97/08/41/1076970841.db2.gz FLDYKRHLBMDCEG-KRWDZBQOSA-N 1 0 405.543 2.326 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000743141217 1076974880 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419.595 2.258 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000743241500 1077012373 /nfs/dbraw/zinc/01/23/73/1077012373.db2.gz YLEAPLPQDIOZRS-UHFFFAOYSA-N 1 0 415.538 2.443 20 0 HEADRO CC(=O)N1CCC([NH2+]C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000743251272 1077014573 /nfs/dbraw/zinc/01/45/73/1077014573.db2.gz MLUIQYLUSAQJKM-PMACEKPBSA-N 1 0 405.539 2.084 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccnc3N3CCC(O)CC3)cc2)CC1 ZINC000743332603 1077029836 /nfs/dbraw/zinc/02/98/36/1077029836.db2.gz HZTWMRNWYYKRJM-UHFFFAOYSA-N 1 0 409.534 2.437 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(F)cc1F ZINC000743387297 1077039176 /nfs/dbraw/zinc/03/91/76/1077039176.db2.gz DGQWJDUSZZHHRA-UHFFFAOYSA-N 1 0 408.449 2.196 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(CN2C(=O)N[C@](CC)(c3ccc(OC)cc3)C2=O)C1 ZINC000743387508 1077039432 /nfs/dbraw/zinc/03/94/32/1077039432.db2.gz ISDOVKBJAGJGGY-HTAPYJJXSA-N 1 0 402.539 2.474 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(Cn2ncc(Br)c(Br)c2=O)C1 ZINC000743392782 1077040650 /nfs/dbraw/zinc/04/06/50/1077040650.db2.gz BBWDUOGPWCOPKD-LLVKDONJSA-N 1 0 422.165 2.390 20 0 HEADRO CC[C@H]1CN(CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000743399543 1077042759 /nfs/dbraw/zinc/04/27/59/1077042759.db2.gz BJXWVGRGJFGUBZ-GHTZIAJQSA-N 1 0 402.564 2.358 20 0 HEADRO CNC(=O)c1nn(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(=O)c2ccccc21 ZINC000743401842 1077043214 /nfs/dbraw/zinc/04/32/14/1077043214.db2.gz CHZSXAMJEMXXAP-IBGZPJMESA-N 1 0 419.529 2.168 20 0 HEADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000743425558 1077046185 /nfs/dbraw/zinc/04/61/85/1077046185.db2.gz ZWDLBVBIYUSXME-IBGZPJMESA-N 1 0 424.545 2.265 20 0 HEADRO CN(C)C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000743430013 1077046445 /nfs/dbraw/zinc/04/64/45/1077046445.db2.gz DHTZWCNOIMRBNC-IBGZPJMESA-N 1 0 422.529 2.355 20 0 HEADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)[NH+](C)C)cc1 ZINC000743414467 1077049686 /nfs/dbraw/zinc/04/96/86/1077049686.db2.gz YGEASTFFEZXUJA-FQEVSTJZSA-N 1 0 424.501 2.305 20 0 HEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000743435071 1077054644 /nfs/dbraw/zinc/05/46/44/1077054644.db2.gz XLLXEXYUCJBLET-BBWFWOEESA-N 1 0 420.529 2.224 20 0 HEADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000743474122 1077057182 /nfs/dbraw/zinc/05/71/82/1077057182.db2.gz IJNFVSCPOWRITK-JKSUJKDBSA-N 1 0 423.513 2.375 20 0 HEADRO CCN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000743547210 1077066468 /nfs/dbraw/zinc/06/64/68/1077066468.db2.gz AURUWCGEELCASX-GOSISDBHSA-N 1 0 411.591 2.055 20 0 HEADRO C[C@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000743621004 1077076464 /nfs/dbraw/zinc/07/64/64/1077076464.db2.gz VEIXUFFSVYTKFO-DLBZAZTESA-N 1 0 410.559 2.138 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000743625049 1077077214 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OBVKSJFLIHBKCD-HNNXBMFYSA-N 1 0 401.429 2.174 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000743846618 1077149023 /nfs/dbraw/zinc/14/90/23/1077149023.db2.gz RJSYODGRTUVCPQ-QYZOEREBSA-N 1 0 405.539 2.213 20 0 HEADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CCC2(CCCC2)C1 ZINC000743862982 1077149286 /nfs/dbraw/zinc/14/92/86/1077149286.db2.gz NFDZTVJRKVKJSC-QGZVFWFLSA-N 1 0 421.563 2.301 20 0 HEADRO Cc1c(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cccc1N1CCOC1=O ZINC000743880041 1077164565 /nfs/dbraw/zinc/16/45/65/1077164565.db2.gz PGMLHOFHOFUVJM-HNNXBMFYSA-N 1 0 402.495 2.271 20 0 HEADRO O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000743862158 1077185346 /nfs/dbraw/zinc/18/53/46/1077185346.db2.gz FGDCMZGKUCHESX-WOJBJXKFSA-N 1 0 420.579 2.162 20 0 HEADRO Cc1nc2cc(NC(=O)C(=O)N(CCc3ccccc3)CC[NH+](C)C)ccc2n1C ZINC000743890451 1077185354 /nfs/dbraw/zinc/18/53/54/1077185354.db2.gz YQNDOUXGKDENEP-UHFFFAOYSA-N 1 0 407.518 2.453 20 0 HEADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000743912535 1077188596 /nfs/dbraw/zinc/18/85/96/1077188596.db2.gz WLAHPFJDGQHHNR-LSDHHAIUSA-N 1 0 404.511 2.279 20 0 HEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000743915632 1077193865 /nfs/dbraw/zinc/19/38/65/1077193865.db2.gz ZWIZGJXGGGHZRZ-RDJZCZTQSA-N 1 0 405.470 2.065 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[NH+]1CCCCC1 ZINC000743895746 1077207296 /nfs/dbraw/zinc/20/72/96/1077207296.db2.gz UAQSXYMQCGMJNB-MRXNPFEDSA-N 1 0 409.490 2.263 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000743906994 1077221463 /nfs/dbraw/zinc/22/14/63/1077221463.db2.gz LWNMEGIILJOWEC-SFHVURJKSA-N 1 0 414.506 2.367 20 0 HEADRO CCCN1Cc2cccc(NC(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)c2C1 ZINC000743945023 1077240339 /nfs/dbraw/zinc/24/03/39/1077240339.db2.gz RPVFRFUZJDQKAG-LJQANCHMSA-N 1 0 414.550 2.110 20 0 HEADRO O=C(Nc1ccc(N2CCSCC2)cc1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000743919131 1077241318 /nfs/dbraw/zinc/24/13/18/1077241318.db2.gz DEFFKDSBXVLGFC-KRWDZBQOSA-N 1 0 402.564 2.123 20 0 HEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2F)CC1 ZINC000743919098 1077241504 /nfs/dbraw/zinc/24/15/04/1077241504.db2.gz BVWFQRQTYUKENH-UHFFFAOYSA-N 1 0 404.486 2.272 20 0 HEADRO Cc1cc([C@@](C)(O)CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c(C)o1 ZINC000743921148 1077244432 /nfs/dbraw/zinc/24/44/32/1077244432.db2.gz GFJRRBQQEGVVTR-QHCPKHFHSA-N 1 0 413.518 2.497 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)NCCCC(C)(C)CO)cc1)C1CC[NH+](C)CC1 ZINC000743922295 1077246247 /nfs/dbraw/zinc/24/62/47/1077246247.db2.gz UQBGTOHUPZCIAE-UHFFFAOYSA-N 1 0 404.555 2.070 20 0 HEADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C12CCC2 ZINC000743928165 1077252283 /nfs/dbraw/zinc/25/22/83/1077252283.db2.gz LUWHUBVKLCXZKA-VQTJNVASSA-N 1 0 414.550 2.231 20 0 HEADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H](SC)C2)c1 ZINC000743966835 1077272689 /nfs/dbraw/zinc/27/26/89/1077272689.db2.gz KYWGGJVIHVWXLP-ZWKOTPCHSA-N 1 0 420.579 2.097 20 0 HEADRO CC(C)COc1ccccc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743948520 1077277699 /nfs/dbraw/zinc/27/76/99/1077277699.db2.gz ZWEKBZNJCXMLKG-SFHVURJKSA-N 1 0 403.523 2.420 20 0 HEADRO O=C(Nc1ccccc1OC(F)(F)F)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743947983 1077278225 /nfs/dbraw/zinc/27/82/25/1077278225.db2.gz BTPHMKPCABCDCM-AWEZNQCLSA-N 1 0 415.412 2.283 20 0 HEADRO CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743951858 1077280268 /nfs/dbraw/zinc/28/02/68/1077280268.db2.gz JYUGWOWIZCRRCM-QGZVFWFLSA-N 1 0 414.550 2.488 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(/C=C\C(=O)OCC)cc2)C1 ZINC000743988632 1077281294 /nfs/dbraw/zinc/28/12/94/1077281294.db2.gz QIKUCVFPVZYVAS-IBWPDUFMSA-N 1 0 401.507 2.392 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000743978716 1077291562 /nfs/dbraw/zinc/29/15/62/1077291562.db2.gz NMLSCKYNNSHTPK-SFHVURJKSA-N 1 0 422.529 2.198 20 0 HEADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1NC(=O)c1ccncc1 ZINC000743979456 1077292543 /nfs/dbraw/zinc/29/25/43/1077292543.db2.gz GGGFRPRIDDXSPE-INIZCTEOSA-N 1 0 409.490 2.181 20 0 HEADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000744414852 1077377741 /nfs/dbraw/zinc/37/77/41/1077377741.db2.gz SGKKEPIZNLRAJZ-UHFFFAOYSA-N 1 0 408.458 2.129 20 0 HEADRO CCOC(=O)C1=C(CN2CC[C@H](C[NH+](CC)CC)C2)NC(=O)N[C@H]1c1ccco1 ZINC000744419238 1077378737 /nfs/dbraw/zinc/37/87/37/1077378737.db2.gz HPTACEHSWQYADT-BEFAXECRSA-N 1 0 404.511 2.114 20 0 HEADRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000744409579 1077383285 /nfs/dbraw/zinc/38/32/85/1077383285.db2.gz UCBANGJBBZIPBU-QAPCUYQASA-N 1 0 404.536 2.360 20 0 HEADRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000744409580 1077383391 /nfs/dbraw/zinc/38/33/91/1077383391.db2.gz UCBANGJBBZIPBU-YJBOKZPZSA-N 1 0 404.536 2.360 20 0 HEADRO NC(=O)c1c(NC(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)sc2c1CCCC2 ZINC000744409258 1077383723 /nfs/dbraw/zinc/38/37/23/1077383723.db2.gz OCVDJKWXASXTHG-HNNXBMFYSA-N 1 0 404.580 2.472 20 0 HEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000744410520 1077383917 /nfs/dbraw/zinc/38/39/17/1077383917.db2.gz LRKZKOBQJSOEIT-HNNXBMFYSA-N 1 0 403.495 2.428 20 0 HEADRO CC[NH+](CC)[C@@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)OCCOC)sc3[nH]2)C1 ZINC000744423707 1077387021 /nfs/dbraw/zinc/38/70/21/1077387021.db2.gz LOPBEVIRQUEHPQ-CQSZACIVSA-N 1 0 422.551 2.012 20 0 HEADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)C1 ZINC000744423892 1077387107 /nfs/dbraw/zinc/38/71/07/1077387107.db2.gz PQSPYVGRFPWORY-CBGDNZLLSA-N 1 0 418.563 2.481 20 0 HEADRO CCC1CCC2(CC1)NC(=O)N(CN1CCC(OCC[NH+]3CCCC3)CC1)C2=O ZINC000744441648 1077395994 /nfs/dbraw/zinc/39/59/94/1077395994.db2.gz QWJUZCYNDSEACV-UHFFFAOYSA-N 1 0 406.571 2.412 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC(=O)OC(C)(C)C ZINC000744449697 1077398583 /nfs/dbraw/zinc/39/85/83/1077398583.db2.gz BTSRCRBXPMNHNJ-CYBMUJFWSA-N 1 0 405.948 2.416 20 0 HEADRO O=C(NCCC[NH+]1CCCCC1)C1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000744454570 1077399627 /nfs/dbraw/zinc/39/96/27/1077399627.db2.gz WPIDWIZDXQFHFI-UHFFFAOYSA-N 1 0 424.549 2.112 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000744563956 1077473395 /nfs/dbraw/zinc/47/33/95/1077473395.db2.gz JMEKBVWWKZJURB-OAHLLOKOSA-N 1 0 421.925 2.225 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CCc2nnc(-c3ccsc3)o2)CC1 ZINC000744653797 1077539769 /nfs/dbraw/zinc/53/97/69/1077539769.db2.gz JZQNVJUZOWNLLK-UHFFFAOYSA-N 1 0 406.508 2.263 20 0 HEADRO CC(C)NC(=O)Nc1cccc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000744728925 1077558511 /nfs/dbraw/zinc/55/85/11/1077558511.db2.gz XYTTVQDBFRIQJE-UHFFFAOYSA-N 1 0 404.511 2.362 20 0 HEADRO CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000744759479 1077571073 /nfs/dbraw/zinc/57/10/73/1077571073.db2.gz KIXOWIOJILOQAE-RMKNXTFCSA-N 1 0 421.563 2.175 20 0 HEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC000744907920 1077661271 /nfs/dbraw/zinc/66/12/71/1077661271.db2.gz MAWHTXJNZYJLQN-INIZCTEOSA-N 1 0 412.538 2.457 20 0 HEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC000744907921 1077661775 /nfs/dbraw/zinc/66/17/75/1077661775.db2.gz MAWHTXJNZYJLQN-MRXNPFEDSA-N 1 0 412.538 2.457 20 0 HEADRO C[C@@H](OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)C(=O)N1CCOCC1 ZINC000744993355 1077698124 /nfs/dbraw/zinc/69/81/24/1077698124.db2.gz JQYGTCRPUASMSZ-ZWKOTPCHSA-N 1 0 404.507 2.344 20 0 HEADRO CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000745088401 1077725346 /nfs/dbraw/zinc/72/53/46/1077725346.db2.gz NKTWPNJVRSYFHB-JBACZVJFSA-N 1 0 401.551 2.429 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000745153811 1077760910 /nfs/dbraw/zinc/76/09/10/1077760910.db2.gz YXEQUNOLWNYUMC-UHFFFAOYSA-N 1 0 411.543 2.460 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000745229790 1077777155 /nfs/dbraw/zinc/77/71/55/1077777155.db2.gz KXFYWSKYPMPGEW-JFIYKMOQSA-N 1 0 410.461 2.085 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000745288497 1077804054 /nfs/dbraw/zinc/80/40/54/1077804054.db2.gz WUIARHGUCXPVDB-QZTJIDSGSA-N 1 0 402.491 2.094 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000766331138 1077813526 /nfs/dbraw/zinc/81/35/26/1077813526.db2.gz NSXALSXWTUPVNG-GCKMJXCFSA-N 1 0 402.495 2.277 20 0 HEADRO Cc1ncc(Cl)c(C(=O)O[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000745377784 1077817724 /nfs/dbraw/zinc/81/77/24/1077817724.db2.gz XCDLNGPDLUSREX-CZUORRHYSA-N 1 0 402.882 2.374 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2CCSc3ccccc32)C1 ZINC000745428825 1077823831 /nfs/dbraw/zinc/82/38/31/1077823831.db2.gz QXYNPIZBWIOLHV-FUHWJXTLSA-N 1 0 406.548 2.282 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)CN1CCOC[C@@H]1C[C@H](O)c1cccs1)c1ccccc1 ZINC000771762066 1079516002 /nfs/dbraw/zinc/51/60/02/1079516002.db2.gz DZPSSMRQSQLETH-ZCNNSNEGSA-N 1 0 417.575 2.292 20 0 HEADRO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766954646 1079518817 /nfs/dbraw/zinc/51/88/17/1079518817.db2.gz HURGQXMECGQVIR-ZTFGCOKTSA-N 1 0 400.479 2.106 20 0 HEADRO Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766956886 1079520856 /nfs/dbraw/zinc/52/08/56/1079520856.db2.gz XKBZGSXBXRODRQ-WOJBJXKFSA-N 1 0 400.523 2.120 20 0 HEADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(OC(F)F)cc2)cn1 ZINC000766956797 1079521616 /nfs/dbraw/zinc/52/16/16/1079521616.db2.gz XCQYNWKDAUUSMW-FUHWJXTLSA-N 1 0 408.449 2.226 20 0 HEADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NCCc2cccc3cccnc32)cn1 ZINC000766958199 1079521734 /nfs/dbraw/zinc/52/17/34/1079521734.db2.gz OFBFUIMRYUVBGW-LEWJYISDSA-N 1 0 407.518 2.215 20 0 HEADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000766940951 1079529567 /nfs/dbraw/zinc/52/95/67/1079529567.db2.gz QNZDYXJGDKCPEC-XLIONFOSSA-N 1 0 412.552 2.407 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)C1CC1 ZINC000766942792 1079531108 /nfs/dbraw/zinc/53/11/08/1079531108.db2.gz SKLMUOOIMMHDGK-JOCHJYFZSA-N 1 0 420.554 2.207 20 0 HEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000804345105 1079535164 /nfs/dbraw/zinc/53/51/64/1079535164.db2.gz JHXFUPAJXBEMDT-UHFFFAOYSA-N 1 0 404.518 2.157 20 0 HEADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)n[nH]1 ZINC000766945816 1079535603 /nfs/dbraw/zinc/53/56/03/1079535603.db2.gz JZZWMKMQKPNQRD-PXNSSMCTSA-N 1 0 423.521 2.349 20 0 HEADRO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766946510 1079535650 /nfs/dbraw/zinc/53/56/50/1079535650.db2.gz OEHBPZCIXTVSFV-FBBABVLZSA-N 1 0 400.523 2.200 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)[NH2+][C@H](CCO)C2CC2)ccc1C ZINC000771801958 1079536734 /nfs/dbraw/zinc/53/67/34/1079536734.db2.gz UYMXSZOCYQSOAU-MAUKXSAKSA-N 1 0 411.568 2.103 20 0 HEADRO CCOC(=O)C1=C(C[NH2+][C@H](CCO)C2CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000771802920 1079537453 /nfs/dbraw/zinc/53/74/53/1079537453.db2.gz YVHICGWXMPZDJN-QAPCUYQASA-N 1 0 407.898 2.262 20 0 HEADRO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766947559 1079538979 /nfs/dbraw/zinc/53/89/79/1079538979.db2.gz WLFAXFUPOXETSE-KKVAFCGZSA-N 1 0 406.477 2.334 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC[C@@H]21 ZINC000766988880 1079549390 /nfs/dbraw/zinc/54/93/90/1079549390.db2.gz DXYREQUCCBHZPR-BBRMVZONSA-N 1 0 401.479 2.038 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@H]21 ZINC000766990489 1079550893 /nfs/dbraw/zinc/55/08/93/1079550893.db2.gz SMKSPLVCIIDAMI-GDBMZVCRSA-N 1 0 404.580 2.471 20 0 HEADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CC(=O)NCCc2nc3ccccc3s2)cn1 ZINC000766963321 1079559958 /nfs/dbraw/zinc/55/99/58/1079559958.db2.gz WVBGXWVGAAEOTG-SJLPKXTDSA-N 1 0 413.547 2.277 20 0 HEADRO CCOC(=O)C1=C(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)NC(=O)N[C@H]1C ZINC000766964949 1079560569 /nfs/dbraw/zinc/56/05/69/1079560569.db2.gz BBYFGORKNNCQMJ-ULQDDVLXSA-N 1 0 400.523 2.100 20 0 HEADRO COCC[N@H+](C)CCCC1CCN(Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000766972422 1079567064 /nfs/dbraw/zinc/56/70/64/1079567064.db2.gz BLERBCKIKZGBCX-UHFFFAOYSA-N 1 0 401.573 2.100 20 0 HEADRO CCC[C@@H]1CN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC[N@@H+]1CCOC ZINC000766972251 1079567350 /nfs/dbraw/zinc/56/73/50/1079567350.db2.gz MIHFIDRQNHHGNZ-OAHLLOKOSA-N 1 0 422.595 2.097 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170035044 1079572444 /nfs/dbraw/zinc/57/24/44/1079572444.db2.gz MFZSPGPXOGRBSI-IHSNIMORSA-N 1 0 413.584 2.181 20 0 HEADRO 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O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000768721357 1080737333 /nfs/dbraw/zinc/73/73/33/1080737333.db2.gz ODWCTRHAYBDYJT-INIZCTEOSA-N 1 0 420.256 2.362 20 0 HEADRO CO[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C(F)(F)F ZINC000768723041 1080740283 /nfs/dbraw/zinc/74/02/83/1080740283.db2.gz VIQNKDKVFZMPLH-MRXNPFEDSA-N 1 0 417.428 2.183 20 0 HEADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000768688853 1080748227 /nfs/dbraw/zinc/74/82/27/1080748227.db2.gz FGHZUOPBVDGYOF-HZSPNIEDSA-N 1 0 409.449 2.154 20 0 HEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1CCC(O)(c2cccnc2)CC1)CC(C)C ZINC000786648444 1080754366 /nfs/dbraw/zinc/75/43/66/1080754366.db2.gz HDXFYNLYRPGGER-KQVJYAISSA-N 1 0 418.582 2.201 20 0 HEADRO CC[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H](O)c1c(F)cccc1F ZINC000768730282 1080758008 /nfs/dbraw/zinc/75/80/08/1080758008.db2.gz ZSWKTAKAFCJMDN-WMZOPIPTSA-N 1 0 415.400 2.112 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCOC[C@H]3C[C@H](O)c3ccco3)n2)CC1 ZINC000786699757 1080761569 /nfs/dbraw/zinc/76/15/69/1080761569.db2.gz PYLRPVWDVTWJNR-SJORKVTESA-N 1 0 403.483 2.099 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000786710051 1080765458 /nfs/dbraw/zinc/76/54/58/1080765458.db2.gz XYPYFVMUBQZJTI-QGZVFWFLSA-N 1 0 424.586 2.130 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000786712480 1080766225 /nfs/dbraw/zinc/76/62/25/1080766225.db2.gz HVDLGUCOVAUNCM-SFHVURJKSA-N 1 0 419.551 2.022 20 0 HEADRO O=C(NCc1ccccc1C(F)(F)F)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000786681243 1080775028 /nfs/dbraw/zinc/77/50/28/1080775028.db2.gz GYLSBJFLUNAERG-MRXNPFEDSA-N 1 0 413.440 2.081 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000786726956 1080778114 /nfs/dbraw/zinc/77/81/14/1080778114.db2.gz WLUABFNKGHLVFK-UHFFFAOYSA-N 1 0 413.588 2.210 20 0 HEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCOc2ccccc2C(=O)[O-])CC1 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BEGOPPLNMSWQIL-IEBWSBKVSA-N 1 0 402.495 2.451 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000786903232 1080876679 /nfs/dbraw/zinc/87/66/79/1080876679.db2.gz WSTZMDIZLUBBKR-SFHVURJKSA-N 1 0 414.550 2.317 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2)CCO1 ZINC000768994691 1080879512 /nfs/dbraw/zinc/87/95/12/1080879512.db2.gz HIZTVMDPIXNEGY-MAODMQOUSA-N 1 0 402.539 2.411 20 0 HEADRO CC1CCC2(CC1)NC(=O)N(CC(=O)OCC[N@H+](C)Cc1ccc(F)cc1)C2=O ZINC000769042022 1080892740 /nfs/dbraw/zinc/89/27/40/1080892740.db2.gz CJFXOXZOQCQWGE-UHFFFAOYSA-N 1 0 405.470 2.301 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC001169998388 1080892962 /nfs/dbraw/zinc/89/29/62/1080892962.db2.gz MNGNNGFUARBPMW-QGZVFWFLSA-N 1 0 413.559 2.020 20 0 HEADRO CCOC(CC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)OCC ZINC000786969493 1080895369 /nfs/dbraw/zinc/89/53/69/1080895369.db2.gz FDTSDCMUKSSNHF-UHFFFAOYSA-N 1 0 400.541 2.227 20 0 HEADRO CC(C)c1ccc(C2(O)CCC([NH2+]CCN3CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000769010666 1080898145 /nfs/dbraw/zinc/89/81/45/1080898145.db2.gz DMVPYPUBRXZRMB-UHFFFAOYSA-N 1 0 423.623 2.107 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)[nH]n2)C1 ZINC000786993130 1080902906 /nfs/dbraw/zinc/90/29/06/1080902906.db2.gz LBVCZBZINLCHHR-RLFYNMQTSA-N 1 0 403.527 2.491 20 0 HEADRO O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000769097566 1080906789 /nfs/dbraw/zinc/90/67/89/1080906789.db2.gz JJZIXITYICKTSW-NXHRZFHOSA-N 1 0 415.456 2.019 20 0 HEADRO CCC[C@@H](CCCS(C)(=O)=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC001169998726 1080921190 /nfs/dbraw/zinc/92/11/90/1080921190.db2.gz MUFHXZQQFASHOF-SFHVURJKSA-N 1 0 402.601 2.331 20 0 HEADRO C[N@H+](CCOC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccc(F)cc1 ZINC000769069517 1080923845 /nfs/dbraw/zinc/92/38/45/1080923845.db2.gz YUJWJTJSBSNOIL-UHFFFAOYSA-N 1 0 400.859 2.415 20 0 HEADRO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000769110554 1080938413 /nfs/dbraw/zinc/93/84/13/1080938413.db2.gz WAVMPEOKBNGFKD-XZOQPEGZSA-N 1 0 410.562 2.486 20 0 HEADRO C[C@@]1(CNC(=O)C(=O)NCCn2cnc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000786985707 1080940029 /nfs/dbraw/zinc/94/00/29/1080940029.db2.gz OZAVTFJREYDCDO-DEOSSOPVSA-N 1 0 419.529 2.181 20 0 HEADRO O=C(CCNS(=O)(=O)c1ccccc1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000772693042 1080941072 /nfs/dbraw/zinc/94/10/72/1080941072.db2.gz ZRLQKEKBLYCXCI-UHFFFAOYSA-N 1 0 406.504 2.403 20 0 HEADRO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769126233 1080946043 /nfs/dbraw/zinc/94/60/43/1080946043.db2.gz WATWLWAWZPZSKW-QGZVFWFLSA-N 1 0 407.559 2.302 20 0 HEADRO C[N@H+](CCNC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000769143581 1080958217 /nfs/dbraw/zinc/95/82/17/1080958217.db2.gz NKNDSUNNMXOPDQ-UHFFFAOYSA-N 1 0 404.555 2.224 20 0 HEADRO CN(C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1)C(=O)OC(C)(C)C ZINC000769149677 1080969402 /nfs/dbraw/zinc/96/94/02/1080969402.db2.gz GFTPATYQVICLGQ-QXAKKESOSA-N 1 0 424.586 2.263 20 0 HEADRO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000769150871 1080970261 /nfs/dbraw/zinc/97/02/61/1080970261.db2.gz TVDCSZVLDIMHLD-SFHVURJKSA-N 1 0 419.570 2.389 20 0 HEADRO CCc1ccc(N2CCN(C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)cc1 ZINC000769152482 1080971839 /nfs/dbraw/zinc/97/18/39/1080971839.db2.gz FCIIDRAHMYJLTL-FCHUYYIVSA-N 1 0 400.567 2.458 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000769153469 1080972930 /nfs/dbraw/zinc/97/29/30/1080972930.db2.gz HLMBXHAHLVFESH-QZTJIDSGSA-N 1 0 410.559 2.063 20 0 HEADRO O=C(NC[C@H](O)c1ccccc1C(F)(F)F)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000769157065 1080976399 /nfs/dbraw/zinc/97/63/99/1080976399.db2.gz SUNGAABZRJJMKT-BZSNNMDCSA-N 1 0 415.456 2.416 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000769158115 1080977009 /nfs/dbraw/zinc/97/70/09/1080977009.db2.gz YIJQZAYUJYJYFF-QXAKKESOSA-N 1 0 424.586 2.311 20 0 HEADRO C[C@@H](OC(=O)C(F)(F)C1(O)CCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769159128 1080978185 /nfs/dbraw/zinc/97/81/85/1080978185.db2.gz XXRSKKMHYHFQEQ-WBVHZDCISA-N 1 0 410.461 2.249 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C2=O)cc1 ZINC000769160488 1080978308 /nfs/dbraw/zinc/97/83/08/1080978308.db2.gz IRNCBDYGIXXGGR-PCCBWWKXSA-N 1 0 414.550 2.167 20 0 HEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000769160511 1080979000 /nfs/dbraw/zinc/97/90/00/1080979000.db2.gz JGFROBBVJPKOMF-QYZOEREBSA-N 1 0 424.586 2.405 20 0 HEADRO O=C(NCc1nc(Cc2ccccc2)no1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000769165611 1080982767 /nfs/dbraw/zinc/98/27/67/1080982767.db2.gz ZTOZIXIJGGSYEW-OALUTQOASA-N 1 0 413.522 2.228 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000769165617 1080983365 /nfs/dbraw/zinc/98/33/65/1080983365.db2.gz ZVKCHKGZCWLRCO-UHOSZYNNSA-N 1 0 424.586 2.311 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc3nnc(C(C)(C)C)n3c2)CC1 ZINC000769205553 1081001792 /nfs/dbraw/zinc/00/17/92/1081001792.db2.gz LDXZIMBOVDNPPB-UHFFFAOYSA-N 1 0 401.511 2.173 20 0 HEADRO CCCN(Cc1ccc(F)cc1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787117579 1081007446 /nfs/dbraw/zinc/00/74/46/1081007446.db2.gz RJFBUMWQBWQGGV-HXUWFJFHSA-N 1 0 405.514 2.324 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCOC4(CCOCC4)CC3)cc2)CC1 ZINC000769228596 1081009099 /nfs/dbraw/zinc/00/90/99/1081009099.db2.gz CVJCQZMLILBMTD-UHFFFAOYSA-N 1 0 416.566 2.039 20 0 HEADRO Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000787120091 1081009207 /nfs/dbraw/zinc/00/92/07/1081009207.db2.gz BPGWIGXWRADJRK-SYYKKAFVSA-N 1 0 413.562 2.459 20 0 HEADRO C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787101697 1081013597 /nfs/dbraw/zinc/01/35/97/1081013597.db2.gz DLYMXEQJXLBMSB-SYYKKAFVSA-N 1 0 413.562 2.226 20 0 HEADRO O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787102991 1081014547 /nfs/dbraw/zinc/01/45/47/1081014547.db2.gz HZQNRLWMJGWATO-WMQCIHAUSA-N 1 0 417.525 2.338 20 0 HEADRO CCn1c(=S)n(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)nc1-c1cnccn1 ZINC000746637719 1081015121 /nfs/dbraw/zinc/01/51/21/1081015121.db2.gz KRABTWVLRHCBMN-USXIJHARSA-N 1 0 403.556 2.032 20 0 HEADRO C[NH+]1CCC(O)(CNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000769248553 1081015814 /nfs/dbraw/zinc/01/58/14/1081015814.db2.gz IWDSTHCSLVKTHV-GOSISDBHSA-N 1 0 403.523 2.094 20 0 HEADRO C[C@@H]1OCc2c1nc(Cl)nc2N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170067791 1081017388 /nfs/dbraw/zinc/01/73/88/1081017388.db2.gz WXFOKUVCEYAKCR-NSHDSACASA-N 1 0 419.894 2.423 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000769253231 1081017777 /nfs/dbraw/zinc/01/77/77/1081017777.db2.gz LWXYEYAFECUFHK-CYBMUJFWSA-N 1 0 409.412 2.430 20 0 HEADRO Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000769258258 1081019286 /nfs/dbraw/zinc/01/92/86/1081019286.db2.gz ABAVZPJZBKLVSC-MRXNPFEDSA-N 1 0 401.486 2.308 20 0 HEADRO C[C@@H]1c2c(F)cccc2CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787131442 1081019624 /nfs/dbraw/zinc/01/96/24/1081019624.db2.gz UUOQDCAHXVEQRH-CRAIPNDOSA-N 1 0 403.498 2.031 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000746648677 1081020926 /nfs/dbraw/zinc/02/09/26/1081020926.db2.gz QAPZXNWXVUOSOL-BLRBJFNZSA-N 1 0 409.552 2.031 20 0 HEADRO C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](c2ccco2)C1 ZINC000787135535 1081021878 /nfs/dbraw/zinc/02/18/78/1081021878.db2.gz ACNQVBVSXXKKFF-BHIYHBOVSA-N 1 0 403.523 2.339 20 0 HEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)no1 ZINC000787140487 1081024683 /nfs/dbraw/zinc/02/46/83/1081024683.db2.gz SMIRJMVFAHDUEI-OAQYLSRUSA-N 1 0 410.518 2.470 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000787141450 1081025239 /nfs/dbraw/zinc/02/52/39/1081025239.db2.gz VCRNOPJCZTTXCN-WOJBJXKFSA-N 1 0 417.575 2.063 20 0 HEADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000787143827 1081026773 /nfs/dbraw/zinc/02/67/73/1081026773.db2.gz MQWIXJOPMDZVDO-QFIPXVFZSA-N 1 0 424.545 2.053 20 0 HEADRO O=C(N[C@H]1Cc2ccc(Cl)cc2C1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000787143185 1081027060 /nfs/dbraw/zinc/02/70/60/1081027060.db2.gz HPFSLHASYDJPDK-FQEVSTJZSA-N 1 0 412.921 2.099 20 0 HEADRO O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000787143186 1081027131 /nfs/dbraw/zinc/02/71/31/1081027131.db2.gz HPFSLHASYDJPDK-HXUWFJFHSA-N 1 0 412.921 2.099 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCc2ccc([C@H](C)O)cc2)CC1 ZINC000787144965 1081028217 /nfs/dbraw/zinc/02/82/17/1081028217.db2.gz TWCHTQSTFQSZIJ-SFHVURJKSA-N 1 0 409.530 2.445 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CN1c2ccc(Br)cc2C(=O)C1=O ZINC000746646472 1081031322 /nfs/dbraw/zinc/03/13/22/1081031322.db2.gz GKSQHXAQDJJIFE-XYPHTWIQSA-N 1 0 422.323 2.119 20 0 HEADRO C[C@H](Cc1ccco1)NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000787155370 1081033108 /nfs/dbraw/zinc/03/31/08/1081033108.db2.gz DHJKNSLTDVKBDC-KURKYZTESA-N 1 0 413.518 2.252 20 0 HEADRO Cc1ccc(C[C@@H](C)N(C)C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000787125158 1081035012 /nfs/dbraw/zinc/03/50/12/1081035012.db2.gz OEKOYYFIJLZKKM-NQIIRXRSSA-N 1 0 401.551 2.144 20 0 HEADRO Cc1ccc(C[C@H](C)N(C)C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000787125160 1081035023 /nfs/dbraw/zinc/03/50/23/1081035023.db2.gz OEKOYYFIJLZKKM-RXVVDRJESA-N 1 0 401.551 2.144 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000787125932 1081035361 /nfs/dbraw/zinc/03/53/61/1081035361.db2.gz QRHGFNIXJPXWAO-MOPGFXCFSA-N 1 0 403.523 2.483 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000787125933 1081035413 /nfs/dbraw/zinc/03/54/13/1081035413.db2.gz QRHGFNIXJPXWAO-OALUTQOASA-N 1 0 403.523 2.483 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000787125934 1081035501 /nfs/dbraw/zinc/03/55/01/1081035501.db2.gz QRHGFNIXJPXWAO-RBUKOAKNSA-N 1 0 403.523 2.483 20 0 HEADRO CON(CC1CCOCC1)C(=O)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000787159086 1081037904 /nfs/dbraw/zinc/03/79/04/1081037904.db2.gz XRFTZYYJEUCKAS-UHFFFAOYSA-N 1 0 417.550 2.351 20 0 HEADRO CSCC[C@@H](C)NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000787160244 1081039033 /nfs/dbraw/zinc/03/90/33/1081039033.db2.gz VJHNEQPNTDAYON-ZACQAIPSSA-N 1 0 407.580 2.170 20 0 HEADRO CC(=O)[C@@H]1CC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)=NN1c1ccccc1 ZINC000769312278 1081039049 /nfs/dbraw/zinc/03/90/49/1081039049.db2.gz DODQKYVVIYOTHE-FKBYEOEOSA-N 1 0 412.534 2.094 20 0 HEADRO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000769312344 1081039084 /nfs/dbraw/zinc/03/90/84/1081039084.db2.gz DXQGGCJKGRBXPC-BBWFWOEESA-N 1 0 413.584 2.181 20 0 HEADRO CC[NH+]1CCN(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)CC1 ZINC000769321283 1081042136 /nfs/dbraw/zinc/04/21/36/1081042136.db2.gz ZVCZJNURTFCLMZ-NRFANRHFSA-N 1 0 401.551 2.227 20 0 HEADRO O=C1C[C@@H](c2cc(F)c(F)c(F)c2)CN1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000787217312 1081052561 /nfs/dbraw/zinc/05/25/61/1081052561.db2.gz YGXNTCAKHBYQRO-QGZVFWFLSA-N 1 0 411.468 2.422 20 0 HEADRO C[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746662045 1081055170 /nfs/dbraw/zinc/05/51/70/1081055170.db2.gz WPTDXUWIORMBTF-QGZVFWFLSA-N 1 0 419.522 2.274 20 0 HEADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000787191935 1081056546 /nfs/dbraw/zinc/05/65/46/1081056546.db2.gz HOVKQDANXNDOTG-MOPGFXCFSA-N 1 0 403.523 2.217 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000769384555 1081059631 /nfs/dbraw/zinc/05/96/31/1081059631.db2.gz LWIQOEYBQMNIFX-LJQANCHMSA-N 1 0 405.539 2.497 20 0 HEADRO CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000769385274 1081060024 /nfs/dbraw/zinc/06/00/24/1081060024.db2.gz PVLUROUDSFMIBK-LJQANCHMSA-N 1 0 402.539 2.173 20 0 HEADRO CC(C)(NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCOCC1 ZINC000787210779 1081063740 /nfs/dbraw/zinc/06/37/40/1081063740.db2.gz YUDYNTQSDRLAAD-IBGZPJMESA-N 1 0 416.566 2.388 20 0 HEADRO [NH3+]CCN(c1ncnc2cnc(Cl)cc21)S(=O)(=O)c1cccc2cnccc21 ZINC001170070842 1081067003 /nfs/dbraw/zinc/06/70/03/1081067003.db2.gz IJYXDUDOXHQSGA-UHFFFAOYSA-N 1 0 414.878 2.380 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000769423006 1081068931 /nfs/dbraw/zinc/06/89/31/1081068931.db2.gz ITVVUHOCTRTUPD-JJRVBVJISA-N 1 0 420.000 2.349 20 0 HEADRO CCCn1c(=O)cc(Nc2cccc3cc([C@@H]4C[NH2+]CCO4)cn32)n(CCC)c1=O ZINC001170006558 1081078983 /nfs/dbraw/zinc/07/89/83/1081078983.db2.gz INNAHJFGDOGLQY-SFHVURJKSA-N 1 0 411.506 2.487 20 0 HEADRO COc1cc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1OC(C)C ZINC000787232467 1081081175 /nfs/dbraw/zinc/08/11/75/1081081175.db2.gz DSQZUDQSCVNWPX-SFHVURJKSA-N 1 0 403.523 2.185 20 0 HEADRO COc1cc(CNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)ccc1OC(C)C ZINC000787232567 1081081183 /nfs/dbraw/zinc/08/11/83/1081081183.db2.gz PYQWZPXXCPITRP-UHFFFAOYSA-N 1 0 405.539 2.337 20 0 HEADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000769491138 1081081394 /nfs/dbraw/zinc/08/13/94/1081081394.db2.gz YFECVPODXYBONP-SQNIBIBYSA-N 1 0 405.543 2.450 20 0 HEADRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000769491288 1081081469 /nfs/dbraw/zinc/08/14/69/1081081469.db2.gz LKDISVXEWVLEAT-FUHWJXTLSA-N 1 0 421.538 2.429 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1OC(C)C ZINC000787234271 1081082476 /nfs/dbraw/zinc/08/24/76/1081082476.db2.gz ZVKMNLRCPNQZKE-SFHVURJKSA-N 1 0 405.539 2.193 20 0 HEADRO COc1cc(CNC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1OC(C)C ZINC000787239440 1081085520 /nfs/dbraw/zinc/08/55/20/1081085520.db2.gz LPZBHVZRYHCDGT-IRXDYDNUSA-N 1 0 405.539 2.335 20 0 HEADRO COc1cc(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1OC(C)C ZINC000787239048 1081086225 /nfs/dbraw/zinc/08/62/25/1081086225.db2.gz WYXLKLXEUPJSBA-UHFFFAOYSA-N 1 0 405.539 2.337 20 0 HEADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NCc2ncc(C)c(OC)c2C)c1 ZINC000787287228 1081093375 /nfs/dbraw/zinc/09/33/75/1081093375.db2.gz BFLILLFQZJYDSY-UHFFFAOYSA-N 1 0 412.534 2.481 20 0 HEADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000787292565 1081095699 /nfs/dbraw/zinc/09/56/99/1081095699.db2.gz SVROIZOURNPZPD-NRFANRHFSA-N 1 0 407.514 2.409 20 0 HEADRO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000787296546 1081096914 /nfs/dbraw/zinc/09/69/14/1081096914.db2.gz MPXPWQHLVIOLMH-GJZGRUSLSA-N 1 0 420.510 2.432 20 0 HEADRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000769507391 1081101097 /nfs/dbraw/zinc/10/10/97/1081101097.db2.gz AOXNQZVNIXDQNI-NVXWUHKLSA-N 1 0 403.589 2.474 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000769509454 1081102431 /nfs/dbraw/zinc/10/24/31/1081102431.db2.gz ZHXUZKSPBKMUJC-JKSUJKDBSA-N 1 0 402.992 2.368 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000769516352 1081104991 /nfs/dbraw/zinc/10/49/91/1081104991.db2.gz SVPYPGPJRKFICE-SJORKVTESA-N 1 0 415.003 2.368 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c(=O)[nH]c1=O ZINC000769638097 1081156568 /nfs/dbraw/zinc/15/65/68/1081156568.db2.gz JNOYADKGAHIFNZ-UHFFFAOYSA-N 1 0 414.572 2.070 20 0 HEADRO CCn1c2ccccc2nc(N2CCC(C(=O)NCCC[NH+](CC)CC)CC2)c1=O ZINC000064873607 569114025 /nfs/dbraw/zinc/11/40/25/569114025.db2.gz DCHKWRIEUTZVSH-UHFFFAOYSA-N 1 0 413.566 2.481 20 0 HEADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)c2c1C ZINC001164408676 718853362 /nfs/dbraw/zinc/85/33/62/718853362.db2.gz SEWHEJQBECYUPE-HRAATJIYSA-N 1 0 401.580 2.312 20 0 HEADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164403393 718862565 /nfs/dbraw/zinc/86/25/65/718862565.db2.gz NIHKNLGKRYHNRO-GXTWGEPZSA-N 1 0 416.856 2.056 20 0 HEADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001164419946 718892515 /nfs/dbraw/zinc/89/25/15/718892515.db2.gz SKHOPOYOZAFZKY-AWEZNQCLSA-N 1 0 408.902 2.286 20 0 HEADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1 ZINC001164422656 718944056 /nfs/dbraw/zinc/94/40/56/718944056.db2.gz ANYNFNYDKKTNMY-HIFRSBDPSA-N 1 0 414.865 2.003 20 0 HEADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164433496 718967782 /nfs/dbraw/zinc/96/77/82/718967782.db2.gz LSUHLUJKUGSKKH-STQMWFEESA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)nc1)C2 ZINC001164435080 718968587 /nfs/dbraw/zinc/96/85/87/718968587.db2.gz YQEXAXBCHPHASP-CHWSQXEVSA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164435202 718969757 /nfs/dbraw/zinc/96/97/57/718969757.db2.gz ZZKZTTWKKLOVNX-STQMWFEESA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164435109 718970154 /nfs/dbraw/zinc/97/01/54/718970154.db2.gz ZCQOUJLYLPBMRZ-OLZOCXBDSA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(CO)c3C(OC)OC)CC2)CC1 ZINC001164617360 719030189 /nfs/dbraw/zinc/03/01/89/719030189.db2.gz KMWTUXURWKWDGT-UHFFFAOYSA-N 1 0 421.538 2.109 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCSCC4)ncn3)CC2)CC1 ZINC001164618873 719034120 /nfs/dbraw/zinc/03/41/20/719034120.db2.gz ZRHRXMCUFBSKQO-UHFFFAOYSA-N 1 0 419.595 2.274 20 0 HEADRO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2nc3c(c(N4CCOCC4)n2)CNC3)cc1 ZINC001164628035 719093705 /nfs/dbraw/zinc/09/37/05/719093705.db2.gz LVDUZOGLLKTTQM-UGKGYDQZSA-N 1 0 420.561 2.017 20 0 HEADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164629713 719135233 /nfs/dbraw/zinc/13/52/33/719135233.db2.gz CIPZDWPINNLHAJ-HNNXBMFYSA-N 1 0 415.563 2.117 20 0 HEADRO O=C([C@@H]1C[C@H]2OCC[C@H]2N(c2cccc(OCC[NH+]3CCCC3)n2)C1)N1CCCC1 ZINC001164677590 719540426 /nfs/dbraw/zinc/54/04/26/719540426.db2.gz GEVYYXPMVWOQFD-VAMGGRTRSA-N 1 0 414.550 2.162 20 0 HEADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(N(C)C)nc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164680182 719650354 /nfs/dbraw/zinc/65/03/54/719650354.db2.gz RSMSJILMXJJOGD-UHFFFAOYSA-N 1 0 413.904 2.476 20 0 HEADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164682711 719692212 /nfs/dbraw/zinc/69/22/12/719692212.db2.gz CYGURJLZQZWPQU-SFHVURJKSA-N 1 0 424.549 2.202 20 0 HEADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164684679 719724154 /nfs/dbraw/zinc/72/41/54/719724154.db2.gz JJMOGNHWLLULSA-UHFFFAOYSA-N 1 0 408.930 2.401 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc([C@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164690156 719737972 /nfs/dbraw/zinc/73/79/72/719737972.db2.gz UOIPCTUNVWFNJX-LJQANCHMSA-N 1 0 414.550 2.319 20 0 HEADRO O=C1C[C@@H]2[C@H](CCN2c2cccc(OCC[NH+]3CCCC3)n2)N1Cc1cccnc1 ZINC001164693168 719770854 /nfs/dbraw/zinc/77/08/54/719770854.db2.gz XVHOOAUQSHWZRS-VQTJNVASSA-N 1 0 407.518 2.331 20 0 HEADRO CN(C)c1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc2nc[nH]c21 ZINC001164698192 719894402 /nfs/dbraw/zinc/89/44/02/719894402.db2.gz PNFQITUJHDBRHY-UHFFFAOYSA-N 1 0 413.551 2.352 20 0 HEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3c(cn1)NC(=O)C3)CC2 ZINC001164712140 720100757 /nfs/dbraw/zinc/10/07/57/720100757.db2.gz VWZKYENIGVMVHI-LJQANCHMSA-N 1 0 407.518 2.479 20 0 HEADRO CCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc(N2CCOCC2)n1 ZINC001164811764 720141490 /nfs/dbraw/zinc/14/14/90/720141490.db2.gz NECARCXXWDAMPN-XXBNENTESA-N 1 0 415.582 2.060 20 0 HEADRO CCNC(=O)c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164710868 720148651 /nfs/dbraw/zinc/14/86/51/720148651.db2.gz FGBJVSAYHDABDR-IBGZPJMESA-N 1 0 424.549 2.129 20 0 HEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(Cn3ccccc3=O)cn1)C2 ZINC001164812443 720173881 /nfs/dbraw/zinc/17/38/81/720173881.db2.gz ARXVXXXZOLWCCY-XUZZJYLKSA-N 1 0 408.546 2.476 20 0 HEADRO COc1cc(Cl)cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164716512 720180044 /nfs/dbraw/zinc/18/00/44/720180044.db2.gz GFUYPGKYWYUARZ-INIZCTEOSA-N 1 0 406.918 2.088 20 0 HEADRO COc1ccc(Cl)c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164715926 720182863 /nfs/dbraw/zinc/18/28/63/720182863.db2.gz DPYFSWUPPDPFNS-INIZCTEOSA-N 1 0 406.918 2.088 20 0 HEADRO Cn1nnc2c1CCN(c1ncnc3cccc(F)c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164717709 720184832 /nfs/dbraw/zinc/18/48/32/720184832.db2.gz LTNZNPPFVOKSLS-SFHVURJKSA-N 1 0 411.485 2.114 20 0 HEADRO COCCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001164819934 720195468 /nfs/dbraw/zinc/19/54/68/720195468.db2.gz ZCBNEQSVGSCECM-KNQAVFIVSA-N 1 0 403.523 2.070 20 0 HEADRO Cc1cc2cccnc2c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164718269 720201588 /nfs/dbraw/zinc/20/15/88/720201588.db2.gz ZECIOKUFEVYZQT-IBGZPJMESA-N 1 0 407.522 2.283 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(Cl)nn1)CCC2 ZINC001164814688 720213923 /nfs/dbraw/zinc/21/39/23/720213923.db2.gz WKFGTLSCWLDENA-UHFFFAOYSA-N 1 0 412.872 2.482 20 0 HEADRO COC(OC)c1cc(C)cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812739 720232393 /nfs/dbraw/zinc/23/23/93/720232393.db2.gz HVRABEWXPGPSNA-UHFFFAOYSA-N 1 0 415.538 2.489 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(N3CCCCC3)nn2)CC1 ZINC001164818490 720287473 /nfs/dbraw/zinc/28/74/73/720287473.db2.gz LVMWEUKNMUCYEC-WOJBJXKFSA-N 1 0 412.582 2.378 20 0 HEADRO CCOC(=O)c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164823103 720289551 /nfs/dbraw/zinc/28/95/51/720289551.db2.gz OKYVOYCZQJDDJP-MOPGFXCFSA-N 1 0 400.523 2.170 20 0 HEADRO COC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164819289 720306913 /nfs/dbraw/zinc/30/69/13/720306913.db2.gz DJHICWRQNREQDT-RTBURBONSA-N 1 0 400.523 2.088 20 0 HEADRO COC(=O)c1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164830840 720316618 /nfs/dbraw/zinc/31/66/18/720316618.db2.gz QDSLOCDXGMPVDK-IAGOWNOFSA-N 1 0 420.941 2.433 20 0 HEADRO Cc1noc(-c2ccnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2)n1 ZINC001164829412 720342707 /nfs/dbraw/zinc/34/27/07/720342707.db2.gz SGYCWWXYTNTJDI-MOPGFXCFSA-N 1 0 410.522 2.352 20 0 HEADRO CCOC(=O)c1nnc(SC)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724555 720360057 /nfs/dbraw/zinc/36/00/57/720360057.db2.gz KSGYBBVOSQJEOY-CABCVRRESA-N 1 0 400.508 2.018 20 0 HEADRO CCOC(=O)c1nnc(SC)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724560 720361166 /nfs/dbraw/zinc/36/11/66/720361166.db2.gz KSGYBBVOSQJEOY-LSDHHAIUSA-N 1 0 400.508 2.018 20 0 HEADRO COC(=O)C1CCN(c2nccnc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)CC1 ZINC001164725429 720409809 /nfs/dbraw/zinc/40/98/09/720409809.db2.gz 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C[N@H+](Cc1ccc(N2CC[C@@]3(C2)C[C@H](NC(=O)c2cnccn2)CCO3)nc1)C1CC1 ZINC001164871134 721216208 /nfs/dbraw/zinc/21/62/08/721216208.db2.gz IERYMLRATJEGCH-JPYJTQIMSA-N 1 0 422.533 2.024 20 0 HEADRO Cc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nn2)cc1 ZINC001164875630 721284425 /nfs/dbraw/zinc/28/44/25/721284425.db2.gz YFCMJBRMIYMVEG-UHFFFAOYSA-N 1 0 423.561 2.459 20 0 HEADRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164778304 721324568 /nfs/dbraw/zinc/32/45/68/721324568.db2.gz OWAOJJKOXXVRFM-UHFFFAOYSA-N 1 0 420.517 2.331 20 0 HEADRO O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164884169 721343779 /nfs/dbraw/zinc/34/37/79/721343779.db2.gz MSYQPYQDVKLBGG-WMZHIEFXSA-N 1 0 414.550 2.068 20 0 HEADRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1NC1CC1 ZINC001164890874 721379158 /nfs/dbraw/zinc/37/91/58/721379158.db2.gz OSJHMCGSHFKGJW-SIKLNZKXSA-N 1 0 400.571 2.125 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncn4)C3)O2)CC1 ZINC001164885649 721379165 /nfs/dbraw/zinc/37/91/65/721379165.db2.gz CXTKHERYBCOFFH-YJBOKZPZSA-N 1 0 415.916 2.440 20 0 HEADRO C[N@H+](Cc1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cccnc3)C2)nc1)C1CC1 ZINC001164786091 721381742 /nfs/dbraw/zinc/38/17/42/721381742.db2.gz SLPDFEHJCSVHFY-RRPUWOKSSA-N 1 0 421.545 2.485 20 0 HEADRO COC(=O)c1c(Cl)ccnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894512 721386892 /nfs/dbraw/zinc/38/68/92/721386892.db2.gz YODVTPMTLDPWKO-IERDGZPVSA-N 1 0 422.957 2.287 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nccc(Cl)n4)C3)O2)CC1 ZINC001164886089 721388608 /nfs/dbraw/zinc/38/86/08/721388608.db2.gz DJRURECWFKIGNL-YJBOKZPZSA-N 1 0 415.916 2.440 20 0 HEADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164889496 721401240 /nfs/dbraw/zinc/40/12/40/721401240.db2.gz REFBBOZHSLCGSY-HRAATJIYSA-N 1 0 418.973 2.387 20 0 HEADRO CCOC(=O)c1cccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891131 721402435 /nfs/dbraw/zinc/40/24/35/721402435.db2.gz VHMCCCYVZQXEJY-GCJKJVERSA-N 1 0 402.539 2.024 20 0 HEADRO COC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164885812 721409733 /nfs/dbraw/zinc/40/97/33/721409733.db2.gz HNEBHZVJBCTOJJ-HRAATJIYSA-N 1 0 422.957 2.287 20 0 HEADRO COc1nc(Cl)nc(C)c1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883595 721411403 /nfs/dbraw/zinc/41/14/03/721411403.db2.gz BFUZZIYGYTVIDV-JXFKEZNVSA-N 1 0 409.962 2.212 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnnc(Cl)c4)C3)O2)CC1 ZINC001164891037 721411954 /nfs/dbraw/zinc/41/19/54/721411954.db2.gz VAVZTXYAZOTBIA-FUHWJXTLSA-N 1 0 415.916 2.440 20 0 HEADRO COC(=O)c1ccc(Cl)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890927 721416250 /nfs/dbraw/zinc/41/62/50/721416250.db2.gz UJFJJVUNZIFDED-HRAATJIYSA-N 1 0 422.957 2.287 20 0 HEADRO COC(OC)c1cc(C)cnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164898765 721426755 /nfs/dbraw/zinc/42/67/55/721426755.db2.gz WWUGFEJUJUJTMI-WMZHIEFXSA-N 1 0 418.582 2.447 20 0 HEADRO COc1nnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c2ccccc21 ZINC001164894850 721433084 /nfs/dbraw/zinc/43/30/84/721433084.db2.gz MPWPQVQHOISXNH-JPYJTQIMSA-N 1 0 411.550 2.404 20 0 HEADRO COc1cccc2ncnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c21 ZINC001164896462 721437450 /nfs/dbraw/zinc/43/74/50/721437450.db2.gz RIPJDRVXPCYVKY-JPYJTQIMSA-N 1 0 411.550 2.404 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccncc5)ncn4)C3)O2)CC1 ZINC001164888701 721437939 /nfs/dbraw/zinc/43/79/39/721437939.db2.gz AMYHEUIOORXULK-OFNKIYASSA-N 1 0 408.550 2.304 20 0 HEADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3ncn(C)c3n1)CC2 ZINC001164784907 721458284 /nfs/dbraw/zinc/45/82/84/721458284.db2.gz KSRLZEKTMJKULM-GOSISDBHSA-N 1 0 414.554 2.097 20 0 HEADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)nc1)C1CC1 ZINC001164791867 721482684 /nfs/dbraw/zinc/48/26/84/721482684.db2.gz KCXIVWGSULWLBA-AABGKKOBSA-N 1 0 400.523 2.071 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)Oc2cccc(Cl)n2)CC3)CC1 ZINC001164794560 721511416 /nfs/dbraw/zinc/51/14/16/721511416.db2.gz RYXLCNDLSQXCLM-UHFFFAOYSA-N 1 0 412.872 2.124 20 0 HEADRO COC(=O)c1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902078 721512899 /nfs/dbraw/zinc/51/28/99/721512899.db2.gz YYYJAFVAPOQEGO-UKRRQHHQSA-N 1 0 406.845 2.398 20 0 HEADRO CCCN(CCC)c1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ncn1 ZINC001164799237 721516307 /nfs/dbraw/zinc/51/63/07/721516307.db2.gz ZQSRCJLERZIBPL-UHFFFAOYSA-N 1 0 412.586 2.067 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)c(Cl)cn2)[C@@H]2CCCO[C@@H]21 ZINC001164805537 721532364 /nfs/dbraw/zinc/53/23/64/721532364.db2.gz MEXPQTVFIOUMAR-LMMKCTJWSA-N 1 0 401.898 2.097 20 0 HEADRO CCOC(=O)Cc1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164800591 721535767 /nfs/dbraw/zinc/53/57/67/721535767.db2.gz CNDQWUNAOQGKBE-URVUXULASA-N 1 0 410.518 2.450 20 0 HEADRO CCOC(=O)Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164906948 721538963 /nfs/dbraw/zinc/53/89/63/721538963.db2.gz MAPYLXZOFLHAMD-HKUYNNGSSA-N 1 0 400.454 2.063 20 0 HEADRO COC(=O)c1nc2cnccc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905219 721541081 /nfs/dbraw/zinc/54/10/81/721541081.db2.gz GUUVAMCUHSJBHO-WBVHZDCISA-N 1 0 423.448 2.292 20 0 HEADRO O=C1CCC(=O)N1Cc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164903064 721544067 /nfs/dbraw/zinc/54/40/67/721544067.db2.gz BYSJUXFENQPXRN-AZUAARDMSA-N 1 0 424.476 2.212 20 0 HEADRO CN1CCOc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164903074 721549118 /nfs/dbraw/zinc/54/91/18/721549118.db2.gz CBVDVDOURHTXQM-GDBMZVCRSA-N 1 0 419.888 2.440 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164809911 721559202 /nfs/dbraw/zinc/55/92/02/721559202.db2.gz YAMJWKVVTAGDLV-TUNNFDKTSA-N 1 0 407.518 2.237 20 0 HEADRO CCNC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164909714 721730605 /nfs/dbraw/zinc/73/06/05/721730605.db2.gz DDNBGGWUSZGINN-HXUWFJFHSA-N 1 0 416.476 2.359 20 0 HEADRO CC1CCN(c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)CC1 ZINC001165010384 721745033 /nfs/dbraw/zinc/74/50/33/721745033.db2.gz MBJNENBRQLETJR-UHFFFAOYSA-N 1 0 400.571 2.236 20 0 HEADRO C[N@H+](Cc1ccc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1)C1CC1 ZINC001164914966 721795918 /nfs/dbraw/zinc/79/59/18/721795918.db2.gz SGWZBYRZMLCAFS-DEOSSOPVSA-N 1 0 423.561 2.179 20 0 HEADRO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N(C)C)cc[nH+]4)CCO3)C2)cs1 ZINC001164923592 721827377 /nfs/dbraw/zinc/82/73/77/721827377.db2.gz KHAGMRMOJYSJHL-HXUWFJFHSA-N 1 0 403.552 2.020 20 0 HEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)ncc2C(N)=O)CC1 ZINC001165021557 721839682 /nfs/dbraw/zinc/83/96/82/721839682.db2.gz OFBPTXRSHCPFCX-UHFFFAOYSA-N 1 0 419.913 2.347 20 0 HEADRO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)nc1Cl ZINC001164928824 721855161 /nfs/dbraw/zinc/85/51/61/721855161.db2.gz OPCVTACIKMJRGG-UONOGXRCSA-N 1 0 402.873 2.281 20 0 HEADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C)OCC ZINC001164921489 721863575 /nfs/dbraw/zinc/86/35/75/721863575.db2.gz CYSQPLATWNPBDL-SJORKVTESA-N 1 0 411.978 2.286 20 0 HEADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164926355 721864657 /nfs/dbraw/zinc/86/46/57/721864657.db2.gz RTHDOYMRNMPSBH-DLBZAZTESA-N 1 0 403.914 2.284 20 0 HEADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164921065 721867247 /nfs/dbraw/zinc/86/72/47/721867247.db2.gz CFGQETCTZSSEHF-NWDGAFQWSA-N 1 0 402.326 2.175 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nccc(-c2cnc(N3CCCCC3)nc2)n1 ZINC001164920842 721869240 /nfs/dbraw/zinc/86/92/40/721869240.db2.gz BAGQIUKKPUEGSU-SFTDATJTSA-N 1 0 422.581 2.139 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc(-c2cnc(N3CCCCC3)nc2)n1 ZINC001164920840 721869523 /nfs/dbraw/zinc/86/95/23/721869523.db2.gz BAGQIUKKPUEGSU-NHCUHLMSSA-N 1 0 422.581 2.139 20 0 HEADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164922345 721873321 /nfs/dbraw/zinc/87/33/21/721873321.db2.gz FUSWQCPGFLBPAL-ZWKOTPCHSA-N 1 0 417.554 2.067 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC001164932643 721880292 /nfs/dbraw/zinc/88/02/92/721880292.db2.gz JZNAUYHBEVRUOC-FGZHOGPDSA-N 1 0 421.593 2.018 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(N2CCN(c3ccccc3)CC2)ncn1 ZINC001164932899 721885022 /nfs/dbraw/zinc/88/50/22/721885022.db2.gz KFBGUFNTENPSEQ-VXKWHMMOSA-N 1 0 421.593 2.018 20 0 HEADRO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(c2nc4scnc4c(N4CCOCC4)n2)C3)co1 ZINC001164928391 721900160 /nfs/dbraw/zinc/90/01/60/721900160.db2.gz IGDOKSZNRIONJF-CVEARBPZSA-N 1 0 412.519 2.227 20 0 HEADRO Cn1ccc(CN2CCOCC23CCN(c2ccc(C[N@H+](C)C4CC4)cn2)CC3)n1 ZINC001164936312 721908906 /nfs/dbraw/zinc/90/89/06/721908906.db2.gz VJQFVKRHEBRSCX-UHFFFAOYSA-N 1 0 410.566 2.281 20 0 HEADRO Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]21 ZINC001164949835 722003429 /nfs/dbraw/zinc/00/34/29/722003429.db2.gz AJSVVIRVQXMRRL-MOPGFXCFSA-N 1 0 415.545 2.405 20 0 HEADRO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3C[N@@H+](C(C)(C)c4ccnc(Cl)c4)CC[C@H]23)cn1 ZINC001164956069 722032346 /nfs/dbraw/zinc/03/23/46/722032346.db2.gz BNEJEGMIZZRKBH-SZMVWBNQSA-N 1 0 417.941 2.471 20 0 HEADRO CCOC(=O)c1sc2ncnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164965287 722067376 /nfs/dbraw/zinc/06/73/76/722067376.db2.gz HLGBTKAPBZDCIL-GASCZTMLSA-N 1 0 402.520 2.476 20 0 HEADRO COc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(SC)n1 ZINC001164981161 722117259 /nfs/dbraw/zinc/11/72/59/722117259.db2.gz TZFRMHGSINKZMG-IRXDYDNUSA-N 1 0 401.536 2.329 20 0 HEADRO COC(=O)c1cc(F)c(C)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971391 722118309 /nfs/dbraw/zinc/11/83/09/722118309.db2.gz BVNMDLISAXCDSQ-PXNSSMCTSA-N 1 0 414.481 2.438 20 0 HEADRO Cn1c(=O)ccc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164982027 722119761 /nfs/dbraw/zinc/11/97/61/722119761.db2.gz VTRQDRCLZQFVIY-PMACEKPBSA-N 1 0 405.502 2.056 20 0 HEADRO CCOC(=O)c1ncnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164981515 722124450 /nfs/dbraw/zinc/12/44/50/722124450.db2.gz UIPHCIZCLLEAKA-MOPGFXCFSA-N 1 0 411.506 2.084 20 0 HEADRO F[C@H](Oc1ccc(Cl)nn1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975312 722157212 /nfs/dbraw/zinc/15/72/12/722157212.db2.gz SCZNALNGQSVXOM-GJYPPUQNSA-N 1 0 407.877 2.380 20 0 HEADRO COC(=O)/C=C\c1cc(C)cnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002920 722255443 /nfs/dbraw/zinc/25/54/43/722255443.db2.gz XLVSXXZVWNWGCR-SREVYHEPSA-N 1 0 413.522 2.261 20 0 HEADRO CN(CC[NH+]1CCCC1)S(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000769648758 1078484350 /nfs/dbraw/zinc/48/43/50/1078484350.db2.gz JDLKPZVMOMKRNH-UHFFFAOYSA-N 1 0 423.579 2.393 20 0 HEADRO CN(C)c1ccc(NC(=O)CC[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 ZINC000769660916 1078499558 /nfs/dbraw/zinc/49/95/58/1078499558.db2.gz RFVRSLFUWYHGKL-FQEVSTJZSA-N 1 0 402.539 2.185 20 0 HEADRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000769706603 1078529600 /nfs/dbraw/zinc/52/96/00/1078529600.db2.gz BETXPLCSOLDRNG-UHFFFAOYSA-N 1 0 411.543 2.462 20 0 HEADRO CN(CCCC(=O)NCC[N@@H+]1CCCC(C)(C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000769707818 1078530239 /nfs/dbraw/zinc/53/02/39/1078530239.db2.gz NEEPJUVMJLRMQK-UHFFFAOYSA-N 1 0 420.579 2.086 20 0 HEADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001109514817 1078538198 /nfs/dbraw/zinc/53/81/98/1078538198.db2.gz BBKVFPSLOPPKHS-TXVWBRJLSA-N 1 0 401.555 2.233 20 0 HEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2nccn3c(Br)cnc23)[C@H](C)C1 ZINC000769740682 1078555341 /nfs/dbraw/zinc/55/53/41/1078555341.db2.gz FRKLOMKOHUOHPQ-ZIAGYGMSSA-N 1 0 424.343 2.359 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cccc(-c3cscn3)c2)C1 ZINC000745606605 1078560062 /nfs/dbraw/zinc/56/00/62/1078560062.db2.gz JRNXTGAAUZWOMN-SFHVURJKSA-N 1 0 417.531 2.440 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(O)(c3ccccc3Cl)CC2)C1 ZINC000769816740 1078560259 /nfs/dbraw/zinc/56/02/59/1078560259.db2.gz UQISINDSYVOJQY-SFHVURJKSA-N 1 0 423.985 2.096 20 0 HEADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000745622532 1078562647 /nfs/dbraw/zinc/56/26/47/1078562647.db2.gz NEKGBPOXFNRHGU-GOSISDBHSA-N 1 0 410.518 2.101 20 0 HEADRO C[C@@H]([NH2+]Cc1nnnn1CC1CCOCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000769796293 1078568656 /nfs/dbraw/zinc/56/86/56/1078568656.db2.gz OVTZMGATLVBLMP-NVXWUHKLSA-N 1 0 408.547 2.225 20 0 HEADRO CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000769799155 1078569520 /nfs/dbraw/zinc/56/95/20/1078569520.db2.gz DBARARFMVGATSE-LEWJYISDSA-N 1 0 416.566 2.244 20 0 HEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000766334956 1078613056 /nfs/dbraw/zinc/61/30/56/1078613056.db2.gz CLRXODWGWHHTKC-ZDUSSCGKSA-N 1 0 402.442 2.072 20 0 HEADRO C[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000769900780 1078624655 /nfs/dbraw/zinc/62/46/55/1078624655.db2.gz IKBGSYOPVMOQMU-LBPRGKRZSA-N 1 0 415.922 2.004 20 0 HEADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000766334453 1078625147 /nfs/dbraw/zinc/62/51/47/1078625147.db2.gz ZSLNNADFIWIJBX-IAGOWNOFSA-N 1 0 403.589 2.472 20 0 HEADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000766334454 1078625215 /nfs/dbraw/zinc/62/52/15/1078625215.db2.gz ZSLNNADFIWIJBX-IRXDYDNUSA-N 1 0 403.589 2.472 20 0 HEADRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000769912867 1078631999 /nfs/dbraw/zinc/63/19/99/1078631999.db2.gz IVSXFCPZJPXHHE-JOCHJYFZSA-N 1 0 405.514 2.304 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)C1CCCC1 ZINC000769918857 1078635381 /nfs/dbraw/zinc/63/53/81/1078635381.db2.gz BZRVSCUGHFHPIB-GFCCVEGCSA-N 1 0 410.437 2.048 20 0 HEADRO COCC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000745780012 1078639752 /nfs/dbraw/zinc/63/97/52/1078639752.db2.gz GWQHIFFPTUOUGQ-WMZOPIPTSA-N 1 0 412.575 2.480 20 0 HEADRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(N2CCOC2=O)cc1 ZINC000745783173 1078642011 /nfs/dbraw/zinc/64/20/11/1078642011.db2.gz ZDGCZCMCIKIQRE-APWZRJJASA-N 1 0 404.511 2.456 20 0 HEADRO CC(C)OCC[NH+]1CCC(NC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769943925 1078647661 /nfs/dbraw/zinc/64/76/61/1078647661.db2.gz XQIJAZYMQYDWDS-UHFFFAOYSA-N 1 0 410.316 2.111 20 0 HEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000745796588 1078651142 /nfs/dbraw/zinc/65/11/42/1078651142.db2.gz CBRNVWYWQLMKBM-ROUUACIJSA-N 1 0 412.575 2.386 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)C1 ZINC000769955151 1078651311 /nfs/dbraw/zinc/65/13/11/1078651311.db2.gz IUSFPPGXFZLBMT-KRWDZBQOSA-N 1 0 403.527 2.489 20 0 HEADRO C[C@H](CNC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000745834021 1078660330 /nfs/dbraw/zinc/66/03/30/1078660330.db2.gz DFLGAYMEHPVWOP-WWDZGPRUSA-N 1 0 411.591 2.005 20 0 HEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745811611 1078656275 /nfs/dbraw/zinc/65/62/75/1078656275.db2.gz YFRSZJIXTIOJAJ-QZTJIDSGSA-N 1 0 412.575 2.386 20 0 HEADRO CC(C)[N@@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)CC1CCC1 ZINC000769927861 1078662105 /nfs/dbraw/zinc/66/21/05/1078662105.db2.gz PGFPHJHWHVOPRZ-JOCHJYFZSA-N 1 0 400.523 2.471 20 0 HEADRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000769931640 1078663325 /nfs/dbraw/zinc/66/33/25/1078663325.db2.gz JRLAXIRFYMIQJQ-YLJYHZDGSA-N 1 0 412.538 2.149 20 0 HEADRO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C(=O)N1c1ccccc1 ZINC000745825873 1078665314 /nfs/dbraw/zinc/66/53/14/1078665314.db2.gz ULLNGGHOWOJODC-AHRSYUTCSA-N 1 0 400.523 2.123 20 0 HEADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c2)C1 ZINC000769938801 1078665389 /nfs/dbraw/zinc/66/53/89/1078665389.db2.gz KBBFAVABHQKZNE-NVXWUHKLSA-N 1 0 407.511 2.261 20 0 HEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)C1 ZINC000745829892 1078666435 /nfs/dbraw/zinc/66/64/35/1078666435.db2.gz IDECDKWUQKGSPA-FUHWJXTLSA-N 1 0 422.957 2.480 20 0 HEADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)CC1 ZINC000769985918 1078674956 /nfs/dbraw/zinc/67/49/56/1078674956.db2.gz CZCPVXDVRWDUEP-WMAFBANVSA-N 1 0 417.550 2.382 20 0 HEADRO C[C@H](CNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)C[NH+]1CCN(C)CC1 ZINC000745862965 1078678777 /nfs/dbraw/zinc/67/87/77/1078678777.db2.gz QRQUNRKUTCLCES-CZUORRHYSA-N 1 0 403.354 2.210 20 0 HEADRO Cc1cc([C@](C)(O)CNC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c(C)o1 ZINC000745877938 1078681808 /nfs/dbraw/zinc/68/18/08/1078681808.db2.gz FRBQKPKZJNHHED-OAQYLSRUSA-N 1 0 406.571 2.353 20 0 HEADRO COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000770007459 1078683407 /nfs/dbraw/zinc/68/34/07/1078683407.db2.gz GRQXNXPPZPRRNZ-NRFANRHFSA-N 1 0 411.502 2.122 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000770058370 1078686521 /nfs/dbraw/zinc/68/65/21/1078686521.db2.gz XRBQUEHCOQACSD-IBGZPJMESA-N 1 0 408.568 2.260 20 0 HEADRO O=C(NCc1cn(-c2ccccc2)nn1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000770030101 1078695940 /nfs/dbraw/zinc/69/59/40/1078695940.db2.gz FWPMFYCOUYGYCV-UHFFFAOYSA-N 1 0 418.501 2.161 20 0 HEADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000745942821 1078698301 /nfs/dbraw/zinc/69/83/01/1078698301.db2.gz SUCXSFULHOBFKC-MJGOQNOKSA-N 1 0 409.552 2.049 20 0 HEADRO COc1ccc(CNC(=O)CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000745943815 1078707996 /nfs/dbraw/zinc/70/79/96/1078707996.db2.gz LFHDKCPKFQHGBI-MRXNPFEDSA-N 1 0 407.511 2.261 20 0 HEADRO CCN(CC1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1)C(=O)OC(C)(C)C ZINC000745944545 1078708522 /nfs/dbraw/zinc/70/85/22/1078708522.db2.gz AXFFEPDMEYBCNY-INIZCTEOSA-N 1 0 424.586 2.081 20 0 HEADRO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745945199 1078709720 /nfs/dbraw/zinc/70/97/20/1078709720.db2.gz SSJGDLOGQNFFQO-IAGOWNOFSA-N 1 0 408.495 2.154 20 0 HEADRO C[N@@H+]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)C2(CCCCC2)C1 ZINC000746013552 1078732970 /nfs/dbraw/zinc/73/29/70/1078732970.db2.gz BPAYVVRJAIFJHN-UHFFFAOYSA-N 1 0 409.527 2.357 20 0 HEADRO CC(C)N1C(=O)c2ccc(C(=O)N3CC[N@H+](C)CC34CCCCC4)cc2S1(=O)=O ZINC000746014058 1078734013 /nfs/dbraw/zinc/73/40/13/1078734013.db2.gz PLVFZTFMENRWGN-UHFFFAOYSA-N 1 0 419.547 2.330 20 0 HEADRO C[NH+](C)CCn1c2cc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)ccc2oc1=O ZINC000746019365 1078736375 /nfs/dbraw/zinc/73/63/75/1078736375.db2.gz ZYLQKUQBVKCWAC-UHFFFAOYSA-N 1 0 418.494 2.352 20 0 HEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C ZINC000746041852 1078747970 /nfs/dbraw/zinc/74/79/70/1078747970.db2.gz KQHBFPZIBAQBPJ-UHFFFAOYSA-N 1 0 422.526 2.115 20 0 HEADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000746042178 1078750170 /nfs/dbraw/zinc/75/01/70/1078750170.db2.gz GPMUOJXINSBPHP-UHFFFAOYSA-N 1 0 406.527 2.149 20 0 HEADRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746049507 1078758304 /nfs/dbraw/zinc/75/83/04/1078758304.db2.gz QARQQWGFDIPBAI-XOBRGWDASA-N 1 0 408.520 2.338 20 0 HEADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000770172619 1078767809 /nfs/dbraw/zinc/76/78/09/1078767809.db2.gz IRGBJKWPYSCFIC-QGZVFWFLSA-N 1 0 419.547 2.009 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCc2cccnc2)C[C@H]1C(=O)N1CCSC1 ZINC001170013590 1078771681 /nfs/dbraw/zinc/77/16/81/1078771681.db2.gz IDWDJFCRZPSAKJ-IRXDYDNUSA-N 1 0 406.552 2.125 20 0 HEADRO CCOC(=O)N1CC[C@@H](Nc2cc(N[C@H]3CCN(C(=O)OCC)C3)nc(C)[nH+]2)C1 ZINC000770221504 1078772665 /nfs/dbraw/zinc/77/26/65/1078772665.db2.gz LGWFNRQKGZCTEW-GASCZTMLSA-N 1 0 406.487 2.070 20 0 HEADRO O=C(OCc1ccccc1)N1CC[C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000770228603 1078775606 /nfs/dbraw/zinc/77/56/06/1078775606.db2.gz NYBVDNCLARZTLE-OAQYLSRUSA-N 1 0 415.534 2.216 20 0 HEADRO CC(C)CNC(=O)C1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000746110581 1078790406 /nfs/dbraw/zinc/79/04/06/1078790406.db2.gz FCGVWZALYZZQEC-UHFFFAOYSA-N 1 0 400.567 2.058 20 0 HEADRO Cc1ccnc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)c1 ZINC001170013472 1078782237 /nfs/dbraw/zinc/78/22/37/1078782237.db2.gz HTQKYBMNQSXHPK-IRXDYDNUSA-N 1 0 406.552 2.391 20 0 HEADRO CCOC(=O)[C@@H]1CSCCN1C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000746116236 1078794674 /nfs/dbraw/zinc/79/46/74/1078794674.db2.gz DFFKOKKVIPWSFF-IBGZPJMESA-N 1 0 405.564 2.014 20 0 HEADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)CC1=O ZINC000746165062 1078813628 /nfs/dbraw/zinc/81/36/28/1078813628.db2.gz KFYXTTIGDXUPSR-WMZOPIPTSA-N 1 0 422.367 2.393 20 0 HEADRO CC(C)(C)OC(=O)N1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000746149049 1078806850 /nfs/dbraw/zinc/80/68/50/1078806850.db2.gz JNIFXAIUWGMQLI-QFIPXVFZSA-N 1 0 403.523 2.093 20 0 HEADRO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000770247961 1078810479 /nfs/dbraw/zinc/81/04/79/1078810479.db2.gz XECBIUFCEZFXAI-LLVKDONJSA-N 1 0 423.304 2.090 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000746168065 1078814529 /nfs/dbraw/zinc/81/45/29/1078814529.db2.gz RRJULPUODLXHOU-HKUYNNGSSA-N 1 0 404.555 2.395 20 0 HEADRO COc1cc2c(c(OC)c1OC)CC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000770252301 1078813110 /nfs/dbraw/zinc/81/31/10/1078813110.db2.gz PDFVCXOZVQZJKY-UHFFFAOYSA-N 1 0 420.531 2.003 20 0 HEADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1=O ZINC000746203384 1078817664 /nfs/dbraw/zinc/81/76/64/1078817664.db2.gz SUWKHGABVHQDFF-MRXNPFEDSA-N 1 0 416.522 2.333 20 0 HEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000770291160 1078817820 /nfs/dbraw/zinc/81/78/20/1078817820.db2.gz DVYCBFNNEMIENC-GFCCVEGCSA-N 1 0 402.973 2.254 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)cc2)CC1 ZINC000770300290 1078823212 /nfs/dbraw/zinc/82/32/12/1078823212.db2.gz TZTLVRMHXYMGBS-UHFFFAOYSA-N 1 0 424.549 2.395 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170013865 1078826808 /nfs/dbraw/zinc/82/68/08/1078826808.db2.gz LPKUSFAHYOJIQO-ZKNHNOBHSA-N 1 0 413.584 2.181 20 0 HEADRO C[NH+](C)CCN1C[C@@H](C(=O)N=c2sccn2Cc2ccccc2Cl)CC1=O ZINC000746214855 1078823579 /nfs/dbraw/zinc/82/35/79/1078823579.db2.gz HNRRNHLNAVLCGX-HNNXBMFYSA-N 1 0 406.939 2.089 20 0 HEADRO O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000746217709 1078824249 /nfs/dbraw/zinc/82/42/49/1078824249.db2.gz AGUSXMSEGGKXQB-YADHBBJMSA-N 1 0 423.513 2.105 20 0 HEADRO COCC[NH+]1CCC(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000770329744 1078830163 /nfs/dbraw/zinc/83/01/63/1078830163.db2.gz ZPSICBCXYSRJFC-GOSISDBHSA-N 1 0 412.575 2.480 20 0 HEADRO O=C(CCn1nnc2ccccc2c1=O)O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000770359514 1078830500 /nfs/dbraw/zinc/83/05/00/1078830500.db2.gz JLIXNDKWFBKXCY-FQEVSTJZSA-N 1 0 418.497 2.488 20 0 HEADRO CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000746247252 1078831056 /nfs/dbraw/zinc/83/10/56/1078831056.db2.gz LUQXQVKVLUQMEJ-GOSISDBHSA-N 1 0 409.486 2.109 20 0 HEADRO Cc1ccc(C)c(N2N=C(C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)CCC2=O)c1 ZINC000770371227 1078832580 /nfs/dbraw/zinc/83/25/80/1078832580.db2.gz UPOMLYLZVWICJX-GOSISDBHSA-N 1 0 400.523 2.139 20 0 HEADRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000770337654 1078836054 /nfs/dbraw/zinc/83/60/54/1078836054.db2.gz TWZITQKTQVFOOM-SIKLNZKXSA-N 1 0 412.534 2.271 20 0 HEADRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)cn1 ZINC001170014395 1078842639 /nfs/dbraw/zinc/84/26/39/1078842639.db2.gz PLYOBKREFWACCW-IRXDYDNUSA-N 1 0 406.552 2.391 20 0 HEADRO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)OCC[NH+]1CCCCC1)CC2 ZINC000770406006 1078843851 /nfs/dbraw/zinc/84/38/51/1078843851.db2.gz PSSLCYGCSKPPLX-UHFFFAOYSA-N 1 0 404.507 2.398 20 0 HEADRO O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCOc2ccccc2C1 ZINC000746501459 1078847750 /nfs/dbraw/zinc/84/77/50/1078847750.db2.gz FNTQSPFYAKJEDM-DEOSSOPVSA-N 1 0 420.513 2.425 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000746304098 1078848173 /nfs/dbraw/zinc/84/81/73/1078848173.db2.gz HRVRXJCGXFRZCG-RUZDIDTESA-N 1 0 422.573 2.475 20 0 HEADRO COCCOc1cc2c(cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1)OCO2 ZINC000770385252 1078848961 /nfs/dbraw/zinc/84/89/61/1078848961.db2.gz JPXNOTJWZOLCSN-ROUUACIJSA-N 1 0 403.479 2.262 20 0 HEADRO Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 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400.523 2.483 20 0 HEADRO C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168866269 1079057692 /nfs/dbraw/zinc/05/76/92/1079057692.db2.gz NWYLOSKJDDLZQC-BVBHFADKSA-N 1 0 400.523 2.483 20 0 HEADRO COC[C@@H](C[NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)NC(=O)OC(C)(C)C ZINC001168893626 1079063508 /nfs/dbraw/zinc/06/35/08/1079063508.db2.gz APTWRJMXDQFIKA-ZWKOTPCHSA-N 1 0 421.538 2.316 20 0 HEADRO COc1ccc(CN2CC[C@H](n3cc(C[C@H]([NH3+])C(N)=O)c4ccccc43)CC2=O)cc1 ZINC001168893689 1079063529 /nfs/dbraw/zinc/06/35/29/1079063529.db2.gz BBDLXXFKCDCHKW-RXVVDRJESA-N 1 0 420.513 2.369 20 0 HEADRO COc1ccc(NC(=O)c2cccnc2-n2nnc(-c3cccc(C[NH3+])c3)n2)cc1 ZINC001168877051 1079065868 /nfs/dbraw/zinc/06/58/68/1079065868.db2.gz WBRKXTYUMISWDB-UHFFFAOYSA-N 1 0 401.430 2.444 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@H+]3C[C@H]4CN(c5ncccn5)C[C@H]4C3)CC2=O)cc1 ZINC001168936657 1079079343 /nfs/dbraw/zinc/07/93/43/1079079343.db2.gz SOBGGIIIZUVSGO-HSALFYBXSA-N 1 0 407.518 2.044 20 0 HEADRO CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)n([C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1 ZINC001168885865 1079068372 /nfs/dbraw/zinc/06/83/72/1079068372.db2.gz WVQUDWPGQIDYPI-RBSFLKMASA-N 1 0 407.515 2.492 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]CC3CCN(c4cnccn4)CC3)CC2=O)cc1 ZINC001168916378 1079075152 /nfs/dbraw/zinc/07/51/52/1079075152.db2.gz RWBRRPRJPSKGHM-HXUWFJFHSA-N 1 0 409.534 2.482 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](CN3C(=O)CCC3=O)C(C)(C)C)CC2=O)cc1 ZINC001168919736 1079075553 /nfs/dbraw/zinc/07/55/53/1079075553.db2.gz IRUCMAHHCWYWDX-HKUYNNGSSA-N 1 0 415.534 2.340 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(C(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000770873039 1079076758 /nfs/dbraw/zinc/07/67/58/1079076758.db2.gz WDGHPBAYYWJLRX-SFHVURJKSA-N 1 0 417.531 2.401 20 0 HEADRO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000770956625 1079077708 /nfs/dbraw/zinc/07/77/08/1079077708.db2.gz VZBXLHZRVQHGPD-KRWDZBQOSA-N 1 0 424.574 2.441 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(CCc4ccccn4)CC3)CC2=O)cc1 ZINC001168939141 1079080455 /nfs/dbraw/zinc/08/04/55/1079080455.db2.gz FZPJLWFKKGHLSC-JOCHJYFZSA-N 1 0 408.546 2.442 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CC[C@H](Oc4ncc(F)cn4)C3)CC2=O)cc1 ZINC001168959406 1079091707 /nfs/dbraw/zinc/09/17/07/1079091707.db2.gz VREKDGVSGHJQFZ-MJGOQNOKSA-N 1 0 400.454 2.269 20 0 HEADRO C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(-n4cc(CC[NH3+])cn4)c23)C1 ZINC001168945845 1079083231 /nfs/dbraw/zinc/08/32/31/1079083231.db2.gz DOIDMQFYALUHLW-CQSZACIVSA-N 1 0 412.563 2.335 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C(=O)c4ccncc4)CC3)CC2=O)cc1 ZINC001168949074 1079084470 /nfs/dbraw/zinc/08/44/70/1079084470.db2.gz USFFCMPQRWYPSG-HXUWFJFHSA-N 1 0 408.502 2.039 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(C(=O)c4ccncc4)CC3)CC2=O)cc1 ZINC001168949073 1079084489 /nfs/dbraw/zinc/08/44/89/1079084489.db2.gz USFFCMPQRWYPSG-FQEVSTJZSA-N 1 0 408.502 2.039 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCC(N4CCCOC4=O)CC3)CC2=O)cc1 ZINC001168952780 1079085687 /nfs/dbraw/zinc/08/56/87/1079085687.db2.gz GWEFOAPMALMDFG-LJQANCHMSA-N 1 0 401.507 2.493 20 0 HEADRO COc1ccc(CN2CC[C@H](n3ccc4c3ncnc4N3CC[NH2+]CC3)CC2=O)cc1 ZINC001168952730 1079085726 /nfs/dbraw/zinc/08/57/26/1079085726.db2.gz FVGBKDOKYUZYES-SFHVURJKSA-N 1 0 420.517 2.213 20 0 HEADRO CCC1=NC2(CC[NH+]([C@H]3CCN(Cc4ccc(OC)cc4)C(=O)C3)CC2)C(=O)N1C ZINC001168952390 1079085782 /nfs/dbraw/zinc/08/57/82/1079085782.db2.gz CWBOAXFNZPFBDQ-SFHVURJKSA-N 1 0 412.534 2.301 20 0 HEADRO Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3C[C@]4(C)C[N@@H+](C)C[C@]4(C)C3)c2)cc1 ZINC001168929263 1079088121 /nfs/dbraw/zinc/08/81/21/1079088121.db2.gz HGDVVZFIUFSOEF-OYRHEFFESA-N 1 0 401.532 2.447 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@H](Oc4nccc(OC)n4)C3)CC2=O)cc1 ZINC001168956813 1079091089 /nfs/dbraw/zinc/09/10/89/1079091089.db2.gz FQCUWIHJDZUJHO-HKUYNNGSSA-N 1 0 412.490 2.138 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC000766558331 1079091148 /nfs/dbraw/zinc/09/11/48/1079091148.db2.gz DVZKTGPHFIKDSV-QRVBRYPASA-N 1 0 418.538 2.430 20 0 HEADRO COC[C@H]1CCCC[N@H+](C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1 ZINC001169006118 1079098165 /nfs/dbraw/zinc/09/81/65/1079098165.db2.gz YYJOVCLKCLHXQR-HKUYNNGSSA-N 1 0 417.506 2.147 20 0 HEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000766564837 1079101393 /nfs/dbraw/zinc/10/13/93/1079101393.db2.gz SUNQPFROCZIVDN-NSHDSACASA-N 1 0 414.471 2.055 20 0 HEADRO C[NH+](C)CC1(O)CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC001169030528 1079103025 /nfs/dbraw/zinc/10/30/25/1079103025.db2.gz AHCGWMVTMNAVCV-UHFFFAOYSA-N 1 0 414.472 2.232 20 0 HEADRO [NH3+][C@@H](CO)Cc1cncn1-c1cnc(N2CCCCC2)nc1OCc1ccccc1 ZINC001169075355 1079125926 /nfs/dbraw/zinc/12/59/26/1079125926.db2.gz YBXCASTUIPQOEC-GOSISDBHSA-N 1 0 408.506 2.094 20 0 HEADRO 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 1079127465 /nfs/dbraw/zinc/12/74/65/1079127465.db2.gz NJKSTHPLMXMHPL-VBUUOAMHSA-N 1 0 417.554 2.099 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC[C@H]21 ZINC000766581902 1079132275 /nfs/dbraw/zinc/13/22/75/1079132275.db2.gz GRMGAEUCPZXSGT-RDTXWAMCSA-N 1 0 406.477 2.446 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCCO2)C[C@H]1C(=O)N1CCSC1 ZINC001170021275 1079139809 /nfs/dbraw/zinc/13/98/09/1079139809.db2.gz YWERNOBCMVDZOS-BBWFWOEESA-N 1 0 413.584 2.446 20 0 HEADRO C[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)[NH+]1CCCCC1 ZINC000771121309 1079142087 /nfs/dbraw/zinc/14/20/87/1079142087.db2.gz IPCVVXBQQCRYJO-RNODOKPDSA-N 1 0 424.904 2.237 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2F)CC1 ZINC000766596597 1079144118 /nfs/dbraw/zinc/14/41/18/1079144118.db2.gz SOEKOEFHQOTKJY-UHFFFAOYSA-N 1 0 418.513 2.471 20 0 HEADRO CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C[C@H]1OC ZINC000766600229 1079147298 /nfs/dbraw/zinc/14/72/98/1079147298.db2.gz GKJOLGJNMHDCRH-WOJBJXKFSA-N 1 0 416.566 2.477 20 0 HEADRO CCC[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771094181 1079148692 /nfs/dbraw/zinc/14/86/92/1079148692.db2.gz FHBNONXRBIXRHN-HXUWFJFHSA-N 1 0 424.904 2.237 20 0 HEADRO CC(C)C[NH+]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771094512 1079148783 /nfs/dbraw/zinc/14/87/83/1079148783.db2.gz KWSNJKBCVVNHND-HXUWFJFHSA-N 1 0 424.904 2.046 20 0 HEADRO 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 1079151261 /nfs/dbraw/zinc/15/12/61/1079151261.db2.gz YZFBUDIBDYCKMR-SUWCGCSTSA-N 1 0 406.571 2.203 20 0 HEADRO Cc1ccc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1N1CCOC1=O ZINC000766591468 1079158345 /nfs/dbraw/zinc/15/83/45/1079158345.db2.gz GDKHRRJAZGHWBW-UHFFFAOYSA-N 1 0 416.522 2.471 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 ZINC000766593794 1079160823 /nfs/dbraw/zinc/16/08/23/1079160823.db2.gz NUKROBXHBVLTSB-UHFFFAOYSA-N 1 0 416.522 2.158 20 0 HEADRO CC(C)OC(=O)NCc1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000771155965 1079168656 /nfs/dbraw/zinc/16/86/56/1079168656.db2.gz AMICVUWELDLFDM-KRWDZBQOSA-N 1 0 405.543 2.469 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc(F)c(F)c1F ZINC001169161462 1079170453 /nfs/dbraw/zinc/17/04/53/1079170453.db2.gz DAWZKFPNKOPNFP-LBPRGKRZSA-N 1 0 423.439 2.200 20 0 HEADRO CC(C)[N@@H+]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771157382 1079172439 /nfs/dbraw/zinc/17/24/39/1079172439.db2.gz MVMKUQNSSCSLCN-FQEVSTJZSA-N 1 0 424.904 2.189 20 0 HEADRO COc1ccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1N1CCOC1=O ZINC000771157541 1079172454 /nfs/dbraw/zinc/17/24/54/1079172454.db2.gz IPOBHJYBKHJLQT-UHFFFAOYSA-N 1 0 419.526 2.189 20 0 HEADRO C[N@H+](CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C1CCCC1 ZINC000771158998 1079174732 /nfs/dbraw/zinc/17/47/32/1079174732.db2.gz CTHGCBFHEKVAJK-HXUWFJFHSA-N 1 0 424.904 2.237 20 0 HEADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)c1cncnc1 ZINC001170022258 1079177788 /nfs/dbraw/zinc/17/77/88/1079177788.db2.gz PDBVFFNQQBXGFY-BMFZPTHFSA-N 1 0 407.540 2.038 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001169194002 1079180991 /nfs/dbraw/zinc/18/09/91/1079180991.db2.gz UWQGVZSCKXGKRD-WMZOPIPTSA-N 1 0 409.534 2.312 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCCc2cnccc21 ZINC001169194242 1079181381 /nfs/dbraw/zinc/18/13/81/1079181381.db2.gz XHWQOTHJAUIWKJ-MAUKXSAKSA-N 1 0 410.522 2.055 20 0 HEADRO COc1ccccc1C[N@H+](C)[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169201131 1079183445 /nfs/dbraw/zinc/18/34/45/1079183445.db2.gz GLMDLTDBFCVRCJ-MRXNPFEDSA-N 1 0 413.522 2.133 20 0 HEADRO COc1ccc(C[N@H+](C)[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC001169201794 1079183635 /nfs/dbraw/zinc/18/36/35/1079183635.db2.gz IINZIUZDEQEBPS-INIZCTEOSA-N 1 0 413.522 2.133 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001169201895 1079183669 /nfs/dbraw/zinc/18/36/69/1079183669.db2.gz MTDYRZXZFTURFA-UONOGXRCSA-N 1 0 415.460 2.267 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001169170646 1079186210 /nfs/dbraw/zinc/18/62/10/1079186210.db2.gz ZIJMDAJIDQFHBX-CVEARBPZSA-N 1 0 415.513 2.352 20 0 HEADRO Cc1cccnc1[C@@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC001169172666 1079187337 /nfs/dbraw/zinc/18/73/37/1079187337.db2.gz SSEXCUPZBUMMFO-APWZRJJASA-N 1 0 424.549 2.437 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H](C)c1ccc(O)cc1 ZINC001169172926 1079188046 /nfs/dbraw/zinc/18/80/46/1079188046.db2.gz AKFHUMMYHLMKRY-JKSUJKDBSA-N 1 0 413.522 2.091 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001169176788 1079190099 /nfs/dbraw/zinc/19/00/99/1079190099.db2.gz PQLDWJSALKEBNL-OLMNPRSZSA-N 1 0 413.497 2.277 20 0 HEADRO Cc1cc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)ccc1N1C(=O)CCC1=O ZINC000771140438 1079189192 /nfs/dbraw/zinc/18/91/92/1079189192.db2.gz IFOTUWNLIDYODI-UHFFFAOYSA-N 1 0 415.538 2.186 20 0 HEADRO Cc1c(F)ccc(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1F ZINC001169180313 1079193154 /nfs/dbraw/zinc/19/31/54/1079193154.db2.gz DSYNDZQYIUFQER-CYBMUJFWSA-N 1 0 419.476 2.369 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)c3cc(C)n(-c4cnn(C)c4)c3C)CC[NH2+]2)c1 ZINC001169261692 1079205367 /nfs/dbraw/zinc/20/53/67/1079205367.db2.gz VVYGAAXCWVHLSA-LJQANCHMSA-N 1 0 407.518 2.493 20 0 HEADRO Ic1ccn2ccnc2c1NCc1ncn2c1C[NH2+]CCC2 ZINC001169241773 1079209081 /nfs/dbraw/zinc/20/90/81/1079209081.db2.gz WMWSBGQGURVDRJ-UHFFFAOYSA-N 1 0 408.247 2.241 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)CC[NH2+]2)c1 ZINC001169251872 1079212293 /nfs/dbraw/zinc/21/22/93/1079212293.db2.gz QRTBCGYCZXXSDS-UYAOXDASSA-N 1 0 401.551 2.465 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2COC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CO1 ZINC001169313349 1079225301 /nfs/dbraw/zinc/22/53/01/1079225301.db2.gz MSWNYZKRGJZVKN-ZACQAIPSSA-N 1 0 412.527 2.245 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@](O)(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)C1 ZINC001169315039 1079225734 /nfs/dbraw/zinc/22/57/34/1079225734.db2.gz CNWHMRGHJGCVQG-QHCPKHFHSA-N 1 0 415.534 2.094 20 0 HEADRO O=C1CCC2(CCC(CNc3ccc(S(=O)(=O)C4CC[NH2+]CC4)cc3)CC2)N1 ZINC001169296583 1079227314 /nfs/dbraw/zinc/22/73/14/1079227314.db2.gz ZUIWHMRBENQSMZ-UHFFFAOYSA-N 1 0 405.564 2.463 20 0 HEADRO COC(=O)[C@@H]1C[C@@H](C(=O)OC)C[NH+](C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169304651 1079230624 /nfs/dbraw/zinc/23/06/24/1079230624.db2.gz GZPSTZZCHUNEOF-YYZRRKBYSA-N 1 0 403.475 2.439 20 0 HEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000771214467 1079230721 /nfs/dbraw/zinc/23/07/21/1079230721.db2.gz JRWHCRHWOUCPOL-UHFFFAOYSA-N 1 0 414.478 2.096 20 0 HEADRO C[C@H]1CN(CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CC(C)(C)O1 ZINC000746505571 1079233713 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O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2CCc3nnc(CN4CCCCC4)n3CC2)C1 ZINC001169771348 1079405565 /nfs/dbraw/zinc/40/55/65/1079405565.db2.gz HRIQLHMSJKNPHW-OAQYLSRUSA-N 1 0 422.577 2.427 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@H]([N@@H+]2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)C1 ZINC001169768688 1079402373 /nfs/dbraw/zinc/40/23/73/1079402373.db2.gz AIFBMBSQYMSXDV-MYDTUXCISA-N 1 0 414.546 2.434 20 0 HEADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)N2CCC3(CC2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000766815371 1079404644 /nfs/dbraw/zinc/40/46/44/1079404644.db2.gz HHIUIWPRKPCRFW-ICSRJNTNSA-N 1 0 423.579 2.055 20 0 HEADRO CCOC(=O)c1nc([C@H]2CCC[NH2+]C2)n([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC001169792607 1079422129 /nfs/dbraw/zinc/42/21/29/1079422129.db2.gz ZKWVUJSVTYEOBD-ROUUACIJSA-N 1 0 411.506 2.399 20 0 HEADRO CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)n([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC001169792605 1079422314 /nfs/dbraw/zinc/42/23/14/1079422314.db2.gz ZKWVUJSVTYEOBD-MSOLQXFVSA-N 1 0 411.506 2.399 20 0 HEADRO Cc1cccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1NC(=O)c1ccncc1 ZINC000771656698 1079427586 /nfs/dbraw/zinc/42/75/86/1079427586.db2.gz GGBPHMNIYQHCFH-GOSISDBHSA-N 1 0 409.534 2.398 20 0 HEADRO CCCc1cc(C[NH3+])nn1[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170030174 1079429284 /nfs/dbraw/zinc/42/92/84/1079429284.db2.gz MNEFCARXTDDMLY-IRXDYDNUSA-N 1 0 423.583 2.378 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000771659139 1079429300 /nfs/dbraw/zinc/42/93/00/1079429300.db2.gz ZPUPSJWXWMJQGH-HKUYNNGSSA-N 1 0 404.555 2.395 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 ZINC000771663804 1079433522 /nfs/dbraw/zinc/43/35/22/1079433522.db2.gz SOIKNAIZLWQGFL-GOSISDBHSA-N 1 0 405.564 2.240 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]([NH2+]C3CCC(S(C)(=O)=O)CC3)CO2)C1 ZINC001169852592 1079447729 /nfs/dbraw/zinc/44/77/29/1079447729.db2.gz XVMOKAPTKQDWKQ-WIUGKXBGSA-N 1 0 402.557 2.100 20 0 HEADRO C[NH+](C)CC1CCN(S(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000766846773 1079445699 /nfs/dbraw/zinc/44/56/99/1079445699.db2.gz MUYJZDWLBKNYNB-UHFFFAOYSA-N 1 0 423.579 2.391 20 0 HEADRO CS(=O)(=O)C1CCC(N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)CC1 ZINC001169879812 1079453243 /nfs/dbraw/zinc/45/32/43/1079453243.db2.gz GDCWPWRBXHAOIX-UHFFFAOYSA-N 1 0 419.595 2.047 20 0 HEADRO CC[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H](O)c1c(F)cccc1F ZINC000771709310 1079457974 /nfs/dbraw/zinc/45/79/74/1079457974.db2.gz QTDLJEUOIIGYAQ-PXNSSMCTSA-N 1 0 404.461 2.354 20 0 HEADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)CCNC(=O)OCc2ccccc2)c1 ZINC000771728691 1079466667 /nfs/dbraw/zinc/46/66/67/1079466667.db2.gz DKXJEJSGNHVVPV-UHFFFAOYSA-N 1 0 405.520 2.094 20 0 HEADRO C[NH+](C)C1(CNS(=O)(=O)CCNC(=O)OCc2ccccc2)CCCCCC1 ZINC000771729541 1079467791 /nfs/dbraw/zinc/46/77/91/1079467791.db2.gz IJRYYCVJIKNQDK-UHFFFAOYSA-N 1 0 411.568 2.487 20 0 HEADRO CS(=O)(=O)C1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC[NH2+]CC2)CC1 ZINC001169896898 1079468329 /nfs/dbraw/zinc/46/83/29/1079468329.db2.gz LRKJVNWXCYHFTO-UHFFFAOYSA-N 1 0 406.474 2.410 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCCc3ccc(O)cc3)cc2)CC1 ZINC000737312197 1075905533 /nfs/dbraw/zinc/90/55/33/1075905533.db2.gz ICWBKJSCDKIMRZ-UHFFFAOYSA-N 1 0 410.518 2.222 20 0 HEADRO C[C@@H]1N(c2cccnc2)C(=O)COC12CC[NH+]([C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001169945007 1079487632 /nfs/dbraw/zinc/48/76/32/1079487632.db2.gz HIGHTKBLYAYUBQ-ZWKOTPCHSA-N 1 0 401.507 2.354 20 0 HEADRO O=C(c1cccnc1S(=O)(=O)C(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737690430 1075919277 /nfs/dbraw/zinc/91/92/77/1075919277.db2.gz CFAFKMUFPHLMJZ-CYBMUJFWSA-N 1 0 405.442 2.466 20 0 HEADRO Cc1cccc(CN2CCO[C@H]3C[N@@H+]([C@@H]4CCCC5(C4)OCCO5)CC[C@H]3C2=O)n1 ZINC001169946111 1079489066 /nfs/dbraw/zinc/48/90/66/1079489066.db2.gz VHGFTGTVSNYINA-NJYVYQBISA-N 1 0 415.534 2.125 20 0 HEADRO C[NH+]1CCN(CCNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000737779594 1075928301 /nfs/dbraw/zinc/92/83/01/1075928301.db2.gz JHDCSWFHJIUGDH-OAQYLSRUSA-N 1 0 410.518 2.018 20 0 HEADRO CC[NH+]1CCN(CCNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000737851484 1075931922 /nfs/dbraw/zinc/93/19/22/1075931922.db2.gz VTAHAUKAGSMCMH-QFIPXVFZSA-N 1 0 424.545 2.408 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1CSc1nc[nH]n1 ZINC000737851077 1075932044 /nfs/dbraw/zinc/93/20/44/1075932044.db2.gz PQJWPIKHJULUDN-KRWDZBQOSA-N 1 0 401.536 2.470 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)CCc3nc(-c4nc[nH]n4)no3)cc2)CC1 ZINC000737954281 1075947525 /nfs/dbraw/zinc/94/75/25/1075947525.db2.gz APHQDFMLXDAMPZ-UHFFFAOYSA-N 1 0 424.509 2.204 20 0 HEADRO CC[C@]1(C(C)C)NC(=O)N(CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000738042688 1075956067 /nfs/dbraw/zinc/95/60/67/1075956067.db2.gz WIHNCPOOBSFDDX-HSZRJFAPSA-N 1 0 415.582 2.050 20 0 HEADRO CC(C)Cn1c(CCC(N)=O)nn(CN2CCC(C[NH+]3CCCC3)CC2)c1=S ZINC000738072332 1075958104 /nfs/dbraw/zinc/95/81/04/1075958104.db2.gz ZXRZZZXMMKZXHT-UHFFFAOYSA-N 1 0 408.616 2.253 20 0 HEADRO C[NH+](C)CC1CCN(Cn2nc(N3CCOCC3)n(-c3ccccc3)c2=S)CC1 ZINC000738077317 1075958664 /nfs/dbraw/zinc/95/86/64/1075958664.db2.gz SEMFQTRCOQGWBN-UHFFFAOYSA-N 1 0 416.595 2.471 20 0 HEADRO NC(=O)CCn1c(-c2ccco2)nn(CN2CCC[C@H]2C[NH+]2CCCC2)c1=S ZINC000738103455 1075959519 /nfs/dbraw/zinc/95/95/19/1075959519.db2.gz DSJHSBMOWWYETN-HNNXBMFYSA-N 1 0 404.540 2.067 20 0 HEADRO COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCC[C@@H]3C[NH+]3CCCC3)C2=O)cc1 ZINC000738106811 1075963785 /nfs/dbraw/zinc/96/37/85/1075963785.db2.gz ZDEXDEGLMZJRSJ-XMSQKQJNSA-N 1 0 400.523 2.066 20 0 HEADRO Cc1ncsc1CN(C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000738161847 1075971468 /nfs/dbraw/zinc/97/14/68/1075971468.db2.gz VNRMFHOPNRAUCU-OAQYLSRUSA-N 1 0 413.547 2.427 20 0 HEADRO COc1ccccc1-n1cnn(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1=S ZINC000738169273 1075972288 /nfs/dbraw/zinc/97/22/88/1075972288.db2.gz HKUKYTKKFRLCGD-SFHVURJKSA-N 1 0 416.595 2.471 20 0 HEADRO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN1CCN(C[C@H]3CCCC[N@@H+]3C)CC1)C2=O ZINC000738169276 1075972575 /nfs/dbraw/zinc/97/25/75/1075972575.db2.gz HNHOQHKFZHIXJT-DNVFCKCGSA-N 1 0 419.614 2.183 20 0 HEADRO CCCn1c2nn(CN3CC[C@H](C[NH+](C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000738222693 1075975615 /nfs/dbraw/zinc/97/56/15/1075975615.db2.gz HDKYWBXFZDFXGV-OAHLLOKOSA-N 1 0 400.552 2.431 20 0 HEADRO C[NH+](C)C[C@H]1CCN(CN2C(=O)N[C@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000738223468 1075975740 /nfs/dbraw/zinc/97/57/40/1075975740.db2.gz JSWBLYVKRSLDFP-FZKQIMNGSA-N 1 0 414.428 2.193 20 0 HEADRO COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCC[N@@H+](C4CCCC4)CC3)C2=O)cc1 ZINC000738267564 1075977386 /nfs/dbraw/zinc/97/73/86/1075977386.db2.gz CDZMTYMPFAPGOE-HSZRJFAPSA-N 1 0 414.550 2.456 20 0 HEADRO CCOc1ccccc1N1C(=O)C(=O)N(CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000738273153 1075978511 /nfs/dbraw/zinc/97/85/11/1075978511.db2.gz XEGDYHBAUIXVAL-QGZVFWFLSA-N 1 0 414.506 2.288 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(CN2C[C@@H](c3ccccn3)CC2=O)CC1 ZINC000738286161 1075979780 /nfs/dbraw/zinc/97/97/80/1075979780.db2.gz XXZPMPMTPIWVRT-FQEVSTJZSA-N 1 0 423.561 2.118 20 0 HEADRO CCOC(=O)C1=C(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)NC(=O)N[C@@H]1C ZINC000738334026 1075983612 /nfs/dbraw/zinc/98/36/12/1075983612.db2.gz BIQOCRQOIIUTKM-YQVWRLOYSA-N 1 0 414.550 2.490 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000738412876 1075995515 /nfs/dbraw/zinc/99/55/15/1075995515.db2.gz KGCBTJPZTVNTFP-UHFFFAOYSA-N 1 0 424.954 2.186 20 0 HEADRO O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738549861 1076000911 /nfs/dbraw/zinc/00/09/11/1076000911.db2.gz VIIDQNLMACWLAJ-HBMCJLEFSA-N 1 0 415.534 2.235 20 0 HEADRO CC1CCC2(CC1)OC[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C3CCN(C)CC3)C1)O2 ZINC000771779736 1079501945 /nfs/dbraw/zinc/50/19/45/1079501945.db2.gz XAFROYJEIRMOTJ-GWFKXHKXSA-N 1 0 408.587 2.118 20 0 HEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)C1 ZINC000739006016 1076030407 /nfs/dbraw/zinc/03/04/07/1076030407.db2.gz OTCFVKMLSKVWCP-QZTJIDSGSA-N 1 0 412.575 2.480 20 0 HEADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)c(OCC[NH+](C)C)c1 ZINC000739083587 1076031203 /nfs/dbraw/zinc/03/12/03/1076031203.db2.gz DETXWAJNZPDUMF-QRWLVFNGSA-N 1 0 417.481 2.251 20 0 HEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000739034170 1076032073 /nfs/dbraw/zinc/03/20/73/1076032073.db2.gz FQQCMWWXMIERIM-GDBMZVCRSA-N 1 0 409.836 2.110 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCCCO3)cc2)CC1 ZINC000739083250 1076032523 /nfs/dbraw/zinc/03/25/23/1076032523.db2.gz WLSMACZRQRWWTI-FQEVSTJZSA-N 1 0 402.539 2.088 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000739064416 1076033964 /nfs/dbraw/zinc/03/39/64/1076033964.db2.gz BOCXEVRWFCPIKJ-QGZVFWFLSA-N 1 0 402.539 2.231 20 0 HEADRO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000739065974 1076035118 /nfs/dbraw/zinc/03/51/18/1076035118.db2.gz GKJXEQKKWZPYFO-MSOLQXFVSA-N 1 0 402.539 2.231 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000739065983 1076035151 /nfs/dbraw/zinc/03/51/51/1076035151.db2.gz GKJXEQKKWZPYFO-ROUUACIJSA-N 1 0 402.539 2.231 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000739067751 1076035298 /nfs/dbraw/zinc/03/52/98/1076035298.db2.gz MEECHDBXCDGGRW-QAPCUYQASA-N 1 0 416.547 2.331 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000739066959 1076036323 /nfs/dbraw/zinc/03/63/23/1076036323.db2.gz JZAFCQUTRVKGTH-FGTMMUONSA-N 1 0 402.539 2.087 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000739071668 1076037718 /nfs/dbraw/zinc/03/77/18/1076037718.db2.gz VYTCPVULMZFXQV-GOSISDBHSA-N 1 0 402.539 2.233 20 0 HEADRO CO[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000739079715 1076038921 /nfs/dbraw/zinc/03/89/21/1076038921.db2.gz ILRWKUWVQJDQEB-FQEVSTJZSA-N 1 0 402.539 2.041 20 0 HEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)C1 ZINC000739080760 1076039180 /nfs/dbraw/zinc/03/91/80/1076039180.db2.gz MBZCQSPSVILYHZ-ROUUACIJSA-N 1 0 416.566 2.477 20 0 HEADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)([NH+](C)C)C1 ZINC000739079233 1076039259 /nfs/dbraw/zinc/03/92/59/1076039259.db2.gz FMAHOXUPOHDMQJ-IEGUWTFLSA-N 1 0 416.566 2.477 20 0 HEADRO Cc1noc(C)c1CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739081910 1076039397 /nfs/dbraw/zinc/03/93/97/1076039397.db2.gz RKZSPNJHKLCOAO-UHFFFAOYSA-N 1 0 413.522 2.324 20 0 HEADRO CCC(CC)[C@H](O)CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739085389 1076042045 /nfs/dbraw/zinc/04/20/45/1076042045.db2.gz IOEBELVHSPGKAI-OAQYLSRUSA-N 1 0 418.582 2.316 20 0 HEADRO CC[C@H](COC)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000739119592 1076046059 /nfs/dbraw/zinc/04/60/59/1076046059.db2.gz DNMJQXDGBRYVRZ-QGZVFWFLSA-N 1 0 418.538 2.371 20 0 HEADRO COCCOc1ccc(-n2nc(C)c(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000739786902 1076075223 /nfs/dbraw/zinc/07/52/23/1076075223.db2.gz YWDGTHDRPJTSDR-SFHVURJKSA-N 1 0 413.522 2.159 20 0 HEADRO CCOC(=O)C1C(C[N@@H+]2CC[C@@H](COC)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000739923679 1076093012 /nfs/dbraw/zinc/09/30/12/1076093012.db2.gz WAQVDMYDDDCAIQ-ACJLOTCBSA-N 1 0 407.898 2.479 20 0 HEADRO CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@@H](C[NH+]4CCCC4)C3)CC2)c(F)c1 ZINC000739926570 1076093823 /nfs/dbraw/zinc/09/38/23/1076093823.db2.gz HQMXECVLWADLBX-IBGZPJMESA-N 1 0 416.541 2.095 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000766245677 1076105529 /nfs/dbraw/zinc/10/55/29/1076105529.db2.gz BZEZTYBLFQWOOK-QGZVFWFLSA-N 1 0 402.520 2.183 20 0 HEADRO COc1ccc([C@H](CNC(=O)COC(=O)C[C@@H]2CCOC2)[NH+]2CCCCC2)cc1 ZINC000740390236 1076160428 /nfs/dbraw/zinc/16/04/28/1076160428.db2.gz ZPEZIERMXJNQMT-PXNSSMCTSA-N 1 0 404.507 2.308 20 0 HEADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000740480623 1076169410 /nfs/dbraw/zinc/16/94/10/1076169410.db2.gz BHIXVBDTEMJBFP-OALUTQOASA-N 1 0 420.941 2.388 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C[NH+]1CCCCC1 ZINC000740491612 1076172190 /nfs/dbraw/zinc/17/21/90/1076172190.db2.gz MXXZHTVJUGSTHK-GBESFXJTSA-N 1 0 416.566 2.477 20 0 HEADRO COc1ccc(NC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1S(=O)(=O)NC1CC1 ZINC000740459615 1076181539 /nfs/dbraw/zinc/18/15/39/1076181539.db2.gz MIWKAJSKWKNWBS-AWEZNQCLSA-N 1 0 410.540 2.132 20 0 HEADRO O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000740513106 1076199360 /nfs/dbraw/zinc/19/93/60/1076199360.db2.gz PHCQTXHEAKOKCC-HNNXBMFYSA-N 1 0 406.477 2.448 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)C[C@H](C)O1 ZINC000740513778 1076199959 /nfs/dbraw/zinc/19/99/59/1076199959.db2.gz VCRNHVASAPVDLQ-CEXWTWQISA-N 1 0 414.550 2.183 20 0 HEADRO C[C@@](O)(CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccs1 ZINC000740519817 1076202448 /nfs/dbraw/zinc/20/24/48/1076202448.db2.gz ULIGYQADPNQHIZ-OAQYLSRUSA-N 1 0 401.532 2.349 20 0 HEADRO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CC[NH+](CC(C)(C)O)CC1)C2=O ZINC000740758841 1076228923 /nfs/dbraw/zinc/22/89/23/1076228923.db2.gz FXEYXTFMDDCMJE-UHFFFAOYSA-N 1 0 408.587 2.249 20 0 HEADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CSC(=O)N1 ZINC000740741627 1076230331 /nfs/dbraw/zinc/23/03/31/1076230331.db2.gz MUKGVOSEKYRQMY-OAHLLOKOSA-N 1 0 416.469 2.159 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)C[C@@H]1C ZINC000740840899 1076264451 /nfs/dbraw/zinc/26/44/51/1076264451.db2.gz HMAXDXOEKNSKLV-ZJBJCVSYSA-N 1 0 400.523 2.093 20 0 HEADRO Cc1cc(=O)oc2cc(OCC[NH+]3CCN(c4ccc(C(N)=O)cc4)CC3)ccc12 ZINC000740878588 1076278957 /nfs/dbraw/zinc/27/89/57/1076278957.db2.gz NTVYHSKPDQMKGR-UHFFFAOYSA-N 1 0 407.470 2.401 20 0 HEADRO CN1CC[NH+](CCCCNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000740907195 1076286747 /nfs/dbraw/zinc/28/67/47/1076286747.db2.gz LEHOCFOBXDINLR-INIZCTEOSA-N 1 0 403.354 2.354 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@H](O)c2ccccc2Cl)CC1 ZINC000740910702 1076288496 /nfs/dbraw/zinc/28/84/96/1076288496.db2.gz TXMFZEMDCHYVMF-GOSISDBHSA-N 1 0 403.914 2.020 20 0 HEADRO C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000740913569 1076303257 /nfs/dbraw/zinc/30/32/57/1076303257.db2.gz AONSRZAUQSYKCY-LJQANCHMSA-N 1 0 407.461 2.481 20 0 HEADRO CC[C@H](C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)[NH+](CC)CC ZINC000741033624 1076331677 /nfs/dbraw/zinc/33/16/77/1076331677.db2.gz WLVONENKWCXFSQ-HXUWFJFHSA-N 1 0 417.550 2.379 20 0 HEADRO C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000741082950 1076357236 /nfs/dbraw/zinc/35/72/36/1076357236.db2.gz IDWAQHWIJXGSSE-SFHVURJKSA-N 1 0 412.575 2.264 20 0 HEADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccsc2)cc1 ZINC000741107384 1076360834 /nfs/dbraw/zinc/36/08/34/1076360834.db2.gz MAEOZPLNGYLBLM-HXUWFJFHSA-N 1 0 405.520 2.041 20 0 HEADRO C[C@](O)(CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccsc1 ZINC000741108145 1076362120 /nfs/dbraw/zinc/36/21/20/1076362120.db2.gz UHXIDVJKDKMVGC-FQEVSTJZSA-N 1 0 419.572 2.259 20 0 HEADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccccc2SCc2ccccc2)CC1 ZINC000741101158 1076372968 /nfs/dbraw/zinc/37/29/68/1076372968.db2.gz HYKTUNOFPLNIHC-UHFFFAOYSA-N 1 0 413.543 2.490 20 0 HEADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2Cl)c1 ZINC000741102204 1076374548 /nfs/dbraw/zinc/37/45/48/1076374548.db2.gz RRXNBTJFVAOXGR-SFHVURJKSA-N 1 0 405.882 2.069 20 0 HEADRO COc1ccc([C@H]2[C@@H](COC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC[N@@H+]2C)cc1 ZINC000741123703 1076380240 /nfs/dbraw/zinc/38/02/40/1076380240.db2.gz IHAPAMWLMAWQFE-IERDGZPVSA-N 1 0 423.469 2.347 20 0 HEADRO O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001066351878 1076381544 /nfs/dbraw/zinc/38/15/44/1076381544.db2.gz FZMZDUHHPHWSBD-YENHRIDLSA-N 1 0 403.567 2.173 20 0 HEADRO C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)n1nnnc1C(C)(C)C ZINC000543692419 1076382348 /nfs/dbraw/zinc/38/23/48/1076382348.db2.gz DYZZFWZFMHYECR-CQSZACIVSA-N 1 0 400.531 2.096 20 0 HEADRO CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000741174338 1076394898 /nfs/dbraw/zinc/39/48/98/1076394898.db2.gz MMYVLQWUHFJILH-SFHVURJKSA-N 1 0 401.555 2.455 20 0 HEADRO Cc1nc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccn12 ZINC000741188301 1076401447 /nfs/dbraw/zinc/40/14/47/1076401447.db2.gz LTDBLTIYPWPSKU-IBGZPJMESA-N 1 0 405.502 2.270 20 0 HEADRO CN(C)c1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)NCCc2cccs2)cc1 ZINC000741237591 1076430455 /nfs/dbraw/zinc/43/04/55/1076430455.db2.gz FXESZUDRFORETN-UHFFFAOYSA-O 1 0 414.580 2.358 20 0 HEADRO Cc1ccc([C@H](O)CNC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)o1 ZINC000741272402 1076439680 /nfs/dbraw/zinc/43/96/80/1076439680.db2.gz ZCSRRHHLDIPVNH-VQTJNVASSA-N 1 0 400.523 2.299 20 0 HEADRO CNC(=O)[C@@H](NC(=O)COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000741318196 1076466059 /nfs/dbraw/zinc/46/60/59/1076466059.db2.gz MESOULPPCKLODF-IRLDBZIGSA-N 1 0 423.513 2.045 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000741338461 1076472086 /nfs/dbraw/zinc/47/20/86/1076472086.db2.gz NAAIIEXBUDVWDO-UHFFFAOYSA-N 1 0 415.534 2.156 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)cc2)CC1 ZINC000741340258 1076474069 /nfs/dbraw/zinc/47/40/69/1076474069.db2.gz HKRHJMBABFLZCI-KRWDZBQOSA-N 1 0 413.522 2.363 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCCn3cnc4ccccc4c3=O)cc2)CC1 ZINC000741341308 1076475781 /nfs/dbraw/zinc/47/57/81/1076475781.db2.gz HURIJZZVCFCFLQ-UHFFFAOYSA-N 1 0 406.486 2.395 20 0 HEADRO C[C@H](OC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(=O)NC(=O)NCC(F)(F)F ZINC000741330078 1076478406 /nfs/dbraw/zinc/47/84/06/1076478406.db2.gz OYYVEMJKSRQQEL-ZDUSSCGKSA-N 1 0 415.412 2.218 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCO1 ZINC000741402803 1076511441 /nfs/dbraw/zinc/51/14/41/1076511441.db2.gz KIKIGWBEKAHXSW-QZTJIDSGSA-N 1 0 409.914 2.450 20 0 HEADRO CN(CCCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000741409240 1076512794 /nfs/dbraw/zinc/51/27/94/1076512794.db2.gz XIFCRZDUYGUPTM-JOCHJYFZSA-N 1 0 420.554 2.180 20 0 HEADRO COC(=O)NCc1ccc(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741394193 1076519798 /nfs/dbraw/zinc/51/97/98/1076519798.db2.gz OBSSDOBOOOILEH-JOCHJYFZSA-N 1 0 412.490 2.301 20 0 HEADRO CCc1cc(CNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)on1 ZINC000741424155 1076534120 /nfs/dbraw/zinc/53/41/20/1076534120.db2.gz BSDJACZMVMVHTQ-UHFFFAOYSA-N 1 0 413.522 2.270 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)[C@H](C)C1 ZINC000741591680 1076548496 /nfs/dbraw/zinc/54/84/96/1076548496.db2.gz URXAMNLJWKJSJX-OXQOHEQNSA-N 1 0 415.538 2.403 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H](C)C1 ZINC000741584578 1076554940 /nfs/dbraw/zinc/55/49/40/1076554940.db2.gz QQWBYOAOBCCCOR-GUYCJALGSA-N 1 0 401.960 2.393 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H](OC(C)C)C3(C)C)cc2)CC1 ZINC000766272886 1076561090 /nfs/dbraw/zinc/56/10/90/1076561090.db2.gz CGVRPUQGNCKECE-WOJBJXKFSA-N 1 0 416.566 2.475 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3C[C@H](OC(C)C)C3(C)C)cc2)CC1 ZINC000766272873 1076561176 /nfs/dbraw/zinc/56/11/76/1076561176.db2.gz CGVRPUQGNCKECE-PMACEKPBSA-N 1 0 416.566 2.475 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3C[C@@H](OC(C)C)C3(C)C)cc2)CC1 ZINC000766272880 1076561227 /nfs/dbraw/zinc/56/12/27/1076561227.db2.gz CGVRPUQGNCKECE-VQTJNVASSA-N 1 0 416.566 2.475 20 0 HEADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000741602530 1076562249 /nfs/dbraw/zinc/56/22/49/1076562249.db2.gz FKOASYJCVKMSHX-CIAFOILYSA-N 1 0 420.492 2.334 20 0 HEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)cn1 ZINC000741607546 1076564156 /nfs/dbraw/zinc/56/41/56/1076564156.db2.gz IHKGAQGLFWSVKJ-OAQYLSRUSA-N 1 0 413.522 2.200 20 0 HEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc3ccccc3c(Cl)n2)cn1 ZINC000741608945 1076564830 /nfs/dbraw/zinc/56/48/30/1076564830.db2.gz ZNNJFNHREKUFEV-UHFFFAOYSA-N 1 0 400.870 2.015 20 0 HEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)cn1 ZINC000741610188 1076565236 /nfs/dbraw/zinc/56/52/36/1076565236.db2.gz QGOCPWXVAZGXET-UHFFFAOYSA-N 1 0 403.486 2.384 20 0 HEADRO CN(C(=O)c1cc(N2CCOC2=O)ccc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000741689752 1076588133 /nfs/dbraw/zinc/58/81/33/1076588133.db2.gz GDCQGCJQPJBZEL-QGZVFWFLSA-N 1 0 404.486 2.023 20 0 HEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000741703571 1076598356 /nfs/dbraw/zinc/59/83/56/1076598356.db2.gz DORDWKOOPFCUMH-FXAWDEMLSA-N 1 0 422.595 2.217 20 0 HEADRO COCCC[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000741726630 1076608169 /nfs/dbraw/zinc/60/81/69/1076608169.db2.gz GSBWZGUVSRZTRX-UHFFFAOYSA-N 1 0 419.975 2.067 20 0 HEADRO Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000741781734 1076625046 /nfs/dbraw/zinc/62/50/46/1076625046.db2.gz OUWFZNVOBGZMLZ-PKOBYXMFSA-N 1 0 405.539 2.381 20 0 HEADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)[C@H](C)C(C)C ZINC000741788155 1076627876 /nfs/dbraw/zinc/62/78/76/1076627876.db2.gz OLENMGXJWOYNNM-KZIRBZLESA-N 1 0 407.580 2.498 20 0 HEADRO CNC(=O)[C@@H](NC(=O)C[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000741790501 1076628742 /nfs/dbraw/zinc/62/87/42/1076628742.db2.gz FFYPWINVOOHVBZ-IRLDBZIGSA-N 1 0 415.509 2.421 20 0 HEADRO CC(C)C[N@@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)C[C@H](O)c1ccc(F)cc1 ZINC000741790770 1076629899 /nfs/dbraw/zinc/62/98/99/1076629899.db2.gz KLJRRRSMVHRHAL-PXNSSMCTSA-N 1 0 407.530 2.334 20 0 HEADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC4(C3)CCCCC4)C2=O)cc1 ZINC000741808409 1076634049 /nfs/dbraw/zinc/63/40/49/1076634049.db2.gz UESUWCIXCQPPRH-OAQYLSRUSA-N 1 0 414.506 2.150 20 0 HEADRO Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)NC3CC[NH+](C(C)C)CC3)ccc12 ZINC000741830295 1076648754 /nfs/dbraw/zinc/64/87/54/1076648754.db2.gz MBXDTTDUALXWMX-UHFFFAOYSA-N 1 0 416.474 2.012 20 0 HEADRO Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=S)NCCC[NH+](C)C)CC2)c(C)c1 ZINC000737452660 1076659429 /nfs/dbraw/zinc/65/94/29/1076659429.db2.gz RCNRBAUSOONAKC-SFHVURJKSA-N 1 0 406.596 2.041 20 0 HEADRO C[C@@H](CNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[N@@H+]1CCCC[C@@H]1C ZINC000741902237 1076665196 /nfs/dbraw/zinc/66/51/96/1076665196.db2.gz TYXAOOSKTTZFRS-IRXDYDNUSA-N 1 0 420.579 2.227 20 0 HEADRO Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)CC2=O)cc1F ZINC000741944573 1076688592 /nfs/dbraw/zinc/68/85/92/1076688592.db2.gz LIAAEMLHGKIAOF-INIZCTEOSA-N 1 0 412.465 2.286 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)cc1 ZINC000741982504 1076702312 /nfs/dbraw/zinc/70/23/12/1076702312.db2.gz USOIPFQHHFLJCZ-WOJBJXKFSA-N 1 0 412.534 2.013 20 0 HEADRO CN1CCC(CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)([NH+]2CCCCC2)CC1 ZINC000742010116 1076706043 /nfs/dbraw/zinc/70/60/43/1076706043.db2.gz BAOHWWBOVIEWBA-HXUWFJFHSA-N 1 0 402.514 2.385 20 0 HEADRO CN1CCC(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)([NH+]2CCCCC2)CC1 ZINC000742011285 1076706752 /nfs/dbraw/zinc/70/67/52/1076706752.db2.gz NAKVCRXDRISXBP-SFHVURJKSA-N 1 0 416.541 2.245 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000742074498 1076735772 /nfs/dbraw/zinc/73/57/72/1076735772.db2.gz KJJDIUFPYBTBLZ-RBUKOAKNSA-N 1 0 405.926 2.453 20 0 HEADRO O=C(N/C(=C\c1ccco1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000742105408 1076743604 /nfs/dbraw/zinc/74/36/04/1076743604.db2.gz WWAYHXLBIPVIHI-IGCAKMCNSA-N 1 0 409.486 2.231 20 0 HEADRO O=C(/C=C/c1ccc(I)o1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742107159 1076744464 /nfs/dbraw/zinc/74/44/64/1076744464.db2.gz GLWDLKMYMKSRBE-CXLRFSCWSA-N 1 0 416.259 2.078 20 0 HEADRO S=c1n(CN2CC[C@@H]([NH+]3CC=CC3)C2)nc(N2CCCCC2)n1C[C@H]1CCCO1 ZINC000742164258 1076761301 /nfs/dbraw/zinc/76/13/01/1076761301.db2.gz YSSFITWMBZYEIT-RTBURBONSA-N 1 0 418.611 2.487 20 0 HEADRO Cc1ccc(C)c([C@@H]2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)[C@@H](C)CO2)c1 ZINC000742169009 1076762464 /nfs/dbraw/zinc/76/24/64/1076762464.db2.gz AHXVHPWVJLMBIK-HKUYNNGSSA-N 1 0 400.523 2.039 20 0 HEADRO COc1ccc(C[C@]2(C)NC(=O)N(CN3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000742169205 1076762847 /nfs/dbraw/zinc/76/28/47/1076762847.db2.gz PBRSCFMVQBMNCT-XXBNENTESA-N 1 0 414.550 2.314 20 0 HEADRO O=c1ccn(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c2c(Br)cccc12 ZINC000742161714 1076772252 /nfs/dbraw/zinc/77/22/52/1076772252.db2.gz NCJRTYWZRHPMOS-OAHLLOKOSA-N 1 0 406.324 2.376 20 0 HEADRO C[C@@H](NC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000742197463 1076784787 /nfs/dbraw/zinc/78/47/87/1076784787.db2.gz UJGZEKPRVJEPNG-CGQZWFTASA-N 1 0 421.563 2.221 20 0 HEADRO C[NH+](C)CCN1C[C@@H](C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)CC1=O ZINC000742251491 1076798676 /nfs/dbraw/zinc/79/86/76/1076798676.db2.gz CPPNIXRWRNHXPR-HNNXBMFYSA-N 1 0 401.488 2.316 20 0 HEADRO CC[NH+](CC)CCSCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000742220557 1076800740 /nfs/dbraw/zinc/80/07/40/1076800740.db2.gz QMYKXXIOJRPNKX-UHFFFAOYSA-N 1 0 412.581 2.171 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000742238771 1076803627 /nfs/dbraw/zinc/80/36/27/1076803627.db2.gz BHHDJRHCYICDEF-GOSISDBHSA-N 1 0 407.580 2.394 20 0 HEADRO Cc1nccn1-c1ccc(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000742246654 1076805382 /nfs/dbraw/zinc/80/53/82/1076805382.db2.gz RXFWJKBNMUDFAJ-UHFFFAOYSA-N 1 0 404.518 2.404 20 0 HEADRO CC(C)COC(=O)N1CCCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000742249648 1076806137 /nfs/dbraw/zinc/80/61/37/1076806137.db2.gz VBTBBSBDWGZBPW-UHFFFAOYSA-N 1 0 416.566 2.375 20 0 HEADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000737460868 1076806622 /nfs/dbraw/zinc/80/66/22/1076806622.db2.gz ZZMKTAYOXLPDMM-AWEZNQCLSA-N 1 0 414.597 2.106 20 0 HEADRO CC[NH+]1CCC(NS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000742274954 1076807832 /nfs/dbraw/zinc/80/78/32/1076807832.db2.gz IMMVBXRBYKODCK-LJQANCHMSA-N 1 0 423.579 2.439 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000742276948 1076808570 /nfs/dbraw/zinc/80/85/70/1076808570.db2.gz HUZJYCMOROLGQA-UFYCRDLUSA-N 1 0 421.563 2.334 20 0 HEADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(N3CCOC3=O)cc2)Cc2ccccc2C1 ZINC000742306294 1076813768 /nfs/dbraw/zinc/81/37/68/1076813768.db2.gz LZMJCJHTYZJPKV-UHFFFAOYSA-N 1 0 415.515 2.021 20 0 HEADRO C[C@@H](CNS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000742290619 1076818390 /nfs/dbraw/zinc/81/83/90/1076818390.db2.gz DSFPMXQHEKWOCT-HKUYNNGSSA-N 1 0 423.579 2.437 20 0 HEADRO C[C@H](CNS(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000742290434 1076818507 /nfs/dbraw/zinc/81/85/07/1076818507.db2.gz AMYYPFVGAAMRFY-VQIMIIECSA-N 1 0 409.552 2.190 20 0 HEADRO C[C@@H](CNS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000742290432 1076818550 /nfs/dbraw/zinc/81/85/50/1076818550.db2.gz AMYYPFVGAAMRFY-LPHOPBHVSA-N 1 0 409.552 2.190 20 0 HEADRO C[C@H](CNS(=O)(=O)/C=C/c1cccc(Br)c1)CN1CC[NH+](C)CC1 ZINC000742313230 1076828118 /nfs/dbraw/zinc/82/81/18/1076828118.db2.gz PHHJNOOJDPDSAM-KDHUCADRSA-N 1 0 416.385 2.223 20 0 HEADRO C[C@@H](CNS(=O)(=O)/C=C\c1cccc(Br)c1)CN1CC[NH+](C)CC1 ZINC000742313229 1076828123 /nfs/dbraw/zinc/82/81/23/1076828123.db2.gz PHHJNOOJDPDSAM-FTXNUJCXSA-N 1 0 416.385 2.223 20 0 HEADRO C[C@@H](CNS(=O)(=O)/C=C/c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000742314193 1076828330 /nfs/dbraw/zinc/82/83/30/1076828330.db2.gz WCLBPXOVUCDFRX-BLMSOEDDSA-N 1 0 416.385 2.223 20 0 HEADRO O=S(=O)(/C=C\c1cccc(Br)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000742316214 1076828464 /nfs/dbraw/zinc/82/84/64/1076828464.db2.gz FONHTDQNVYFSGP-YLBKJFSISA-N 1 0 415.353 2.404 20 0 HEADRO OCCCC[NH+]1CCN(c2ncnc3ccc(I)cc32)CC1 ZINC000742411034 1076835368 /nfs/dbraw/zinc/83/53/68/1076835368.db2.gz JCFJIXKAJJTCMA-UHFFFAOYSA-N 1 0 412.275 2.129 20 0 HEADRO CCCCc1nnc(SCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1N ZINC000742457169 1076843367 /nfs/dbraw/zinc/84/33/67/1076843367.db2.gz YSWLFHQCVLXJQN-UHFFFAOYSA-N 1 0 402.568 2.339 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)cn2)CC1 ZINC000742509086 1076846297 /nfs/dbraw/zinc/84/62/97/1076846297.db2.gz AUUPRTUCCJSWTE-SFHVURJKSA-N 1 0 417.554 2.239 20 0 HEADRO C[C@@H](CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)NC(=O)OC(C)(C)C ZINC000742542165 1076850046 /nfs/dbraw/zinc/85/00/46/1076850046.db2.gz PJWWKCXVAPOZJV-KRWDZBQOSA-N 1 0 404.555 2.354 20 0 HEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)CC1 ZINC000742542443 1076850203 /nfs/dbraw/zinc/85/02/03/1076850203.db2.gz TVAITCUFCUPRBT-UHFFFAOYSA-N 1 0 415.534 2.274 20 0 HEADRO CC(C)n1ccc(CC(=O)N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)n1 ZINC000742586115 1076853562 /nfs/dbraw/zinc/85/35/62/1076853562.db2.gz NGZXTJCEAWLUPI-UHFFFAOYSA-N 1 0 405.587 2.480 20 0 HEADRO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000742623187 1076854353 /nfs/dbraw/zinc/85/43/53/1076854353.db2.gz BITLQTXWSCJFNB-RHSMWYFYSA-N 1 0 408.543 2.475 20 0 HEADRO CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(OCCc3ccccc3)CC2)CC1 ZINC000742593925 1076854513 /nfs/dbraw/zinc/85/45/13/1076854513.db2.gz BWALHTBHPHMQBH-UHFFFAOYSA-N 1 0 403.523 2.011 20 0 HEADRO Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000742598108 1076854615 /nfs/dbraw/zinc/85/46/15/1076854615.db2.gz DEAAJFHEDNNNJV-CVEARBPZSA-N 1 0 411.531 2.448 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000742644192 1076860854 /nfs/dbraw/zinc/86/08/54/1076860854.db2.gz VYEQIPVWUSCFEM-SFHVURJKSA-N 1 0 405.539 2.210 20 0 HEADRO C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000742666494 1076861992 /nfs/dbraw/zinc/86/19/92/1076861992.db2.gz VVAUGQFBRYDTEJ-UHOSZYNNSA-N 1 0 404.555 2.251 20 0 HEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)CC2)C1 ZINC000742680512 1076864504 /nfs/dbraw/zinc/86/45/04/1076864504.db2.gz PUEYOVDUDKQUTR-MRXNPFEDSA-N 1 0 406.527 2.156 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCn1cnc2ccccc21 ZINC000742689148 1076867135 /nfs/dbraw/zinc/86/71/35/1076867135.db2.gz DQRAXXCZOLAKND-CQSZACIVSA-N 1 0 407.927 2.344 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN1CCc2ccccc21 ZINC000742718559 1076874342 /nfs/dbraw/zinc/87/43/42/1076874342.db2.gz PLPGYSOLQSSVQS-INIZCTEOSA-N 1 0 408.955 2.357 20 0 HEADRO Cn1ccnc1[C@@](O)(CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C(F)(F)F ZINC000742789592 1076879344 /nfs/dbraw/zinc/87/93/44/1076879344.db2.gz AESIAYZMOBTFFQ-APWZRJJASA-N 1 0 410.440 2.293 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)C1 ZINC000742868132 1076890251 /nfs/dbraw/zinc/89/02/51/1076890251.db2.gz QDKFQMLCZJYOBO-KRWDZBQOSA-N 1 0 420.579 2.038 20 0 HEADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=S)NCCCN1CCOCC1 ZINC000743060346 1076947677 /nfs/dbraw/zinc/94/76/77/1076947677.db2.gz BSIGYVALJUYYGM-NRFANRHFSA-N 1 0 404.624 2.427 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cc2)CCO1 ZINC000743180101 1076992501 /nfs/dbraw/zinc/99/25/01/1076992501.db2.gz IOCZVGLXFSFWHL-GOSISDBHSA-N 1 0 424.549 2.380 20 0 HEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1ccn(CCc2ccncc2)n1 ZINC000743189018 1077002457 /nfs/dbraw/zinc/00/24/57/1077002457.db2.gz ZFFSEJBLJWGVEL-HSZRJFAPSA-N 1 0 420.517 2.279 20 0 HEADRO COc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1N1CCOC1=O ZINC000743236692 1077011053 /nfs/dbraw/zinc/01/10/53/1077011053.db2.gz PYJUZTMWSNBJJF-MRXNPFEDSA-N 1 0 406.483 2.226 20 0 HEADRO C[C@@H]1C[C@H](NC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC[N@@H+]1C ZINC000743238607 1077011760 /nfs/dbraw/zinc/01/17/60/1077011760.db2.gz RJDVQOHGGIYXRD-TZMCWYRMSA-N 1 0 403.932 2.368 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCCN(C(=O)OC)C1 ZINC000743243683 1077013021 /nfs/dbraw/zinc/01/30/21/1077013021.db2.gz GEJKRQYGLCFPBI-INIZCTEOSA-N 1 0 419.526 2.189 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC2(CC1)OCCO2 ZINC000743243322 1077013241 /nfs/dbraw/zinc/01/32/41/1077013241.db2.gz XWXUJWPJBSDNPK-UHFFFAOYSA-N 1 0 404.511 2.208 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCc1nnc2ccccn21 ZINC000743243310 1077013249 /nfs/dbraw/zinc/01/32/49/1077013249.db2.gz XOPCMKGLNHCWDA-UHFFFAOYSA-N 1 0 423.521 2.244 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000743338946 1077030027 /nfs/dbraw/zinc/03/00/27/1077030027.db2.gz GXNAPHRUKQISSS-AZUAARDMSA-N 1 0 418.582 2.265 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(CN2C(=O)N[C@](CC)(c3ccc(OC)cc3)C2=O)C1 ZINC000743390653 1077040127 /nfs/dbraw/zinc/04/01/27/1077040127.db2.gz SZOJZXJLGVMVPC-VGOFRKELSA-N 1 0 402.539 2.474 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(Cn2nc(N3CCOCC3)n(CC(F)(F)F)c2=S)C1 ZINC000743395227 1077041185 /nfs/dbraw/zinc/04/11/85/1077041185.db2.gz SMONXZJGQCQLKW-AWEZNQCLSA-N 1 0 422.521 2.187 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(Cn2nc(N3CCOCC3)n(CC(F)(F)F)c2=S)C1 ZINC000743397424 1077042217 /nfs/dbraw/zinc/04/22/17/1077042217.db2.gz BOXGLBQBJHLJQF-CQSZACIVSA-N 1 0 422.521 2.044 20 0 HEADRO COc1cc2c(cc1OC)N(CN1CC[C@H]([N@H+](C)Cc3ccccc3)C1)C(=O)C2=O ZINC000743375899 1077044210 /nfs/dbraw/zinc/04/42/10/1077044210.db2.gz BRKHDDBRIHVHGO-KRWDZBQOSA-N 1 0 409.486 2.397 20 0 HEADRO C[C@@H]1CN(CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C[C@@H](C)S1 ZINC000743376003 1077044229 /nfs/dbraw/zinc/04/42/29/1077044229.db2.gz IPTIYOCGPBUNRQ-CBGDNZLLSA-N 1 0 402.564 2.356 20 0 HEADRO COc1cc2c(c(OC)c1)C(=O)C(=O)N2CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000743378048 1077044721 /nfs/dbraw/zinc/04/47/21/1077044721.db2.gz VPMQSQINJINQSJ-KRWDZBQOSA-N 1 0 409.486 2.397 20 0 HEADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000743431215 1077046662 /nfs/dbraw/zinc/04/66/62/1077046662.db2.gz KXEZRLXIRVDBME-IBGZPJMESA-N 1 0 418.501 2.234 20 0 HEADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000743422898 1077050545 /nfs/dbraw/zinc/05/05/45/1077050545.db2.gz LDAOWVCSGLGYHA-SFHVURJKSA-N 1 0 410.518 2.269 20 0 HEADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000743474121 1077057275 /nfs/dbraw/zinc/05/72/75/1077057275.db2.gz IJNFVSCPOWRITK-HZPDHXFCSA-N 1 0 423.513 2.375 20 0 HEADRO CN(C[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000743535318 1077064876 /nfs/dbraw/zinc/06/48/76/1077064876.db2.gz FMEHQTSYSYQADN-SFHVURJKSA-N 1 0 411.591 2.055 20 0 HEADRO Cc1cc([C@@](C)(O)CNC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)c(C)o1 ZINC000743512002 1077065362 /nfs/dbraw/zinc/06/53/62/1077065362.db2.gz ZTBAOKIZCNLNOF-QHCPKHFHSA-N 1 0 423.517 2.411 20 0 HEADRO Cc1nccn1-c1ncccc1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000743557275 1077068313 /nfs/dbraw/zinc/06/83/13/1077068313.db2.gz PSEGVDYZNXYSHK-UHFFFAOYSA-N 1 0 404.518 2.474 20 0 HEADRO CCN1CCN(C(=O)c2ccc(NC(=S)NC[C@@H]3CCC[N@@H+]3CC)cc2)CC1 ZINC000743580227 1077072413 /nfs/dbraw/zinc/07/24/13/1077072413.db2.gz NIXKHRFKCPHYEV-IBGZPJMESA-N 1 0 403.596 2.235 20 0 HEADRO Cn1cc([C@@H](O)CNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cn1 ZINC000743602431 1077078886 /nfs/dbraw/zinc/07/88/86/1077078886.db2.gz QBFMWBWCRJRSBG-OALUTQOASA-N 1 0 405.930 2.461 20 0 HEADRO Cn1cc([C@H](O)CNC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cn1 ZINC000743602333 1077078983 /nfs/dbraw/zinc/07/89/83/1077078983.db2.gz IHKNIZBWEOIANA-JOCHJYFZSA-N 1 0 413.566 2.488 20 0 HEADRO Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)C2=O)cc1 ZINC000743633835 1077084134 /nfs/dbraw/zinc/08/41/34/1077084134.db2.gz QOFCLJJOHSDOOI-JOCHJYFZSA-N 1 0 406.530 2.278 20 0 HEADRO CC(C)OC(=O)N1CCC(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000743634665 1077084762 /nfs/dbraw/zinc/08/47/62/1077084762.db2.gz ZUGUGWFKKZDRCF-UHFFFAOYSA-N 1 0 402.539 2.394 20 0 HEADRO O=C(NCCOC1CCC1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000743695267 1077091974 /nfs/dbraw/zinc/09/19/74/1077091974.db2.gz 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408.495 2.486 20 0 HEADRO C[C@@H]1CCN(CC(=O)NC2CCC3(CC2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000743872478 1077156659 /nfs/dbraw/zinc/15/66/59/1077156659.db2.gz YNUUHOBBCAFKIB-LJQANCHMSA-N 1 0 401.551 2.385 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000743877211 1077159721 /nfs/dbraw/zinc/15/97/21/1077159721.db2.gz LUEBGKCMBNDGDG-IBGZPJMESA-N 1 0 424.501 2.179 20 0 HEADRO Cc1c(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cccc1N1CCOC1=O ZINC000743877248 1077159824 /nfs/dbraw/zinc/15/98/24/1077159824.db2.gz MNQHKPUOSCYZSR-MRXNPFEDSA-N 1 0 416.503 2.371 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCSCC3)cc2)CC1 ZINC000743880305 1077163703 /nfs/dbraw/zinc/16/37/03/1077163703.db2.gz BCBAUPLLEKOODU-UHFFFAOYSA-N 1 0 404.580 2.415 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000743913135 1077190612 /nfs/dbraw/zinc/19/06/12/1077190612.db2.gz FYQPTRRAQLCVMI-QGZVFWFLSA-N 1 0 404.555 2.050 20 0 HEADRO 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C[NH+]1CCN(C[C@H](NC(=O)c2cnn(-c3ccc(F)cc3)n2)c2ccccc2)CC1 ZINC000737543005 1077390062 /nfs/dbraw/zinc/39/00/62/1077390062.db2.gz OJDJAEHXKSUAJI-NRFANRHFSA-N 1 0 408.481 2.125 20 0 HEADRO COCCNc1nn(CN2CCC(OCC[NH+]3CCCC3)CC2)c(=S)s1 ZINC000744440254 1077395126 /nfs/dbraw/zinc/39/51/26/1077395126.db2.gz JEAZQXPKVWJKFV-UHFFFAOYSA-N 1 0 401.602 2.267 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2csc(-c3cccnc3)n2)CC1 ZINC000744518924 1077435884 /nfs/dbraw/zinc/43/58/84/1077435884.db2.gz SMWNQLYZGOSGJJ-UHFFFAOYSA-N 1 0 402.520 2.280 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000744563955 1077473536 /nfs/dbraw/zinc/47/35/36/1077473536.db2.gz JMEKBVWWKZJURB-HNNXBMFYSA-N 1 0 421.925 2.225 20 0 HEADRO O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000744758155 1077570672 /nfs/dbraw/zinc/57/06/72/1077570672.db2.gz AUMMTCYXVDTSHW-UHFFFAOYSA-N 1 0 421.925 2.169 20 0 HEADRO O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000744758691 1077571106 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20 0 HEADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NCCOc2ccc(Cl)cc2)cn1 ZINC000766955243 1079520304 /nfs/dbraw/zinc/52/03/04/1079520304.db2.gz FTCOCXRVMNYEOU-HKUYNNGSSA-N 1 0 406.914 2.157 20 0 HEADRO CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000766959371 1079522537 /nfs/dbraw/zinc/52/25/37/1079522537.db2.gz CEYPQUJAIDGJCE-NHCUHLMSSA-N 1 0 400.523 2.161 20 0 HEADRO CCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000766959754 1079522704 /nfs/dbraw/zinc/52/27/04/1079522704.db2.gz JBRJNDYITTUXNE-TZIWHRDSSA-N 1 0 400.523 2.413 20 0 HEADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CC(=O)NCCOc2cccc(Cl)c2)cn1 ZINC000766960362 1079523970 /nfs/dbraw/zinc/52/39/70/1079523970.db2.gz LIGJPUATIXQGQG-IEBWSBKVSA-N 1 0 406.914 2.157 20 0 HEADRO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc(C(=O)OC)c1 ZINC000766961989 1079526763 /nfs/dbraw/zinc/52/67/63/1079526763.db2.gz ARAAPOUPJUJKEH-RTBURBONSA-N 1 0 401.463 2.081 20 0 HEADRO Cc1cccc(OCCCNC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766946302 1079537434 /nfs/dbraw/zinc/53/74/34/1079537434.db2.gz OUYISCRILSRIJE-PZJWPPBQSA-N 1 0 400.523 2.202 20 0 HEADRO O=C(C[NH2+][C@@H](CCO)C1CC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000771802945 1079537610 /nfs/dbraw/zinc/53/76/10/1079537610.db2.gz ZEPWUNRHJUDWAI-HNNXBMFYSA-N 1 0 420.863 2.153 20 0 HEADRO CCOC(=O)C1=C(C[NH2+][C@H](CCO)C2CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000771802917 1079537644 /nfs/dbraw/zinc/53/76/44/1079537644.db2.gz YVHICGWXMPZDJN-CRAIPNDOSA-N 1 0 407.898 2.262 20 0 HEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)[NH2+][C@H](CO)C2CC2)c1 ZINC000771806035 1079539383 /nfs/dbraw/zinc/53/93/83/1079539383.db2.gz HOCGSADKFVSKLE-SJKOYZFVSA-N 1 0 417.959 2.058 20 0 HEADRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766948821 1079543484 /nfs/dbraw/zinc/54/34/84/1079543484.db2.gz WIPTYANPEGAVBV-XAUMDUMWSA-N 1 0 416.522 2.203 20 0 HEADRO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1 ZINC000766950010 1079544562 /nfs/dbraw/zinc/54/45/62/1079544562.db2.gz JTSDPOMNIVPBCS-IRLDBZIGSA-N 1 0 414.550 2.454 20 0 HEADRO CCO[C@@H]1C[C@@]2(NC(=O)N(c3ccc(N4CC[NH+](CC)CC4)cc3)C2=O)C1(C)C ZINC000771828929 1079550776 /nfs/dbraw/zinc/55/07/76/1079550776.db2.gz SWQNWDGJZPBXDB-GCJKJVERSA-N 1 0 400.523 2.459 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@@H]21 ZINC000766990496 1079551130 /nfs/dbraw/zinc/55/11/30/1079551130.db2.gz SMKSPLVCIIDAMI-ZBFHGGJFSA-N 1 0 404.580 2.471 20 0 HEADRO O=C1[C@H](N2CC[NH+](CCCCO)CC2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000746484805 1079557095 /nfs/dbraw/zinc/55/70/95/1079557095.db2.gz YOYJOYGPYJDIME-QGZVFWFLSA-N 1 0 401.429 2.081 20 0 HEADRO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766962936 1079559048 /nfs/dbraw/zinc/55/90/48/1079559048.db2.gz WTRNBENEOFFJNF-PZJWPPBQSA-N 1 0 400.523 2.412 20 0 HEADRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000766983162 1079578468 /nfs/dbraw/zinc/57/84/68/1079578468.db2.gz VGMLIOPPVPVHIU-BBRMVZONSA-N 1 0 401.532 2.419 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCOCC1CCOCC1 ZINC000740898224 1079580294 /nfs/dbraw/zinc/58/02/94/1079580294.db2.gz JEXUVYBNURLTLT-INIZCTEOSA-N 1 0 419.975 2.127 20 0 HEADRO Cn1ccnc1[C@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000771947949 1079597172 /nfs/dbraw/zinc/59/71/72/1079597172.db2.gz DCHQSNKNWVKUMK-OAQYLSRUSA-N 1 0 411.550 2.324 20 0 HEADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CCOCC1 ZINC000767028245 1079611856 /nfs/dbraw/zinc/61/18/56/1079611856.db2.gz AJQGVQVEROLJQG-LJQANCHMSA-N 1 0 403.523 2.262 20 0 HEADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)s1 ZINC000771980103 1079622718 /nfs/dbraw/zinc/62/27/18/1079622718.db2.gz LEQQPDIVSFKDES-CQSZACIVSA-N 1 0 403.570 2.242 20 0 HEADRO Cc1ncc(CCNC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000772008055 1079649548 /nfs/dbraw/zinc/64/95/48/1079649548.db2.gz UPJZWWLYQUKIIX-GOSISDBHSA-N 1 0 415.563 2.191 20 0 HEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000767080583 1079650494 /nfs/dbraw/zinc/65/04/94/1079650494.db2.gz IPBQZOXYWPHBQI-HDICACEKSA-N 1 0 411.568 2.200 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCCC[C@@](C)(O)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170036829 1079663412 /nfs/dbraw/zinc/66/34/12/1079663412.db2.gz DPJWELVVFJNSBI-GQIGUUNPSA-N 1 0 413.584 2.134 20 0 HEADRO CN(CC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCSC1 ZINC000767117323 1079684631 /nfs/dbraw/zinc/68/46/31/1079684631.db2.gz QVQHHOUXFNMWJX-GOSISDBHSA-N 1 0 423.604 2.154 20 0 HEADRO C[N@@H+]1CC[C@H](NC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)[C@H]1c1ccccc1 ZINC000772028853 1079687065 /nfs/dbraw/zinc/68/70/65/1079687065.db2.gz DYMNCIWCGSTRNH-PZJWPPBQSA-N 1 0 423.517 2.179 20 0 HEADRO CCC[C@H]1CN(C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC[N@@H+]1CCOC ZINC000767122823 1079688866 /nfs/dbraw/zinc/68/88/66/1079688866.db2.gz JGVVXJHCFJIXFU-UCFODXPJSA-N 1 0 415.538 2.278 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000767163281 1079701242 /nfs/dbraw/zinc/70/12/42/1079701242.db2.gz GAZHWYIELQSNDJ-GJZGRUSLSA-N 1 0 414.597 2.326 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000767169262 1079705341 /nfs/dbraw/zinc/70/53/41/1079705341.db2.gz XGUXJGNOZSNBKT-ROUUACIJSA-N 1 0 414.616 2.426 20 0 HEADRO CC1(C)OCC(C)(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CO1 ZINC000767173370 1079708854 /nfs/dbraw/zinc/70/88/54/1079708854.db2.gz IXATVQAMRQYYFE-LJQANCHMSA-N 1 0 416.566 2.231 20 0 HEADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(CC[NH+](C)C)c3ccccc3)C2=O)cc1 ZINC000746528217 1079719780 /nfs/dbraw/zinc/71/97/80/1079719780.db2.gz LFSLHWTVKAIUDS-HSZRJFAPSA-N 1 0 424.501 2.057 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2CCC[C@@](C)(O)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170039005 1079721635 /nfs/dbraw/zinc/72/16/35/1079721635.db2.gz 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NC(=O)c1cc(OC2CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)ccn1 ZINC000772350713 1079811408 /nfs/dbraw/zinc/81/14/08/1079811408.db2.gz HMBQLWGHDZKDSG-NRFANRHFSA-N 1 0 408.502 2.215 20 0 HEADRO COC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000772364209 1079847870 /nfs/dbraw/zinc/84/78/70/1079847870.db2.gz MLAOKTNYZXPVSN-UHFFFAOYSA-N 1 0 411.462 2.231 20 0 HEADRO CCc1nn(C)c(Cl)c1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000767434326 1079862809 /nfs/dbraw/zinc/86/28/09/1079862809.db2.gz CZEAJGYJGIMSPD-MRXNPFEDSA-N 1 0 417.941 2.263 20 0 HEADRO COC(=O)c1cc(I)c(Cl)cc1NC[C@H]1COCC[NH2+]1 ZINC001170042916 1079869496 /nfs/dbraw/zinc/86/94/96/1079869496.db2.gz GATKOKYXJVRMCM-QMMMGPOBSA-N 1 0 410.639 2.132 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000772460842 1079888049 /nfs/dbraw/zinc/88/80/49/1079888049.db2.gz FHWFCHCXPOSWCH-OKZBNKHCSA-N 1 0 412.575 2.430 20 0 HEADRO Cn1nnnc1CC[NH2+][C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000772464874 1079890131 /nfs/dbraw/zinc/89/01/31/1079890131.db2.gz GICMFNDUOJDKEG-HRAATJIYSA-N 1 0 414.510 2.246 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)NCCCc2ccccn2)cc1)C1CC[NH+](C)CC1 ZINC000772512200 1079907681 /nfs/dbraw/zinc/90/76/81/1079907681.db2.gz RJRMOFFBBSCFIC-UHFFFAOYSA-N 1 0 409.534 2.300 20 0 HEADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@@H](C)CCC[C@@H]3C)C2=O)cc1 ZINC000741794107 1079930365 /nfs/dbraw/zinc/93/03/65/1079930365.db2.gz RZCWJWXAZYDMHE-GXZWQRSESA-N 1 0 402.495 2.004 20 0 HEADRO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000767564712 1079974673 /nfs/dbraw/zinc/97/46/73/1079974673.db2.gz XNVVLCZUOGXNMT-VQIMIIECSA-N 1 0 405.539 2.479 20 0 HEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772633494 1079993729 /nfs/dbraw/zinc/99/37/29/1079993729.db2.gz QDIWHCQDZISFGL-DLBZAZTESA-N 1 0 414.333 2.358 20 0 HEADRO COCC[NH+]1CCC(NC(=O)N(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000772604033 1080004607 /nfs/dbraw/zinc/00/46/07/1080004607.db2.gz RKQJWPMXKDOEBU-SFHVURJKSA-N 1 0 410.559 2.281 20 0 HEADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000772657931 1080014690 /nfs/dbraw/zinc/01/46/90/1080014690.db2.gz HPIAYBSUVZAFHQ-LJQANCHMSA-N 1 0 403.910 2.371 20 0 HEADRO CCCO[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170046961 1080015345 /nfs/dbraw/zinc/01/53/45/1080015345.db2.gz AJHAZEMKRZFOAE-ZACQAIPSSA-N 1 0 413.584 2.398 20 0 HEADRO C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000785515656 1080030103 /nfs/dbraw/zinc/03/01/03/1080030103.db2.gz ADHFAIROUSLNDD-ROUUACIJSA-N 1 0 424.586 2.130 20 0 HEADRO CCOc1ccnc(N2CCC[N@H+](C[C@H](O)c3cc(OC)ccc3OC)CC2)n1 ZINC000767705277 1080032500 /nfs/dbraw/zinc/03/25/00/1080032500.db2.gz GPMBUXRSVQKDPR-SFHVURJKSA-N 1 0 402.495 2.138 20 0 HEADRO CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000785522369 1080035169 /nfs/dbraw/zinc/03/51/69/1080035169.db2.gz 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20 0 HEADRO COc1cccc(CNC(=O)[C@H](C)OC(=O)CC2([NH+]3CCOCC3)CCCC2)c1 ZINC000786097598 1080392896 /nfs/dbraw/zinc/39/28/96/1080392896.db2.gz YBZXMRQGPDHFKZ-KRWDZBQOSA-N 1 0 404.507 2.278 20 0 HEADRO CCOC(=O)c1ccccc1NC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786099937 1080395436 /nfs/dbraw/zinc/39/54/36/1080395436.db2.gz XKPGQQHKGTZPGF-UHFFFAOYSA-N 1 0 418.490 2.380 20 0 HEADRO CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000768205458 1080395573 /nfs/dbraw/zinc/39/55/73/1080395573.db2.gz CVMLGDNTAHBJAH-OALUTQOASA-N 1 0 412.465 2.028 20 0 HEADRO COc1ccc([C@H](CNC(=O)COC(=O)c2cc(C)ncn2)[NH+]2CCCCC2)cc1 ZINC000786111676 1080403710 /nfs/dbraw/zinc/40/37/10/1080403710.db2.gz BMHVQAUSWFOIGV-FQEVSTJZSA-N 1 0 412.490 2.294 20 0 HEADRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768219718 1080423093 /nfs/dbraw/zinc/42/30/93/1080423093.db2.gz GVCGBYQXAXMOLS-YLJYHZDGSA-N 1 0 403.523 2.309 20 0 HEADRO COCCN1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768220217 1080424556 /nfs/dbraw/zinc/42/45/56/1080424556.db2.gz OSOBILGBEXIHQN-HMXCVIKNSA-N 1 0 405.539 2.113 20 0 HEADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000768221828 1080425336 /nfs/dbraw/zinc/42/53/36/1080425336.db2.gz RWJWIBAYBGFURO-UHFFFAOYSA-N 1 0 403.708 2.425 20 0 HEADRO CC(C)([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000786151709 1080426099 /nfs/dbraw/zinc/42/60/99/1080426099.db2.gz UDDQKMYEFMVJLL-UHFFFAOYSA-N 1 0 412.328 2.299 20 0 HEADRO CC(C)([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C1CCOCC1 ZINC000786152159 1080427727 /nfs/dbraw/zinc/42/77/27/1080427727.db2.gz WWVGBNGQULCEIL-UHFFFAOYSA-N 1 0 401.551 2.061 20 0 HEADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000768223445 1080428451 /nfs/dbraw/zinc/42/84/51/1080428451.db2.gz JZXQHKKOZITFLS-UHFFFAOYSA-N 1 0 403.708 2.284 20 0 HEADRO C[C@H]1[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCN1C(=O)OC(C)(C)C ZINC000786161008 1080434549 /nfs/dbraw/zinc/43/45/49/1080434549.db2.gz HGSWKWOQLPQOFB-WMZOPIPTSA-N 1 0 417.554 2.095 20 0 HEADRO C[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768252850 1080441349 /nfs/dbraw/zinc/44/13/49/1080441349.db2.gz PRPRSXPZRNCOEA-HTAPYJJXSA-N 1 0 423.513 2.488 20 0 HEADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1 ZINC000768271794 1080453945 /nfs/dbraw/zinc/45/39/45/1080453945.db2.gz LSACFIGWNNGXME-HKUYNNGSSA-N 1 0 420.554 2.351 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)CC2)c1 ZINC000786189694 1080465992 /nfs/dbraw/zinc/46/59/92/1080465992.db2.gz ZVUOQKDRUYOIRR-DOTOQJQBSA-N 1 0 404.511 2.384 20 0 HEADRO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000786196969 1080467567 /nfs/dbraw/zinc/46/75/67/1080467567.db2.gz IUEDBNRBAQAYMU-LJQANCHMSA-N 1 0 424.505 2.286 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2ccc(Cn3ccnc3)cc2)n1 ZINC000786246743 1080485886 /nfs/dbraw/zinc/48/58/86/1080485886.db2.gz QMXZTSWPFLXPQL-UHFFFAOYSA-N 1 0 401.492 2.123 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000786257486 1080497227 /nfs/dbraw/zinc/49/72/27/1080497227.db2.gz PWIZYYGBXDCQSJ-HXUWFJFHSA-N 1 0 423.517 2.413 20 0 HEADRO O=C(NCCO)C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000768316101 1080502103 /nfs/dbraw/zinc/50/21/03/1080502103.db2.gz CLNARKBLQXKCNS-UHFFFAOYSA-N 1 0 419.529 2.314 20 0 HEADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C1(C)CCCC1 ZINC000786217811 1080503253 /nfs/dbraw/zinc/50/32/53/1080503253.db2.gz BBAHMMVDFIKCSD-YVLHZVERSA-N 1 0 405.564 2.396 20 0 HEADRO CCC[C@H]1CN(C(=O)Nc2cc(N3CCNC3=O)ccc2C)CC[N@@H+]1CCOC ZINC000786294891 1080538827 /nfs/dbraw/zinc/53/88/27/1080538827.db2.gz DTZJWGJQCWCYBR-SFHVURJKSA-N 1 0 403.527 2.489 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000786325646 1080562840 /nfs/dbraw/zinc/56/28/40/1080562840.db2.gz MSYSRRVEPFTTQY-RTWAWAEBSA-N 1 0 419.541 2.477 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000786334482 1080566830 /nfs/dbraw/zinc/56/68/30/1080566830.db2.gz QIWOERYXOPBVLM-SJLPKXTDSA-N 1 0 424.586 2.127 20 0 HEADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)CC[N@@H+]1C ZINC000786408254 1080589302 /nfs/dbraw/zinc/58/93/02/1080589302.db2.gz HHKZOHOJKQABAQ-IAGOWNOFSA-N 1 0 424.586 2.271 20 0 HEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)CC[N@@H+]1C ZINC000786408252 1080589426 /nfs/dbraw/zinc/58/94/26/1080589426.db2.gz HHKZOHOJKQABAQ-DLBZAZTESA-N 1 0 424.586 2.271 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000786419803 1080593663 /nfs/dbraw/zinc/59/36/63/1080593663.db2.gz JCMNPOHVHCDEDP-UWJYYQICSA-N 1 0 423.513 2.367 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2ncc(Br)c(Br)c2=O)C1 ZINC000768502120 1080595390 /nfs/dbraw/zinc/59/53/90/1080595390.db2.gz LDGVZZZNELYARU-ZYHUDNBSSA-N 1 0 420.149 2.142 20 0 HEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000768502137 1080595450 /nfs/dbraw/zinc/59/54/50/1080595450.db2.gz LNWAJTOWSYPOFD-MYDUQWEHSA-N 1 0 414.550 2.120 20 0 HEADRO CC[NH+](CC)CCOC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C ZINC000768509823 1080598599 /nfs/dbraw/zinc/59/85/99/1080598599.db2.gz LCDWVTNUAZTHRA-UHFFFAOYSA-N 1 0 407.536 2.299 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)cc2)CC1 ZINC000746581997 1080603029 /nfs/dbraw/zinc/60/30/29/1080603029.db2.gz MAFJRMKANUOMDI-UHFFFAOYSA-N 1 0 424.549 2.336 20 0 HEADRO CCC[N@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768539452 1080617688 /nfs/dbraw/zinc/61/76/88/1080617688.db2.gz LBFBPXOYYUKRGT-GOSISDBHSA-N 1 0 424.586 2.225 20 0 HEADRO C[C@H](OC(=O)c1ccnc(Cl)c1N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768564276 1080632906 /nfs/dbraw/zinc/63/29/06/1080632906.db2.gz NFVGXSYKTZXGGV-ZFWWWQNUSA-N 1 0 402.882 2.253 20 0 HEADRO O=C(COc1ccc2ccc(=O)oc2c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000768582873 1080664927 /nfs/dbraw/zinc/66/49/27/1080664927.db2.gz RSVRHUZUGXZVHK-RTBURBONSA-N 1 0 400.475 2.056 20 0 HEADRO Cc1ccc(NC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1NC(=O)CC[NH+](C)C ZINC000768583712 1080665530 /nfs/dbraw/zinc/66/55/30/1080665530.db2.gz UKBSNLFLTWHYFV-UHFFFAOYSA-N 1 0 413.507 2.308 20 0 HEADRO Cc1ccc(NC(=O)CNC(=O)OCC(F)(F)F)cc1NC(=O)CC[NH+](C)C ZINC000768583629 1080666532 /nfs/dbraw/zinc/66/65/32/1080666532.db2.gz SJOAJJHUWHRGBH-UHFFFAOYSA-N 1 0 404.389 2.112 20 0 HEADRO O=C(COC(=O)c1cc(O)cc(O)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000768594680 1080674606 /nfs/dbraw/zinc/67/46/06/1080674606.db2.gz XRTFXOZXWCRMFB-UHFFFAOYSA-N 1 0 402.472 2.442 20 0 HEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@H](O)c3ccccc3)CC2)cc1 ZINC000768643012 1080694473 /nfs/dbraw/zinc/69/44/73/1080694473.db2.gz CJHWJBWIOLAMND-JOCHJYFZSA-N 1 0 412.486 2.006 20 0 HEADRO CC[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000786605175 1080705154 /nfs/dbraw/zinc/70/51/54/1080705154.db2.gz POQGATRCQLNRDI-SFHVURJKSA-N 1 0 400.910 2.304 20 0 HEADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C2(C)OCCO2)C1)[NH+]1CCCCCC1 ZINC000786626254 1080718885 /nfs/dbraw/zinc/71/88/85/1080718885.db2.gz JCGMAFMNQDJTCG-RBUKOAKNSA-N 1 0 409.571 2.005 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCc1ccc(Cl)nc1)C1CC1 ZINC000786593400 1080731136 /nfs/dbraw/zinc/73/11/36/1080731136.db2.gz CEKWEVWAVPCICY-GOSISDBHSA-N 1 0 400.910 2.378 20 0 HEADRO O=C(Nc1cnn(-c2ccccc2Cl)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000768715681 1080732712 /nfs/dbraw/zinc/73/27/12/1080732712.db2.gz TUSZILBWIAOOBA-UHFFFAOYSA-N 1 0 410.865 2.208 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)CC(C)C ZINC000786650984 1080734095 /nfs/dbraw/zinc/73/40/95/1080734095.db2.gz QWLHPFIOVLLGGY-MRXNPFEDSA-N 1 0 415.538 2.167 20 0 HEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)CC(C)C ZINC000786649784 1080734200 /nfs/dbraw/zinc/73/42/00/1080734200.db2.gz MFKMMASINJTZLE-HZMVEIRTSA-N 1 0 401.642 2.355 20 0 HEADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000768720337 1080735894 /nfs/dbraw/zinc/73/58/94/1080735894.db2.gz VERDBWNYMSGGSZ-UHFFFAOYSA-N 1 0 419.913 2.081 20 0 HEADRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)cc1 ZINC000768685749 1080747036 /nfs/dbraw/zinc/74/70/36/1080747036.db2.gz GZLMNUSWXYHQBV-WMZOPIPTSA-N 1 0 421.538 2.429 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000768690444 1080748971 /nfs/dbraw/zinc/74/89/71/1080748971.db2.gz MFZLKNOZLOJLCH-IEBWSBKVSA-N 1 0 420.554 2.422 20 0 HEADRO C[C@@H]1[C@@H](C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000786633101 1080750772 /nfs/dbraw/zinc/75/07/72/1080750772.db2.gz UVUXSHRSKMJAOA-CJNGLKHVSA-N 1 0 404.511 2.431 20 0 HEADRO Cc1cccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c1 ZINC000768739309 1080762873 /nfs/dbraw/zinc/76/28/73/1080762873.db2.gz RVJWQCYGEUDBLU-QFIPXVFZSA-N 1 0 424.545 2.314 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000786712479 1080765757 /nfs/dbraw/zinc/76/57/57/1080765757.db2.gz HVDLGUCOVAUNCM-GOSISDBHSA-N 1 0 419.551 2.022 20 0 HEADRO CN(CCOC(C)(C)C)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000768753667 1080773950 /nfs/dbraw/zinc/77/39/50/1080773950.db2.gz WJMWIUCXHHKNIX-UHFFFAOYSA-N 1 0 404.555 2.429 20 0 HEADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(Br)nc2)cc1 ZINC000746600808 1080791707 /nfs/dbraw/zinc/79/17/07/1080791707.db2.gz GZFWHAYDJAYZJL-UHFFFAOYSA-N 1 0 405.296 2.066 20 0 HEADRO CN(CC(=O)NCCCN1CCC[N@H+](C)CC1)c1ccc(C(F)(F)F)cc1C=O ZINC000746602863 1080799292 /nfs/dbraw/zinc/79/92/92/1080799292.db2.gz IEZNWKXPIUFUER-UHFFFAOYSA-N 1 0 414.472 2.098 20 0 HEADRO CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC000768796808 1080802743 /nfs/dbraw/zinc/80/27/43/1080802743.db2.gz DUOGRPJLSJMQCN-UHFFFAOYSA-N 1 0 407.486 2.107 20 0 HEADRO O=C(NCCc1ccncc1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000786785288 1080821661 /nfs/dbraw/zinc/82/16/61/1080821661.db2.gz IPVBCTLTTCEZDN-BHIFYINESA-N 1 0 406.530 2.157 20 0 HEADRO O=C(c1ccc(NC2CCC([NH+]3CCCCC3)CC2)nc1)N1CCS(=O)(=O)CC1 ZINC000786788759 1080823694 /nfs/dbraw/zinc/82/36/94/1080823694.db2.gz JCDOERANVKMYHW-UHFFFAOYSA-N 1 0 420.579 2.161 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC3CC[NH+](C4CC4)CC3)[nH]n2)C1 ZINC000786797506 1080830925 /nfs/dbraw/zinc/83/09/25/1080830925.db2.gz VLIQMTOFKAPJLH-AWEZNQCLSA-N 1 0 403.527 2.491 20 0 HEADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786803477 1080835055 /nfs/dbraw/zinc/83/50/55/1080835055.db2.gz FSWKDXSWCPNSKM-AWEZNQCLSA-N 1 0 422.938 2.499 20 0 HEADRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786809435 1080838073 /nfs/dbraw/zinc/83/80/73/1080838073.db2.gz PLDNTLHPVFREDM-GOSISDBHSA-N 1 0 407.518 2.216 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000768902506 1080840685 /nfs/dbraw/zinc/84/06/85/1080840685.db2.gz VFDHSOYSEPLVIM-JKSUJKDBSA-N 1 0 400.976 2.265 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)CC1 ZINC001169997529 1080841463 /nfs/dbraw/zinc/84/14/63/1080841463.db2.gz AVOCKJAGVYNNPJ-JKSUJKDBSA-N 1 0 408.461 2.074 20 0 HEADRO C[C@@H](OC(=O)CC[N@@H+]1CCc2ccccc2C1)C(=O)NC(=O)NCc1ccccc1 ZINC000786815697 1080841543 /nfs/dbraw/zinc/84/15/43/1080841543.db2.gz SJWGLUIYSIVTNQ-QGZVFWFLSA-N 1 0 409.486 2.393 20 0 HEADRO C[C@H](OC(=O)CC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1sccc1C(N)=O ZINC000786822281 1080844938 /nfs/dbraw/zinc/84/49/38/1080844938.db2.gz VPXKVFCDZRAUCW-ZDUSSCGKSA-N 1 0 401.488 2.166 20 0 HEADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(=Cc3ccc(F)c(F)c3)CC1)C2=O ZINC000768906545 1080847658 /nfs/dbraw/zinc/84/76/58/1080847658.db2.gz HWMZVHGSPQWCKR-UHFFFAOYSA-N 1 0 404.461 2.418 20 0 HEADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1ccc(N2CCNC2=O)cc1 ZINC000786848056 1080849292 /nfs/dbraw/zinc/84/92/92/1080849292.db2.gz HAOFZUZEHSTENT-ZDUSSCGKSA-N 1 0 408.549 2.379 20 0 HEADRO O=c1c(Br)nn(C[N@@H+]2CCOC3(CCOCC3)CC2)c2ccccc12 ZINC000768910795 1080851392 /nfs/dbraw/zinc/85/13/92/1080851392.db2.gz BMTIPBOZELGEDW-UHFFFAOYSA-N 1 0 408.296 2.388 20 0 HEADRO CC(C)(C)OC(=O)NCCCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000768919517 1080857066 /nfs/dbraw/zinc/85/70/66/1080857066.db2.gz RZCPMUWWMRPVHO-OALUTQOASA-N 1 0 405.539 2.291 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000786878767 1080866819 /nfs/dbraw/zinc/86/68/19/1080866819.db2.gz ALMWYXRKIXNXJH-KRWDZBQOSA-N 1 0 400.523 2.208 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC(C)(C)c3ccncc3)cc2)CC1 ZINC000768991782 1080877748 /nfs/dbraw/zinc/87/77/48/1080877748.db2.gz FGAKFWUGFQHZCI-UHFFFAOYSA-N 1 0 409.534 2.256 20 0 HEADRO COCC[S@](=O)Cc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000768991698 1080877822 /nfs/dbraw/zinc/87/78/22/1080877822.db2.gz UPJSVVLKVBIRSN-SGHJWQDXSA-N 1 0 423.579 2.081 20 0 HEADRO C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1cccc(-n2cccn2)c1 ZINC000768993663 1080878601 /nfs/dbraw/zinc/87/86/01/1080878601.db2.gz ZGLFMXYQFKEUNU-UHFFFAOYSA-N 1 0 413.522 2.383 20 0 HEADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)OC3)CC1 ZINC000786908850 1080879628 /nfs/dbraw/zinc/87/96/28/1080879628.db2.gz BHKXFLRPWYBUBK-QGZVFWFLSA-N 1 0 424.563 2.239 20 0 HEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000768955382 1080881865 /nfs/dbraw/zinc/88/18/65/1080881865.db2.gz CIIHIZHKDYXXFQ-KSSFIOAISA-N 1 0 411.955 2.436 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000768955383 1080882178 /nfs/dbraw/zinc/88/21/78/1080882178.db2.gz CIIHIZHKDYXXFQ-RDTXWAMCSA-N 1 0 411.955 2.436 20 0 HEADRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000786880564 1080884020 /nfs/dbraw/zinc/88/40/20/1080884020.db2.gz KXNOIHLTOAXQBN-FQEVSTJZSA-N 1 0 401.507 2.412 20 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O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001109415395 1080897882 /nfs/dbraw/zinc/89/78/82/1080897882.db2.gz SBCKMQOCAQGYJX-MJCUULBUSA-N 1 0 403.567 2.316 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000786939651 1080898638 /nfs/dbraw/zinc/89/86/38/1080898638.db2.gz CUSNCVPJUBQXIH-INIZCTEOSA-N 1 0 410.559 2.281 20 0 HEADRO CCN1C(=O)c2ccc(C(=O)OCC[N@H+](C)Cc3ccc(F)cc3)cc2S1(=O)=O ZINC000769089859 1080899789 /nfs/dbraw/zinc/89/97/89/1080899789.db2.gz XZMMTMLWZKNDAE-UHFFFAOYSA-N 1 0 420.462 2.279 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC001169999222 1080899808 /nfs/dbraw/zinc/89/98/08/1080899808.db2.gz PXGSCSMLSILMGJ-MRXNPFEDSA-N 1 0 421.488 2.421 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC001169999221 1080899834 /nfs/dbraw/zinc/89/98/34/1080899834.db2.gz PXGSCSMLSILMGJ-INIZCTEOSA-N 1 0 421.488 2.421 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 ZINC001169999259 1080901660 /nfs/dbraw/zinc/90/16/60/1080901660.db2.gz QZVXKVUKTWUWAR-INIZCTEOSA-N 1 0 421.488 2.421 20 0 HEADRO CCCCN(C)c1cncc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)n1 ZINC001170066349 1080933080 /nfs/dbraw/zinc/93/30/80/1080933080.db2.gz MUASWUUGKQMHDH-UHFFFAOYSA-N 1 0 414.535 2.415 20 0 HEADRO Cc1cccc([C@H](O)CNC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000769105670 1080935685 /nfs/dbraw/zinc/93/56/85/1080935685.db2.gz OAUVUCZDXNRJQO-FGZHOGPDSA-N 1 0 424.545 2.225 20 0 HEADRO CN(C1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1)S(C)(=O)=O ZINC000769124571 1080944869 /nfs/dbraw/zinc/94/48/69/1080944869.db2.gz CHKNUTVCUJXIHN-UHFFFAOYSA-N 1 0 403.589 2.379 20 0 HEADRO COc1c(C)nc(C2CC2)nc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170066705 1080956756 /nfs/dbraw/zinc/95/67/56/1080956756.db2.gz PQXUFPOYQGKXNQ-UHFFFAOYSA-N 1 0 413.503 2.373 20 0 HEADRO CN(C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1)C(=O)OC(C)(C)C ZINC000769149683 1080969284 /nfs/dbraw/zinc/96/92/84/1080969284.db2.gz GFTPATYQVICLGQ-YTQUADARSA-N 1 0 424.586 2.263 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000769153475 1080972970 /nfs/dbraw/zinc/97/29/70/1080972970.db2.gz HLMBXHAHLVFESH-ZWKOTPCHSA-N 1 0 410.559 2.063 20 0 HEADRO CC(C)(C)OC(=O)NCC1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000769157502 1080975984 /nfs/dbraw/zinc/97/59/84/1080975984.db2.gz VVJXGDUASIKQEG-MOPGFXCFSA-N 1 0 424.586 2.311 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000769158116 1080976920 /nfs/dbraw/zinc/97/69/20/1080976920.db2.gz YIJQZAYUJYJYFF-UHOSZYNNSA-N 1 0 424.586 2.311 20 0 HEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000769160505 1080978935 /nfs/dbraw/zinc/97/89/35/1080978935.db2.gz JGFROBBVJPKOMF-CEXWTWQISA-N 1 0 424.586 2.405 20 0 HEADRO C[C@H](CNC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000769207520 1081002554 /nfs/dbraw/zinc/00/25/54/1081002554.db2.gz TUJMSUIKCKEMLU-YLJYHZDGSA-N 1 0 416.566 2.273 20 0 HEADRO CCc1ccc(CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000787108356 1081003556 /nfs/dbraw/zinc/00/35/56/1081003556.db2.gz PIDRVJFFJOHQTH-JOCHJYFZSA-N 1 0 413.562 2.500 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000787113570 1081005900 /nfs/dbraw/zinc/00/59/00/1081005900.db2.gz HJDHBJLOVYZABT-FGZHOGPDSA-N 1 0 413.562 2.370 20 0 HEADRO CCOc1cccc([C@@H](C)NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000787117669 1081006951 /nfs/dbraw/zinc/00/69/51/1081006951.db2.gz RYGJGPKKDVQTIW-OXQOHEQNSA-N 1 0 403.523 2.022 20 0 HEADRO C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCN1C(=O)OC(C)(C)C ZINC000787119522 1081007876 /nfs/dbraw/zinc/00/78/76/1081007876.db2.gz FRDXGJGWBFHWID-NSISKUIASA-N 1 0 417.550 2.167 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000787100633 1081012819 /nfs/dbraw/zinc/01/28/19/1081012819.db2.gz CKMPXHIUKAZPEA-PMACEKPBSA-N 1 0 403.498 2.249 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000746637806 1081013882 /nfs/dbraw/zinc/01/38/82/1081013882.db2.gz SSBKNODTYKANNX-RBUKOAKNSA-N 1 0 413.909 2.179 20 0 HEADRO O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787102992 1081014833 /nfs/dbraw/zinc/01/48/33/1081014833.db2.gz HZQNRLWMJGWATO-YYWHXJBOSA-N 1 0 417.525 2.338 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000787104976 1081016507 /nfs/dbraw/zinc/01/65/07/1081016507.db2.gz HAFXCUWXLYNOJW-NRFANRHFSA-N 1 0 421.582 2.086 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000787107126 1081018234 /nfs/dbraw/zinc/01/82/34/1081018234.db2.gz LKIJJLSYKUAUPT-NHCUHLMSSA-N 1 0 417.525 2.119 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)C1 ZINC000746647523 1081019855 /nfs/dbraw/zinc/01/98/55/1081019855.db2.gz INMRJEQGHQVQQS-HOTGVXAUSA-N 1 0 401.573 2.256 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1ncn(CCc2ccccn2)c1=S ZINC000746648508 1081020078 /nfs/dbraw/zinc/02/00/78/1081020078.db2.gz KGHQSCIVYPUXMC-QYZOEREBSA-N 1 0 402.568 2.193 20 0 HEADRO C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](c2ccco2)C1 ZINC000787135543 1081021992 /nfs/dbraw/zinc/02/19/92/1081021992.db2.gz ACNQVBVSXXKKFF-QRQLOZEOSA-N 1 0 403.523 2.339 20 0 HEADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCc2ccc(-c3ccccc3)cc2)CC1 ZINC000787138704 1081023800 /nfs/dbraw/zinc/02/38/00/1081023800.db2.gz WKYIFHDKYFLIPY-UHFFFAOYSA-N 1 0 422.573 2.155 20 0 HEADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000787138594 1081023846 /nfs/dbraw/zinc/02/38/46/1081023846.db2.gz NHYZLBBWKIEDIK-QFIPXVFZSA-N 1 0 421.545 2.102 20 0 HEADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc3ccccn3)CC1)CCC2 ZINC000787143348 1081026862 /nfs/dbraw/zinc/02/68/62/1081026862.db2.gz JGHMOAUXYLHEHJ-SFHVURJKSA-N 1 0 413.547 2.121 20 0 HEADRO C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000769275024 1081026811 /nfs/dbraw/zinc/02/68/11/1081026811.db2.gz HRKFWNKMOHZAGI-ICSRJNTNSA-N 1 0 403.523 2.405 20 0 HEADRO Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000769275844 1081027173 /nfs/dbraw/zinc/02/71/73/1081027173.db2.gz JVZKIKOWVONTCT-DXAMHKDYSA-N 1 0 410.522 2.083 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CSCCS2)CC1 ZINC000787143118 1081027213 /nfs/dbraw/zinc/02/72/13/1081027213.db2.gz CXBCOMADWCJDPF-SFHVURJKSA-N 1 0 407.605 2.040 20 0 HEADRO CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000769277979 1081028718 /nfs/dbraw/zinc/02/87/18/1081028718.db2.gz XDWXVVXGQDHMDK-INIZCTEOSA-N 1 0 412.527 2.336 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CN1c2cc(Br)ccc2C(=O)C1=O 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/nfs/dbraw/zinc/03/81/30/1081038130.db2.gz WYANWIKELBUOOX-MSOLQXFVSA-N 1 0 414.955 2.241 20 0 HEADRO O=C(CCC(=O)N1CCOc2ccccc21)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000769313535 1081039588 /nfs/dbraw/zinc/03/95/88/1081039588.db2.gz HHIRCNRYDPZFSH-UYAOXDASSA-N 1 0 415.534 2.076 20 0 HEADRO CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000769316074 1081039977 /nfs/dbraw/zinc/03/99/77/1081039977.db2.gz NBHQSBANCZVJDW-OALUTQOASA-N 1 0 412.527 2.117 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CN1C(=O)N[C@@](C)(c2cccc(Cl)c2)C1=O ZINC000746653953 1081041344 /nfs/dbraw/zinc/04/13/44/1081041344.db2.gz XUHYTCBGLBXNEY-IKVWTGGYSA-N 1 0 420.941 2.248 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000746649314 1081045459 /nfs/dbraw/zinc/04/54/59/1081045459.db2.gz WLBUHDKFVFZPAE-CQSZACIVSA-N 1 0 409.581 2.255 20 0 HEADRO CCN(CCCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000787192675 1081056785 /nfs/dbraw/zinc/05/67/85/1081056785.db2.gz MCHJTTQFWKYQFT-UHFFFAOYSA-N 1 0 424.586 2.273 20 0 HEADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000787191308 1081056829 /nfs/dbraw/zinc/05/68/29/1081056829.db2.gz DMUVHDGIVKSCEQ-OAQYLSRUSA-N 1 0 417.525 2.373 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000769383417 1081059386 /nfs/dbraw/zinc/05/93/86/1081059386.db2.gz IALHUJNWHNRLOR-GOSISDBHSA-N 1 0 420.529 2.463 20 0 HEADRO CN(C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCCCCC1 ZINC000787201077 1081060070 /nfs/dbraw/zinc/06/00/70/1081060070.db2.gz XKDSKLTUTLTJFY-UHFFFAOYSA-N 1 0 401.555 2.021 20 0 HEADRO C[N@@H+]1CCC[C@H](N2CCN(CN3C[C@H](c4cc(F)c(F)c(F)c4)CC3=O)CC2)C1 ZINC000787222231 1081077595 /nfs/dbraw/zinc/07/75/95/1081077595.db2.gz SIEUUJJJDIVNDM-SJORKVTESA-N 1 0 410.484 2.089 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(OC(C)C)c(OC)c2)[C@H](C)C1 ZINC000787234547 1081081966 /nfs/dbraw/zinc/08/19/66/1081081966.db2.gz OPISPJJDDJLGLX-AEFFLSMTSA-N 1 0 405.539 2.287 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000787234549 1081082012 /nfs/dbraw/zinc/08/20/12/1081082012.db2.gz OPISPJJDDJLGLX-FUHWJXTLSA-N 1 0 405.539 2.287 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)ccc1OC(C)C ZINC000787236031 1081083041 /nfs/dbraw/zinc/08/30/41/1081083041.db2.gz DAINGDNWKRUIHB-UHFFFAOYSA-N 1 0 403.523 2.232 20 0 HEADRO COC(=O)c1cccc(NC(=O)CN2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000787236576 1081083511 /nfs/dbraw/zinc/08/35/11/1081083511.db2.gz JDFPYJVCHJHYMA-AWEZNQCLSA-N 1 0 420.510 2.432 20 0 HEADRO CC(C)c1nnc2n1CCN(C(=O)C(=O)NCc1cccc(C[NH+]3CCCC3)c1)[C@@H]2C ZINC000787293980 1081095710 /nfs/dbraw/zinc/09/57/10/1081095710.db2.gz ZUUXKDLIBQSEHH-QGZVFWFLSA-N 1 0 424.549 2.217 20 0 HEADRO CCOC(=O)C1=C(CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)NC(=O)N[C@@H]1C ZINC000787299524 1081097314 /nfs/dbraw/zinc/09/73/14/1081097314.db2.gz INDASOWCZHGTKM-BRWVUGGUSA-N 1 0 414.550 2.251 20 0 HEADRO C[C@H]1CN(CCNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769501571 1081098825 /nfs/dbraw/zinc/09/88/25/1081098825.db2.gz BPXAQCFYNWQZIJ-WMLDXEAASA-N 1 0 402.461 2.328 20 0 HEADRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000769537337 1081113955 /nfs/dbraw/zinc/11/39/55/1081113955.db2.gz JCRVNGXUWZAGOC-RDJZCZTQSA-N 1 0 404.573 2.205 20 0 HEADRO C[NH+](C)C1CCN(S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000769633163 1081150230 /nfs/dbraw/zinc/15/02/30/1081150230.db2.gz KQJWBWDLONVLBM-UHFFFAOYSA-N 1 0 423.579 2.391 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)c(=O)[nH]c1=O ZINC000769638544 1081159424 /nfs/dbraw/zinc/15/94/24/1081159424.db2.gz IDRYKQKWUOGQDR-UHFFFAOYSA-N 1 0 414.572 2.072 20 0 HEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)C1 ZINC000769614342 1081171829 /nfs/dbraw/zinc/17/18/29/1081171829.db2.gz LLQLRNSMPMQDSQ-KSSFIOAISA-N 1 0 411.955 2.291 20 0 HEADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC(=O)NC3(CC[NH2+]CC3)C2)n1 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/nfs/dbraw/zinc/09/45/03/719094503.db2.gz LVDUZOGLLKTTQM-KNQAVFIVSA-N 1 0 420.561 2.017 20 0 HEADRO [NH3+]C1([C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C[C@@H]2CF)CC1 ZINC001164626910 719117094 /nfs/dbraw/zinc/11/70/94/719117094.db2.gz JSHXLBIBDHAUJO-RYUDHWBXSA-N 1 0 405.852 2.025 20 0 HEADRO COCCOc1cc2ncnc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c2cc1OCCOC ZINC001164634913 719168509 /nfs/dbraw/zinc/16/85/09/719168509.db2.gz JZWYEISKRSAZFG-HZPDHXFCSA-N 1 0 404.511 2.209 20 0 HEADRO COCCOc1cc2ncnc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2cc1OCCOC ZINC001164634909 719168837 /nfs/dbraw/zinc/16/88/37/719168837.db2.gz JZWYEISKRSAZFG-CVEARBPZSA-N 1 0 404.511 2.209 20 0 HEADRO O=C1CCCN1[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@H]2CCCO[C@H]21 ZINC001164654838 719304595 /nfs/dbraw/zinc/30/45/95/719304595.db2.gz RWRKPKZHQDXFTN-DNVFCKCGSA-N 1 0 414.550 2.162 20 0 HEADRO CC(C)n1nc(CN(C)C)c2c1CN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164651210 719317012 /nfs/dbraw/zinc/31/70/12/719317012.db2.gz IFNCTJGPYDRWBJ-UHFFFAOYSA-N 1 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COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC)nn1)CC2 ZINC001164709975 720099556 /nfs/dbraw/zinc/09/95/56/720099556.db2.gz DQKNQYYSWMZMON-SFHVURJKSA-N 1 0 411.506 2.166 20 0 HEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)C2 ZINC001164816151 720126890 /nfs/dbraw/zinc/12/68/90/720126890.db2.gz XUQLTHPUCVZGEZ-XCLFUZPHSA-N 1 0 408.905 2.302 20 0 HEADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c(OC)c1 ZINC001164813217 720135651 /nfs/dbraw/zinc/13/56/51/720135651.db2.gz PVKXIXMATNVLAH-PGRDOPGGSA-N 1 0 403.523 2.452 20 0 HEADRO Cn1nnc2c1CCN([C@@H](F)Oc1ccnc(Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716505 720174079 /nfs/dbraw/zinc/17/40/79/720174079.db2.gz FZNONISLOSZEJI-VQIMIIECSA-N 1 0 424.908 2.207 20 0 HEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)NC3CCCC3)nn1)C2 ZINC001164820058 720182145 /nfs/dbraw/zinc/18/21/45/720182145.db2.gz ZGDUDNHPDBHLBO-WZONZLPQSA-N 1 0 413.566 2.334 20 0 HEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)NC3CCCC3)nn1)C2 ZINC001164820053 720182680 /nfs/dbraw/zinc/18/26/80/720182680.db2.gz ZGDUDNHPDBHLBO-JPYJTQIMSA-N 1 0 413.566 2.334 20 0 HEADRO Cn1nnc2c1CCN(c1ncnc3cccc(F)c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717707 720184814 /nfs/dbraw/zinc/18/48/14/720184814.db2.gz LTNZNPPFVOKSLS-GOSISDBHSA-N 1 0 411.485 2.114 20 0 HEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)C2 ZINC001164810780 720200861 /nfs/dbraw/zinc/20/08/61/720200861.db2.gz CPKNANDVWAZCBD-FIKGOQFSSA-N 1 0 422.957 2.482 20 0 HEADRO CCNC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164810202 720204330 /nfs/dbraw/zinc/20/43/30/720204330.db2.gz AJYOOSRSCHPXHD-FOIQADDNSA-N 1 0 407.946 2.064 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)N1CCCC1)CCC2 ZINC001164813239 720208403 /nfs/dbraw/zinc/20/84/03/720208403.db2.gz NUXNQGLBIYEBBP-UHFFFAOYSA-N 1 0 424.549 2.125 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3cc[nH]c31)CCC2 ZINC001164810279 720209491 /nfs/dbraw/zinc/20/94/91/720209491.db2.gz AYFIYNARNYXAEF-UHFFFAOYSA-N 1 0 401.902 2.419 20 0 HEADRO COC(=O)c1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164815200 720212206 /nfs/dbraw/zinc/21/22/06/720212206.db2.gz WXBLNNYBUSGOTM-UHFFFAOYSA-N 1 0 419.913 2.329 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3ncccc31)CCC2 ZINC001164815165 720215067 /nfs/dbraw/zinc/21/50/67/720215067.db2.gz WPJUKZULIXGGDB-UHFFFAOYSA-N 1 0 413.913 2.485 20 0 HEADRO COCc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(SC)n1 ZINC001164812098 720221626 /nfs/dbraw/zinc/22/16/26/720221626.db2.gz DLDMRFARXRWOOP-UHFFFAOYSA-N 1 0 418.567 2.152 20 0 HEADRO CCOC(=O)c1ccc(C)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164817714 720285959 /nfs/dbraw/zinc/28/59/59/720285959.db2.gz FNUXTZYWRYAQDQ-PMACEKPBSA-N 1 0 414.550 2.478 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(N3CCCCC3)nn2)CC1 ZINC001164818487 720287629 /nfs/dbraw/zinc/28/76/29/720287629.db2.gz LVMWEUKNMUCYEC-UXHICEINSA-N 1 0 412.582 2.378 20 0 HEADRO COC(=O)c1ccc(Cl)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164820520 720288131 /nfs/dbraw/zinc/28/81/31/720288131.db2.gz VWQDPPJWIJNGAN-SJORKVTESA-N 1 0 420.941 2.433 20 0 HEADRO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825129 720289648 /nfs/dbraw/zinc/28/96/48/720289648.db2.gz SLYJGRWOLHMCBN-IAGOWNOFSA-N 1 0 420.941 2.433 20 0 HEADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C)c1 ZINC001164825337 720307507 /nfs/dbraw/zinc/30/75/07/720307507.db2.gz TVCMBOVHCYIYEQ-VQTJNVASSA-N 1 0 414.550 2.478 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc3c2C(=O)OC3(C)C)CC1 ZINC001164821578 720312411 /nfs/dbraw/zinc/31/24/11/720312411.db2.gz KWQQRNIAWHOAGC-QZTJIDSGSA-N 1 0 412.534 2.399 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc3c2C(=O)OC3(C)C)CC1 ZINC001164821577 720312900 /nfs/dbraw/zinc/31/29/00/720312900.db2.gz KWQQRNIAWHOAGC-MSOLQXFVSA-N 1 0 412.534 2.399 20 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C[C@@H]1C[C@@H](N(C)C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000745615477 1078568105 /nfs/dbraw/zinc/56/81/05/1078568105.db2.gz CVVKARRWYRQTDT-MSOLQXFVSA-N 1 0 411.591 2.053 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3cc(F)ccc3O)cc2)CC1 ZINC000745734951 1078621138 /nfs/dbraw/zinc/62/11/38/1078621138.db2.gz ZQQPNJIWCKRKPN-UHFFFAOYSA-N 1 0 401.438 2.469 20 0 HEADRO CCOC(=O)C1=C(C[NH2+][C@](C)(CC)COc2ncccc2Cl)NC(=O)N[C@H]1C ZINC000769917499 1078633714 /nfs/dbraw/zinc/63/37/14/1078633714.db2.gz DMNSWPDJBZIDKG-HXPMCKFVSA-N 1 0 410.902 2.391 20 0 HEADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](CC3CCC3)C(C)C)C2=O)cc1 ZINC000769919517 1078634808 /nfs/dbraw/zinc/63/48/08/1078634808.db2.gz GHLGOQVXOYYKEA-NRFANRHFSA-N 1 0 402.495 2.004 20 0 HEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cn(C)c(Cl)n1)c1cccc(OC)c1 ZINC000769886653 1078643416 /nfs/dbraw/zinc/64/34/16/1078643416.db2.gz LBYJOMGKKQWXTQ-OAHLLOKOSA-N 1 0 400.932 2.444 20 0 HEADRO CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000745803813 1078653926 /nfs/dbraw/zinc/65/39/26/1078653926.db2.gz WMSWHNSWWBMPQK-KGLIPLIRSA-N 1 0 413.421 2.021 20 0 HEADRO C[C@H](CNC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000769965053 1078656635 /nfs/dbraw/zinc/65/66/35/1078656635.db2.gz MKYAJTABHGNRPC-UIFIKXQLSA-N 1 0 411.550 2.322 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000769979125 1078672261 /nfs/dbraw/zinc/67/22/61/1078672261.db2.gz ZBHBJCOHNSJRFS-QUCCMNQESA-N 1 0 415.538 2.016 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000745863170 1078678174 /nfs/dbraw/zinc/67/81/74/1078678174.db2.gz RXQIEWAWGWVNQI-WIYYLYMNSA-N 1 0 406.571 2.080 20 0 HEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)CC1 ZINC000745888313 1078678814 /nfs/dbraw/zinc/67/88/14/1078678814.db2.gz VIRPHISPKSXPQT-HXUWFJFHSA-N 1 0 415.582 2.159 20 0 HEADRO C[C@H](CNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl)C[NH+]1CCN(C)CC1 ZINC000745862963 1078678916 /nfs/dbraw/zinc/67/89/16/1078678916.db2.gz QRQUNRKUTCLCES-CJNGLKHVSA-N 1 0 403.354 2.210 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCCN(c4ccc(C)cc4)C3=O)CC2)c1 ZINC000745884193 1078685788 /nfs/dbraw/zinc/68/57/88/1078685788.db2.gz HWWUGBLCAVWHGP-FQEVSTJZSA-N 1 0 423.517 2.426 20 0 HEADRO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000770015874 1078688069 /nfs/dbraw/zinc/68/80/69/1078688069.db2.gz KILUTTPWPRLUSR-QXAKKESOSA-N 1 0 403.502 2.317 20 0 HEADRO C[C@@](O)(CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1cccs1 ZINC000770017843 1078690056 /nfs/dbraw/zinc/69/00/56/1078690056.db2.gz YMEKNEJQXTZVNH-OAQYLSRUSA-N 1 0 401.532 2.349 20 0 HEADRO CC(C)(C)OC(=O)NC(C)(C)CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000745928606 1078700279 /nfs/dbraw/zinc/70/02/79/1078700279.db2.gz SHIOIXBUHZFCKL-UHFFFAOYSA-N 1 0 412.575 2.434 20 0 HEADRO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000770046456 1078703438 /nfs/dbraw/zinc/70/34/38/1078703438.db2.gz GSFVYAQIPSNVGR-HNAYVOBHSA-N 1 0 405.520 2.485 20 0 HEADRO CCN(CC1CC[NH+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)CC1)C(=O)OC(C)(C)C ZINC000745987300 1078720185 /nfs/dbraw/zinc/72/01/85/1078720185.db2.gz BJOMXDJHOGAFKQ-LJQANCHMSA-N 1 0 424.586 2.083 20 0 HEADRO C[NH+](C)[C@@H]1Cc2ccccc2N(CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)C1 ZINC000766337913 1078725363 /nfs/dbraw/zinc/72/53/63/1078725363.db2.gz GURKOTZMACEKPC-HYBUGGRVSA-N 1 0 404.514 2.416 20 0 HEADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000745998280 1078725891 /nfs/dbraw/zinc/72/58/91/1078725891.db2.gz NZXHHGDPDCNIDD-JFIYKMOQSA-N 1 0 408.518 2.360 20 0 HEADRO O=C(CNC(=O)OCc1ccccc1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000746011638 1078731662 /nfs/dbraw/zinc/73/16/62/1078731662.db2.gz OAPUMAAXHLNBSY-UHFFFAOYSA-N 1 0 411.502 2.186 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCN(C(=O)OCc4ccccc4)C3)cn2)CC1 ZINC000770135131 1078744046 /nfs/dbraw/zinc/74/40/46/1078744046.db2.gz UHLAGSVSYHLHKA-IBGZPJMESA-N 1 0 423.517 2.431 20 0 HEADRO COC(=O)c1c2c(sc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)CCCC2 ZINC000746037462 1078738904 /nfs/dbraw/zinc/73/89/04/1078738904.db2.gz FFEKSNOQWDDDNJ-CYBMUJFWSA-N 1 0 407.536 2.343 20 0 HEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)C1 ZINC000746046443 1078756072 /nfs/dbraw/zinc/75/60/72/1078756072.db2.gz PGVBHDRXKJKBGW-QGZVFWFLSA-N 1 0 424.549 2.458 20 0 HEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1N1CCSCC1 ZINC000746040788 1078746668 /nfs/dbraw/zinc/74/66/68/1078746668.db2.gz GUJMZWHVJYWQOA-MSOLQXFVSA-N 1 0 402.564 2.182 20 0 HEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)C1 ZINC000746045798 1078754810 /nfs/dbraw/zinc/75/48/10/1078754810.db2.gz KBKGZKUKEBUZGX-OAHLLOKOSA-N 1 0 416.522 2.381 20 0 HEADRO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000770171662 1078766631 /nfs/dbraw/zinc/76/66/31/1078766631.db2.gz CLFGMFDXLINDQT-QRQLOZEOSA-N 1 0 420.554 2.392 20 0 HEADRO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000770233004 1078777360 /nfs/dbraw/zinc/77/73/60/1078777360.db2.gz JLSNIGFCSSDALO-UHFFFAOYSA-N 1 0 423.304 2.139 20 0 HEADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000746113439 1078792714 /nfs/dbraw/zinc/79/27/14/1078792714.db2.gz JQLATRVOQSYYPA-IBGZPJMESA-N 1 0 422.529 2.274 20 0 HEADRO CCC[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)CC(C)C ZINC000746145907 1078805502 /nfs/dbraw/zinc/80/55/02/1078805502.db2.gz VGXYCYBIVWFSKE-YBEGLDIGSA-N 1 0 407.580 2.499 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000770255732 1078814371 /nfs/dbraw/zinc/81/43/71/1078814371.db2.gz FIRXAYNWFHPZDR-UHFFFAOYSA-N 1 0 423.602 2.103 20 0 HEADRO C[C@@H](CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000746162090 1078812936 /nfs/dbraw/zinc/81/29/36/1078812936.db2.gz WKKXWFWRUMLJDR-HKUYNNGSSA-N 1 0 404.555 2.395 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)CN3C(=O)NC(=O)C3(C)C)cc2Cl)CC1 ZINC000746160135 1078812992 /nfs/dbraw/zinc/81/29/92/1078812992.db2.gz WVQGVQLUEXWEHO-UHFFFAOYSA-N 1 0 421.929 2.141 20 0 HEADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000746224821 1078826222 /nfs/dbraw/zinc/82/62/22/1078826222.db2.gz JPDMIFKCAFMGFG-DHIUTWEWSA-N 1 0 421.541 2.217 20 0 HEADRO CC(C)(C)OC(=O)N(CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000746207652 1078818511 /nfs/dbraw/zinc/81/85/11/1078818511.db2.gz DGRRYXJZTISMEO-QFIPXVFZSA-N 1 0 403.523 2.139 20 0 HEADRO C[NH+](C)CCN1C[C@H](C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)CC1=O ZINC000746208874 1078818578 /nfs/dbraw/zinc/81/85/78/1078818578.db2.gz TVBIRBCPEZXVLE-OAQYLSRUSA-N 1 0 423.513 2.070 20 0 HEADRO O=C(NCCC[NH+]1CCCCC1)C1CCN(C(=O)c2csc3cncn32)CC1 ZINC000746259862 1078826902 /nfs/dbraw/zinc/82/69/02/1078826902.db2.gz RACCKBLGOXFRHU-UHFFFAOYSA-N 1 0 403.552 2.240 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000746220581 1078825261 /nfs/dbraw/zinc/82/52/61/1078825261.db2.gz WZDPBVAEPHUZHM-HSALFYBXSA-N 1 0 417.550 2.215 20 0 HEADRO O=C(CCn1nnc2ccccc2c1=O)O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000770359517 1078830534 /nfs/dbraw/zinc/83/05/34/1078830534.db2.gz JLIXNDKWFBKXCY-HXUWFJFHSA-N 1 0 418.497 2.488 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000746249292 1078832072 /nfs/dbraw/zinc/83/20/72/1078832072.db2.gz WXOYEQIFSMKSAQ-QGZVFWFLSA-N 1 0 404.555 2.419 20 0 HEADRO Cc1cccc(C2N=NC(=S)N2CCC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000770369411 1078832604 /nfs/dbraw/zinc/83/26/04/1078832604.db2.gz NPSYNQUSXZJEHU-SFHVURJKSA-N 1 0 417.579 2.285 20 0 HEADRO Cn1nccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770381279 1078834881 /nfs/dbraw/zinc/83/48/81/1078834881.db2.gz KCVSEQIGXYHALV-WMZOPIPTSA-N 1 0 405.543 2.148 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000770336973 1078835578 /nfs/dbraw/zinc/83/55/78/1078835578.db2.gz PHMZIIDSZFCWQA-UGKGYDQZSA-N 1 0 412.534 2.367 20 0 HEADRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000770337649 1078836119 /nfs/dbraw/zinc/83/61/19/1078836119.db2.gz TWZITQKTQVFOOM-DENIHFKCSA-N 1 0 412.534 2.271 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000746267641 1078839152 /nfs/dbraw/zinc/83/91/52/1078839152.db2.gz RDBAOEWDOIWMSV-GOSISDBHSA-N 1 0 417.554 2.109 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000746289318 1078837465 /nfs/dbraw/zinc/83/74/65/1078837465.db2.gz BBWJGVRCJACSHA-SFHVURJKSA-N 1 0 417.554 2.013 20 0 HEADRO CC(C)[C@H](CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)NC(=O)OC(C)(C)C ZINC000746272092 1078840322 /nfs/dbraw/zinc/84/03/22/1078840322.db2.gz JJPWJBJIANERCY-SFHVURJKSA-N 1 0 419.570 2.259 20 0 HEADRO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)cc1 ZINC000770395618 1078841907 /nfs/dbraw/zinc/84/19/07/1078841907.db2.gz TUKSTYWZEUDOBQ-UHFFFAOYSA-N 1 0 412.519 2.165 20 0 HEADRO C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCN1C(=O)OC(C)(C)C ZINC000746301816 1078847421 /nfs/dbraw/zinc/84/74/21/1078847421.db2.gz HSMPZYGMWFXUPI-GOSISDBHSA-N 1 0 417.554 2.062 20 0 HEADRO CN1CCC(CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)([NH+]2CCCCC2)CC1 ZINC000746314494 1078854578 /nfs/dbraw/zinc/85/45/78/1078854578.db2.gz DBJVIMQNIDPUCD-UHFFFAOYSA-N 1 0 408.587 2.310 20 0 HEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000746317314 1078856663 /nfs/dbraw/zinc/85/66/63/1078856663.db2.gz VECDSBUETSPKKS-OAHLLOKOSA-N 1 0 424.498 2.129 20 0 HEADRO CN1CC[NH+](CCCCNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000746330185 1078861147 /nfs/dbraw/zinc/86/11/47/1078861147.db2.gz GQKXSKZHUBCSFN-LEWJYISDSA-N 1 0 406.546 2.451 20 0 HEADRO CC(C)(C)OC(=O)NC(C)(C)CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000746331048 1078861860 /nfs/dbraw/zinc/86/18/60/1078861860.db2.gz DLPGNNJKDJLIMK-UHFFFAOYSA-N 1 0 405.543 2.013 20 0 HEADRO O=C(OCc1ccccc1)N1CC[C@@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000770512109 1078872127 /nfs/dbraw/zinc/87/21/27/1078872127.db2.gz IQMYVSHEUJXRTO-OAQYLSRUSA-N 1 0 415.534 2.216 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000770465950 1078865883 /nfs/dbraw/zinc/86/58/83/1078865883.db2.gz WVMXLSJPBLIAQS-IBGZPJMESA-N 1 0 418.538 2.234 20 0 HEADRO COc1cccc(/C=C(/C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)n2nnnc2C)c1 ZINC000746348282 1078868781 /nfs/dbraw/zinc/86/87/81/1078868781.db2.gz SRWYBXGCOBAJMD-GFIJVFARSA-N 1 0 410.522 2.179 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)cc2)CC1 ZINC000770558824 1078880827 /nfs/dbraw/zinc/88/08/27/1078880827.db2.gz LNCHYMKQTVTRPL-LJQANCHMSA-N 1 0 424.611 2.367 20 0 HEADRO Cn1cc(C[C@H]2CC(=O)N(C[NH2+]C3(c4ccc(Cl)cc4)CCOCC3)C2=O)cn1 ZINC000746376240 1078882508 /nfs/dbraw/zinc/88/25/08/1078882508.db2.gz ICPNTOOJCOLGCC-INIZCTEOSA-N 1 0 416.909 2.244 20 0 HEADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)n1 ZINC000746379360 1078884956 /nfs/dbraw/zinc/88/49/56/1078884956.db2.gz KOCCBKOPPDIUHU-UHFFFAOYSA-N 1 0 408.506 2.271 20 0 HEADRO CC(C)CN1N=C(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CCC1=O ZINC000766345887 1078875953 /nfs/dbraw/zinc/87/59/53/1078875953.db2.gz FRHDIGFROAHGFS-NRFANRHFSA-N 1 0 413.566 2.116 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000770590460 1078899511 /nfs/dbraw/zinc/89/95/11/1078899511.db2.gz NHJQGHVHXIEJPH-CJNGLKHVSA-N 1 0 403.354 2.352 20 0 HEADRO CC(C)[C@@H](CNC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)[NH+]1CCN(C)CC1 ZINC000770564567 1078905227 /nfs/dbraw/zinc/90/52/27/1078905227.db2.gz JZWHREPZNRGBNR-LEWJYISDSA-N 1 0 416.566 2.033 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000746414733 1078913840 /nfs/dbraw/zinc/91/38/40/1078913840.db2.gz HNHZKVRZMVCJDT-IBGZPJMESA-N 1 0 423.602 2.057 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCc2ccc(O)cc2)C[C@H]1C(=O)N1CCSC1 ZINC001170015895 1078924271 /nfs/dbraw/zinc/92/42/71/1078924271.db2.gz WWQUNBLIGWYAPE-AEFFLSMTSA-N 1 0 421.563 2.435 20 0 HEADRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)ccc1=O ZINC000770676126 1078929406 /nfs/dbraw/zinc/92/94/06/1078929406.db2.gz SMZSHYZYRMXRKS-GOSISDBHSA-N 1 0 412.490 2.007 20 0 HEADRO CCC1(C[NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CCOCC1 ZINC000766381786 1078931821 /nfs/dbraw/zinc/93/18/21/1078931821.db2.gz HFHHIAMVZMVTEG-OAHLLOKOSA-N 1 0 418.581 2.270 20 0 HEADRO CCC[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)CC[N@@H+]1CCOC ZINC000766372966 1078938644 /nfs/dbraw/zinc/93/86/44/1078938644.db2.gz DSSDWTNRHFXERL-WIYYLYMNSA-N 1 0 422.957 2.497 20 0 HEADRO CCC[C@H]1CN(Cn2nc(-c3cnccn3)n(CC)c2=S)CC[N@@H+]1CCOC ZINC000766373290 1078941215 /nfs/dbraw/zinc/94/12/15/1078941215.db2.gz GDXOULXMEQNREI-INIZCTEOSA-N 1 0 405.572 2.281 20 0 HEADRO C[C@@H]1Cc2ccc(Br)cc2CN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000766390978 1078946772 /nfs/dbraw/zinc/94/67/72/1078946772.db2.gz TUAJGNRHMACBEI-CYBMUJFWSA-N 1 0 421.339 2.169 20 0 HEADRO CC[C@H]([NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C1CCOCC1 ZINC000766390517 1078947262 /nfs/dbraw/zinc/94/72/62/1078947262.db2.gz XEVCFULUJNEFAZ-KDOFPFPSSA-N 1 0 418.581 2.268 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000770689063 1078957901 /nfs/dbraw/zinc/95/79/01/1078957901.db2.gz NCDLBZVXMWLBJZ-NSHDSACASA-N 1 0 415.002 2.157 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)CCCOC1 ZINC000770699918 1078967473 /nfs/dbraw/zinc/96/74/73/1078967473.db2.gz OWTLGVXCCNAWAF-SCLBCKFNSA-N 1 0 413.312 2.328 20 0 HEADRO COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000746450834 1078975111 /nfs/dbraw/zinc/97/51/11/1078975111.db2.gz FXRSIIFZLJBOMM-SFHVURJKSA-N 1 0 418.538 2.308 20 0 HEADRO CCOc1ccc(-n2nnc3cnc(-n4cnc(C)c4CSCC[NH3+])nc32)cc1 ZINC001168788731 1078978717 /nfs/dbraw/zinc/97/87/17/1078978717.db2.gz WXJBZRQUHLUFDN-UHFFFAOYSA-N 1 0 410.507 2.295 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)CCCOC1 ZINC000770710660 1078979191 /nfs/dbraw/zinc/97/91/91/1078979191.db2.gz TUDNBICLPWOKOG-GCJKJVERSA-N 1 0 420.506 2.069 20 0 HEADRO Cc1nc(-c2ccccc2NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)no1 ZINC000746454102 1078983474 /nfs/dbraw/zinc/98/34/74/1078983474.db2.gz PWYOUUQCWYWICN-KXBFYZLASA-N 1 0 409.490 2.459 20 0 HEADRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cccc1N1CCOC1=O ZINC000746454891 1078985427 /nfs/dbraw/zinc/98/54/27/1078985427.db2.gz RGEBPGKZWNNKAZ-QGZVFWFLSA-N 1 0 416.522 2.374 20 0 HEADRO CN(CC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(C(F)(F)F)cc1C=O ZINC000746447815 1078986004 /nfs/dbraw/zinc/98/60/04/1078986004.db2.gz FOKLCSYGGPVNLA-UHFFFAOYSA-N 1 0 401.429 2.181 20 0 HEADRO COc1cccc(NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1F ZINC000770765800 1078986066 /nfs/dbraw/zinc/98/60/66/1078986066.db2.gz PPZVJUPLYLPRFV-KRWDZBQOSA-N 1 0 415.465 2.046 20 0 HEADRO COC(=O)/C=C/c1ccnc(-n2cnc(C)c2CSCC[NH3+])c1C(OC)OC ZINC001168786254 1078990759 /nfs/dbraw/zinc/99/07/59/1078990759.db2.gz LLTACNAOKMRMIU-AATRIKPKSA-N 1 0 406.508 2.245 20 0 HEADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000804278776 1078994589 /nfs/dbraw/zinc/99/45/89/1078994589.db2.gz JMEJEHVIFMHQGE-TZIWHRDSSA-N 1 0 407.514 2.135 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[C@H](O)c3ccccc3)c2)CC1 ZINC000770743883 1079001452 /nfs/dbraw/zinc/00/14/52/1079001452.db2.gz MTVQPZUOFHQUIE-NRFANRHFSA-N 1 0 410.518 2.007 20 0 HEADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000746454377 1079004943 /nfs/dbraw/zinc/00/49/43/1079004943.db2.gz OZXAGWJPNZATQD-WOJBJXKFSA-N 1 0 423.448 2.460 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)[C@H](C)C1 ZINC000746470487 1079021057 /nfs/dbraw/zinc/02/10/57/1079021057.db2.gz GUAGHUFGFXRCSS-UKRRQHHQSA-N 1 0 403.495 2.284 20 0 HEADRO COCOc1ccc(OC)cc1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766469007 1079020187 /nfs/dbraw/zinc/02/01/87/1079020187.db2.gz MRHIESFAGVGMBR-UHFFFAOYSA-N 1 0 412.430 2.082 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)C1 ZINC000770797017 1079021594 /nfs/dbraw/zinc/02/15/94/1079021594.db2.gz YQQWRHSFXCAHHH-NVXWUHKLSA-N 1 0 416.522 2.332 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1SC(F)F ZINC000770800565 1079022996 /nfs/dbraw/zinc/02/29/96/1079022996.db2.gz NAPRNFUMFPCJSW-CYBMUJFWSA-N 1 0 400.495 2.082 20 0 HEADRO Cn1nnc2cc(C[NH2+]CCOc3ccc(S(=O)(=O)C(F)(F)F)cc3)ccc21 ZINC000766490034 1079029140 /nfs/dbraw/zinc/02/91/40/1079029140.db2.gz YLXBXFWCZYLGAX-UHFFFAOYSA-N 1 0 414.409 2.430 20 0 HEADRO COc1ncccc1C[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170018203 1079030235 /nfs/dbraw/zinc/03/02/35/1079030235.db2.gz GOCXTYVMSYWYTR-CVEARBPZSA-N 1 0 422.551 2.091 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cc[nH]c(=O)c3Br)cc2)CC1 ZINC000770823769 1079033020 /nfs/dbraw/zinc/03/30/20/1079033020.db2.gz PBKZIUOBRJZNFP-UHFFFAOYSA-N 1 0 405.296 2.483 20 0 HEADRO COCOc1ccc(OC)cc1C[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000766486722 1079036643 /nfs/dbraw/zinc/03/66/43/1079036643.db2.gz JIXAEPRSYLMLGY-UHFFFAOYSA-N 1 0 400.522 2.116 20 0 HEADRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2Cn3nnc(-c4cccnc4)c3CO2)CN1C(=O)OC(C)(C)C ZINC001168807901 1079044004 /nfs/dbraw/zinc/04/40/04/1079044004.db2.gz PLQZPIWYSJPHGM-OIISXLGYSA-N 1 0 414.510 2.226 20 0 HEADRO CCOC(=O)C1=C(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)NC(=O)N[C@@H]1C ZINC000746481861 1079039424 /nfs/dbraw/zinc/03/94/24/1079039424.db2.gz ILVFHOUPODIQNU-DNVCBOLYSA-N 1 0 401.507 2.267 20 0 HEADRO Cc1cccc(CN2CCN(C(=O)C[NH+]3CCC(N(C)CC(F)F)CC3)CC2)c1 ZINC000746483200 1079040717 /nfs/dbraw/zinc/04/07/17/1079040717.db2.gz VEAVCVDEYPNLBK-UHFFFAOYSA-N 1 0 408.537 2.301 20 0 HEADRO C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3ccccn3)CC2)CN1C(=O)OC(C)(C)C ZINC001168822667 1079046522 /nfs/dbraw/zinc/04/65/22/1079046522.db2.gz IRHVSUYWDOLCEP-WBVHZDCISA-N 1 0 424.567 2.222 20 0 HEADRO C[C@H]1C[C@@H](N(C[C@@H]2OC[C@@H]3C[NH2+]CC[C@H]23)c2ncccn2)CN1C(=O)OC(C)(C)C ZINC001168858741 1079055153 /nfs/dbraw/zinc/05/51/53/1079055153.db2.gz QSCNSTARRBESEV-OYSTVDSJSA-N 1 0 417.554 2.305 20 0 HEADRO C[C@H]1C[C@@H](n2nc(C(=O)N3CCCC3)c3c2C[NH2+]CC3)CN1C(=O)OC(C)(C)C ZINC001168858814 1079055252 /nfs/dbraw/zinc/05/52/52/1079055252.db2.gz RHYSJKMCTVLSRY-LSDHHAIUSA-N 1 0 403.527 2.335 20 0 HEADRO CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1 ZINC001168819363 1079052207 /nfs/dbraw/zinc/05/22/07/1079052207.db2.gz FDWKIEZIBFQCFY-IFXJQAMLSA-N 1 0 413.453 2.018 20 0 HEADRO 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 ZINC001168861322 1079056083 /nfs/dbraw/zinc/05/60/83/1079056083.db2.gz XWMSLRLNHZRLDD-QLDGJZPUSA-N 1 0 409.571 2.495 20 0 HEADRO 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 ZINC001168861846 1079056911 /nfs/dbraw/zinc/05/69/11/1079056911.db2.gz AMYCHELKSFRXBU-LFRCEIEQSA-N 1 0 420.510 2.034 20 0 HEADRO C[C@@H]1C[C@H](n2nc(C(=O)NC3CCC3)c3c2CC[NH2+]C3)CN1C(=O)OC(C)(C)C ZINC001168868395 1079058587 /nfs/dbraw/zinc/05/85/87/1079058587.db2.gz SOCUYGVPAJQWTK-HIFRSBDPSA-N 1 0 403.527 2.382 20 0 HEADRO C[C@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)CN1C(=O)OC(C)(C)C ZINC001168869810 1079059406 /nfs/dbraw/zinc/05/94/06/1079059406.db2.gz XWJNSVMERCNYQY-BIZBXSGISA-N 1 0 410.559 2.279 20 0 HEADRO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168844818 1079060232 /nfs/dbraw/zinc/06/02/32/1079060232.db2.gz DSCVBWAJAZRVNK-RHQZKXFESA-N 1 0 407.555 2.486 20 0 HEADRO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC001168848326 1079060633 /nfs/dbraw/zinc/06/06/33/1079060633.db2.gz LXHFTAKPSVEUOH-HNNXBMFYSA-N 1 0 402.495 2.355 20 0 HEADRO C[C@H]([NH2+]C[C@H]1CSCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000766534137 1079070059 /nfs/dbraw/zinc/07/00/59/1079070059.db2.gz HDPHRKPGFGSZSW-HOCLYGCPSA-N 1 0 402.607 2.207 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]CCNC(=O)c3ccc(Cl)cn3)CC2=O)cc1 ZINC001168904302 1079071245 /nfs/dbraw/zinc/07/12/45/1079071245.db2.gz KNVQCZCSWFJEPT-KRWDZBQOSA-N 1 0 416.909 2.254 20 0 HEADRO CN1CC[NH+](C2CCN(C(=O)NCc3nc(-c4ccncc4)cs3)CC2)CC1 ZINC001687510243 1079073558 /nfs/dbraw/zinc/07/35/58/1079073558.db2.gz ZFWMSRFBQYCNEW-UHFFFAOYSA-N 1 0 400.552 2.127 20 0 HEADRO C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000770911099 1079074946 /nfs/dbraw/zinc/07/49/46/1079074946.db2.gz DIMYURIYFHANSV-QFBILLFUSA-N 1 0 417.531 2.399 20 0 HEADRO C[NH+]1C[C@]2(C)CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@@]2(C)C1 ZINC001168932393 1079077694 /nfs/dbraw/zinc/07/76/94/1079077694.db2.gz UHFWHHBQHKOWMR-KFKAGJAMSA-N 1 0 411.593 2.092 20 0 HEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C[C@@]2(C)C1 ZINC001168932551 1079078066 /nfs/dbraw/zinc/07/80/66/1079078066.db2.gz VIJSTWORLJYZRC-HBGVWJBISA-N 1 0 418.925 2.345 20 0 HEADRO C[C@@H]1C[C@@H](N(C2CC[NH2+]CC2)S(=O)(=O)c2ccccn2)CN1C(=O)OC(C)(C)C ZINC001168883629 1079067884 /nfs/dbraw/zinc/06/78/84/1079067884.db2.gz RIIOTWZPFMVEOG-NVXWUHKLSA-N 1 0 424.567 2.222 20 0 HEADRO CC[N@@H+](Cc1ccncc1)C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC ZINC001168941765 1079081370 /nfs/dbraw/zinc/08/13/70/1079081370.db2.gz UHOWGBZPHNOAMW-IBGZPJMESA-N 1 0 410.474 2.316 20 0 HEADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(CCC[NH+](C)C)CC3)C2=O)cc1 ZINC000766552011 1079082388 /nfs/dbraw/zinc/08/23/88/1079082388.db2.gz FPCGHWAYPISZRS-HSZRJFAPSA-N 1 0 414.550 2.342 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C(=O)c4ccc(O)cc4)CC3)CC2=O)cc1 ZINC001168953650 1079086208 /nfs/dbraw/zinc/08/62/08/1079086208.db2.gz KOJGMQRTLPTLSZ-HXUWFJFHSA-N 1 0 423.513 2.350 20 0 HEADRO COc1ccc(CN2CC[C@H](N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)CC2=O)cc1 ZINC001168929065 1079087674 /nfs/dbraw/zinc/08/76/74/1079087674.db2.gz HIWQLURXKGRWRX-UXHICEINSA-N 1 0 411.550 2.076 20 0 HEADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(Br)cc3-n3cncn3)C[C@]2(C)C1 ZINC001168930581 1079088569 /nfs/dbraw/zinc/08/85/69/1079088569.db2.gz OUACIWFAXQDRQR-ROUUACIJSA-N 1 0 404.312 2.444 20 0 HEADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000770967247 1079091228 /nfs/dbraw/zinc/09/12/28/1079091228.db2.gz DTNSGUACUPLXNK-SWLSCSKDSA-N 1 0 409.474 2.075 20 0 HEADRO COC(=O)c1cnc2c(c1)C[N@H+]([C@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2 ZINC001168956811 1079091317 /nfs/dbraw/zinc/09/13/17/1079091317.db2.gz FPRITNLQYOWZDK-IBGZPJMESA-N 1 0 409.486 2.426 20 0 HEADRO Cc1nc(CC[NH3+])nn1-c1cnc(C(C)(C)NC(=O)OCC[Si](C)(C)C)nc1 ZINC001168989102 1079101402 /nfs/dbraw/zinc/10/14/02/1079101402.db2.gz HTVUIBPZXGAPEC-UHFFFAOYSA-N 1 0 405.579 2.166 20 0 HEADRO COc1ccc(Br)cc1C1(C(=O)N2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC001169041584 1079108293 /nfs/dbraw/zinc/10/82/93/1079108293.db2.gz RXXGWLGFMPZUCC-UHFFFAOYSA-N 1 0 411.340 2.404 20 0 HEADRO COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CC[NH+](CCCCCO)CC1 ZINC001169066066 1079121589 /nfs/dbraw/zinc/12/15/89/1079121589.db2.gz WVXVJDIJSYXWQX-UHFFFAOYSA-N 1 0 416.518 2.349 20 0 HEADRO COC(=O)N(C)Cc1ccc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000766590608 1079129432 /nfs/dbraw/zinc/12/94/32/1079129432.db2.gz FWRCHBFSJFDLLK-UHFFFAOYSA-N 1 0 418.538 2.404 20 0 HEADRO COc1c(N[C@@H](Cc2ccc(O)cc2)C(=O)OC(C)(C)C)ncnc1C1C[NH2+]C1 ZINC001169104026 1079130482 /nfs/dbraw/zinc/13/04/82/1079130482.db2.gz KZAOGTPSXNLWLF-INIZCTEOSA-N 1 0 400.479 2.243 20 0 HEADRO CCN1CCC([NH+]2CCC(C(=O)N[C@@](C)(CO)Cc3ccc(F)cc3)CC2)CC1 ZINC001169104192 1079130590 /nfs/dbraw/zinc/13/05/90/1079130590.db2.gz QETKLOFCZXLYCB-HSZRJFAPSA-N 1 0 405.558 2.432 20 0 HEADRO CO[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170021359 1079141043 /nfs/dbraw/zinc/14/10/43/1079141043.db2.gz CIXJNRVPUTUJTN-VQHPVUNQSA-N 1 0 413.584 2.445 20 0 HEADRO CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C[C@@H]1OC ZINC000766600227 1079147240 /nfs/dbraw/zinc/14/72/40/1079147240.db2.gz GKJOLGJNMHDCRH-UXHICEINSA-N 1 0 416.566 2.477 20 0 HEADRO CSc1ccc([C@H](O)[C@H](CO)Nc2cccc3nc([C@@H]4C[NH2+]CCO4)cn32)cc1 ZINC001169089236 1079138207 /nfs/dbraw/zinc/13/82/07/1079138207.db2.gz KMKQEVJPKITLLY-WFXMLNOXSA-N 1 0 414.531 2.224 20 0 HEADRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766602131 1079149098 /nfs/dbraw/zinc/14/90/98/1079149098.db2.gz SLMAMBFYLLVJJG-OKDNKWQNSA-N 1 0 416.565 2.020 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCOC[C@]3(CN(c4ccc(F)c(F)c4)C(=O)CO3)C1)C2 ZINC001169131207 1079151305 /nfs/dbraw/zinc/15/13/05/1079151305.db2.gz RPGDHWNITLGKBG-UNMKOGDSSA-N 1 0 421.488 2.024 20 0 HEADRO O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746335360 1079153036 /nfs/dbraw/zinc/15/30/36/1079153036.db2.gz VUXYBLNBGWHODZ-WOJBJXKFSA-N 1 0 408.420 2.190 20 0 HEADRO C[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C[NH+]1CCCC1 ZINC000771111862 1079157500 /nfs/dbraw/zinc/15/75/00/1079157500.db2.gz GOTNIXWTAGLKQK-RBZFPXEDSA-N 1 0 424.904 2.094 20 0 HEADRO O=C(COC(=O)Cc1cccc(OCc2cccnc2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000771150826 1079162618 /nfs/dbraw/zinc/16/26/18/1079162618.db2.gz VIWGCPPLFRQIPG-UHFFFAOYSA-N 1 0 423.513 2.489 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001169160089 1079169123 /nfs/dbraw/zinc/16/91/23/1079169123.db2.gz AUCINKZTCPXNGZ-CABCVRRESA-N 1 0 401.486 2.482 20 0 HEADRO C[N@@H+]1CCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C(C)(C)C1 ZINC000766611535 1079169320 /nfs/dbraw/zinc/16/93/20/1079169320.db2.gz AWQGRYBGCDKGEE-WJDWOHSUSA-N 1 0 405.564 2.252 20 0 HEADRO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)C2)c1 ZINC001169149870 1079166718 /nfs/dbraw/zinc/16/67/18/1079166718.db2.gz OXIMTKKHUABEGK-UXHICEINSA-N 1 0 416.566 2.237 20 0 HEADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000771156626 1079169728 /nfs/dbraw/zinc/16/97/28/1079169728.db2.gz ADOHDJYPOXZXRK-UHFFFAOYSA-N 1 0 403.932 2.321 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccc(Cl)c1 ZINC001169160909 1079170079 /nfs/dbraw/zinc/17/00/79/1079170079.db2.gz MMDCDDVOZKTBOC-AWEZNQCLSA-N 1 0 403.914 2.436 20 0 HEADRO Cc1cccc(C2(C[NH2+][C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)n1 ZINC001169188921 1079177664 /nfs/dbraw/zinc/17/76/64/1079177664.db2.gz BLLYUJKUCWNOEJ-MRXNPFEDSA-N 1 0 424.549 2.017 20 0 HEADRO Cc1ccnc(C2(C[NH2+][C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)c1 ZINC001169194251 1079181364 /nfs/dbraw/zinc/18/13/64/1079181364.db2.gz XMJREZPKXFFFGD-KRWDZBQOSA-N 1 0 424.549 2.017 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2ccsc2C1 ZINC001169200815 1079183012 /nfs/dbraw/zinc/18/30/12/1079183012.db2.gz CLZDZFHMPZMIRT-AWEZNQCLSA-N 1 0 401.536 2.112 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc2ncccc2c1 ZINC001169169514 1079185449 /nfs/dbraw/zinc/18/54/49/1079185449.db2.gz QKPNITIRCANFSM-MRXNPFEDSA-N 1 0 420.517 2.331 20 0 HEADRO Cc1csc([C@H](C)[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC001169170331 1079186026 /nfs/dbraw/zinc/18/60/26/1079186026.db2.gz UXWMFOHQGVYNGX-JSGCOSHPSA-N 1 0 404.540 2.108 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCc1ccccc1F ZINC001169172446 1079186689 /nfs/dbraw/zinc/18/66/89/1079186689.db2.gz OYOWNTIPWXLGHM-INIZCTEOSA-N 1 0 415.513 2.354 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001169176648 1079190012 /nfs/dbraw/zinc/19/00/12/1079190012.db2.gz OQDOXNPZFJVBPU-KDOFPFPSSA-N 1 0 413.497 2.409 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCc2c1cccc2F ZINC001169177214 1079190545 /nfs/dbraw/zinc/19/05/45/1079190545.db2.gz QHCJYMSVNKCUMC-KSSFIOAISA-N 1 0 413.497 2.409 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](c1ccncc1)C1CC1 ZINC001169178132 1079191784 /nfs/dbraw/zinc/19/17/84/1079191784.db2.gz WGGCPUBGDLVNDM-QAPCUYQASA-N 1 0 410.522 2.128 20 0 HEADRO NS(=O)(=O)c1cc(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC001169178312 1079192008 /nfs/dbraw/zinc/19/20/08/1079192008.db2.gz MMFNIPIOMUYLSE-UHFFFAOYSA-N 1 0 407.561 2.428 20 0 HEADRO Cc1cccc(CC[N@@H+](C)[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169208922 1079196490 /nfs/dbraw/zinc/19/64/90/1079196490.db2.gz RXZVARLHLDZFIG-GOSISDBHSA-N 1 0 411.550 2.475 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(c2cccnc2)CC1 ZINC001169213450 1079197562 /nfs/dbraw/zinc/19/75/62/1079197562.db2.gz QCZGLKUESWDQCG-KRWDZBQOSA-N 1 0 424.549 2.267 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1)C(C)C ZINC000771200726 1079201444 /nfs/dbraw/zinc/20/14/44/1079201444.db2.gz CMWVHVLAKVOABD-UHFFFAOYSA-N 1 0 402.539 2.438 20 0 HEADRO OCC1(C[C@H](O)C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCCC1 ZINC001169226817 1079204226 /nfs/dbraw/zinc/20/42/26/1079204226.db2.gz VEYPKHZGKCRCAM-ZDUSSCGKSA-N 1 0 408.490 2.373 20 0 HEADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Nc2cnn(C)c2C2CC2)CC1 ZINC000771206196 1079204522 /nfs/dbraw/zinc/20/45/22/1079204522.db2.gz KXAYMKHGUXSNBP-UHFFFAOYSA-N 1 0 404.559 2.390 20 0 HEADRO COc1cccnc1CNc1nccc(C[N@@H+]2CC[C@H](CO)C2)c1C(OC)OC ZINC001169205981 1079205324 /nfs/dbraw/zinc/20/53/24/1079205324.db2.gz UGGLUJQMTYNESC-HNNXBMFYSA-N 1 0 402.495 2.203 20 0 HEADRO Cc1cc(C)n2c(nn(CN3CCN(C4CC[NH+](C(C)C)CC4)CC3)c2=S)n1 ZINC000771174845 1079208875 /nfs/dbraw/zinc/20/88/75/1079208875.db2.gz NNYPFZKOLSGKAC-UHFFFAOYSA-N 1 0 403.600 2.325 20 0 HEADRO CC(C)CN1N=C(C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)CCC1=O ZINC000766653063 1079221169 /nfs/dbraw/zinc/22/11/69/1079221169.db2.gz BHFDMSFJAQNFJK-UHFFFAOYSA-N 1 0 400.523 2.389 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)CC[NH2+]2)c1 ZINC001169251870 1079212387 /nfs/dbraw/zinc/21/23/87/1079212387.db2.gz QRTBCGYCZXXSDS-ICSRJNTNSA-N 1 0 401.551 2.465 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)cc1)C1CC[NH+](C)CC1 ZINC000766646193 1079215022 /nfs/dbraw/zinc/21/50/22/1079215022.db2.gz XKBSDZNRJXOEBJ-IBGZPJMESA-N 1 0 410.522 2.072 20 0 HEADRO COCCNC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H]1CCC[C@H]1CCO)CCCC2 ZINC001169274058 1079215140 /nfs/dbraw/zinc/21/51/40/1079215140.db2.gz WKNKTLMWQBFDAU-HOCLYGCPSA-N 1 0 423.579 2.082 20 0 HEADRO O[C@@H](C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)C[C@@]1(O)CCOC1 ZINC001169293819 1079217057 /nfs/dbraw/zinc/21/70/57/1079217057.db2.gz ZCSGPRHLBFVFNA-MOPGFXCFSA-N 1 0 414.340 2.333 20 0 HEADRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000766643937 1079223196 /nfs/dbraw/zinc/22/31/96/1079223196.db2.gz MVUYRWNJSYDHPS-MGPUTAFESA-N 1 0 401.482 2.497 20 0 HEADRO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C[NH+](C)C)cc2)C1=O ZINC000771244015 1079224356 /nfs/dbraw/zinc/22/43/56/1079224356.db2.gz HFVLQMQQBOMTKR-JOCHJYFZSA-N 1 0 410.474 2.163 20 0 HEADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)cc1S(=O)(=O)N1CCCCC1 ZINC001169270980 1079224562 /nfs/dbraw/zinc/22/45/62/1079224562.db2.gz KMFBJDBGAGKYFY-PKOBYXMFSA-N 1 0 423.579 2.249 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCOC2CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169312827 1079224846 /nfs/dbraw/zinc/22/48/46/1079224846.db2.gz GHNNBAYFALZEJS-SJLPKXTDSA-N 1 0 414.543 2.493 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CO1 ZINC001169314065 1079225277 /nfs/dbraw/zinc/22/52/77/1079225277.db2.gz SLQHEHHSSFOKQJ-ZACQAIPSSA-N 1 0 412.527 2.245 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2COC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CO1 ZINC001169313348 1079225396 /nfs/dbraw/zinc/22/53/96/1079225396.db2.gz MSWNYZKRGJZVKN-ULQDDVLXSA-N 1 0 412.527 2.245 20 0 HEADRO COc1ccc([C@@H]2CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO2)cc1 ZINC001169311328 1079232791 /nfs/dbraw/zinc/23/27/91/1079232791.db2.gz ZNCDABOLCRQYAT-OALUTQOASA-N 1 0 421.538 2.440 20 0 HEADRO [NH3+]Cc1cnnn1-c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC001169307688 1079231590 /nfs/dbraw/zinc/23/15/90/1079231590.db2.gz AHZXMLHNSSETRG-UHFFFAOYSA-N 1 0 413.532 2.291 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CO1 ZINC001169325478 1079234842 /nfs/dbraw/zinc/23/48/42/1079234842.db2.gz LMRBCMXFCJQIOZ-JJDSTIRJSA-N 1 0 412.527 2.245 20 0 HEADRO COc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c2ncccc12 ZINC000771282695 1079239551 /nfs/dbraw/zinc/23/95/51/1079239551.db2.gz VUNRKWPMVUKKLC-KRWDZBQOSA-N 1 0 401.511 2.457 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3C(=O)OC)CC2)CO1 ZINC001169351907 1079248376 /nfs/dbraw/zinc/24/83/76/1079248376.db2.gz NXYWOQJRUVNARR-QUCCMNQESA-N 1 0 404.507 2.138 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(C(=O)OC)cc3)CC2)CO1 ZINC001169352377 1079248949 /nfs/dbraw/zinc/24/89/49/1079248949.db2.gz OYPMQJTWDCFJJR-VQTJNVASSA-N 1 0 404.507 2.138 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](C2COC2)C2CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169408678 1079253293 /nfs/dbraw/zinc/25/32/93/1079253293.db2.gz FMAPDFQACWELBS-WMZOPIPTSA-N 1 0 412.527 2.197 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CO1 ZINC001169387764 1079258065 /nfs/dbraw/zinc/25/80/65/1079258065.db2.gz OXYJYNSRAVDHDQ-CNNODRBYSA-N 1 0 401.507 2.149 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCc3nc(C(=O)N(CC)CC)sc3CC2)CO1 ZINC001169388813 1079259297 /nfs/dbraw/zinc/25/92/97/1079259297.db2.gz QMWYJTHEDMXQKT-GDBMZVCRSA-N 1 0 409.552 2.136 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CO1 ZINC001169390872 1079260776 /nfs/dbraw/zinc/26/07/76/1079260776.db2.gz XLYZEFGKKTYFLS-DXIQSLLYSA-N 1 0 404.482 2.361 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CO1 ZINC001169390877 1079261046 /nfs/dbraw/zinc/26/10/46/1079261046.db2.gz XLYZEFGKKTYFLS-XQBPLPMBSA-N 1 0 404.482 2.361 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392773 1079263151 /nfs/dbraw/zinc/26/31/51/1079263151.db2.gz QRUGOUYMEIXNDV-BTHPGYMESA-N 1 0 423.579 2.085 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)CO1 ZINC001169399852 1079273474 /nfs/dbraw/zinc/27/34/74/1079273474.db2.gz WWJZTXOIZKRHBN-AQNXPRMDSA-N 1 0 404.507 2.332 20 0 HEADRO COc1ccc(C(=O)NCC23CCC[NH+](CCC2)C3)cc1S(=O)(=O)N1CCCC1 ZINC001169394577 1079266912 /nfs/dbraw/zinc/26/69/12/1079266912.db2.gz UNOUXHGETLYSJD-UHFFFAOYSA-N 1 0 421.563 2.086 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)CO1 ZINC001169396727 1079268795 /nfs/dbraw/zinc/26/87/95/1079268795.db2.gz LSUNDDQPPOBNMO-APAFKAMOSA-N 1 0 410.536 2.311 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)CO1 ZINC001169397439 1079269446 /nfs/dbraw/zinc/26/94/46/1079269446.db2.gz NQJAWKFWMUQFKX-BRSBDYLESA-N 1 0 407.536 2.128 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H](n2ccc3c2ncnc3N(C)[C@H]2C[NH2+]CC[C@H]2C)CO1 ZINC001169416443 1079276508 /nfs/dbraw/zinc/27/65/08/1079276508.db2.gz IEFRUOJNKMGXKM-MXSMSXNCSA-N 1 0 401.511 2.149 20 0 HEADRO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+]([C@H]3CC[C@H](C(=O)OCC)OC3)C2)cc1 ZINC001169416237 1079276660 /nfs/dbraw/zinc/27/66/60/1079276660.db2.gz BCBLITSGKKJUTR-YSIASYRMSA-N 1 0 404.507 2.390 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H](N(c2cc(C(F)(F)F)ncn2)C2CC[NH2+]CC2)CO1 ZINC001169417778 1079277686 /nfs/dbraw/zinc/27/76/86/1079277686.db2.gz GVQBDLJAJHTQTG-UONOGXRCSA-N 1 0 402.417 2.165 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](CCCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001169422055 1079280319 /nfs/dbraw/zinc/28/03/19/1079280319.db2.gz QBAQSZWDMMMVTH-SQNIBIBYSA-N 1 0 414.543 2.445 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C1 ZINC000771323019 1079286703 /nfs/dbraw/zinc/28/67/03/1079286703.db2.gz IGDXGBKWKRSMQY-IEBWSBKVSA-N 1 0 418.538 2.416 20 0 HEADRO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC001169441957 1079292603 /nfs/dbraw/zinc/29/26/03/1079292603.db2.gz UZCILAIJLJEFAA-RDTXWAMCSA-N 1 0 408.520 2.455 20 0 HEADRO 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COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000740879479 1076279385 /nfs/dbraw/zinc/27/93/85/1076279385.db2.gz LAIFOMVZVSEXGR-ZOBUZTSGSA-N 1 0 411.543 2.022 20 0 HEADRO CCC[N@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740881369 1076280784 /nfs/dbraw/zinc/28/07/84/1076280784.db2.gz AOXNTNFDNBBTBR-VHGGIHSPSA-N 1 0 420.554 2.044 20 0 HEADRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740882912 1076283686 /nfs/dbraw/zinc/28/36/86/1076283686.db2.gz NXQJCHFLQUACQD-YOEHRIQHSA-N 1 0 404.511 2.349 20 0 HEADRO COCCC[NH+]1CCC(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000740917688 1076304417 /nfs/dbraw/zinc/30/44/17/1076304417.db2.gz QNYZVIOZJCSIOP-AEFFLSMTSA-N 1 0 412.575 2.432 20 0 HEADRO CCCCn1c2nc(COC(=O)[C@H](C(C)C)[NH+]3CCCCC3)n(C)c2c(=O)[nH]c1=O ZINC000741010298 1076327555 /nfs/dbraw/zinc/32/75/55/1076327555.db2.gz FHOOWCUMAHMVCU-INIZCTEOSA-N 1 0 419.526 2.189 20 0 HEADRO CCOC(=O)C1=C(COC(=O)[C@@H](C)[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccco1 ZINC000741031266 1076331396 /nfs/dbraw/zinc/33/13/96/1076331396.db2.gz OBLZFUJHNPLXFV-RDTXWAMCSA-N 1 0 419.478 2.258 20 0 HEADRO CC[C@H](C(=O)OCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)[NH+](CC)CC ZINC000741033245 1076332152 /nfs/dbraw/zinc/33/21/52/1076332152.db2.gz SCSAIABQERMKDI-GOSISDBHSA-N 1 0 419.570 2.221 20 0 HEADRO COc1ccccc1Nc1nc(N)nc(COC(=O)[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC000741015167 1076336195 /nfs/dbraw/zinc/33/61/95/1076336195.db2.gz YHPRWOMBRHRPDM-KRWDZBQOSA-N 1 0 400.483 2.370 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000741056102 1076346757 /nfs/dbraw/zinc/34/67/57/1076346757.db2.gz CXWYNHPLRUYMDX-HKUYNNGSSA-N 1 0 408.568 2.306 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000741056105 1076346769 /nfs/dbraw/zinc/34/67/69/1076346769.db2.gz CXWYNHPLRUYMDX-PKOBYXMFSA-N 1 0 408.568 2.306 20 0 HEADRO C[C@H](NC(=O)NCC[S@@](=O)C(C)(C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000741085603 1076349443 /nfs/dbraw/zinc/34/94/43/1076349443.db2.gz STQXONDOMPLIPO-OHZJNBGDSA-N 1 0 412.575 2.485 20 0 HEADRO C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000741077796 1076355220 /nfs/dbraw/zinc/35/52/20/1076355220.db2.gz UVQFTACPYYJIGE-OAHLLOKOSA-N 1 0 403.354 2.352 20 0 HEADRO C[NH+](C)CCN1CCC(NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000741077053 1076355439 /nfs/dbraw/zinc/35/54/39/1076355439.db2.gz LZQGZTLQLCFRBC-MRXNPFEDSA-N 1 0 403.354 2.352 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)C1 ZINC000741119073 1076379117 /nfs/dbraw/zinc/37/91/17/1076379117.db2.gz YKGBFEHPVJGKHP-QFBILLFUSA-N 1 0 402.491 2.207 20 0 HEADRO COc1ccc([C@@H]2[C@H](COC(=O)[C@H]3CCCCN3S(C)(=O)=O)CC[N@@H+]2C)cc1 ZINC000741123613 1076380207 /nfs/dbraw/zinc/38/02/07/1076380207.db2.gz HMJAUHAQFOCLTJ-QXAKKESOSA-N 1 0 410.536 2.045 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000741222947 1076411131 /nfs/dbraw/zinc/41/11/31/1076411131.db2.gz DCFNWTKRUIYHCS-FXAWDEMLSA-N 1 0 404.507 2.344 20 0 HEADRO COC(=O)C1=C(CN(C)C[C@H]2CCC[N@H+](C)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000741250144 1076420254 /nfs/dbraw/zinc/42/02/54/1076420254.db2.gz IQVAJVVHKSAUAW-JXFKEZNVSA-N 1 0 400.523 2.083 20 0 HEADRO COC(=O)C1=C(CN(C)C[C@H]2CCC[N@H+](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000741250149 1076420259 /nfs/dbraw/zinc/42/02/59/1076420259.db2.gz IQVAJVVHKSAUAW-OXJNMPFZSA-N 1 0 400.523 2.083 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CC3)CC2)c1 ZINC000741274865 1076440518 /nfs/dbraw/zinc/44/05/18/1076440518.db2.gz MCCKZJSDAGNQCJ-KRWDZBQOSA-N 1 0 419.526 2.225 20 0 HEADRO COc1cc(CN(C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(SC)cc1OC ZINC000741274347 1076440562 /nfs/dbraw/zinc/44/05/62/1076440562.db2.gz DZORSHHNFFTACV-CVEARBPZSA-N 1 0 409.552 2.430 20 0 HEADRO C[C@H](OC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC(=O)NCC(F)(F)F ZINC000741320670 1076466531 /nfs/dbraw/zinc/46/65/31/1076466531.db2.gz SEKFAVZMSAJXAB-DZGCQCFKSA-N 1 0 415.412 2.218 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3c(C)nn(C)c3C)cc2)CC1 ZINC000741340264 1076474114 /nfs/dbraw/zinc/47/41/14/1076474114.db2.gz HKRHJMBABFLZCI-QGZVFWFLSA-N 1 0 413.522 2.363 20 0 HEADRO NS(=O)(=O)c1ccc(OCCOC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000741333241 1076480488 /nfs/dbraw/zinc/48/04/88/1076480488.db2.gz YTQOBXJQQQMTRB-UHFFFAOYSA-N 1 0 418.515 2.168 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000741404220 1076511381 /nfs/dbraw/zinc/51/13/81/1076511381.db2.gz LJLMYLYNULQOEZ-ROUUACIJSA-N 1 0 409.914 2.450 20 0 HEADRO O=C(NCc1cccc(N2CCOC2=O)c1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741409984 1076513011 /nfs/dbraw/zinc/51/30/11/1076513011.db2.gz WPUMJNHQRNKIDG-HSZRJFAPSA-N 1 0 424.501 2.079 20 0 HEADRO CC(C)[C@H](CNC(=O)NC[C@@H](O)c1c(F)cccc1Cl)[NH+]1CCN(C)CC1 ZINC000741412846 1076514106 /nfs/dbraw/zinc/51/41/06/1076514106.db2.gz VDSCNKJCGDEZQQ-DLBZAZTESA-N 1 0 400.926 2.084 20 0 HEADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2Cl)c1 ZINC000741427955 1076520905 /nfs/dbraw/zinc/52/09/05/1076520905.db2.gz HMCPWPROETZBDO-KRWDZBQOSA-N 1 0 423.872 2.208 20 0 HEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=S)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000741502844 1076539345 /nfs/dbraw/zinc/53/93/45/1076539345.db2.gz ZCJCAJFNJDLERK-UHFFFAOYSA-N 1 0 414.457 2.389 20 0 HEADRO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000741587272 1076546454 /nfs/dbraw/zinc/54/64/54/1076546454.db2.gz DTJADIBOJAFGLF-VDGAXYAQSA-N 1 0 400.523 2.373 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)[C@@H](C)C1 ZINC000741588159 1076546991 /nfs/dbraw/zinc/54/69/91/1076546991.db2.gz HOPWUXYZOLJHCT-MAUKXSAKSA-N 1 0 411.543 2.413 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)[C@@H](C)C1 ZINC000741591678 1076548483 /nfs/dbraw/zinc/54/84/83/1076548483.db2.gz URXAMNLJWKJSJX-JXFKEZNVSA-N 1 0 415.538 2.403 20 0 HEADRO COCCOc1ccc(-n2nc(C)c(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)n2)cc1 ZINC000741584914 1076554550 /nfs/dbraw/zinc/55/45/50/1076554550.db2.gz LPVPHJDBKOJXRJ-BEFAXECRSA-N 1 0 401.511 2.013 20 0 HEADRO CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1(C)C ZINC000766271188 1076559123 /nfs/dbraw/zinc/55/91/23/1076559123.db2.gz MAQPQZGHWRURQF-VQTJNVASSA-N 1 0 416.566 2.475 20 0 HEADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000741604609 1076563319 /nfs/dbraw/zinc/56/33/19/1076563319.db2.gz SUVPYXISIMLDBZ-DLXXGXJASA-N 1 0 401.576 2.460 20 0 HEADRO CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)[C@H]1CCC[N@H+](C)C1 ZINC000741626958 1076570829 /nfs/dbraw/zinc/57/08/29/1076570829.db2.gz YSMZGDNLDFPVIY-WMZHIEFXSA-N 1 0 408.502 2.159 20 0 HEADRO CC(C)O[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1(C)C ZINC000766275071 1076576426 /nfs/dbraw/zinc/57/64/26/1076576426.db2.gz NAYWRMZQWFVNGN-OALUTQOASA-N 1 0 402.539 2.085 20 0 HEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc(N3CCOC3=O)ccc2F)CC1 ZINC000741679693 1076584078 /nfs/dbraw/zinc/58/40/78/1076584078.db2.gz AEPOBGIRIIVVLP-CALCHBBNSA-N 1 0 418.513 2.413 20 0 HEADRO CC(C)c1ccc(N2CC[C@H](C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000741691203 1076588193 /nfs/dbraw/zinc/58/81/93/1076588193.db2.gz KMHUYEPDKKWBLE-GHTZIAJQSA-N 1 0 400.567 2.163 20 0 HEADRO CN(C[C@@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000741777830 1076624118 /nfs/dbraw/zinc/62/41/18/1076624118.db2.gz LOBYCWKJOVRQCD-INIZCTEOSA-N 1 0 408.543 2.430 20 0 HEADRO COCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000741794641 1076631465 /nfs/dbraw/zinc/63/14/65/1076631465.db2.gz VHUZAQCXUCSGMH-SFHVURJKSA-N 1 0 405.539 2.368 20 0 HEADRO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741796605 1076632304 /nfs/dbraw/zinc/63/23/04/1076632304.db2.gz IHKJNKVJHYGHML-LJQANCHMSA-N 1 0 418.538 2.496 20 0 HEADRO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)NC(=O)N[C@H]1C ZINC000741797910 1076639650 /nfs/dbraw/zinc/63/96/50/1076639650.db2.gz BVFHGBFGXXAPKH-DOTOQJQBSA-N 1 0 401.507 2.468 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1 ZINC000741890028 1076661194 /nfs/dbraw/zinc/66/11/94/1076661194.db2.gz VQLMBDUWBMAAHE-IBGZPJMESA-N 1 0 407.518 2.324 20 0 HEADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000741875994 1076663101 /nfs/dbraw/zinc/66/31/01/1076663101.db2.gz QAVKQQTZOXRSGO-HUUCEWRRSA-N 1 0 408.534 2.468 20 0 HEADRO C[C@H](CNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000741902236 1076665101 /nfs/dbraw/zinc/66/51/01/1076665101.db2.gz TYXAOOSKTTZFRS-IAGOWNOFSA-N 1 0 420.579 2.227 20 0 HEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000741943319 1076688708 /nfs/dbraw/zinc/68/87/08/1076688708.db2.gz QEXIGTLHUJUIFH-SFHVURJKSA-N 1 0 402.401 2.257 20 0 HEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000741943317 1076688786 /nfs/dbraw/zinc/68/87/86/1076688786.db2.gz QEXIGTLHUJUIFH-GOSISDBHSA-N 1 0 402.401 2.257 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 ZINC000741982397 1076702402 /nfs/dbraw/zinc/70/24/02/1076702402.db2.gz UUMAJNNENMLKJK-KRWDZBQOSA-N 1 0 410.518 2.479 20 0 HEADRO CN1CCC(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)([NH+]2CCCCC2)CC1 ZINC000742011283 1076706651 /nfs/dbraw/zinc/70/66/51/1076706651.db2.gz NAKVCRXDRISXBP-GOSISDBHSA-N 1 0 416.541 2.245 20 0 HEADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NCC(C)(C)C[NH+](C)C ZINC000737460105 1076715889 /nfs/dbraw/zinc/71/58/89/1076715889.db2.gz NLGGRCFEJSAUQU-UHFFFAOYSA-N 1 0 416.613 2.210 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000742074496 1076735781 /nfs/dbraw/zinc/73/57/81/1076735781.db2.gz KJJDIUFPYBTBLZ-MOPGFXCFSA-N 1 0 405.926 2.453 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)C[C@H]1C ZINC000742082942 1076738396 /nfs/dbraw/zinc/73/83/96/1076738396.db2.gz UPVOTTSHLOFUFL-SJORKVTESA-N 1 0 420.579 2.179 20 0 HEADRO O=C(/C=C/c1ccc(I)o1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742107161 1076744503 /nfs/dbraw/zinc/74/45/03/1076744503.db2.gz GLWDLKMYMKSRBE-OHVSUOQFSA-N 1 0 416.259 2.078 20 0 HEADRO CC(C)NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000742117299 1076747567 /nfs/dbraw/zinc/74/75/67/1076747567.db2.gz AJFGBHOGNIMEMK-INIZCTEOSA-N 1 0 411.543 2.460 20 0 HEADRO C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CN2CC[C@H]([NH+]3CC=CC3)C2)C1=O ZINC000742162976 1076772843 /nfs/dbraw/zinc/77/28/43/1076772843.db2.gz LLBZEQACVJRUFW-HNAYVOBHSA-N 1 0 424.423 2.256 20 0 HEADRO S=c1n(CN2CC[C@H]([NH+]3CC=CC3)C2)nc(N2CCOCC2)n1-c1ccccc1 ZINC000742163084 1076773473 /nfs/dbraw/zinc/77/34/73/1076773473.db2.gz PEYFRSKVQCQMCE-IBGZPJMESA-N 1 0 412.563 2.143 20 0 HEADRO C[NH+]1CCC2(CCN2C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000742183424 1076774659 /nfs/dbraw/zinc/77/46/59/1076774659.db2.gz GLPXPMBKHAIZRB-UHFFFAOYSA-N 1 0 405.564 2.100 20 0 HEADRO CC[C@@H](C)[N@H+](C)CCn1c(N2CCNC(=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001545679738 1076801943 /nfs/dbraw/zinc/80/19/43/1076801943.db2.gz ZQZJSEHNCGPGAQ-GOSISDBHSA-N 1 0 410.566 2.415 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000742297756 1076821456 /nfs/dbraw/zinc/82/14/56/1076821456.db2.gz VSQVKMOVIHSTCE-GOSISDBHSA-N 1 0 409.552 2.191 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000742300051 1076822159 /nfs/dbraw/zinc/82/21/59/1076822159.db2.gz UZEHGSCAJGGPDF-UHFFFAOYSA-N 1 0 403.589 2.381 20 0 HEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000742334922 1076825765 /nfs/dbraw/zinc/82/57/65/1076825765.db2.gz XRDCJUFGIMLQDA-HXUWFJFHSA-N 1 0 401.532 2.218 20 0 HEADRO Cn1cc(N2CCC[C@H](ON=C(N)c3ccccc3C[NH+]3CCCCC3)C2=O)cn1 ZINC000742357572 1076830293 /nfs/dbraw/zinc/83/02/93/1076830293.db2.gz XQCKDYSWVDGVSJ-FQEVSTJZSA-N 1 0 410.522 2.448 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000742395187 1076833749 /nfs/dbraw/zinc/83/37/49/1076833749.db2.gz QRJXAMQKCNRUGR-UHFFFAOYSA-N 1 0 401.960 2.441 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)n(C)c1 ZINC000742397070 1076834069 /nfs/dbraw/zinc/83/40/69/1076834069.db2.gz LLSFXDUIFLCHJN-FQEVSTJZSA-N 1 0 420.579 2.397 20 0 HEADRO Cc1cc([C@@](C)(O)C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)c(C)o1 ZINC000742374547 1076834837 /nfs/dbraw/zinc/83/48/37/1076834837.db2.gz VIFNUABTSICCBU-KDOFPFPSSA-N 1 0 415.943 2.412 20 0 HEADRO CCOc1cc(C[NH2+]C[C@H](O)c2cnn(C)c2)ccc1OCC(=O)N1CCCCC1 ZINC000742376429 1076834967 /nfs/dbraw/zinc/83/49/67/1076834967.db2.gz SGIMEBPBBOWHQG-IBGZPJMESA-N 1 0 416.522 2.033 20 0 HEADRO Cc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)[NH+](C)C)cc1 ZINC000742402145 1076837826 /nfs/dbraw/zinc/83/78/26/1076837826.db2.gz QXYAHDYKHDUXAY-HYBUGGRVSA-N 1 0 420.513 2.107 20 0 HEADRO CC(C)N1C(=O)c2ccc(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)cc2S1(=O)=O ZINC000742401912 1076837898 /nfs/dbraw/zinc/83/78/98/1076837898.db2.gz LKLRBTLTQVEOEX-OAHLLOKOSA-N 1 0 407.536 2.090 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)c1ccco1 ZINC000742403107 1076838070 /nfs/dbraw/zinc/83/80/70/1076838070.db2.gz OCUVQZGXHINVGO-HNNXBMFYSA-N 1 0 409.508 2.470 20 0 HEADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 ZINC000742490287 1076844270 /nfs/dbraw/zinc/84/42/70/1076844270.db2.gz JLMWBAQQQADPRT-UHFFFAOYSA-N 1 0 402.417 2.117 20 0 HEADRO CN1CCC([NH+]2CCC(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000742598380 1076854659 /nfs/dbraw/zinc/85/46/59/1076854659.db2.gz ANAYQNZAQLBQDR-LJQANCHMSA-N 1 0 408.587 2.451 20 0 HEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000742647894 1076857992 /nfs/dbraw/zinc/85/79/92/1076857992.db2.gz VFGNCGTXHOVJNZ-RBUKOAKNSA-N 1 0 408.587 2.405 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000742669046 1076862728 /nfs/dbraw/zinc/86/27/28/1076862728.db2.gz FDSFIMPWKJIFPE-MRXNPFEDSA-N 1 0 406.914 2.243 20 0 HEADRO CC[NH+]1CCN(CCNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 ZINC000742669708 1076862940 /nfs/dbraw/zinc/86/29/40/1076862940.db2.gz OAOFGXJDVUKOSZ-UHFFFAOYSA-N 1 0 402.417 2.165 20 0 HEADRO C[C@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000742670893 1076863289 /nfs/dbraw/zinc/86/32/89/1076863289.db2.gz CIJAMBUFINKCOJ-IEBWSBKVSA-N 1 0 404.555 2.047 20 0 HEADRO COc1cc(C[NH2+][C@@H](C)COc2ccccc2)ccc1OCC(=O)N1CCOCC1 ZINC000742725057 1076870110 /nfs/dbraw/zinc/87/01/10/1076870110.db2.gz ZVBGQFYENJIMHW-SFHVURJKSA-N 1 0 414.502 2.490 20 0 HEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccc(-n4cccn4)nc3)cc2)CC1 ZINC000742898085 1076894309 /nfs/dbraw/zinc/89/43/09/1076894309.db2.gz SZSSELWPYKABPK-UHFFFAOYSA-N 1 0 406.490 2.146 20 0 HEADRO CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000742898770 1076894527 /nfs/dbraw/zinc/89/45/27/1076894527.db2.gz ZJZFKPDDOYJWNL-GOSISDBHSA-N 1 0 418.538 2.120 20 0 HEADRO COC(=O)CCN(C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)C1CCOCC1 ZINC000742961452 1076906917 /nfs/dbraw/zinc/90/69/17/1076906917.db2.gz BMQKDROHZYWNTM-UHFFFAOYSA-N 1 0 417.550 2.401 20 0 HEADRO S=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1CN1CCOCC1 ZINC000743006970 1076922845 /nfs/dbraw/zinc/92/28/45/1076922845.db2.gz MYSZXSBGKNQLHM-OAQYLSRUSA-N 1 0 402.608 2.322 20 0 HEADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@H](O)c2cnn(C)c2)CC1 ZINC000743073599 1076943031 /nfs/dbraw/zinc/94/30/31/1076943031.db2.gz KDDBNUDYRSVWOP-SFHVURJKSA-N 1 0 406.918 2.071 20 0 HEADRO CN(C)C(=O)CNC(=S)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000743062908 1076948339 /nfs/dbraw/zinc/94/83/39/1076948339.db2.gz VMRGGMJYTHVPPR-MRXNPFEDSA-N 1 0 416.513 2.336 20 0 HEADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000743179482 1076991728 /nfs/dbraw/zinc/99/17/28/1076991728.db2.gz NCHFINCMLGJBAA-HNNXBMFYSA-N 1 0 412.556 2.332 20 0 HEADRO CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000743205098 1076996023 /nfs/dbraw/zinc/99/60/23/1076996023.db2.gz OHBCZXCXDIUIHP-SFHVURJKSA-N 1 0 400.527 2.046 20 0 HEADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccccc1 ZINC000743210343 1077001598 /nfs/dbraw/zinc/00/15/98/1077001598.db2.gz KQMGHXVBYBPABZ-OAHLLOKOSA-N 1 0 407.540 2.179 20 0 HEADRO COc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1N1CCOC1=O ZINC000743231603 1077008272 /nfs/dbraw/zinc/00/82/72/1077008272.db2.gz JGLKWYUOCVMJSH-HNNXBMFYSA-N 1 0 418.494 2.274 20 0 HEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000743239124 1077012050 /nfs/dbraw/zinc/01/20/50/1077012050.db2.gz YRVLSVMSVSDICB-UHFFFAOYSA-N 1 0 415.943 2.323 20 0 HEADRO CCN1CC[NH+](CCCCNC(=O)Nc2cc(N3CCOC3=O)ccc2C)CC1 ZINC000743240302 1077012339 /nfs/dbraw/zinc/01/23/39/1077012339.db2.gz WYDMMNGVUVWIEK-UHFFFAOYSA-N 1 0 403.527 2.491 20 0 HEADRO C[C@@H](C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC000743324749 1077029031 /nfs/dbraw/zinc/02/90/31/1077029031.db2.gz CQCQIANRKZQTLK-ZWKOTPCHSA-N 1 0 424.586 2.130 20 0 HEADRO CCS(=O)(=O)NCc1ccc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000743330283 1077029646 /nfs/dbraw/zinc/02/96/46/1077029646.db2.gz HGJZLOGLVXODOF-UHFFFAOYSA-N 1 0 403.548 2.460 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c(F)cc1F ZINC000743369164 1077034069 /nfs/dbraw/zinc/03/40/69/1077034069.db2.gz NLBMVJFAKQZLLD-HNNXBMFYSA-N 1 0 418.444 2.151 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(F)cc1F ZINC000743369342 1077034145 /nfs/dbraw/zinc/03/41/45/1077034145.db2.gz ZDKIILGLYPZIFW-GOSISDBHSA-N 1 0 422.407 2.420 20 0 HEADRO Cc1ccc(CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC(F)(F)F)cc1 ZINC000743370366 1077034367 /nfs/dbraw/zinc/03/43/67/1077034367.db2.gz IZUIFPVGEZJZHP-UHFFFAOYSA-N 1 0 412.456 2.376 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(CN2C(=O)N[C@@](CC)(c3ccc(OC)cc3)C2=O)C1 ZINC000743390654 1077040163 /nfs/dbraw/zinc/04/01/63/1077040163.db2.gz SZOJZXJLGVMVPC-VGSWGCGISA-N 1 0 402.539 2.474 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(F)cc1F ZINC000743392183 1077040307 /nfs/dbraw/zinc/04/03/07/1077040307.db2.gz XXORLOJCSAZXSQ-HNNXBMFYSA-N 1 0 418.444 2.151 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(F)cc1F ZINC000743394591 1077041463 /nfs/dbraw/zinc/04/14/63/1077041463.db2.gz COLQNILATUSJKU-JHJVBQTASA-N 1 0 410.465 2.344 20 0 HEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)C1 ZINC000743431738 1077047030 /nfs/dbraw/zinc/04/70/30/1077047030.db2.gz OOULYHDFMCSPLS-CYBMUJFWSA-N 1 0 424.427 2.071 20 0 HEADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000743409057 1077048104 /nfs/dbraw/zinc/04/81/04/1077048104.db2.gz QYSQPLVTZOZTJK-IBGZPJMESA-N 1 0 400.523 2.235 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)c1ccco1 ZINC000743414620 1077049590 /nfs/dbraw/zinc/04/95/90/1077049590.db2.gz SJKYLYLBMBHIHJ-KRWDZBQOSA-N 1 0 400.479 2.119 20 0 HEADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000743485595 1077059406 /nfs/dbraw/zinc/05/94/06/1077059406.db2.gz LWBXNZFLWIYUHJ-SJLPKXTDSA-N 1 0 412.914 2.054 20 0 HEADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000743485596 1077059426 /nfs/dbraw/zinc/05/94/26/1077059426.db2.gz LWBXNZFLWIYUHJ-WMZOPIPTSA-N 1 0 412.914 2.054 20 0 HEADRO Cc1cccc(N2CC[NH+](CCCNC(=O)NC[C@@](C)(O)c3ccco3)CC2)c1 ZINC000743550941 1077067459 /nfs/dbraw/zinc/06/74/59/1077067459.db2.gz HNBQIHWZMOJHDO-JOCHJYFZSA-N 1 0 400.523 2.307 20 0 HEADRO C[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Oc1cccc(Br)c1 ZINC000743594670 1077078008 /nfs/dbraw/zinc/07/80/08/1077078008.db2.gz VVNBQEWBRLXQGK-UNEWFSDZSA-N 1 0 412.328 2.379 20 0 HEADRO CC(=O)N1C[C@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)Oc2ccccc21 ZINC000743644596 1077079626 /nfs/dbraw/zinc/07/96/26/1077079626.db2.gz KWJGGVNFTZMLRT-HXUWFJFHSA-N 1 0 410.474 2.329 20 0 HEADRO CN(C[C@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)OC(C)(C)C ZINC000743625621 1077082236 /nfs/dbraw/zinc/08/22/36/1077082236.db2.gz FBYFKTVSMPYZQI-IEBWSBKVSA-N 1 0 423.602 2.196 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000743735364 1077104567 /nfs/dbraw/zinc/10/45/67/1077104567.db2.gz LDPBJYAQUMVHJT-OAHLLOKOSA-N 1 0 407.923 2.334 20 0 HEADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000743782610 1077111978 /nfs/dbraw/zinc/11/19/78/1077111978.db2.gz WUGOWUCHOHYVAK-SFHVURJKSA-N 1 0 422.533 2.372 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C/c1cncc(C(=O)NC)c1 ZINC000743783478 1077112720 /nfs/dbraw/zinc/11/27/20/1077112720.db2.gz ABKCNRFOZKDOAY-VMPITWQZSA-N 1 0 423.517 2.244 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(N3CCOC3=O)c2C)CC1=O ZINC000743786859 1077115649 /nfs/dbraw/zinc/11/56/49/1077115649.db2.gz RDLHUMVGUZTALO-IRXDYDNUSA-N 1 0 414.506 2.223 20 0 HEADRO CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000743842683 1077133089 /nfs/dbraw/zinc/13/30/89/1077133089.db2.gz LACSIBHGKCUKJQ-DLBZAZTESA-N 1 0 411.543 2.119 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000743846617 1077148547 /nfs/dbraw/zinc/14/85/47/1077148547.db2.gz RJSYODGRTUVCPQ-FHWLQOOXSA-N 1 0 405.539 2.213 20 0 HEADRO CC[NH+](CC)[C@@H]1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)C1 ZINC000743867121 1077153502 /nfs/dbraw/zinc/15/35/02/1077153502.db2.gz MZKRQIWEMBGZPO-YLJYHZDGSA-N 1 0 400.523 2.226 20 0 HEADRO CN(CC(=O)NC1CCC2(CC1)OCCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743874156 1077156535 /nfs/dbraw/zinc/15/65/35/1077156535.db2.gz USYAKOBUZPPQLB-HXUWFJFHSA-N 1 0 401.551 2.242 20 0 HEADRO COc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1N1CCOC1=O ZINC000743875605 1077158031 /nfs/dbraw/zinc/15/80/31/1077158031.db2.gz PXLTXNBJRSUUBG-UHFFFAOYSA-N 1 0 418.494 2.016 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000743878055 1077160479 /nfs/dbraw/zinc/16/04/79/1077160479.db2.gz WVIBSMZNBJFAPD-INIZCTEOSA-N 1 0 416.503 2.371 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743880557 1077163154 /nfs/dbraw/zinc/16/31/54/1077163154.db2.gz RASQBRVRKJCUDX-SFHVURJKSA-N 1 0 422.485 2.281 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000743889375 1077183123 /nfs/dbraw/zinc/18/31/23/1077183123.db2.gz NLIWULUUQTXGTD-UHFFFAOYSA-N 1 0 424.501 2.481 20 0 HEADRO O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000743862155 1077185223 /nfs/dbraw/zinc/18/52/23/1077185223.db2.gz FGDCMZGKUCHESX-PMACEKPBSA-N 1 0 420.579 2.162 20 0 HEADRO O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000743862157 1077185374 /nfs/dbraw/zinc/18/53/74/1077185374.db2.gz FGDCMZGKUCHESX-VQTJNVASSA-N 1 0 420.579 2.162 20 0 HEADRO Cc1ccnc(Oc2cc(NC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)ccc2C)c1 ZINC000743913977 1077192629 /nfs/dbraw/zinc/19/26/29/1077192629.db2.gz JFTNGHZESYITQH-MOPGFXCFSA-N 1 0 424.501 2.409 20 0 HEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000743917747 1077198132 /nfs/dbraw/zinc/19/81/32/1077198132.db2.gz RPWDMTIICJEMGU-IAGOWNOFSA-N 1 0 402.539 2.229 20 0 HEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)CC1 ZINC000743917533 1077198776 /nfs/dbraw/zinc/19/87/76/1077198776.db2.gz REKNJMHTCYMXGR-UHFFFAOYSA-N 1 0 404.511 2.250 20 0 HEADRO Cc1c(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cccc1N1CCOC1=O ZINC000743890137 1077200377 /nfs/dbraw/zinc/20/03/77/1077200377.db2.gz ZRIYVDWIKSVEDW-UHFFFAOYSA-N 1 0 414.506 2.367 20 0 HEADRO Cc1c(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cccc1N1CCOC1=O ZINC000743894931 1077207255 /nfs/dbraw/zinc/20/72/55/1077207255.db2.gz WDQBVZFDBMUQLX-SFHVURJKSA-N 1 0 402.495 2.127 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000743897143 1077209119 /nfs/dbraw/zinc/20/91/19/1077209119.db2.gz NMARJZPIWNEWDU-GOEBONIOSA-N 1 0 402.495 2.127 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000743898213 1077210781 /nfs/dbraw/zinc/21/07/81/1077210781.db2.gz RLPMXYDNQJGVLF-BFYDXBDKSA-N 1 0 416.522 2.373 20 0 HEADRO Cc1c(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cccc1N1CCOC1=O ZINC000743907457 1077220355 /nfs/dbraw/zinc/22/03/55/1077220355.db2.gz SAOYOVQDPBXFTE-QGZVFWFLSA-N 1 0 414.506 2.367 20 0 HEADRO O=C(Nc1ccccc1SC(F)(F)F)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000743944176 1077238535 /nfs/dbraw/zinc/23/85/35/1077238535.db2.gz HRWCZLJXZYKRFE-ZDUSSCGKSA-N 1 0 417.453 2.418 20 0 HEADRO CCCOc1cc(C)ccc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743945608 1077239354 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O=C(COC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)NC(=O)c1cccs1 ZINC000785709769 1080218813 /nfs/dbraw/zinc/21/88/13/1080218813.db2.gz OHMZPMYRTLOCPL-UHFFFAOYSA-N 1 0 416.499 2.066 20 0 HEADRO CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000785712324 1080220438 /nfs/dbraw/zinc/22/04/38/1080220438.db2.gz HXQLJRILEZHTPU-IBGZPJMESA-N 1 0 402.491 2.241 20 0 HEADRO NC(=O)[C@@H](Cc1ccc(F)cc1)OC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785713334 1080221607 /nfs/dbraw/zinc/22/16/07/1080221607.db2.gz LLCIDPYAKNQZKF-OAQYLSRUSA-N 1 0 414.477 2.283 20 0 HEADRO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCCC[C@H](CCOC)C2)C1=O ZINC000767938508 1080231786 /nfs/dbraw/zinc/23/17/86/1080231786.db2.gz DEFHCQYJTPZUGU-VGSWGCGISA-N 1 0 416.522 2.014 20 0 HEADRO O=C(NCCNc1ccc(C(F)(F)F)cn1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000767943525 1080236369 /nfs/dbraw/zinc/23/63/69/1080236369.db2.gz OUQKKXLOQUOAQH-JKSUJKDBSA-N 1 0 415.460 2.189 20 0 HEADRO CC(C)(C)OC(=O)N(CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000767944756 1080236425 /nfs/dbraw/zinc/23/64/25/1080236425.db2.gz JOJSXZFAZLLOBS-ROUUACIJSA-N 1 0 410.559 2.063 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000785769186 1080239052 /nfs/dbraw/zinc/23/90/52/1080239052.db2.gz IHXSQTLYWAFZKL-INIZCTEOSA-N 1 0 406.502 2.379 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3COc4ccccc43)cc2)CC1 ZINC000785778687 1080242238 /nfs/dbraw/zinc/24/22/38/1080242238.db2.gz XJSWOLIZBJUHIS-HXUWFJFHSA-N 1 0 409.486 2.486 20 0 HEADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000785840010 1080267006 /nfs/dbraw/zinc/26/70/06/1080267006.db2.gz XCEWJHUATQFKAE-RQNDZEIBSA-N 1 0 409.483 2.044 20 0 HEADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CC3(Cl)Cl)c2)CC1 ZINC000768012617 1080280964 /nfs/dbraw/zinc/28/09/64/1080280964.db2.gz XQWHEBZQNYABQG-CQSZACIVSA-N 1 0 413.349 2.466 20 0 HEADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[NH+](C)C ZINC000785857152 1080284411 /nfs/dbraw/zinc/28/44/11/1080284411.db2.gz OKAPVSJXSAEMGA-NDXORKPFSA-N 1 0 407.518 2.223 20 0 HEADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000768029367 1080294039 /nfs/dbraw/zinc/29/40/39/1080294039.db2.gz XNEZYAAVNXGTRT-UHFFFAOYSA-N 1 0 405.502 2.444 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000768071217 1080295540 /nfs/dbraw/zinc/29/55/40/1080295540.db2.gz OZSPMHLIVOPUSW-HUUCEWRRSA-N 1 0 402.322 2.361 20 0 HEADRO Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000785984041 1080345016 /nfs/dbraw/zinc/34/50/16/1080345016.db2.gz CBWBHKLJQPKYNK-MRXNPFEDSA-N 1 0 400.523 2.064 20 0 HEADRO CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)cc2O1 ZINC000785986440 1080347045 /nfs/dbraw/zinc/34/70/45/1080347045.db2.gz AKGBTVRWAHWJLX-VGSWGCGISA-N 1 0 417.506 2.282 20 0 HEADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768146034 1080353888 /nfs/dbraw/zinc/35/38/88/1080353888.db2.gz PYJJJZGDYKWFLL-UHFFFAOYSA-N 1 0 403.708 2.236 20 0 HEADRO CC[C@@]1(CO)CCCN1C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000786002817 1080362965 /nfs/dbraw/zinc/36/29/65/1080362965.db2.gz LSLWPYKQQHNMJL-QHCPKHFHSA-N 1 0 416.566 2.167 20 0 HEADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)c1 ZINC000786005532 1080367584 /nfs/dbraw/zinc/36/75/84/1080367584.db2.gz BWKIAROMJISSIX-UHFFFAOYSA-N 1 0 420.517 2.042 20 0 HEADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC000786006001 1080369265 /nfs/dbraw/zinc/36/92/65/1080369265.db2.gz LNPOLZYPVTXCCA-KRWDZBQOSA-N 1 0 420.517 2.129 20 0 HEADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)[NH2+]C1CC(C)(C)N(O)C(C)(C)C1)C(N)=O ZINC001169987915 1080381718 /nfs/dbraw/zinc/38/17/18/1080381718.db2.gz GNTLWVWGOWXXAH-HOTGVXAUSA-N 1 0 416.632 2.125 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)C1 ZINC000746571243 1080382244 /nfs/dbraw/zinc/38/22/44/1080382244.db2.gz UWIGMCWSOARIAI-HZQOKBKYSA-N 1 0 416.501 2.078 20 0 HEADRO CC(C)(C)OC(=O)NC1(CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000786084390 1080387490 /nfs/dbraw/zinc/38/74/90/1080387490.db2.gz DSOPMTKKWUUQRW-UHFFFAOYSA-N 1 0 422.570 2.073 20 0 HEADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CCCC2(C1)OCCO2 ZINC000768200144 1080391195 /nfs/dbraw/zinc/39/11/95/1080391195.db2.gz GNHPRAHVKWQGCK-LJQANCHMSA-N 1 0 402.539 2.184 20 0 HEADRO C[C@H]1CCCC[C@H]1OCCNC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786095400 1080391254 /nfs/dbraw/zinc/39/12/54/1080391254.db2.gz DHOZDXTXSBQGMP-RBUKOAKNSA-N 1 0 410.555 2.276 20 0 HEADRO CS(=O)(=O)c1cccc(OCCOC(=O)CC2([NH+]3CCOCC3)CCCC2)c1 ZINC000786096080 1080392005 /nfs/dbraw/zinc/39/20/05/1080392005.db2.gz NAZUVLRNCNOISR-UHFFFAOYSA-N 1 0 411.520 2.047 20 0 HEADRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768201145 1080392039 /nfs/dbraw/zinc/39/20/39/1080392039.db2.gz UAXCZCLSSOIZAJ-RCZSKKKRSA-N 1 0 414.502 2.442 20 0 HEADRO C[C@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000786097457 1080392833 /nfs/dbraw/zinc/39/28/33/1080392833.db2.gz JDQVWCPUUUTNPH-AWEZNQCLSA-N 1 0 416.478 2.174 20 0 HEADRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768203094 1080394109 /nfs/dbraw/zinc/39/41/09/1080394109.db2.gz YWEAVCQFEHHIQH-YLJYHZDGSA-N 1 0 422.489 2.178 20 0 HEADRO C[C@@H]1NC(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000742949903 1080394887 /nfs/dbraw/zinc/39/48/87/1080394887.db2.gz UPVCHLMBOQMYMP-ICSRJNTNSA-N 1 0 419.529 2.305 20 0 HEADRO C[C@@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)NC(=O)NC1CCCCC1 ZINC000786107608 1080399974 /nfs/dbraw/zinc/39/99/74/1080399974.db2.gz YMUMNBXKFIQSRK-MRXNPFEDSA-N 1 0 409.527 2.112 20 0 HEADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786112887 1080404834 /nfs/dbraw/zinc/40/48/34/1080404834.db2.gz JCPFGNNQHLDODM-MRXNPFEDSA-N 1 0 404.511 2.248 20 0 HEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000768193149 1080408772 /nfs/dbraw/zinc/40/87/72/1080408772.db2.gz WLGUKMZAKFGEGA-KOLCDFICSA-N 1 0 403.708 2.425 20 0 HEADRO CC(C)([NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C1CCOCC1 ZINC000786148749 1080424712 /nfs/dbraw/zinc/42/47/12/1080424712.db2.gz MBCCAGWVAOKZSO-GOSISDBHSA-N 1 0 400.585 2.130 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)Cc1ccccc1C ZINC000786158597 1080431959 /nfs/dbraw/zinc/43/19/59/1080431959.db2.gz QPPWLRABNLLFBE-DLBZAZTESA-N 1 0 411.955 2.206 20 0 HEADRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768236876 1080436994 /nfs/dbraw/zinc/43/69/94/1080436994.db2.gz FWGJGEDYOKKGBX-RJJVWVDVSA-N 1 0 404.507 2.340 20 0 HEADRO CC(C)(C)OC(=O)NCCN(CCO)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000768247363 1080438123 /nfs/dbraw/zinc/43/81/23/1080438123.db2.gz HNKKRMPTLDIELJ-IBGZPJMESA-N 1 0 420.554 2.180 20 0 HEADRO COC1CC[NH+](C2(CNC(=O)c3ccc(F)c(S(C)(=O)=O)c3)CCCC2)CC1 ZINC000786122332 1080439450 /nfs/dbraw/zinc/43/94/50/1080439450.db2.gz NWKVKMGLTRSHTJ-UHFFFAOYSA-N 1 0 412.527 2.383 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)Cc3ccc(S(=O)(=O)C(F)F)cc3)n2)CC1 ZINC000786196581 1080468109 /nfs/dbraw/zinc/46/81/09/1080468109.db2.gz GOMBGIXDQKYKAF-UHFFFAOYSA-N 1 0 412.462 2.327 20 0 HEADRO C[C@@H]1[C@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786201117 1080470125 /nfs/dbraw/zinc/47/01/25/1080470125.db2.gz GJSDHEXERXVXDM-LXKKFAQKSA-N 1 0 420.598 2.401 20 0 HEADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000768326057 1080486481 /nfs/dbraw/zinc/48/64/81/1080486481.db2.gz LEHDSQTYKKEEHJ-OAHLLOKOSA-N 1 0 423.439 2.418 20 0 HEADRO COc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)CCO2 ZINC000768330122 1080489291 /nfs/dbraw/zinc/48/92/91/1080489291.db2.gz IXZAVEQHWMVFGV-SFHVURJKSA-N 1 0 424.501 2.026 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000786257446 1080497336 /nfs/dbraw/zinc/49/73/36/1080497336.db2.gz PWIZYYGBXDCQSJ-FQEVSTJZSA-N 1 0 423.517 2.413 20 0 HEADRO O=C(NCCCO)C1CC[NH+](Cc2ccccc2I)CC1 ZINC000768314003 1080499484 /nfs/dbraw/zinc/49/94/84/1080499484.db2.gz KEVZLQWNDUBGTE-UHFFFAOYSA-N 1 0 402.276 2.002 20 0 HEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000786260830 1080500330 /nfs/dbraw/zinc/50/03/30/1080500330.db2.gz PFMJNLPVMHMQLF-KNQAVFIVSA-N 1 0 415.440 2.211 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(CCC(=O)OC)c2)CC1=O ZINC000786218462 1080504016 /nfs/dbraw/zinc/50/40/16/1080504016.db2.gz HBCSPMOSXRMHPJ-HKUYNNGSSA-N 1 0 401.507 2.064 20 0 HEADRO C[NH+](C)CCc1ccc(CNC(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000786228895 1080508061 /nfs/dbraw/zinc/50/80/61/1080508061.db2.gz UTRMJLZVKNFWEF-UHFFFAOYSA-N 1 0 405.539 2.433 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000768401970 1080525953 /nfs/dbraw/zinc/52/59/53/1080525953.db2.gz OUJGNOXHQBEGCL-IBGZPJMESA-N 1 0 424.586 2.129 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCC(O)(c2ccccc2)CC1 ZINC000768408508 1080529287 /nfs/dbraw/zinc/52/92/87/1080529287.db2.gz OIHWAKHFIAWMGI-SFTDATJTSA-N 1 0 401.551 2.448 20 0 HEADRO CC(C)(C)OC(=O)NCCN(CCO)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000768389381 1080538559 /nfs/dbraw/zinc/53/85/59/1080538559.db2.gz NZWRVLRBVKGSQF-UHFFFAOYSA-N 1 0 412.575 2.312 20 0 HEADRO C[C@@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000768425868 1080547061 /nfs/dbraw/zinc/54/70/61/1080547061.db2.gz NJUICSDVWRQBES-IAGOWNOFSA-N 1 0 412.575 2.168 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000786305300 1080547473 /nfs/dbraw/zinc/54/74/73/1080547473.db2.gz DWOYLYZFZXJPAV-IBGZPJMESA-N 1 0 401.507 2.208 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000786267311 1080550335 /nfs/dbraw/zinc/55/03/35/1080550335.db2.gz NGCKXILAPQXOEF-OALUTQOASA-N 1 0 401.511 2.024 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000786341366 1080551583 /nfs/dbraw/zinc/55/15/83/1080551583.db2.gz FBJDXGDLXSHIDV-GOSISDBHSA-N 1 0 401.507 2.065 20 0 HEADRO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)OCC[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC000786313282 1080558004 /nfs/dbraw/zinc/55/80/04/1080558004.db2.gz QVWSGPJZBBYDET-INIZCTEOSA-N 1 0 413.540 2.300 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000786324834 1080562574 /nfs/dbraw/zinc/56/25/74/1080562574.db2.gz KDLSPFLGDHAZEH-MRXNPFEDSA-N 1 0 416.522 2.057 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)CC1 ZINC000786330082 1080564465 /nfs/dbraw/zinc/56/44/65/1080564465.db2.gz BTVOXURSQHMYAL-FQEVSTJZSA-N 1 0 405.514 2.087 20 0 HEADRO Cc1nc(Cn2nnc(C(=O)OCC3CC[NH+](Cc4ccccc4)CC3)c2C)no1 ZINC000786361329 1080570050 /nfs/dbraw/zinc/57/00/50/1080570050.db2.gz UUYSJJPGWDWRRU-UHFFFAOYSA-N 1 0 410.478 2.395 20 0 HEADRO COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCC[C@@H]1c1ccccc1)C2 ZINC001109303144 1080584219 /nfs/dbraw/zinc/58/42/19/1080584219.db2.gz HSUFOJXBGVIVHH-YXIAPDDASA-N 1 0 402.535 2.191 20 0 HEADRO C[C@H](CNC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)[NH+]1CCCCC1 ZINC000786410082 1080589382 /nfs/dbraw/zinc/58/93/82/1080589382.db2.gz PWDRAUYXHYFSKL-QGZVFWFLSA-N 1 0 424.586 2.321 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000786419799 1080593516 /nfs/dbraw/zinc/59/35/16/1080593516.db2.gz JCMNPOHVHCDEDP-LAUBAEHRSA-N 1 0 423.513 2.367 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000786423740 1080595337 /nfs/dbraw/zinc/59/53/37/1080595337.db2.gz ZSTZSMKLNURVRO-OAQYLSRUSA-N 1 0 423.513 2.464 20 0 HEADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@H]3CC34CCOCC4)CC2)cc1 ZINC000786439497 1080603079 /nfs/dbraw/zinc/60/30/79/1080603079.db2.gz ACOLRMUHXKVRDE-HXUWFJFHSA-N 1 0 400.519 2.389 20 0 HEADRO CO[C@H](C)[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000786442330 1080605500 /nfs/dbraw/zinc/60/55/00/1080605500.db2.gz 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ZINC000746476198 1079029917 /nfs/dbraw/zinc/02/99/17/1079029917.db2.gz VMQNWUNSVRRROS-SJLPKXTDSA-N 1 0 421.542 2.105 20 0 HEADRO COC(=O)C1(C)CCC(N2c3ccccc3CN([C@H]3CCC[NH2+]C3)S2(=O)=O)CC1 ZINC001168795560 1079037607 /nfs/dbraw/zinc/03/76/07/1079037607.db2.gz BFEWWVQWZSEWDZ-WBTXTPOCSA-N 1 0 421.563 2.427 20 0 HEADRO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000746482559 1079041232 /nfs/dbraw/zinc/04/12/32/1079041232.db2.gz PTCGOVKEFSATOD-HNNXBMFYSA-N 1 0 411.493 2.166 20 0 HEADRO C[C@H]1C[C@H](n2nc(C(=O)N3CCCC3)c3c2C[NH2+]CC3)CN1C(=O)OC(C)(C)C ZINC001168858812 1079055161 /nfs/dbraw/zinc/05/51/61/1079055161.db2.gz RHYSJKMCTVLSRY-GJZGRUSLSA-N 1 0 403.527 2.335 20 0 HEADRO CNS(=O)(=O)c1cc(NC(=O)CN(C)Cc2ccc(C[NH+](C)C)cc2)ccc1C ZINC001168836842 1079049988 /nfs/dbraw/zinc/04/99/88/1079049988.db2.gz HAJRFBMHTVRTPY-UHFFFAOYSA-N 1 0 418.563 2.035 20 0 HEADRO 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 ZINC001168861315 1079056028 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/nfs/dbraw/zinc/06/17/52/1079061752.db2.gz QVVOERFPZLYKLV-NNMXDRDESA-N 1 0 411.587 2.445 20 0 HEADRO 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 ZINC001168850005 1079061814 /nfs/dbraw/zinc/06/18/14/1079061814.db2.gz MUEJTHWTZNGWMO-QTVCLEQKSA-N 1 0 407.555 2.486 20 0 HEADRO C[Si](C)(C)CCOCn1nnc2ncc(-n3nnc(-c4cccc(C[NH3+])c4)n3)cc21 ZINC001168888201 1079062109 /nfs/dbraw/zinc/06/21/09/1079062109.db2.gz YIUMEOBUUMNOKN-UHFFFAOYSA-N 1 0 423.557 2.240 20 0 HEADRO CCC[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1CCOC ZINC000766533348 1079069082 /nfs/dbraw/zinc/06/90/82/1079069082.db2.gz HRGXFTCGZKVIOI-INIZCTEOSA-N 1 0 418.506 2.185 20 0 HEADRO CCC[C@H]1CN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC[N@@H+]1CCOC ZINC000766534798 1079070810 /nfs/dbraw/zinc/07/08/10/1079070810.db2.gz NSYBGSZCINVSAC-SFHVURJKSA-N 1 0 419.547 2.455 20 0 HEADRO C[C@H]1C[C@@H](NC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000766536381 1079071649 /nfs/dbraw/zinc/07/16/49/1079071649.db2.gz WIMFYPNTXBDFMR-STQMWFEESA-N 1 0 423.457 2.141 20 0 HEADRO CCOC(=O)C1(N[C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC[NH+](CC)CC1 ZINC001168910132 1079073069 /nfs/dbraw/zinc/07/30/69/1079073069.db2.gz RGIMJQWFLGYGQM-IBGZPJMESA-N 1 0 417.550 2.193 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]C3CCN(C(=O)c4ccccn4)CC3)CC2=O)cc1 ZINC001168910683 1079073185 /nfs/dbraw/zinc/07/31/85/1079073185.db2.gz YVBPDFAFARXPPX-FQEVSTJZSA-N 1 0 422.529 2.476 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCN(CC4CCOCC4)C3)CC2=O)cc1 ZINC001168916364 1079075036 /nfs/dbraw/zinc/07/50/36/1079075036.db2.gz RSHGEZDUORKEHR-NHCUHLMSSA-N 1 0 401.551 2.277 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]CC3CCN(c4cnccn4)CC3)CC2=O)cc1 ZINC001168916377 1079075089 /nfs/dbraw/zinc/07/50/89/1079075089.db2.gz RWBRRPRJPSKGHM-FQEVSTJZSA-N 1 0 409.534 2.482 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]CC3CCN(c4ccncn4)CC3)CC2=O)cc1 ZINC001168916764 1079075165 /nfs/dbraw/zinc/07/51/65/1079075165.db2.gz UNCMTZHOWMNLGI-HXUWFJFHSA-N 1 0 409.534 2.482 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](CN3C(=O)CCC3=O)C(C)(C)C)CC2=O)cc1 ZINC001168919737 1079075612 /nfs/dbraw/zinc/07/56/12/1079075612.db2.gz IRUCMAHHCWYWDX-IEBWSBKVSA-N 1 0 415.534 2.340 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(CCc4ccncc4)CC3)CC2=O)cc1 ZINC001168943466 1079081803 /nfs/dbraw/zinc/08/18/03/1079081803.db2.gz VYQICKAPGZKQKO-JOCHJYFZSA-N 1 0 408.546 2.442 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCC(NC(=O)N4CCCC4)CC3)CC2=O)cc1 ZINC001168953353 1079085681 /nfs/dbraw/zinc/08/56/81/1079085681.db2.gz IUZLJESVKKBOMJ-HXUWFJFHSA-N 1 0 414.550 2.456 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCC(NC(=O)c4ccccn4)CC3)CC2=O)cc1 ZINC001168953647 1079085756 /nfs/dbraw/zinc/08/57/56/1079085756.db2.gz KLHNWUWPHCJCBQ-FQEVSTJZSA-N 1 0 422.529 2.476 20 0 HEADRO COc1ccc(CN2CC[C@H](N3CCn4cc(C[NH+]5CCCC5)nc4C3)CC2=O)cc1 ZINC001168928377 1079087046 /nfs/dbraw/zinc/08/70/46/1079087046.db2.gz CBLQJDZYWBJASU-NRFANRHFSA-N 1 0 423.561 2.494 20 0 HEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccn(CCCNC(=O)OC(C)(C)C)n3)C[C@@]2(C)C1 ZINC001168929052 1079087628 /nfs/dbraw/zinc/08/76/28/1079087628.db2.gz FJRCNKNYGHTDFQ-OYRHEFFESA-N 1 0 405.543 2.212 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(c4ccnc(OC)c4)CC3)CC2=O)cc1 ZINC001168954998 1079089846 /nfs/dbraw/zinc/08/98/46/1079089846.db2.gz PGOYRFNEPUHTTE-FQEVSTJZSA-N 1 0 410.518 2.412 20 0 HEADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001169041956 1079108334 /nfs/dbraw/zinc/10/83/34/1079108334.db2.gz UHBPRQDWFPDKTG-SLFFLAALSA-N 1 0 405.564 2.066 20 0 HEADRO COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC001169072941 1079124858 /nfs/dbraw/zinc/12/48/58/1079124858.db2.gz PVJSSZRANIPLLC-CQSZACIVSA-N 1 0 400.431 2.314 20 0 HEADRO COc1ccccc1C[C@@](C)(CO)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC001169094765 1079127557 /nfs/dbraw/zinc/12/75/57/1079127557.db2.gz SMGNSEVQVRFJID-DEOSSOPVSA-N 1 0 411.546 2.166 20 0 HEADRO C[C@H]1CN(c2ccc(N[C@@H](Cc3ccc(O)cc3)C(=O)OC(C)(C)C)nn2)CC[NH2+]1 ZINC001169104346 1079130520 /nfs/dbraw/zinc/13/05/20/1079130520.db2.gz SQTKPVSBFAXOIA-YJBOKZPZSA-N 1 0 413.522 2.345 20 0 HEADRO COC(=O)[C@](C)(N)Cc1cn(-c2nc(C)cc(OC3CC[NH2+]CC3)n2)c2ccccc12 ZINC001169105819 1079131695 /nfs/dbraw/zinc/13/16/95/1079131695.db2.gz JYRNVMUZXDCKBO-HSZRJFAPSA-N 1 0 423.517 2.293 20 0 HEADRO 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 ZINC000766584230 1079134172 /nfs/dbraw/zinc/13/41/72/1079134172.db2.gz SGDMLZGRQRJHBV-TWFHAPMSSA-N 1 0 414.550 2.181 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC[C@H]21 ZINC000766584901 1079135023 /nfs/dbraw/zinc/13/50/23/1079135023.db2.gz OVDHQNFHWSOMDO-MAUKXSAKSA-N 1 0 400.523 2.096 20 0 HEADRO CCOCCC1(CNC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CCC1 ZINC000766585571 1079136189 /nfs/dbraw/zinc/13/61/89/1079136189.db2.gz XJTDCLGTUNGIDW-UHFFFAOYSA-N 1 0 416.566 2.480 20 0 HEADRO COC(=O)[C@](C)(N)Cc1cn(-c2ccc3c(C4C[NH2+]C4)ncn3c2)c2ccccc12 ZINC001169116633 1079140790 /nfs/dbraw/zinc/14/07/90/1079140790.db2.gz YOHFKMKGKPZEAI-HSZRJFAPSA-N 1 0 403.486 2.398 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCC(CCC[NH+](C)C)CC3)cc2)CCO1 ZINC000766598015 1079143985 /nfs/dbraw/zinc/14/39/85/1079143985.db2.gz YCOXHSWSWAXZPA-GOSISDBHSA-N 1 0 416.566 2.431 20 0 HEADRO CCCN(CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000804309298 1079146607 /nfs/dbraw/zinc/14/66/07/1079146607.db2.gz ZQPQCSMEWADMSM-SFHVURJKSA-N 1 0 424.586 2.227 20 0 HEADRO CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169129886 1079150750 /nfs/dbraw/zinc/15/07/50/1079150750.db2.gz LHGANGVGFINBLD-VLVHOKLOSA-N 1 0 411.550 2.276 20 0 HEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771105810 1079154604 /nfs/dbraw/zinc/15/46/04/1079154604.db2.gz ZGMZKFRLKNUEHF-ZUOKHONESA-N 1 0 424.904 2.237 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771112891 1079158173 /nfs/dbraw/zinc/15/81/73/1079158173.db2.gz BBNSNHJJVFXVQX-ZUOKHONESA-N 1 0 424.904 2.237 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771112889 1079158288 /nfs/dbraw/zinc/15/82/88/1079158288.db2.gz BBNSNHJJVFXVQX-XCLFUZPHSA-N 1 0 424.904 2.237 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CC2(C)CCOCC2)C[C@H]1C(=O)N1CCSC1 ZINC001170022060 1079164593 /nfs/dbraw/zinc/16/45/93/1079164593.db2.gz MNLMCHRSIPONKH-CVEARBPZSA-N 1 0 413.584 2.304 20 0 HEADRO C[C@H]1CCC[N@H+](CCNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771115926 1079159508 /nfs/dbraw/zinc/15/95/08/1079159508.db2.gz SBSMREYHNSVYHV-RBZFPXEDSA-N 1 0 424.904 2.094 20 0 HEADRO C[C@@H]([NH3+])c1nc2ccccc2n1[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169161482 1079170467 /nfs/dbraw/zinc/17/04/67/1079170467.db2.gz DDMZNENUIFRQDW-LSDHHAIUSA-N 1 0 423.521 2.235 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc(F)c(F)c1 ZINC001169162544 1079171942 /nfs/dbraw/zinc/17/19/42/1079171942.db2.gz USUHAIZSPPIUFG-ZDUSSCGKSA-N 1 0 405.449 2.061 20 0 HEADRO COc1ccc([C@@H](C)[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC001169164593 1079172995 /nfs/dbraw/zinc/17/29/95/1079172995.db2.gz WFSKNBIRZVOLRE-HZPDHXFCSA-N 1 0 413.522 2.352 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1CCC(F)(F)CC1 ZINC001169167315 1079175845 /nfs/dbraw/zinc/17/58/45/1079175845.db2.gz GBODUKLOPSTJMR-CQSZACIVSA-N 1 0 411.497 2.408 20 0 HEADRO C[C@H]([NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)c1cncnc1 ZINC001170022259 1079177725 /nfs/dbraw/zinc/17/77/25/1079177725.db2.gz PDBVFFNQQBXGFY-BPUTZDHNSA-N 1 0 407.540 2.038 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C(C)(C)CC1CCOCC1 ZINC001169189380 1079178433 /nfs/dbraw/zinc/17/84/33/1079178433.db2.gz FGBWURZALFHRDM-INIZCTEOSA-N 1 0 419.570 2.177 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001169190682 1079179005 /nfs/dbraw/zinc/17/90/05/1079179005.db2.gz JIIZNYWTXYEWPA-GJZGRUSLSA-N 1 0 411.497 2.360 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001169201893 1079183505 /nfs/dbraw/zinc/18/35/05/1079183505.db2.gz MTDYRZXZFTURFA-KBPBESRZSA-N 1 0 415.460 2.267 20 0 HEADRO C[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccc(F)c1 ZINC001169170982 1079186135 /nfs/dbraw/zinc/18/61/35/1079186135.db2.gz BYQQLIABEKWHRB-LSDHHAIUSA-N 1 0 401.486 2.482 20 0 HEADRO CCCC[C@@H](CO)[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170022439 1079186397 /nfs/dbraw/zinc/18/63/97/1079186397.db2.gz PMLPKXBHFUGYFT-JYJNAYRXSA-N 1 0 401.573 2.038 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCOc1ccccc1 ZINC001169172479 1079186671 /nfs/dbraw/zinc/18/66/71/1079186671.db2.gz PPNIAPPLNJFNKN-QGZVFWFLSA-N 1 0 413.522 2.051 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1c(F)cc(F)cc1F ZINC001169173061 1079188231 /nfs/dbraw/zinc/18/82/31/1079188231.db2.gz YIHKIBLEHDMZDK-GFCCVEGCSA-N 1 0 423.439 2.200 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(c2cccc(F)c2)CC1 ZINC001169174517 1079189128 /nfs/dbraw/zinc/18/91/28/1079189128.db2.gz JPBIPIJURAZUGL-OAHLLOKOSA-N 1 0 413.497 2.411 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](c1ccccn1)C1CC1 ZINC001169175267 1079190116 /nfs/dbraw/zinc/19/01/16/1079190116.db2.gz LJMDJRORPHPMEU-QAPCUYQASA-N 1 0 410.522 2.128 20 0 HEADRO CC(C)[C@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccnc1 ZINC001169178561 1079191814 /nfs/dbraw/zinc/19/18/14/1079191814.db2.gz ZFSSCQPKFHFMBQ-AEFFLSMTSA-N 1 0 412.538 2.374 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1ccc2cc(CC[NH3+])ccc21 ZINC001169180460 1079193231 /nfs/dbraw/zinc/19/32/31/1079193231.db2.gz GBNYXKJWVWZFFG-INIZCTEOSA-N 1 0 422.533 2.321 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1csc(Cl)c1 ZINC001169181277 1079193809 /nfs/dbraw/zinc/19/38/09/1079193809.db2.gz NSXORGZAXNEVBC-LBPRGKRZSA-N 1 0 409.943 2.497 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccc2ccncc21 ZINC001169181227 1079193924 /nfs/dbraw/zinc/19/39/24/1079193924.db2.gz MTICTZBCEUXQDI-MRXNPFEDSA-N 1 0 420.517 2.331 20 0 HEADRO C[C@H](COc1ccccc1)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181218 1079193945 /nfs/dbraw/zinc/19/39/45/1079193945.db2.gz MMIKXVVEONKEOE-DLBZAZTESA-N 1 0 413.522 2.050 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CCc1cccc(F)c1 ZINC001169213828 1079198143 /nfs/dbraw/zinc/19/81/43/1079198143.db2.gz UWZVMJIGKYZWEP-INIZCTEOSA-N 1 0 415.513 2.306 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2cc(F)ccc2C1 ZINC001169213788 1079198271 /nfs/dbraw/zinc/19/82/71/1079198271.db2.gz UIDPQQDBVOUMDD-HNNXBMFYSA-N 1 0 413.497 2.190 20 0 HEADRO C[C@H]([NH3+])c1ccn(-c2ccc(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn2)n1 ZINC001169231264 1079204215 /nfs/dbraw/zinc/20/42/15/1079204215.db2.gz GZCUEVRIXZMKBV-LBPRGKRZSA-N 1 0 403.483 2.449 20 0 HEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccnn2CC2CC2)[C@H]1c1cccs1 ZINC000746421672 1079204940 /nfs/dbraw/zinc/20/49/40/1079204940.db2.gz ZWGWPVGFTWGWKQ-YJBOKZPZSA-N 1 0 401.536 2.492 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(CN3C(=O)N[C@](C)(C4CCCCC4)C3=O)CC2)CC1 ZINC000771172747 1079207869 /nfs/dbraw/zinc/20/78/69/1079207869.db2.gz FNDFEYFQASKRII-HSZRJFAPSA-N 1 0 419.614 2.325 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771175038 1079210075 /nfs/dbraw/zinc/21/00/75/1079210075.db2.gz KJKPOYKJDJOFJE-JLTOFOAXSA-N 1 0 424.904 2.237 20 0 HEADRO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000746435714 1079210754 /nfs/dbraw/zinc/21/07/54/1079210754.db2.gz HEZIOZBTQGLZPG-UHFFFAOYSA-N 1 0 410.522 2.178 20 0 HEADRO 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CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000766804898 1079390766 /nfs/dbraw/zinc/39/07/66/1079390766.db2.gz JGBXNONOYBWTFG-CYBMUJFWSA-N 1 0 423.457 2.142 20 0 HEADRO Cn1cc([C@H]2CC(=O)NC23CC[NH+]([C@@H]2CCCN(C(=O)c4ccccc4)C2)CC3)cn1 ZINC001169775164 1079396080 /nfs/dbraw/zinc/39/60/80/1079396080.db2.gz ZVIWDEHIMKJDOV-NHCUHLMSSA-N 1 0 421.545 2.163 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)CC1=O ZINC001169777646 1079396725 /nfs/dbraw/zinc/39/67/25/1079396725.db2.gz FUWVMXRDNUJXTA-LZLYRXPVSA-N 1 0 412.534 2.428 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@H](N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001169769386 1079402814 /nfs/dbraw/zinc/40/28/14/1079402814.db2.gz GKIOQJQXOVGBKH-MYGLTJDJSA-N 1 0 421.545 2.212 20 0 HEADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2CCCN(C(=O)c3ccccc3)C2)cn1 ZINC001169769524 1079403366 /nfs/dbraw/zinc/40/33/66/1079403366.db2.gz HVTTVCZQUVCKGJ-NJYVYQBISA-N 1 0 407.518 2.014 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@@H](N(C[C@@H]2OC[C@@H]3C[NH2+]CC[C@H]23)c2ncccn2)C1 ZINC001169770765 1079404069 /nfs/dbraw/zinc/40/40/69/1079404069.db2.gz LEMVUBMLTKQIHD-LRSLUSHPSA-N 1 0 421.545 2.212 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)C1 ZINC001169771632 1079406157 /nfs/dbraw/zinc/40/61/57/1079406157.db2.gz JZPSZSIRRRKYER-XXBNENTESA-N 1 0 405.502 2.210 20 0 HEADRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000766833102 1079417631 /nfs/dbraw/zinc/41/76/31/1079417631.db2.gz NBIPXUIWQJKTIF-CYBMUJFWSA-N 1 0 423.457 2.095 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@@H]([NH+]2CCC(N3CCCCS3(=O)=O)CC2)C1 ZINC001169783232 1079417721 /nfs/dbraw/zinc/41/77/21/1079417721.db2.gz BVCBOTKQCGSLBR-HXUWFJFHSA-N 1 0 405.564 2.181 20 0 HEADRO CCOc1ccccc1OCCNc1cccc(N2CCN(S(C)(=O)=O)CC2)[nH+]1 ZINC001169788871 1079420973 /nfs/dbraw/zinc/42/09/73/1079420973.db2.gz YVMYNUSTTYLTMP-UHFFFAOYSA-N 1 0 420.535 2.053 20 0 HEADRO CCOC(=O)CC[NH+](CCC(=O)OCC)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169791541 1079421644 /nfs/dbraw/zinc/42/16/44/1079421644.db2.gz SPGPACJYPVDDOT-LJQANCHMSA-N 1 0 404.507 2.500 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000771655584 1079426660 /nfs/dbraw/zinc/42/66/60/1079426660.db2.gz BDGDIEHRRDQDQN-AWEZNQCLSA-N 1 0 422.986 2.029 20 0 HEADRO Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000771658318 1079427606 /nfs/dbraw/zinc/42/76/06/1079427606.db2.gz QZXBXVLVWDMSNI-KRWDZBQOSA-N 1 0 416.595 2.075 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000771662963 1079432821 /nfs/dbraw/zinc/43/28/21/1079432821.db2.gz HTZGXPWXWDEYRD-UHFFFAOYSA-N 1 0 419.570 2.252 20 0 HEADRO O=C(CNC(=O)c1cccc(C(=O)N2CCCCC2)c1)NCC[NH+]1CCCCCC1 ZINC001129347379 1079434247 /nfs/dbraw/zinc/43/42/47/1079434247.db2.gz XVFNHGAPIBWECH-UHFFFAOYSA-N 1 0 414.550 2.035 20 0 HEADRO C[NH+](C)CC1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766845128 1079434925 /nfs/dbraw/zinc/43/49/25/1079434925.db2.gz CJSQMUIQASGITC-HXUWFJFHSA-N 1 0 423.579 2.391 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CO[C@H]2C[NH2+]C2CCC(S(C)(=O)=O)CC2)C1 ZINC001169851819 1079447324 /nfs/dbraw/zinc/44/73/24/1079447324.db2.gz LNHNUWIUJYFCPK-BNGPMPHDSA-N 1 0 416.584 2.204 20 0 HEADRO CS(=O)(=O)C1CCC([NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)CC1 ZINC001169882345 1079456297 /nfs/dbraw/zinc/45/62/97/1079456297.db2.gz LWCDCOISPVLAIZ-UHFFFAOYSA-N 1 0 406.548 2.240 20 0 HEADRO CCOC(=O)C1CCN(C2CC[NH+](C3CCC(S(C)(=O)=O)CC3)CC2)CC1 ZINC001169884171 1079457678 /nfs/dbraw/zinc/45/76/78/1079457678.db2.gz ZGJJOMUQVYGVSX-UHFFFAOYSA-N 1 0 400.585 2.082 20 0 HEADRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@H+](C3CCC(S(C)(=O)=O)CC3)C[C@@H]21 ZINC001169885354 1079458792 /nfs/dbraw/zinc/45/87/92/1079458792.db2.gz RIEYIRQOHUNNON-URPVSJSNSA-N 1 0 405.564 2.384 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@H]2[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169865316 1079462438 /nfs/dbraw/zinc/46/24/38/1079462438.db2.gz FCUASSPGGRRAGR-FCJNSDPXSA-N 1 0 402.557 2.100 20 0 HEADRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000771748395 1079478890 /nfs/dbraw/zinc/47/88/90/1079478890.db2.gz VOWPSCIBVUXHKE-SJORKVTESA-N 1 0 417.554 2.303 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755527 1079484661 /nfs/dbraw/zinc/48/46/61/1079484661.db2.gz FOUARNOBRXPWEV-PKOBYXMFSA-N 1 0 404.555 2.252 20 0 HEADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC001169924647 1079485933 /nfs/dbraw/zinc/48/59/33/1079485933.db2.gz QGPBDBCAFMPOLU-TZBSWOFLSA-N 1 0 421.541 2.179 20 0 HEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000737299144 1075900949 /nfs/dbraw/zinc/90/09/49/1075900949.db2.gz LZXROYXEAAJEPI-AWEZNQCLSA-N 1 0 401.479 2.293 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771757502 1079487276 /nfs/dbraw/zinc/48/72/76/1079487276.db2.gz UILVWKUQYUEFLH-RTBURBONSA-N 1 0 404.555 2.395 20 0 HEADRO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+]([C@@H]1CCCC3(C1)OCCO3)C2 ZINC001169946062 1079488383 /nfs/dbraw/zinc/48/83/83/1079488383.db2.gz UCPJUBHKNWCSJP-IFMALSPDSA-N 1 0 413.518 2.012 20 0 HEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cnn(C)c1Br ZINC000804343889 1079491993 /nfs/dbraw/zinc/49/19/93/1079491993.db2.gz CSRUSFZWIGYILO-UHFFFAOYSA-N 1 0 420.355 2.072 20 0 HEADRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H]3CCCC4(C3)OCCO4)C[C@H]12 ZINC001169947965 1079489758 /nfs/dbraw/zinc/48/97/58/1079489758.db2.gz HNBCXTNKPPBGCO-HKBOAZHASA-N 1 0 420.575 2.350 20 0 HEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737849557 1075931503 /nfs/dbraw/zinc/93/15/03/1075931503.db2.gz YOIPITWGBNTUKA-LEWJYISDSA-N 1 0 410.518 2.016 20 0 HEADRO O=C(C[C@@H]1COC[C@H]2C[N@@H+]([C@H]3CCCC4(C3)OCCO4)C[C@H]21)NCc1ccco1 ZINC001169950408 1079490907 /nfs/dbraw/zinc/49/09/07/1079490907.db2.gz RLQGEVNHQKHRQG-XSYGEPLQSA-N 1 0 404.507 2.166 20 0 HEADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000737989930 1075948260 /nfs/dbraw/zinc/94/82/60/1075948260.db2.gz GOWWTAIHPSFRDJ-KRWDZBQOSA-N 1 0 420.554 2.189 20 0 HEADRO Cn1c(=O)cc(Nc2ccc([C@@]34CC[NH2+][C@@H]3COCC4)cc2)n(-c2ccccc2)c1=O ZINC001169959060 1079494583 /nfs/dbraw/zinc/49/45/83/1079494583.db2.gz VYOUUYJSHUWJQO-YKSBVNFPSA-N 1 0 418.497 2.300 20 0 HEADRO C[NH+](C)[C@H]1CCCN(CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738142303 1075962886 /nfs/dbraw/zinc/96/28/86/1075962886.db2.gz BZCAIJQKZMDWRR-QFBILLFUSA-N 1 0 408.340 2.449 20 0 HEADRO C[NH+](C)[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000738143236 1075963302 /nfs/dbraw/zinc/96/33/02/1075963302.db2.gz FEDVQXDVYUYAKT-KDOFPFPSSA-N 1 0 414.428 2.336 20 0 HEADRO C[NH+](C)CCOC1CCN(CN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)CC1 ZINC000738207782 1075973902 /nfs/dbraw/zinc/97/39/02/1075973902.db2.gz FXTBOOSABCXPOS-HXUWFJFHSA-N 1 0 408.930 2.107 20 0 HEADRO C[NH+](C)C[C@H]1CCN(Cn2nc(N3CCCCC3)n(C[C@@H]3CCCO3)c2=S)C1 ZINC000738225691 1075976079 /nfs/dbraw/zinc/97/60/79/1075976079.db2.gz BLWQVYDANAYDCS-MSOLQXFVSA-N 1 0 408.616 2.424 20 0 HEADRO C[NH+](C)C[C@H]1CCN(CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738228677 1075976585 /nfs/dbraw/zinc/97/65/85/1075976585.db2.gz YEJHWWIAYGKBOH-KUHUBIRLSA-N 1 0 408.340 2.307 20 0 HEADRO C[N@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)CC(=O)NCc1ccccc1 ZINC000738335541 1075984088 /nfs/dbraw/zinc/98/40/88/1075984088.db2.gz SYCXHOWJGCELFR-UHFFFAOYSA-N 1 0 408.502 2.156 20 0 HEADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)C2=O)cc1 ZINC000738521454 1075999321 /nfs/dbraw/zinc/99/93/21/1075999321.db2.gz IFKSFVAWIOLHNZ-XMMPIXPASA-N 1 0 422.529 2.482 20 0 HEADRO C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771779532 1079500392 /nfs/dbraw/zinc/50/03/92/1079500392.db2.gz UWAIIFBGHNVEME-FUHWJXTLSA-N 1 0 411.591 2.100 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)CC1 ZINC000738560723 1076001009 /nfs/dbraw/zinc/00/10/09/1076001009.db2.gz QAEWFXMYSKWIPS-UHFFFAOYSA-N 1 0 416.547 2.364 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000738476858 1076004605 /nfs/dbraw/zinc/00/46/05/1076004605.db2.gz BJTPZRMXWYKNHX-UHFFFAOYSA-N 1 0 404.511 2.352 20 0 HEADRO Cn1ccnc1[C@@](O)(CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C(F)(F)F ZINC000738967398 1076027815 /nfs/dbraw/zinc/02/78/15/1076027815.db2.gz BMDXDKGJHAIQPV-QAPCUYQASA-N 1 0 417.476 2.220 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000739083594 1076031179 /nfs/dbraw/zinc/03/11/79/1076031179.db2.gz DFZCGVJLJOCXAD-WIYYLYMNSA-N 1 0 414.550 2.327 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000739067748 1076035285 /nfs/dbraw/zinc/03/52/85/1076035285.db2.gz MEECHDBXCDGGRW-CRAIPNDOSA-N 1 0 416.547 2.331 20 0 HEADRO Cc1ccc(NC(=O)C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)c(OCC[NH+](C)C)c1 ZINC000739068448 1076036611 /nfs/dbraw/zinc/03/66/11/1076036611.db2.gz PFBCQAIQNNROPZ-LJQANCHMSA-N 1 0 415.538 2.302 20 0 HEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000739078492 1076038384 /nfs/dbraw/zinc/03/83/84/1076038384.db2.gz CPAWUWBRJSFUDB-FCGDIQPGSA-N 1 0 416.566 2.333 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000739084113 1076041453 /nfs/dbraw/zinc/04/14/53/1076041453.db2.gz YVGYGMSOSKLLNX-RXVVDRJESA-N 1 0 424.545 2.139 20 0 HEADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)CC1 ZINC000739086925 1076042055 /nfs/dbraw/zinc/04/20/55/1076042055.db2.gz KXECAYIUFNXSRL-QGZVFWFLSA-N 1 0 402.539 2.088 20 0 HEADRO CN(C[C@@H]1CCCOC1)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739086243 1076042115 /nfs/dbraw/zinc/04/21/15/1076042115.db2.gz KHQDRAAATQGBSQ-IBGZPJMESA-N 1 0 416.566 2.288 20 0 HEADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)[NH+](C)C ZINC000739091346 1076044043 /nfs/dbraw/zinc/04/40/43/1076044043.db2.gz WMMXCXWHRBESEM-JXFKEZNVSA-N 1 0 404.555 2.333 20 0 HEADRO COC(=O)Nc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1F ZINC000739117678 1076045446 /nfs/dbraw/zinc/04/54/46/1076045446.db2.gz FBVFDNFDMIROEW-HNNXBMFYSA-N 1 0 406.458 2.419 20 0 HEADRO CC[C@H](NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)c1nccs1 ZINC000739119741 1076046346 /nfs/dbraw/zinc/04/63/46/1076046346.db2.gz SRCRWGOLEATHRA-KRWDZBQOSA-N 1 0 401.536 2.491 20 0 HEADRO COC(=O)N(C)Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000739121664 1076047398 /nfs/dbraw/zinc/04/73/98/1076047398.db2.gz WRTKGQLQQUMLLU-UHFFFAOYSA-N 1 0 416.522 2.300 20 0 HEADRO CCn1c(=O)c2ccccc2n(CC(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1=O ZINC000739648727 1076069242 /nfs/dbraw/zinc/06/92/42/1076069242.db2.gz GIFXIWNOFXABIH-UHFFFAOYSA-N 1 0 420.513 2.312 20 0 HEADRO CC(C)Cn1c(=S)n(CN2CC[C@H](C[NH+]3CCCC3)C2)nc1N1CCOCC1 ZINC000739874622 1076084373 /nfs/dbraw/zinc/08/43/73/1076084373.db2.gz CQUQNCVVNKGZCT-GOSISDBHSA-N 1 0 408.616 2.282 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000739921079 1076092896 /nfs/dbraw/zinc/09/28/96/1076092896.db2.gz MIZOOYPCQIRQIC-KRWDZBQOSA-N 1 0 400.445 2.030 20 0 HEADRO O=C(CC[N@H+]1CCc2c(Cl)cccc2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000739922405 1076092913 /nfs/dbraw/zinc/09/29/13/1076092913.db2.gz QTBVCMWYFYDDNG-UHFFFAOYSA-N 1 0 404.898 2.374 20 0 HEADRO CC1CC[NH+]([C@@H](CNS(=O)(=O)N(C)C2CCOCC2)c2cccs2)CC1 ZINC000739934004 1076094504 /nfs/dbraw/zinc/09/45/04/1076094504.db2.gz CVCMOFCNOACYHZ-KRWDZBQOSA-N 1 0 401.598 2.466 20 0 HEADRO CN1CC[N@H+](CCCNC(=O)NC[C@H](O)c2ccsc2)[C@H](c2ccccc2)C1 ZINC000740033658 1076097215 /nfs/dbraw/zinc/09/72/15/1076097215.db2.gz MQKNVHZDCXSDIW-PMACEKPBSA-N 1 0 402.564 2.460 20 0 HEADRO C[C@@](O)(CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000740034139 1076097606 /nfs/dbraw/zinc/09/76/06/1076097606.db2.gz SLYHLZKEZJVZFA-OAQYLSRUSA-N 1 0 402.564 2.467 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000766249928 1076148129 /nfs/dbraw/zinc/14/81/29/1076148129.db2.gz QWQNSUUJESJCQO-QZTJIDSGSA-N 1 0 405.543 2.111 20 0 HEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OCCC(C)C ZINC000740493148 1076172253 /nfs/dbraw/zinc/17/22/53/1076172253.db2.gz ALORDZKIULQEDF-MOPGFXCFSA-N 1 0 403.523 2.338 20 0 HEADRO O=C(NC[C@H](O)c1ccsc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000740497336 1076175237 /nfs/dbraw/zinc/17/52/37/1076175237.db2.gz COAGXLUXFPUVBD-SFHVURJKSA-N 1 0 419.572 2.128 20 0 HEADRO CCC(CC)[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)[NH+](C)C ZINC000740755292 1076235344 /nfs/dbraw/zinc/23/53/44/1076235344.db2.gz MARPBRKMDATSER-QGZVFWFLSA-N 1 0 400.545 2.356 20 0 HEADRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740882902 1076283733 /nfs/dbraw/zinc/28/37/33/1076283733.db2.gz NXQJCHFLQUACQD-PBHICJAKSA-N 1 0 404.511 2.349 20 0 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COc1cc(CN(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(SC)cc1OC ZINC000741274350 1076440931 /nfs/dbraw/zinc/44/09/31/1076440931.db2.gz DZORSHHNFFTACV-JKSUJKDBSA-N 1 0 409.552 2.430 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000741282225 1076453553 /nfs/dbraw/zinc/45/35/53/1076453553.db2.gz URENRGJUHFIFGB-GOSISDBHSA-N 1 0 410.559 2.044 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000741288955 1076457691 /nfs/dbraw/zinc/45/76/91/1076457691.db2.gz JKJDLTPLTUHSPV-XBBWARJSSA-N 1 0 421.607 2.076 20 0 HEADRO CC(C)[C@H](OC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(=O)N1CCOCC1 ZINC000741326366 1076477431 /nfs/dbraw/zinc/47/74/31/1076477431.db2.gz DFOBYCXISVEFQX-QUCCMNQESA-N 1 0 406.498 2.464 20 0 HEADRO CNC(=O)[C@@H](NC(=O)COC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000741330138 1076477817 /nfs/dbraw/zinc/47/78/17/1076477817.db2.gz NNOPEURFNSBIFF-QFIPXVFZSA-N 1 0 423.513 2.045 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCc3ccc(S(=O)(=O)N(C)C)o3)cc2)CC1 ZINC000741342757 1076486398 /nfs/dbraw/zinc/48/63/98/1076486398.db2.gz OPPAKUMFCYUBMC-UHFFFAOYSA-N 1 0 421.519 2.029 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NC[C@H]3Cc4ccccc4O3)cc2)CC1 ZINC000741344090 1076486874 /nfs/dbraw/zinc/48/68/74/1076486874.db2.gz VFZUKANLLFQFCD-OAQYLSRUSA-N 1 0 423.513 2.105 20 0 HEADRO O=C(NCc1cccc(N2CCOC2=O)c1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741409989 1076513035 /nfs/dbraw/zinc/51/30/35/1076513035.db2.gz WPUMJNHQRNKIDG-QHCPKHFHSA-N 1 0 424.501 2.079 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCO1 ZINC000741393627 1076519892 /nfs/dbraw/zinc/51/98/92/1076519892.db2.gz RWCOPPPRMSILST-SFHVURJKSA-N 1 0 407.536 2.074 20 0 HEADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CN1c2ccccc2OCCC1=O ZINC000741580302 1076552357 /nfs/dbraw/zinc/55/23/57/1076552357.db2.gz YLSVIZITENMLFI-IBGZPJMESA-N 1 0 422.529 2.129 20 0 HEADRO COCCOC(=O)c1c(C)[nH]c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1C 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SAOCKNYATODSAW-GJZGRUSLSA-N 1 0 402.495 2.127 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000743897402 1077209429 /nfs/dbraw/zinc/20/94/29/1077209429.db2.gz PKJIGMUGPCHGJP-UHFFFAOYSA-N 1 0 410.474 2.138 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000743898216 1077210717 /nfs/dbraw/zinc/21/07/17/1077210717.db2.gz RLPMXYDNQJGVLF-UXLLHSPISA-N 1 0 416.522 2.373 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)CC1 ZINC000743942152 1077236310 /nfs/dbraw/zinc/23/63/10/1077236310.db2.gz BQHKLRZGFDJDPK-KRWDZBQOSA-N 1 0 402.539 2.088 20 0 HEADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1NC(=O)OC(C)(C)C ZINC000743919703 1077240296 /nfs/dbraw/zinc/24/02/96/1077240296.db2.gz LLNCQGPAWNXZAR-AWEZNQCLSA-N 1 0 418.494 2.334 20 0 HEADRO CN(C(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000743919718 1077240978 /nfs/dbraw/zinc/24/09/78/1077240978.db2.gz LZGMBDFDIOGJQC-INIZCTEOSA-N 1 0 412.534 2.383 20 0 HEADRO Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc2)nc1 ZINC000743947223 1077276868 /nfs/dbraw/zinc/27/68/68/1077276868.db2.gz UYGYUVRMLSIIKS-GOSISDBHSA-N 1 0 424.501 2.302 20 0 HEADRO Cc1nc2ccc(NC(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)cc2s1 ZINC000743948155 1077277695 /nfs/dbraw/zinc/27/76/95/1077277695.db2.gz YBOMMBRJLIQHRB-MRXNPFEDSA-N 1 0 402.520 2.303 20 0 HEADRO O=C(Nc1ccccc1OC(F)(F)F)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743947984 1077278255 /nfs/dbraw/zinc/27/82/55/1077278255.db2.gz BTPHMKPCABCDCM-CQSZACIVSA-N 1 0 415.412 2.283 20 0 HEADRO CC(C)OCc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000743950105 1077279480 /nfs/dbraw/zinc/27/94/80/1077279480.db2.gz UISGGPJMPCJWOZ-FQEVSTJZSA-N 1 0 403.523 2.310 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)cc1F ZINC000743951661 1077279964 /nfs/dbraw/zinc/27/99/64/1077279964.db2.gz GZAACRGESLBXLF-AWEZNQCLSA-N 1 0 408.449 2.196 20 0 HEADRO Cc1cnc(CNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)s1 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Cc1nc2sn(CN3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)c(=O)c2c(C)c1C ZINC000744433953 1077393057 /nfs/dbraw/zinc/39/30/57/1077393057.db2.gz IYIAQBDFJFBXKS-SFHVURJKSA-N 1 0 403.596 2.443 20 0 HEADRO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 ZINC000744435097 1077393256 /nfs/dbraw/zinc/39/32/56/1077393256.db2.gz XLABKQAVTLZYAL-QZTJIDSGSA-N 1 0 424.586 2.191 20 0 HEADRO Cc1cc(C)n(CCC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1 ZINC000744447347 1077398315 /nfs/dbraw/zinc/39/83/15/1077398315.db2.gz BGXCLUNAJVZVKR-UHFFFAOYSA-N 1 0 403.571 2.121 20 0 HEADRO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000744523588 1077440910 /nfs/dbraw/zinc/44/09/10/1077440910.db2.gz SHBCECJFRRTXHA-OAQYLSRUSA-N 1 0 415.534 2.055 20 0 HEADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)C2=O)cc1 ZINC000744749535 1077567440 /nfs/dbraw/zinc/56/74/40/1077567440.db2.gz CWEVZACZYCTFGP-MSYCTHLASA-N 1 0 412.534 2.236 20 0 HEADRO C[C@H](OC(=O)c1cnn(C)c1C(F)(F)F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744754547 1077568601 /nfs/dbraw/zinc/56/86/01/1077568601.db2.gz XKLFTQGFGZKYCH-ZFWWWQNUSA-N 1 0 424.423 2.375 20 0 HEADRO CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000744765471 1077576380 /nfs/dbraw/zinc/57/63/80/1077576380.db2.gz CRNNPLRLWAAZTI-YFHOEESVSA-N 1 0 416.522 2.185 20 0 HEADRO Cc1nc(-c2ncccn2)sc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000744810336 1077584265 /nfs/dbraw/zinc/58/42/65/1077584265.db2.gz KVUXKULAMIIEOO-UHFFFAOYSA-N 1 0 403.508 2.054 20 0 HEADRO C[C@@H](OC(=O)c1cn(C)nc1C(F)(F)F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744813608 1077584984 /nfs/dbraw/zinc/58/49/84/1077584984.db2.gz VYKCBGGVMPCBJD-HIFRSBDPSA-N 1 0 424.423 2.375 20 0 HEADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001545681330 1077711529 /nfs/dbraw/zinc/71/15/29/1077711529.db2.gz RVCWFTWHJTUUKV-LUKYLMHMSA-N 1 0 415.604 2.118 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000745074286 1077720282 /nfs/dbraw/zinc/72/02/82/1077720282.db2.gz MWKGPOZKUYYGFA-IRXDYDNUSA-N 1 0 411.543 2.212 20 0 HEADRO C[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000745170723 1077766538 /nfs/dbraw/zinc/76/65/38/1077766538.db2.gz MAGJDILEBUOTPV-RPXHZFJKSA-N 1 0 405.564 2.253 20 0 HEADRO C[C@@H]1CCC[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 ZINC000745170779 1077766708 /nfs/dbraw/zinc/76/67/08/1077766708.db2.gz QTBWIISHTFPHSW-YHZJOHHESA-N 1 0 402.520 2.356 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000766331141 1077813568 /nfs/dbraw/zinc/81/35/68/1077813568.db2.gz NSXALSXWTUPVNG-ZOCZFRKYSA-N 1 0 402.495 2.277 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000745420036 1077821962 /nfs/dbraw/zinc/82/19/62/1077821962.db2.gz AZBDNDJYPQTXLI-FQEVSTJZSA-N 1 0 416.547 2.474 20 0 HEADRO 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CCC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC[N@@H+]1CCOC ZINC000766967604 1079562739 /nfs/dbraw/zinc/56/27/39/1079562739.db2.gz KWRLPNGNNDFSEF-SIKLNZKXSA-N 1 0 418.582 2.283 20 0 HEADRO CCC[C@H]1CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC[N@@H+]1CCOC ZINC000766971979 1079568172 /nfs/dbraw/zinc/56/81/72/1079568172.db2.gz HILNIZZHEQQBGQ-QFIPXVFZSA-N 1 0 418.582 2.285 20 0 HEADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766973443 1079569340 /nfs/dbraw/zinc/56/93/40/1079569340.db2.gz IWUXVBUCYYCGFQ-DYVFJYSZSA-N 1 0 412.458 2.376 20 0 HEADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766973440 1079569471 /nfs/dbraw/zinc/56/94/71/1079569471.db2.gz IWUXVBUCYYCGFQ-CXAGYDPISA-N 1 0 412.458 2.376 20 0 HEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 ZINC000771941315 1079592873 /nfs/dbraw/zinc/59/28/73/1079592873.db2.gz SPXYKJJMYCVATP-MRXNPFEDSA-N 1 0 417.554 2.244 20 0 HEADRO Cn1ccnc1[C@@H](O)C1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000771985433 1079628402 /nfs/dbraw/zinc/62/84/02/1079628402.db2.gz JTLIVSRGYCXNPW-MOPGFXCFSA-N 1 0 403.502 2.317 20 0 HEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000767088627 1079670505 /nfs/dbraw/zinc/67/05/05/1079670505.db2.gz UISCHFWXOHVRAD-KURKYZTESA-N 1 0 411.568 2.199 20 0 HEADRO O=C1c2ccccc2/C(=C\NC[C@@H]2C[NH+]3CCN2CC3)C(=O)N1c1ccccc1Cl ZINC000746521367 1079684433 /nfs/dbraw/zinc/68/44/33/1079684433.db2.gz HZFQEBVZXBNWTG-NISQSXRWSA-N 1 0 422.916 2.457 20 0 HEADRO CCC[C@@H]1CN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1CCOC ZINC000767124143 1079691932 /nfs/dbraw/zinc/69/19/32/1079691932.db2.gz VXJSRFOCZWVXQI-SCEWNMGZSA-N 1 0 409.552 2.031 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000767165072 1079702477 /nfs/dbraw/zinc/70/24/77/1079702477.db2.gz SYGDRSJDIVSUFE-HKUYNNGSSA-N 1 0 422.595 2.434 20 0 HEADRO CC1(C)OCC(C)(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CO1 ZINC000767174643 1079708879 /nfs/dbraw/zinc/70/88/79/1079708879.db2.gz YAYDIOZEEWIBGG-UHFFFAOYSA-N 1 0 403.567 2.490 20 0 HEADRO O=C(/C=C\c1ccc2c(c1)OCO2)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2 ZINC000767149674 1079715428 /nfs/dbraw/zinc/71/54/28/1079715428.db2.gz NARKOLWGTAZHRB-NPXLJKKNSA-N 1 0 419.481 2.144 20 0 HEADRO C[N@H+](Cc1ccncc1)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170039284 1079732383 /nfs/dbraw/zinc/73/23/83/1079732383.db2.gz RFOXKOVCFBQDES-IRXDYDNUSA-N 1 0 406.552 2.424 20 0 HEADRO O=S(=O)(N1CCC(C[NH2+]Cc2cncc(Br)c2)CC1)C(F)(F)F ZINC000767180858 1079738234 /nfs/dbraw/zinc/73/82/34/1079738234.db2.gz AEXYUWQZRUQCGH-UHFFFAOYSA-N 1 0 416.263 2.495 20 0 HEADRO COC1(C)CC[NH+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170040374 1079773631 /nfs/dbraw/zinc/77/36/31/1079773631.db2.gz ZYOVPZAORBHRQW-CVEARBPZSA-N 1 0 413.584 2.398 20 0 HEADRO CCn1cc(S(=O)(=O)Oc2ccc(C(=O)NCC[NH+](CC)CC)cc2)nc1C 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PBXHXRDFBBXELL-DQSGYLJSSA-N 1 0 408.564 2.456 20 0 HEADRO CC[NH+]1CCC(n2nccc2NC(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)CC1 ZINC000767844639 1080196198 /nfs/dbraw/zinc/19/61/98/1080196198.db2.gz ZNIVIMLERUKGKL-MRXNPFEDSA-N 1 0 409.531 2.408 20 0 HEADRO NS(=O)(=O)c1ccc(OCCOC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000785723935 1080200621 /nfs/dbraw/zinc/20/06/21/1080200621.db2.gz WBLPLHMVRIVTRP-UHFFFAOYSA-N 1 0 404.488 2.166 20 0 HEADRO COC(=O)COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000767873536 1080212360 /nfs/dbraw/zinc/21/23/60/1080212360.db2.gz DORFFPRYRZFYMF-KUHUBIRLSA-N 1 0 407.488 2.026 20 0 HEADRO COc1cccc([C@H]2CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCN2)c1 ZINC001169977197 1080213055 /nfs/dbraw/zinc/21/30/55/1080213055.db2.gz ZPVWMDVXDSWXFO-RBUKOAKNSA-N 1 0 420.554 2.013 20 0 HEADRO COC(=O)COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000767875881 1080214045 /nfs/dbraw/zinc/21/40/45/1080214045.db2.gz NNFMFHFDLGVKDF-YCRPNKLZSA-N 1 0 421.515 2.200 20 0 HEADRO CC[NH+]1CCN(CCNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000767920503 1080215682 /nfs/dbraw/zinc/21/56/82/1080215682.db2.gz CXFKYTCGOOIXMT-JOCHJYFZSA-N 1 0 404.555 2.180 20 0 HEADRO CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000785708346 1080215714 /nfs/dbraw/zinc/21/57/14/1080215714.db2.gz FOCVUBSDFQVFBJ-UHFFFAOYSA-N 1 0 416.499 2.481 20 0 HEADRO O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785713396 1080221506 /nfs/dbraw/zinc/22/15/06/1080221506.db2.gz LUSXGWHLYPDMDN-UHFFFAOYSA-N 1 0 408.454 2.301 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=S)NCCc1ccc2c(c1)OCCO2 ZINC000746558073 1080228656 /nfs/dbraw/zinc/22/86/56/1080228656.db2.gz PKBIPOGGIQPQRH-ZHALLVOQSA-N 1 0 405.564 2.058 20 0 HEADRO CN(CCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)OC(C)(C)C ZINC000767947823 1080238320 /nfs/dbraw/zinc/23/83/20/1080238320.db2.gz LZYKLWCWKUTYGF-MSOLQXFVSA-N 1 0 412.575 2.311 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000785747037 1080250054 /nfs/dbraw/zinc/25/00/54/1080250054.db2.gz JSKYDZRIZVXLGS-KRWDZBQOSA-N 1 0 416.440 2.141 20 0 HEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC000767962522 1080253515 /nfs/dbraw/zinc/25/35/15/1080253515.db2.gz IRUGHELHCFJUTG-SFHVURJKSA-N 1 0 406.527 2.289 20 0 HEADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccco2)cc1NC(=O)CC[NH+](C)C ZINC000767991457 1080261406 /nfs/dbraw/zinc/26/14/06/1080261406.db2.gz SQWOPYVONVPATM-OAHLLOKOSA-N 1 0 400.479 2.164 20 0 HEADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000785840006 1080266548 /nfs/dbraw/zinc/26/65/48/1080266548.db2.gz XCEWJHUATQFKAE-FMNVXAMXSA-N 1 0 409.483 2.044 20 0 HEADRO COC(=O)/C=C/c1ccc(OCCN2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1 ZINC000785875847 1080272218 /nfs/dbraw/zinc/27/22/18/1080272218.db2.gz BJFSDBOKPIZMRU-MBNRZODZSA-N 1 0 401.507 2.329 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)N(C[C@H](C)O)[C@H](C)CO)cc2Cl)CC1 ZINC000785846947 1080279017 /nfs/dbraw/zinc/27/90/17/1080279017.db2.gz ZDWNDJGLTUWVIF-CVEARBPZSA-N 1 0 412.962 2.468 20 0 HEADRO Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000768020937 1080288467 /nfs/dbraw/zinc/28/84/67/1080288467.db2.gz OHPVVSWSBUFSID-JOCHJYFZSA-N 1 0 424.545 2.314 20 0 HEADRO CC(C)O[C@H]1CC[N@@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170052422 1080295665 /nfs/dbraw/zinc/29/56/65/1080295665.db2.gz SJRLLZZRXXMSIA-ULQDDVLXSA-N 1 0 413.584 2.397 20 0 HEADRO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCCC4(C3)OCCO4)CC2)cc1 ZINC000768056304 1080297424 /nfs/dbraw/zinc/29/74/24/1080297424.db2.gz XWEAMDIEZFLHEG-UHFFFAOYSA-N 1 0 403.523 2.456 20 0 HEADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCCC2(C1)OCCO2 ZINC000768067707 1080303227 /nfs/dbraw/zinc/30/32/27/1080303227.db2.gz GEYSFDRBRWRFKR-UHFFFAOYSA-N 1 0 422.957 2.401 20 0 HEADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000804365072 1080316430 /nfs/dbraw/zinc/31/64/30/1080316430.db2.gz CWNYZALACHYUDG-LJQANCHMSA-N 1 0 413.440 2.002 20 0 HEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768084686 1080318295 /nfs/dbraw/zinc/31/82/95/1080318295.db2.gz VCKVRDJYJJBMKR-FBVQUNGASA-N 1 0 407.555 2.439 20 0 HEADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[C@@H](O)c3ccccc3)c2)CC1 ZINC000768087560 1080320811 /nfs/dbraw/zinc/32/08/11/1080320811.db2.gz UBZBHBCYQIQJEC-JOCHJYFZSA-N 1 0 424.545 2.395 20 0 HEADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)C(F)(F)C2(O)CCCC2)CC1)C(C)C ZINC000785965599 1080324594 /nfs/dbraw/zinc/32/45/94/1080324594.db2.gz DQEHKHSLYMUYTP-UHFFFAOYSA-N 1 0 417.541 2.400 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000768098579 1080325078 /nfs/dbraw/zinc/32/50/78/1080325078.db2.gz CTAWSEPQVNQVFE-AWEZNQCLSA-N 1 0 420.403 2.474 20 0 HEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000746493841 1080337257 /nfs/dbraw/zinc/33/72/57/1080337257.db2.gz FWWAGWKGAQCTBN-HNNXBMFYSA-N 1 0 415.506 2.285 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C[C@H](C)O1 ZINC000768122506 1080337398 /nfs/dbraw/zinc/33/73/98/1080337398.db2.gz ACAADSCFJCTINK-XEMDLRDOSA-N 1 0 416.566 2.475 20 0 HEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000785994670 1080354861 /nfs/dbraw/zinc/35/48/61/1080354861.db2.gz ZPQPFLJJAAUPHM-QGZVFWFLSA-N 1 0 414.550 2.093 20 0 HEADRO CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC[C@@H]1C ZINC000786002109 1080362335 /nfs/dbraw/zinc/36/23/35/1080362335.db2.gz NBGPHVQGMZQESH-MGPUTAFESA-N 1 0 420.529 2.178 20 0 HEADRO C[C@@H]1CC(NC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)C[C@@H](C)O1 ZINC000768128461 1080362480 /nfs/dbraw/zinc/36/24/80/1080362480.db2.gz ZNAINOYVCBUJQZ-HUUCEWRRSA-N 1 0 420.529 2.367 20 0 HEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC000768128116 1080363110 /nfs/dbraw/zinc/36/31/10/1080363110.db2.gz GSGGXRIPLOXEFL-UHFFFAOYSA-N 1 0 419.570 2.204 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000746570461 1080388165 /nfs/dbraw/zinc/38/81/65/1080388165.db2.gz PZBIGXYEZWFFRH-HNNXBMFYSA-N 1 0 402.944 2.316 20 0 HEADRO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000786089078 1080389093 /nfs/dbraw/zinc/38/90/93/1080389093.db2.gz LPPVNFDZHGAFRX-FQEVSTJZSA-N 1 0 419.953 2.355 20 0 HEADRO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000786089080 1080389252 /nfs/dbraw/zinc/38/92/52/1080389252.db2.gz LPPVNFDZHGAFRX-HXUWFJFHSA-N 1 0 419.953 2.355 20 0 HEADRO COC(=O)c1ccccc1N(C)C(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786096652 1080391270 /nfs/dbraw/zinc/39/12/70/1080391270.db2.gz NGSLUHBOEGEKKH-UHFFFAOYSA-N 1 0 418.490 2.014 20 0 HEADRO COCc1ccc(CNC(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000786096141 1080392102 /nfs/dbraw/zinc/39/21/02/1080392102.db2.gz NZEANTBQVKJUQD-UHFFFAOYSA-N 1 0 404.507 2.028 20 0 HEADRO Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786097490 1080392675 /nfs/dbraw/zinc/39/26/75/1080392675.db2.gz JTYCWMBHZSHDFV-UHFFFAOYSA-N 1 0 406.527 2.234 20 0 HEADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768203200 1080393707 /nfs/dbraw/zinc/39/37/07/1080393707.db2.gz RSVAFCHRHNRBBZ-NQIIRXRSSA-N 1 0 411.502 2.432 20 0 HEADRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768203092 1080394335 /nfs/dbraw/zinc/39/43/35/1080394335.db2.gz YWEAVCQFEHHIQH-PXNSSMCTSA-N 1 0 422.489 2.178 20 0 HEADRO C[C@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000786099283 1080394742 /nfs/dbraw/zinc/39/47/42/1080394742.db2.gz UDFFAQGXPBTCSJ-HNNXBMFYSA-N 1 0 404.463 2.321 20 0 HEADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000742949720 1080394905 /nfs/dbraw/zinc/39/49/05/1080394905.db2.gz SZKAILPLPNGAEJ-SIKLNZKXSA-N 1 0 419.529 2.087 20 0 HEADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCC2(C1)OCCO2 ZINC000768209657 1080397980 /nfs/dbraw/zinc/39/79/80/1080397980.db2.gz SJSMFRHESTWBNR-NRFANRHFSA-N 1 0 416.566 2.179 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)C1 ZINC000746571666 1080398119 /nfs/dbraw/zinc/39/81/19/1080398119.db2.gz YJQRALYCCMBTAU-IBGZPJMESA-N 1 0 418.513 2.263 20 0 HEADRO O=C(NCC1CC[NH+](CCn2nc3ccccn3c2=O)CC1)OCc1ccccc1 ZINC000786107572 1080399936 /nfs/dbraw/zinc/39/99/36/1080399936.db2.gz YCMYLLUHKNYDFH-UHFFFAOYSA-N 1 0 409.490 2.134 20 0 HEADRO O=C(C1CC[NH+](Cc2cc3ccccc3nc2N2CCOCC2)CC1)N1CCOCC1 ZINC000768193162 1080408739 /nfs/dbraw/zinc/40/87/39/1080408739.db2.gz CMSMPGSXNPPWRL-UHFFFAOYSA-N 1 0 424.545 2.142 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)Nc3cccc(Br)n3)ccn2)CC1 ZINC000786142430 1080418993 /nfs/dbraw/zinc/41/89/93/1080418993.db2.gz XLOCWUWMKWFQDJ-UHFFFAOYSA-N 1 0 405.300 2.313 20 0 HEADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768222183 1080427623 /nfs/dbraw/zinc/42/76/23/1080427623.db2.gz FRUKYXUZWLHVCV-AZUAARDMSA-N 1 0 410.603 2.018 20 0 HEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000746495368 1080435896 /nfs/dbraw/zinc/43/58/96/1080435896.db2.gz MIALILLNXNJLHV-HNNXBMFYSA-N 1 0 415.506 2.285 20 0 HEADRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768236880 1080437258 /nfs/dbraw/zinc/43/72/58/1080437258.db2.gz FWGJGEDYOKKGBX-ZJDLJICXSA-N 1 0 404.507 2.340 20 0 HEADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000768259550 1080446726 /nfs/dbraw/zinc/44/67/26/1080446726.db2.gz XLCKWOHOBLUMDD-HXUWFJFHSA-N 1 0 417.550 2.387 20 0 HEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000786183105 1080461684 /nfs/dbraw/zinc/46/16/84/1080461684.db2.gz DIRDZBVCZMJKST-YOEHRIQHSA-N 1 0 400.516 2.096 20 0 HEADRO C[C@@H]1[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)CCN1C(=O)OC(C)(C)C ZINC000786167862 1080475820 /nfs/dbraw/zinc/47/58/20/1080475820.db2.gz WVJWDRDDLCOCPJ-WBVHZDCISA-N 1 0 403.527 2.417 20 0 HEADRO C[C@H]1[C@@H](C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCN1C(=O)OC(C)(C)C ZINC000786167991 1080477512 /nfs/dbraw/zinc/47/75/12/1080477512.db2.gz MIIRLMQTELTABD-WMZOPIPTSA-N 1 0 417.554 2.095 20 0 HEADRO C[C@@H]1[C@@H](C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786175676 1080479949 /nfs/dbraw/zinc/47/99/49/1080479949.db2.gz UAMWIBLZSOVKBA-APWZRJJASA-N 1 0 408.587 2.307 20 0 HEADRO C[NH+](C)CCc1ccc(CNC(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000786254670 1080492724 /nfs/dbraw/zinc/49/27/24/1080492724.db2.gz SCQPYNGMIJZTRC-IBGZPJMESA-N 1 0 420.554 2.226 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000786237501 1080513926 /nfs/dbraw/zinc/51/39/26/1080513926.db2.gz UHLGNLZAEMERLA-UHFFFAOYSA-N 1 0 402.543 2.014 20 0 HEADRO C[C@@](O)(C1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1)C(F)(F)F ZINC000768366780 1080515625 /nfs/dbraw/zinc/51/56/25/1080515625.db2.gz XVOMLHLKALQZJF-SJLPKXTDSA-N 1 0 407.477 2.365 20 0 HEADRO C[C@@](O)(C1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1)C(F)(F)F ZINC000768366779 1080515786 /nfs/dbraw/zinc/51/57/86/1080515786.db2.gz XVOMLHLKALQZJF-FUHWJXTLSA-N 1 0 407.477 2.365 20 0 HEADRO COCC[C@@H]1CCCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000768371835 1080519692 /nfs/dbraw/zinc/51/96/92/1080519692.db2.gz SESGJHHEOHTFFG-IBGZPJMESA-N 1 0 416.566 2.432 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000786284804 1080529691 /nfs/dbraw/zinc/52/96/91/1080529691.db2.gz LJDCEMFRAWZJCY-UHFFFAOYSA-N 1 0 403.523 2.311 20 0 HEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000768387090 1080536467 /nfs/dbraw/zinc/53/64/67/1080536467.db2.gz CSJQRKYIUIEBMK-FQEVSTJZSA-N 1 0 420.517 2.093 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000786294177 1080539626 /nfs/dbraw/zinc/53/96/26/1080539626.db2.gz SZKOVPUYABDHGU-INIZCTEOSA-N 1 0 403.523 2.357 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000786298757 1080542993 /nfs/dbraw/zinc/54/29/93/1080542993.db2.gz KFXNWVIUJZKIQC-UHFFFAOYSA-N 1 0 415.534 2.455 20 0 HEADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000786303625 1080546306 /nfs/dbraw/zinc/54/63/06/1080546306.db2.gz NFLQTWIJUOXDGT-UHFFFAOYSA-N 1 0 410.396 2.296 20 0 HEADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000786305624 1080547077 /nfs/dbraw/zinc/54/70/77/1080547077.db2.gz GWOOMFQNCSVPEQ-UHFFFAOYSA-N 1 0 402.417 2.045 20 0 HEADRO CS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000768426872 1080547919 /nfs/dbraw/zinc/54/79/19/1080547919.db2.gz SLSFSYUZYUKPLV-KRWDZBQOSA-N 1 0 420.506 2.116 20 0 HEADRO CCN1CC[NH+](CCCCNC(=O)Nc2cc(N3CCNC3=O)ccc2C)CC1 ZINC000786265301 1080548604 /nfs/dbraw/zinc/54/86/04/1080548604.db2.gz MZXOEUQRGHHUIU-UHFFFAOYSA-N 1 0 402.543 2.064 20 0 HEADRO CC[N@H+](CCn1ccnc1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170056318 1080550347 /nfs/dbraw/zinc/55/03/47/1080550347.db2.gz QMNNROVIOABHMD-SJORKVTESA-N 1 0 423.583 2.116 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000786344373 1080553017 /nfs/dbraw/zinc/55/30/17/1080553017.db2.gz OFDLSGXYDBSGIK-CYBMUJFWSA-N 1 0 411.344 2.050 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000786325774 1080562811 /nfs/dbraw/zinc/56/28/11/1080562811.db2.gz FVCHZYUWGCXULE-IAGOWNOFSA-N 1 0 421.925 2.437 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000786328128 1080564182 /nfs/dbraw/zinc/56/41/82/1080564182.db2.gz ZIONQJIAZQQAKQ-SJLPKXTDSA-N 1 0 424.586 2.127 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000786334455 1080566487 /nfs/dbraw/zinc/56/64/87/1080566487.db2.gz QEAZTXVYBJXLKG-KRWDZBQOSA-N 1 0 414.550 2.227 20 0 HEADRO Cn1cc(-c2ncccc2NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000786367854 1080572544 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Cc1nc(F)ccc1C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000787069180 1080977897 /nfs/dbraw/zinc/97/78/97/1080977897.db2.gz WCBRLTDTSPMXID-UHFFFAOYSA-N 1 0 406.483 2.027 20 0 HEADRO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCN1C(=O)OC(C)(C)C ZINC000769161500 1080979541 /nfs/dbraw/zinc/97/95/41/1080979541.db2.gz LRNMZEHSFNBTPS-QRQLOZEOSA-N 1 0 424.586 2.405 20 0 HEADRO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCN1C(=O)OC(C)(C)C ZINC000769161494 1080979554 /nfs/dbraw/zinc/97/95/54/1080979554.db2.gz LRNMZEHSFNBTPS-BHIYHBOVSA-N 1 0 424.586 2.405 20 0 HEADRO C[C@](O)(CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1F ZINC000769164705 1080981352 /nfs/dbraw/zinc/98/13/52/1080981352.db2.gz UYOYYHRVLJVYHO-SBHAEUEKSA-N 1 0 411.493 2.239 20 0 HEADRO CC(C)(C)OC(=O)N1CCCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000769164497 1080982155 /nfs/dbraw/zinc/98/21/55/1080982155.db2.gz AXCNRRAFUBAUPT-RBUKOAKNSA-N 1 0 424.586 2.407 20 0 HEADRO CN(C(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000780666828 1080983273 /nfs/dbraw/zinc/98/32/73/1080983273.db2.gz QLHPSTINUCYLLS-YCRNBWNJSA-N 1 0 420.598 2.260 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000769166280 1080984355 /nfs/dbraw/zinc/98/43/55/1080984355.db2.gz KBFMGNZPYNVBGP-NJYVYQBISA-N 1 0 409.571 2.124 20 0 HEADRO CC(C)COC(=O)N1CCCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000769167137 1080984675 /nfs/dbraw/zinc/98/46/75/1080984675.db2.gz QEROZCPGTGGSPJ-VQTJNVASSA-N 1 0 424.586 2.264 20 0 HEADRO CN(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c(C(N)=O)c1 ZINC000769167264 1080985061 /nfs/dbraw/zinc/98/50/61/1080985061.db2.gz AFYKIUJLRIMBQF-UHFFFAOYSA-N 1 0 410.518 2.308 20 0 HEADRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000769202543 1081000838 /nfs/dbraw/zinc/00/08/38/1081000838.db2.gz WDIPPDCNJYHICJ-IBGZPJMESA-N 1 0 405.587 2.474 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)Cc2ccccc2CO)CC1 ZINC000787063516 1081003102 /nfs/dbraw/zinc/00/31/02/1081003102.db2.gz HDZIBPDXOGKPKZ-UHFFFAOYSA-N 1 0 410.514 2.354 20 0 HEADRO CCCN(CCc1cccs1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787109060 1081003909 /nfs/dbraw/zinc/00/39/09/1081003909.db2.gz VPPSCKYUTOGFPK-SFHVURJKSA-N 1 0 407.580 2.289 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000787110475 1081004331 /nfs/dbraw/zinc/00/43/31/1081004331.db2.gz VBVNUFKZLIOXPM-SFTDATJTSA-N 1 0 417.525 2.119 20 0 HEADRO O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787109976 1081004348 /nfs/dbraw/zinc/00/43/48/1081004348.db2.gz SWEJADFPYCLVGR-BFYDXBDKSA-N 1 0 419.488 2.231 20 0 HEADRO Cc1cc([C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)ccc1F ZINC000787109950 1081004366 /nfs/dbraw/zinc/00/43/66/1081004366.db2.gz SUKXPTCRHNGETF-CTNGQTDRSA-N 1 0 417.525 2.461 20 0 HEADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2ncsc2c1 ZINC000787111480 1081004659 /nfs/dbraw/zinc/00/46/59/1081004659.db2.gz ZJIDWEUNMDWTSW-WMLDXEAASA-N 1 0 416.547 2.233 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000787112196 1081005406 /nfs/dbraw/zinc/00/54/06/1081005406.db2.gz CIXXFWLANDVDRD-LEWJYISDSA-N 1 0 414.550 2.285 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000787112199 1081005471 /nfs/dbraw/zinc/00/54/71/1081005471.db2.gz CIXXFWLANDVDRD-NHCUHLMSSA-N 1 0 414.550 2.285 20 0 HEADRO C[C@@]1(c2ccc(F)cc2)CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787119977 1081009299 /nfs/dbraw/zinc/00/92/99/1081009299.db2.gz ZMHRULRGJKUSCE-NZQKXSOJSA-N 1 0 417.525 2.075 20 0 HEADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc2ccccc2s1 ZINC000787122687 1081009846 /nfs/dbraw/zinc/00/98/46/1081009846.db2.gz IXXXVXTZGBNGCA-ZBFHGGJFSA-N 1 0 416.547 2.233 20 0 HEADRO C[C@@H]1NC(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)=NN(c2ccccc2)C1=O ZINC000746636751 1081010308 /nfs/dbraw/zinc/01/03/08/1081010308.db2.gz NPGBLXRXLCUOTJ-KSSFIOAISA-N 1 0 413.909 2.397 20 0 HEADRO C[C@H]1c2c(F)cccc2CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787131444 1081019749 /nfs/dbraw/zinc/01/97/49/1081019749.db2.gz UUOQDCAHXVEQRH-MAUKXSAKSA-N 1 0 403.498 2.031 20 0 HEADRO CC(=O)N(c1nn(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(=S)s1)C1CC1 ZINC000746648581 1081020289 /nfs/dbraw/zinc/02/02/89/1081020289.db2.gz LNTXZLKINQNAMO-ARFHVFGLSA-N 1 0 411.597 2.330 20 0 HEADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC1CC[NH+](Cc3ccccn3)CC1)CCC2 ZINC000787143346 1081026832 /nfs/dbraw/zinc/02/68/32/1081026832.db2.gz JGHMOAUXYLHEHJ-GOSISDBHSA-N 1 0 413.547 2.121 20 0 HEADRO Cn1nc(Br)cc1CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000787149775 1081030173 /nfs/dbraw/zinc/03/01/73/1081030173.db2.gz MFADAGNZEIHIEY-UHFFFAOYSA-N 1 0 406.372 2.432 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1nc(C2CC2)cc(C(F)(F)F)c1=O ZINC000746645406 1081030409 /nfs/dbraw/zinc/03/04/09/1081030409.db2.gz DNOMSMGEMBLDHH-XYPHTWIQSA-N 1 0 400.445 2.281 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CN1c2cccc(Br)c2C(=O)C1=O ZINC000746647382 1081032030 /nfs/dbraw/zinc/03/20/30/1081032030.db2.gz IRTKLZQVFQRNGG-INWMFGNUSA-N 1 0 422.323 2.119 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCSC2(CCCCC2)C1 ZINC000787124292 1081034567 /nfs/dbraw/zinc/03/45/67/1081034567.db2.gz MYNPUSYEAVMYRY-GOSISDBHSA-N 1 0 409.596 2.024 20 0 HEADRO Cc1ccc(C[C@H](C)N(C)C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000787125157 1081034884 /nfs/dbraw/zinc/03/48/84/1081034884.db2.gz OEKOYYFIJLZKKM-GHTZIAJQSA-N 1 0 401.551 2.144 20 0 HEADRO Cc1ccc(C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000787125938 1081035368 /nfs/dbraw/zinc/03/53/68/1081035368.db2.gz QTKOHXARGIIDKH-FQEVSTJZSA-N 1 0 401.551 2.148 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)[nH]n2)C1 ZINC000787129079 1081036440 /nfs/dbraw/zinc/03/64/40/1081036440.db2.gz OYEWFEBOIJTWFU-LSDHHAIUSA-N 1 0 403.527 2.348 20 0 HEADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CSCCS3)cc2)C1 ZINC000787160338 1081038611 /nfs/dbraw/zinc/03/86/11/1081038611.db2.gz WJFYPUUJTZPYNT-QFBILLFUSA-N 1 0 421.632 2.500 20 0 HEADRO CC(=O)[C@@H]1CC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)=NN1c1ccccc1 ZINC000769312281 1081039132 /nfs/dbraw/zinc/03/91/32/1081039132.db2.gz DODQKYVVIYOTHE-FSSWDIPSSA-N 1 0 412.534 2.094 20 0 HEADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000769314943 1081039852 /nfs/dbraw/zinc/03/98/52/1081039852.db2.gz JZLZECRHADLHNU-DDYZIIQUSA-N 1 0 409.596 2.128 20 0 HEADRO CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000769316080 1081040078 /nfs/dbraw/zinc/04/00/78/1081040078.db2.gz NBHQSBANCZVJDW-RBUKOAKNSA-N 1 0 412.527 2.117 20 0 HEADRO CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1OC ZINC000769342294 1081049665 /nfs/dbraw/zinc/04/96/65/1081049665.db2.gz JROMNFIPDCSAID-SFHVURJKSA-N 1 0 403.523 2.187 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCC[N@H+](C)Cc2ccccc2)cc1 ZINC000769373465 1081056089 /nfs/dbraw/zinc/05/60/89/1081056089.db2.gz WOZQJKSIJNDRNI-UHFFFAOYSA-N 1 0 419.472 2.494 20 0 HEADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000787191942 1081056533 /nfs/dbraw/zinc/05/65/33/1081056533.db2.gz HOVKQDANXNDOTG-RTBURBONSA-N 1 0 403.523 2.217 20 0 HEADRO COc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1OCC(=O)N(C)C ZINC000769385048 1081059567 /nfs/dbraw/zinc/05/95/67/1081059567.db2.gz NPLDJZGNPXWVTQ-MRXNPFEDSA-N 1 0 407.511 2.261 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)C1 ZINC000769385332 1081059962 /nfs/dbraw/zinc/05/99/62/1081059962.db2.gz UYQPUZGYDYAXTJ-MRXNPFEDSA-N 1 0 411.493 2.436 20 0 HEADRO COc1ccccc1OCCN(C)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000787202139 1081060429 /nfs/dbraw/zinc/06/04/29/1081060429.db2.gz LEZUIDYILKMQCH-UHFFFAOYSA-N 1 0 403.523 2.056 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787203753 1081060606 /nfs/dbraw/zinc/06/06/06/1081060606.db2.gz XMAGFSXGFOBVRE-AEFFLSMTSA-N 1 0 410.534 2.404 20 0 HEADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2cccc(-c3cccnc3)c2)c1 ZINC000769389566 1081060884 /nfs/dbraw/zinc/06/08/84/1081060884.db2.gz OJXPDUVGXIQWAE-UHFFFAOYSA-N 1 0 410.499 2.385 20 0 HEADRO CC(C)[C@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000787243835 1081067337 /nfs/dbraw/zinc/06/73/37/1081067337.db2.gz RABSXYRQIKCUTC-WMZOPIPTSA-N 1 0 412.575 2.430 20 0 HEADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000769436739 1081074050 /nfs/dbraw/zinc/07/40/50/1081074050.db2.gz XKDFEABGTSBVSV-FQEVSTJZSA-N 1 0 403.527 2.131 20 0 HEADRO CC[C@H]1C[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769483132 1081078883 /nfs/dbraw/zinc/07/88/83/1081078883.db2.gz GNHQRRGZVSGSEZ-OALUTQOASA-N 1 0 418.586 2.354 20 0 HEADRO CC[C@H]1C[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769483134 1081079037 /nfs/dbraw/zinc/07/90/37/1081079037.db2.gz GNHQRRGZVSGSEZ-RBUKOAKNSA-N 1 0 418.586 2.354 20 0 HEADRO COc1cc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1OC(C)C ZINC000787234381 1081082497 /nfs/dbraw/zinc/08/24/97/1081082497.db2.gz NEVOYCPVDQUDPP-SFHVURJKSA-N 1 0 403.523 2.185 20 0 HEADRO C[NH+](C)CCn1cc(NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)cn1 ZINC000787283849 1081091173 /nfs/dbraw/zinc/09/11/73/1081091173.db2.gz QBIFSZTUYPNTAB-AWEZNQCLSA-N 1 0 417.514 2.145 20 0 HEADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NCc2cccnc2-n2ccnc2)c1 ZINC000787288069 1081092305 /nfs/dbraw/zinc/09/23/05/1081092305.db2.gz HRMRJOKKXLEESX-UHFFFAOYSA-N 1 0 420.517 2.042 20 0 HEADRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@](O)(c1nccn1C)C(F)(F)F ZINC000769540361 1081094223 /nfs/dbraw/zinc/09/42/23/1081094223.db2.gz PDEAFEVOYSUUGQ-DJJJIMSYSA-N 1 0 424.423 2.225 20 0 HEADRO CCOc1cc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)ccc1OC(F)F ZINC000787298393 1081098227 /nfs/dbraw/zinc/09/82/27/1081098227.db2.gz KRDLTQOIJYNFLY-CQSZACIVSA-N 1 0 413.465 2.294 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[N@H+](C4CCOCC4)C[C@H]3C)C2=O)cc1 ZINC000787268231 1081101790 /nfs/dbraw/zinc/10/17/90/1081101790.db2.gz WLXDFUGGGMMJCW-WIYYLYMNSA-N 1 0 414.550 2.385 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[N@H+](C4CCOCC4)C[C@@H]3C)C2=O)cc1 ZINC000787268230 1081101976 /nfs/dbraw/zinc/10/19/76/1081101976.db2.gz WLXDFUGGGMMJCW-RXVVDRJESA-N 1 0 414.550 2.385 20 0 HEADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000769517547 1081105624 /nfs/dbraw/zinc/10/56/24/1081105624.db2.gz OWIWKMXHTYSVRT-AQNXPRMDSA-N 1 0 410.603 2.161 20 0 HEADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCNS(=O)(=O)c1cccnc1 ZINC000769532170 1081111712 /nfs/dbraw/zinc/11/17/12/1081111712.db2.gz NWVKCFNFWGLVLJ-CVEARBPZSA-N 1 0 412.556 2.128 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000769615084 1081172738 /nfs/dbraw/zinc/17/27/38/1081172738.db2.gz OGDCESCFNSYVHS-FUHWJXTLSA-N 1 0 409.527 2.167 20 0 HEADRO C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164398076 718836603 /nfs/dbraw/zinc/83/66/03/718836603.db2.gz AKKRAGGFUVBNJZ-OAHLLOKOSA-N 1 0 423.037 2.491 20 0 HEADRO C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164405011 718839814 /nfs/dbraw/zinc/83/98/14/718839814.db2.gz ODBVCQFFDYCFBG-INIZCTEOSA-N 1 0 412.607 2.260 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN([C@@H](F)Oc1ccc(Cl)nc1)C2 ZINC001164434317 718969089 /nfs/dbraw/zinc/96/90/89/718969089.db2.gz QBJQMMCUPZSDPC-KFWWJZLASA-N 1 0 411.783 2.384 20 0 HEADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN([C@@H](F)Oc1cncc(Cl)n1)C2 ZINC001164614163 719011232 /nfs/dbraw/zinc/01/12/32/719011232.db2.gz DEJWLOLSZHEDAK-XVSDVWIESA-N 1 0 412.893 2.407 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)c(F)c4c3C(=O)NC4)CC2)CC1 ZINC001164618488 719027792 /nfs/dbraw/zinc/02/77/92/719027792.db2.gz XLFYQSIBKLODJZ-UHFFFAOYSA-N 1 0 424.904 2.361 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C)cc3C(=O)N(C)OC)CC2)CC1 ZINC001164618478 719029911 /nfs/dbraw/zinc/02/99/11/719029911.db2.gz XGWKLNZZGAEUTE-UHFFFAOYSA-N 1 0 418.538 2.267 20 0 HEADRO NS(=O)(=O)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164629156 719072912 /nfs/dbraw/zinc/07/29/12/719072912.db2.gz WCQFBDYWRBTXRN-YJBOKZPZSA-N 1 0 406.939 2.483 20 0 HEADRO CCNS(=O)(=O)c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629264 719086182 /nfs/dbraw/zinc/08/61/82/719086182.db2.gz WVHXMXRQVUDCNR-RBUKOAKNSA-N 1 0 400.548 2.481 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164621647 719096761 /nfs/dbraw/zinc/09/67/61/719096761.db2.gz ALQYJRBIYQUPQM-UYAOXDASSA-N 1 0 400.548 2.433 20 0 HEADRO COC(=O)c1cc2c(nc(Cl)nc2-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)[nH]1 ZINC001164681651 719629619 /nfs/dbraw/zinc/62/96/19/719629619.db2.gz KNFRACFWBMELBL-UHFFFAOYSA-N 1 0 417.901 2.070 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164686772 719716743 /nfs/dbraw/zinc/71/67/43/719716743.db2.gz RURANAOPCJLWQQ-UHFFFAOYSA-N 1 0 402.873 2.383 20 0 HEADRO CCOC(=O)c1cc2ncnc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)c2s1 ZINC001164687519 719731527 /nfs/dbraw/zinc/73/15/27/719731527.db2.gz YSBIWLRSVXCGHE-UHFFFAOYSA-N 1 0 417.535 2.049 20 0 HEADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCOCC5)ncn4)CC3)C2)c1 ZINC001164696135 719887576 /nfs/dbraw/zinc/88/75/76/719887576.db2.gz YZJOTNCBYYXFTG-UHFFFAOYSA-N 1 0 415.563 2.246 20 0 HEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(CN3CCOCC3)cn1)C2 ZINC001164814223 720077409 /nfs/dbraw/zinc/07/74/09/720077409.db2.gz WCFWJVCPSJUAJK-GMAHTHKFSA-N 1 0 400.567 2.099 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1ncn3C)CC2 ZINC001164712593 720099323 /nfs/dbraw/zinc/09/93/23/720099323.db2.gz 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ZINC001164763571 721016470 /nfs/dbraw/zinc/01/64/70/721016470.db2.gz YEQGLEOFJXOPRK-NRSPTQNISA-N 1 0 409.534 2.181 20 0 HEADRO COC(=O)c1ccc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870944 721044899 /nfs/dbraw/zinc/04/48/99/721044899.db2.gz XNFZDGMEQDOYEN-JKSUJKDBSA-N 1 0 402.882 2.396 20 0 HEADRO COC(=O)c1c(Cl)ccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868639 721052842 /nfs/dbraw/zinc/05/28/42/721052842.db2.gz OXOXYWHHRFEGSD-JKSUJKDBSA-N 1 0 402.882 2.396 20 0 HEADRO COC(=O)c1cccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncc21 ZINC001164865900 721070026 /nfs/dbraw/zinc/07/00/26/721070026.db2.gz BLZZGUBBSQKHOW-QZTJIDSGSA-N 1 0 419.485 2.291 20 0 HEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CCCCC4)C[C@@H]3C2)cn1 ZINC001164762259 721079865 /nfs/dbraw/zinc/07/98/65/721079865.db2.gz DOPADLYMTFCEBM-UXHICEINSA-N 1 0 408.550 2.400 20 0 HEADRO CNC(=O)[C@]12C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164869621 721209078 /nfs/dbraw/zinc/20/90/78/721209078.db2.gz QZUVJFBHTGZVMR-IIBYNOLFSA-N 1 0 414.941 2.477 20 0 HEADRO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]32)C1=O ZINC001164875027 721231505 /nfs/dbraw/zinc/23/15/05/721231505.db2.gz VHWOSJQHNKLMAQ-SELNLUPBSA-N 1 0 411.550 2.422 20 0 HEADRO COc1cc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(Cl)n1 ZINC001164761475 721243367 /nfs/dbraw/zinc/24/33/67/721243367.db2.gz ISZAXDQXEVBUAP-UONOGXRCSA-N 1 0 412.872 2.375 20 0 HEADRO O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164766644 721258249 /nfs/dbraw/zinc/25/82/49/721258249.db2.gz VCYDBFSEMZMNQK-HMXCVIKNSA-N 1 0 410.518 2.286 20 0 HEADRO Cc1csc2ncnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c12 ZINC001164876765 721261101 /nfs/dbraw/zinc/26/11/01/721261101.db2.gz PJGIBPWTIQCDAW-UHFFFAOYSA-N 1 0 403.552 2.007 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4[nH]c5ccccc5c43)CC2)C1 ZINC001164874301 721275039 /nfs/dbraw/zinc/27/50/39/721275039.db2.gz PPLCDCDQNQWJOU-UHFFFAOYSA-N 1 0 422.533 2.118 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(-c4ccccc4)ncn3)CC2)C1 ZINC001164872934 721283234 /nfs/dbraw/zinc/28/32/34/721283234.db2.gz IOAPZEYIBXRRIW-UHFFFAOYSA-N 1 0 409.534 2.151 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)n2)CC1 ZINC001164874665 721317752 /nfs/dbraw/zinc/31/77/52/721317752.db2.gz DMIKYWXJBISALA-HXUWFJFHSA-N 1 0 405.546 2.334 20 0 HEADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ncn4C)C2)C1 ZINC001164777332 721336928 /nfs/dbraw/zinc/33/69/28/721336928.db2.gz MABJHKULHSVDEV-OAQYLSRUSA-N 1 0 411.510 2.087 20 0 HEADRO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164884167 721343806 /nfs/dbraw/zinc/34/38/06/721343806.db2.gz MSYQPYQDVKLBGG-AUSIDOKSSA-N 1 0 414.550 2.068 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncn4)C3)O2)CC1 ZINC001164885646 721378971 /nfs/dbraw/zinc/37/89/71/721378971.db2.gz CXTKHERYBCOFFH-QAPCUYQASA-N 1 0 415.916 2.440 20 0 HEADRO COC(=O)c1cnc(Cl)cc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890577 721382090 /nfs/dbraw/zinc/38/20/90/721382090.db2.gz OKSCSHFKKOJPLR-KKSFZXQISA-N 1 0 422.957 2.287 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cccnc54)C3)O2)CC1 ZINC001164894544 721394740 /nfs/dbraw/zinc/39/47/40/721394740.db2.gz YYVCURHLLCEVFI-HRAATJIYSA-N 1 0 416.957 2.444 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cnccc54)C3)O2)CC1 ZINC001164891420 721400128 /nfs/dbraw/zinc/40/01/28/721400128.db2.gz WBWUCUVVCVKCLA-HRAATJIYSA-N 1 0 416.957 2.444 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164887137 721406676 /nfs/dbraw/zinc/40/66/76/721406676.db2.gz LDMHXCGPYIAFCF-FOIQADDNSA-N 1 0 404.946 2.377 20 0 HEADRO CCOC(=O)c1cc(C)cnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885873 721411912 /nfs/dbraw/zinc/41/19/12/721411912.db2.gz HSKCAHVUVNZVEN-WMZHIEFXSA-N 1 0 416.566 2.332 20 0 HEADRO COc1ccc2ncc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2c1 ZINC001164892884 721412846 /nfs/dbraw/zinc/41/28/46/721412846.db2.gz ZABIGGLURQXGTG-CVDCTZTESA-N 1 0 411.550 2.404 20 0 HEADRO CCN(CC)c1cncc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891945 721424658 /nfs/dbraw/zinc/42/46/58/721424658.db2.gz WXJLXUYZAFTAHQ-KNQAVFIVSA-N 1 0 402.587 2.088 20 0 HEADRO COC(OC)c1cc(C)cnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164898766 721426870 /nfs/dbraw/zinc/42/68/70/721426870.db2.gz WWUGFEJUJUJTMI-XXBNENTESA-N 1 0 418.582 2.447 20 0 HEADRO CCOCc1cnc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164899312 721428406 /nfs/dbraw/zinc/42/84/06/721428406.db2.gz YGPPGPPOPZSWLA-NQIIRXRSSA-N 1 0 423.989 2.432 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nccnc4Cl)C3)O2)CC1 ZINC001164896678 721429007 /nfs/dbraw/zinc/42/90/07/721429007.db2.gz RSYDKFAPBRXAJC-CRAIPNDOSA-N 1 0 415.916 2.440 20 0 HEADRO CC(C)n1cnc2cnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc21 ZINC001164899187 721435738 /nfs/dbraw/zinc/43/57/38/721435738.db2.gz YCLHTSNXPMIUOU-PGRDOPGGSA-N 1 0 413.570 2.173 20 0 HEADRO Cc1noc(-c2ccnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2)n1 ZINC001164895784 721437933 /nfs/dbraw/zinc/43/79/33/721437933.db2.gz PLMMQYQSGZOPLE-DENIHFKCSA-N 1 0 412.538 2.205 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(C(N)=O)cc5ccccc54)C3)O2)CC1 ZINC001164895402 721439640 /nfs/dbraw/zinc/43/96/40/721439640.db2.gz OKTFZSMLINUKPR-NTKDMRAZSA-N 1 0 423.561 2.099 20 0 HEADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C)c1C(N)=O)CC2 ZINC001164790072 721458504 /nfs/dbraw/zinc/45/85/04/721458504.db2.gz ZMAHWLOVMUKBMZ-IBGZPJMESA-N 1 0 416.566 2.223 20 0 HEADRO C[NH+](C)Cc1ccnc(N2C[C@@H]3COC[C@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)c1 ZINC001164896967 721479164 /nfs/dbraw/zinc/47/91/64/721479164.db2.gz YTEQIALCTCZXKS-NLWGTHIKSA-N 1 0 404.530 2.193 20 0 HEADRO O=C([C@@H]1CCO[C@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]12)N1CCCO1 ZINC001164793283 721482979 /nfs/dbraw/zinc/48/29/79/721482979.db2.gz UDJPMBGARMIYSX-AABGKKOBSA-N 1 0 400.523 2.073 20 0 HEADRO Cc1nc2c(nc(Cl)nc2N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)s1 ZINC001164797708 721514317 /nfs/dbraw/zinc/51/43/17/721514317.db2.gz LHWDQEUMEDLNCX-UHFFFAOYSA-N 1 0 418.958 2.012 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(F)cc4ncnc(Cl)c42)CC3)CC1 ZINC001164797096 721517166 /nfs/dbraw/zinc/51/71/66/721517166.db2.gz GFMKQKLUUGCJGG-UHFFFAOYSA-N 1 0 415.904 2.386 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc(OCc4ccccc4)cn2)CC3)CC1 ZINC001164797093 721517615 /nfs/dbraw/zinc/51/76/15/721517615.db2.gz GDARLGADNURNTO-UHFFFAOYSA-N 1 0 419.533 2.020 20 0 HEADRO COc1ccccc1-c1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ncn1 ZINC001164795633 721520057 /nfs/dbraw/zinc/52/00/57/721520057.db2.gz PRZHTNLLWHFOND-UHFFFAOYSA-N 1 0 419.533 2.116 20 0 HEADRO CCOC(=O)c1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164896263 721523564 /nfs/dbraw/zinc/52/35/64/721523564.db2.gz AEKVAHYMMYAYCH-WMZOPIPTSA-N 1 0 400.454 2.443 20 0 HEADRO CCOC(=O)c1cnc(OC)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903995 721530692 /nfs/dbraw/zinc/53/06/92/721530692.db2.gz DTQAQYGDNUNRLN-NVXWUHKLSA-N 1 0 416.453 2.143 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)c(Cl)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164805542 721531479 /nfs/dbraw/zinc/53/14/79/721531479.db2.gz MEXPQTVFIOUMAR-ZHALLVOQSA-N 1 0 401.898 2.097 20 0 HEADRO CCOC(=O)Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164906950 721539225 /nfs/dbraw/zinc/53/92/25/721539225.db2.gz MAPYLXZOFLHAMD-IEBWSBKVSA-N 1 0 400.454 2.063 20 0 HEADRO COC(OC)c1c(CO)ccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902988 721546752 /nfs/dbraw/zinc/54/67/52/721546752.db2.gz BPYCCLMQDJMBGK-MJGOQNOKSA-N 1 0 417.481 2.346 20 0 HEADRO COC(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903096 721560009 /nfs/dbraw/zinc/56/00/09/721560009.db2.gz AJZXYKLIVWUQEL-DZGCQCFKSA-N 1 0 406.845 2.398 20 0 HEADRO CCCNC(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164806246 721579376 /nfs/dbraw/zinc/57/93/76/721579376.db2.gz MPCDLZBMPSHFGP-URVUXULASA-N 1 0 409.534 2.485 20 0 HEADRO CCCNC(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164806245 721579610 /nfs/dbraw/zinc/57/96/10/721579610.db2.gz MPCDLZBMPSHFGP-RZUBCFFCSA-N 1 0 409.534 2.485 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@H]32)nc1 ZINC001164801452 721596736 /nfs/dbraw/zinc/59/67/36/721596736.db2.gz RGOGCSHTHWIVLF-CGXNFDGLSA-N 1 0 414.550 2.224 20 0 HEADRO CN(C)C(=O)c1cncc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911652 721727177 /nfs/dbraw/zinc/72/71/77/721727177.db2.gz JVVDTORTNFCBLH-HXUWFJFHSA-N 1 0 416.476 2.311 20 0 HEADRO CCOC(=O)c1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ncc1Cl ZINC001165007444 721730657 /nfs/dbraw/zinc/73/06/57/721730657.db2.gz CUZYVVGMYRJJSS-UHFFFAOYSA-N 1 0 408.930 2.435 20 0 HEADRO CCOC(=O)c1cc2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)[nH]c-2n1 ZINC001165011505 721741230 /nfs/dbraw/zinc/74/12/30/721741230.db2.gz YEYKYSVKOYNEEB-UHFFFAOYSA-N 1 0 413.522 2.263 20 0 HEADRO COC(=O)/C=C/c1cc(C)cnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010430 721742634 /nfs/dbraw/zinc/74/26/34/721742634.db2.gz MJCXJRFSZWOPIQ-VOTSOKGWSA-N 1 0 400.523 2.099 20 0 HEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(C(N)=O)n3)C[C@H]21 ZINC001165020293 721808569 /nfs/dbraw/zinc/80/85/69/721808569.db2.gz FBWKSTLZHYDNQV-FRFSOERESA-N 1 0 400.914 2.361 20 0 HEADRO C[C@@H]1C(=O)Nc2cnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2N1C ZINC001165028270 721813559 /nfs/dbraw/zinc/81/35/59/721813559.db2.gz WZBJMZCRZMTCGV-JMVFIXPQSA-N 1 0 421.549 2.385 20 0 HEADRO Cc1cc2c(c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n1)C(=O)NC2=O ZINC001165024537 721822639 /nfs/dbraw/zinc/82/26/39/721822639.db2.gz KKBPGGJYWUMXQA-KFKAGJAMSA-N 1 0 405.502 2.406 20 0 HEADRO Cc1cc2c(c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n1)C(=O)NC2=O ZINC001165024534 721822697 /nfs/dbraw/zinc/82/26/97/721822697.db2.gz KKBPGGJYWUMXQA-IPELMVKDSA-N 1 0 405.502 2.406 20 0 HEADRO CNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165025661 721823383 /nfs/dbraw/zinc/82/33/83/721823383.db2.gz NIXNAYWPEDDFPW-FFZOFVMBSA-N 1 0 415.563 2.122 20 0 HEADRO COC(=O)c1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165022477 721839371 /nfs/dbraw/zinc/83/93/71/721839371.db2.gz TZJMJZISARMCTQ-UHFFFAOYSA-N 1 0 400.479 2.381 20 0 HEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)cnc2C(N)=O)CC1 ZINC001165019269 721839886 /nfs/dbraw/zinc/83/98/86/721839886.db2.gz BXWWOVRNJIVFCL-UHFFFAOYSA-N 1 0 419.913 2.347 20 0 HEADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164932497 721849522 /nfs/dbraw/zinc/84/95/22/721849522.db2.gz YKFTZCXAZJQSTP-ZIAGYGMSSA-N 1 0 417.888 2.066 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)cc(N2CCCC2)n1 ZINC001164929017 721853523 /nfs/dbraw/zinc/85/35/23/721853523.db2.gz PWQLPELROANMDX-GJZGRUSLSA-N 1 0 414.932 2.490 20 0 HEADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2c1ccn2COC(=O)C(C)(C)C ZINC001164921923 721864134 /nfs/dbraw/zinc/86/41/34/721864134.db2.gz DVNAZFJOUTYVFD-MSOLQXFVSA-N 1 0 414.554 2.193 20 0 HEADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164922341 721873347 /nfs/dbraw/zinc/87/33/47/721873347.db2.gz FUSWQCPGFLBPAL-MSOLQXFVSA-N 1 0 417.554 2.067 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(N2CCN(c3ccccc3)CC2)ncn1 ZINC001164932896 721884682 /nfs/dbraw/zinc/88/46/82/721884682.db2.gz KFBGUFNTENPSEQ-FCHUYYIVSA-N 1 0 421.593 2.018 20 0 HEADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@@H]21 ZINC001164944398 721953918 /nfs/dbraw/zinc/95/39/18/721953918.db2.gz JXMMXUCOTQFGNQ-RBUKOAKNSA-N 1 0 403.914 2.075 20 0 HEADRO CC1(C)NC(=O)N(Cc2ccc(N3CC[NH+](CCOc4ccccc4)CC3)nc2)C1=O ZINC001165044015 721960025 /nfs/dbraw/zinc/96/00/25/721960025.db2.gz CDUNQVGYGTYXHD-UHFFFAOYSA-N 1 0 423.517 2.113 20 0 HEADRO CCNS(=O)(=O)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164956040 722021798 /nfs/dbraw/zinc/02/17/98/722021798.db2.gz UWACRDNIAZIKLT-UHFFFAOYSA-N 1 0 415.563 2.267 20 0 HEADRO O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164962076 722034379 /nfs/dbraw/zinc/03/43/79/722034379.db2.gz XFXZCGQTEXYQMF-YKSBVNFPSA-N 1 0 421.545 2.484 20 0 HEADRO CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@@H]21 ZINC001164968753 722081163 /nfs/dbraw/zinc/08/11/63/722081163.db2.gz DWFKFXGJSZMYTO-BVSLBCMMSA-N 1 0 408.550 2.388 20 0 HEADRO COc1cnc(SC)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984360 722102741 /nfs/dbraw/zinc/10/27/41/722102741.db2.gz SUFITKBBKVFUSS-FUHWJXTLSA-N 1 0 401.536 2.329 20 0 HEADRO COC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1 ZINC001164973872 722111252 /nfs/dbraw/zinc/11/12/52/722111252.db2.gz HTUQBLJXSFEFLR-APWZRJJASA-N 1 0 400.454 2.130 20 0 HEADRO COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971393 722118540 /nfs/dbraw/zinc/11/85/40/722118540.db2.gz BVNMDLISAXCDSQ-YLJYHZDGSA-N 1 0 414.481 2.438 20 0 HEADRO COC(=O)c1cc(F)c(C)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971390 722118684 /nfs/dbraw/zinc/11/86/84/722118684.db2.gz BVNMDLISAXCDSQ-FXAWDEMLSA-N 1 0 414.481 2.438 20 0 HEADRO COC(=O)c1nc(Cl)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972417 722120373 /nfs/dbraw/zinc/12/03/73/722120373.db2.gz FDYATNLHGFXGGQ-HZPDHXFCSA-N 1 0 417.897 2.039 20 0 HEADRO CC(C)c1nc(N(C)C)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979777 722126535 /nfs/dbraw/zinc/12/65/35/722126535.db2.gz PXLVEPZRPGRORV-OALUTQOASA-N 1 0 411.554 2.183 20 0 HEADRO COc1cnc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984195 722135361 /nfs/dbraw/zinc/13/53/61/722135361.db2.gz WIUFGSQLWBLETR-FXAWDEMLSA-N 1 0 406.490 2.156 20 0 HEADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N(C)C)[nH+]c(C)n4)CC[C@H]32)cs1 ZINC001164991606 722175943 /nfs/dbraw/zinc/17/59/43/722175943.db2.gz YLHKJKCSONQZPT-MSOLQXFVSA-N 1 0 402.568 2.486 20 0 HEADRO Cc1nc(CN2CCO[C@H]3CCN(c4ncc(C)c(C5C[NH2+]C5)n4)CC[C@@H]32)cs1 ZINC001164989682 722186785 /nfs/dbraw/zinc/18/67/85/722186785.db2.gz PPNJKVUJQRZCSY-OALUTQOASA-N 1 0 414.579 2.107 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3cc(Cl)cnc31)CCC2 ZINC001165001806 722254574 /nfs/dbraw/zinc/25/45/74/722254574.db2.gz GEDRAVGULUMLKD-UHFFFAOYSA-N 1 0 401.902 2.363 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(C(=O)N3CCCC3)ccn1)CCC2 ZINC001165001860 722255290 /nfs/dbraw/zinc/25/52/90/722255290.db2.gz HMQSRZQDEAODCH-UHFFFAOYSA-N 1 0 412.538 2.003 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nccnc1Cl)CCC2 ZINC001165002411 722255570 /nfs/dbraw/zinc/25/55/70/722255570.db2.gz OWAAHCRGRUFABJ-UHFFFAOYSA-N 1 0 400.861 2.360 20 0 HEADRO COC(=O)c1cc2c[nH]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)cc-2n1 ZINC001165002903 722255578 /nfs/dbraw/zinc/25/55/78/722255578.db2.gz WWYYPDMWYFKSKS-UHFFFAOYSA-N 1 0 412.494 2.035 20 0 HEADRO C[C@@H]1C[C@H](NS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CC[N@@H+]1C ZINC000769659342 1078496269 /nfs/dbraw/zinc/49/62/69/1078496269.db2.gz HTSGTQBCWQJTQP-YLJYHZDGSA-N 1 0 423.579 2.437 20 0 HEADRO COc1ccccc1COC1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000769713123 1078532218 /nfs/dbraw/zinc/53/22/18/1078532218.db2.gz VRWAKLRKCMUWAZ-ICSRJNTNSA-N 1 0 403.523 2.249 20 0 HEADRO COc1ccccc1COC1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000769713131 1078532330 /nfs/dbraw/zinc/53/23/30/1078532330.db2.gz VRWAKLRKCMUWAZ-UYAOXDASSA-N 1 0 403.523 2.249 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000769735039 1078553270 /nfs/dbraw/zinc/55/32/70/1078553270.db2.gz FZCZDZZPXBLZOV-MJGOQNOKSA-N 1 0 404.511 2.362 20 0 HEADRO C[C@@H]([NH2+]Cc1nnnn1CC1CCOCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000769796298 1078568700 /nfs/dbraw/zinc/56/87/00/1078568700.db2.gz OVTZMGATLVBLMP-WBVHZDCISA-N 1 0 408.547 2.225 20 0 HEADRO Cc1nccn1-c1ccc(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000745688493 1078600296 /nfs/dbraw/zinc/60/02/96/1078600296.db2.gz RFKIWGMVIGITEI-UHFFFAOYSA-N 1 0 412.538 2.362 20 0 HEADRO C[C@H](NC(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1)C(=O)N1CCCCC1 ZINC000769919581 1078634958 /nfs/dbraw/zinc/63/49/58/1078634958.db2.gz ACSNJHSZHSJZBZ-FUHWJXTLSA-N 1 0 424.586 2.177 20 0 HEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000745792100 1078649465 /nfs/dbraw/zinc/64/94/65/1078649465.db2.gz ASOLXWVLMMYFAS-GOSISDBHSA-N 1 0 412.575 2.386 20 0 HEADRO 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 1078642228 /nfs/dbraw/zinc/64/22/28/1078642228.db2.gz HFZYEPZOTXFKNO-WKOLOUIMSA-N 1 0 414.546 2.366 20 0 HEADRO COc1c(C)cnc(CNC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c1C ZINC000745786620 1078642982 /nfs/dbraw/zinc/64/29/82/1078642982.db2.gz KJUPZEFWNZJKPJ-UHFFFAOYSA-N 1 0 403.571 2.457 20 0 HEADRO Cn1cc(S(=O)(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)nc1Cl ZINC000769891385 1078645216 /nfs/dbraw/zinc/64/52/16/1078645216.db2.gz CEKMRVAIOHKIMG-AWEZNQCLSA-N 1 0 410.927 2.340 20 0 HEADRO C[C@@H]1C[N@@H+](Cc2ccc(CNS(=O)(=O)c3cn(C)c(Cl)n3)cc2)C[C@H](C)O1 ZINC000769892165 1078645799 /nfs/dbraw/zinc/64/57/99/1078645799.db2.gz HFUMPQYMDRHRMC-OKILXGFUSA-N 1 0 412.943 2.161 20 0 HEADRO CCOC(=O)CN(CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C(C)(C)C ZINC000769943283 1078647197 /nfs/dbraw/zinc/64/71/97/1078647197.db2.gz NFCDWLLISNOPQW-UHFFFAOYSA-N 1 0 404.555 2.431 20 0 HEADRO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769947102 1078648570 /nfs/dbraw/zinc/64/85/70/1078648570.db2.gz SGSQYSXYOHOXHD-FUHWJXTLSA-N 1 0 424.586 2.068 20 0 HEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000745796586 1078651203 /nfs/dbraw/zinc/65/12/03/1078651203.db2.gz CBRNVWYWQLMKBM-QZTJIDSGSA-N 1 0 412.575 2.386 20 0 HEADRO C[C@@H](CNC(=O)NCCc1ccc(Br)cc1F)C[NH+]1CCN(C)CC1 ZINC000745810718 1078656877 /nfs/dbraw/zinc/65/68/77/1078656877.db2.gz NDPAMSXTCLUGAK-AWEZNQCLSA-N 1 0 415.351 2.313 20 0 HEADRO C[C@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCN1C(=O)OC(C)(C)C ZINC000745825368 1078664933 /nfs/dbraw/zinc/66/49/33/1078664933.db2.gz PCCTYZJZAFAQDK-WMZOPIPTSA-N 1 0 410.559 2.281 20 0 HEADRO CN(C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000745825112 1078665368 /nfs/dbraw/zinc/66/53/68/1078665368.db2.gz NQNUVKUHBIYTDB-VQTJNVASSA-N 1 0 400.523 2.077 20 0 HEADRO CN(CCC1CC[NH+](CCn2nc3ccccn3c2=O)CC1)C(=O)OC(C)(C)C ZINC000769942113 1078666402 /nfs/dbraw/zinc/66/64/02/1078666402.db2.gz HAGSVKZTBZUYCD-UHFFFAOYSA-N 1 0 403.527 2.465 20 0 HEADRO 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 1078666919 /nfs/dbraw/zinc/66/69/19/1078666919.db2.gz KIWHQIAGDCTMMU-UVARLRKDSA-N 1 0 424.904 2.187 20 0 HEADRO CCc1ccc(N2CCN(C(=O)NC[C@@H](C)C[NH+]3CCN(CC)CC3)CC2)cc1 ZINC000745863851 1078667353 /nfs/dbraw/zinc/66/73/53/1078667353.db2.gz YLCVSLVMQTVPKX-HXUWFJFHSA-N 1 0 401.599 2.354 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000745861214 1078676495 /nfs/dbraw/zinc/67/64/95/1078676495.db2.gz ANABWEVVXNSVPV-MAUKXSAKSA-N 1 0 416.488 2.312 20 0 HEADRO C[C@@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000745861703 1078676949 /nfs/dbraw/zinc/67/69/49/1078676949.db2.gz DQMNDYIXRLHYBJ-SUMWQHHRSA-N 1 0 403.354 2.210 20 0 HEADRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 ZINC000769995866 1078678892 /nfs/dbraw/zinc/67/88/92/1078678892.db2.gz LYOBRIXQNKFXRL-YTQUADARSA-N 1 0 405.495 2.233 20 0 HEADRO CN1CCC(CNC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)([NH+]2CCCCC2)CC1 ZINC000745878928 1078682820 /nfs/dbraw/zinc/68/28/20/1078682820.db2.gz VDCLYPFGTKILAK-OAQYLSRUSA-N 1 0 424.536 2.422 20 0 HEADRO COC(=O)[C@@]1(NC(=O)c2cc3c(cc2O)OCO3)CCC[N@H+](Cc2ccccc2)C1 ZINC000769977406 1078671607 /nfs/dbraw/zinc/67/16/07/1078671607.db2.gz DIGXNDDZHVJZLC-JOCHJYFZSA-N 1 0 412.442 2.059 20 0 HEADRO COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000770007467 1078683487 /nfs/dbraw/zinc/68/34/87/1078683487.db2.gz GRQXNXPPZPRRNZ-OAQYLSRUSA-N 1 0 411.502 2.122 20 0 HEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)[C@@H](C)C1 ZINC000770021938 1078691911 /nfs/dbraw/zinc/69/19/11/1078691911.db2.gz YYPXXROKTBBZQC-MUGJNUQGSA-N 1 0 421.586 2.012 20 0 HEADRO C[C@](O)(CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000770035373 1078698774 /nfs/dbraw/zinc/69/87/74/1078698774.db2.gz LTCLELWMKZPMSO-QHCPKHFHSA-N 1 0 413.493 2.426 20 0 HEADRO CCN(CC1CC[NH+](CC(=O)N(C)Cc2cnn(C)c2)CC1)C(=O)OC(C)(C)C ZINC000745945452 1078709102 /nfs/dbraw/zinc/70/91/02/1078709102.db2.gz FVRJBUVCSVFREZ-UHFFFAOYSA-N 1 0 407.559 2.348 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCO[C@@H](C)C3)cc2Cl)CC1 ZINC000770090492 1078716546 /nfs/dbraw/zinc/71/65/46/1078716546.db2.gz XAZZUQOCMONERK-DOTOQJQBSA-N 1 0 422.957 2.494 20 0 HEADRO CC(C)C[C@H]1CC[N@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 ZINC000745986476 1078719718 /nfs/dbraw/zinc/71/97/18/1078719718.db2.gz IELVGNMOPNAVNQ-XMSQKQJNSA-N 1 0 400.523 2.329 20 0 HEADRO Cc1cnccc1C[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013128 1078736022 /nfs/dbraw/zinc/73/60/22/1078736022.db2.gz CKZCDFGXZOYKRP-SJORKVTESA-N 1 0 406.552 2.391 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000746037539 1078738898 /nfs/dbraw/zinc/73/88/98/1078738898.db2.gz HGSBJSJITBULDH-MRXNPFEDSA-N 1 0 403.523 2.500 20 0 HEADRO CCOC(=O)C1=C(C[NH2+]C(C)(C)CC(=O)OC)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000770191047 1078753449 /nfs/dbraw/zinc/75/34/49/1078753449.db2.gz KWTALCQFDHSQSM-QGZVFWFLSA-N 1 0 423.897 2.442 20 0 HEADRO Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)CC[NH+]3CCN(C)CC3)CCC2=O)cc1C ZINC000770171497 1078767362 /nfs/dbraw/zinc/76/73/62/1078767362.db2.gz BIYRFONXHSZMLO-UXHICEINSA-N 1 0 400.567 2.189 20 0 HEADRO CCCc1ccc(N2C[C@@H](C(=O)N[C@@H](C)CC[NH+]3CCN(C)CC3)CC2=O)cc1 ZINC000770174107 1078769875 /nfs/dbraw/zinc/76/98/75/1078769875.db2.gz RYEISCSNTBURSJ-ICSRJNTNSA-N 1 0 400.567 2.134 20 0 HEADRO COC(=O)c1ccc(S(=O)(=O)N(CCc2ccccc2)CC[NH+](C)C)cc1F ZINC000770229748 1078776119 /nfs/dbraw/zinc/77/61/19/1078776119.db2.gz VIWUKIIOMBFZLB-UHFFFAOYSA-N 1 0 408.495 2.407 20 0 HEADRO CC[NH+]1CCN(CCC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)CC1 ZINC000746100504 1078785877 /nfs/dbraw/zinc/78/58/77/1078785877.db2.gz SFZDCHZACSHNIV-UHFFFAOYSA-N 1 0 420.426 2.058 20 0 HEADRO CC[NH+]1CCN(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CC1 ZINC000746135194 1078802450 /nfs/dbraw/zinc/80/24/50/1078802450.db2.gz QPZCXGMFJVPIGI-SFHVURJKSA-N 1 0 420.554 2.015 20 0 HEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000746099557 1078793563 /nfs/dbraw/zinc/79/35/63/1078793563.db2.gz XGUZZPFEHNUCOF-AWEZNQCLSA-N 1 0 424.498 2.177 20 0 HEADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCNc1ccc(C(F)(F)F)cn1 ZINC000746120232 1078796226 /nfs/dbraw/zinc/79/62/26/1078796226.db2.gz FNMVXMROKNIFLN-UHFFFAOYSA-N 1 0 422.455 2.236 20 0 HEADRO O=C(NCCNS(=O)(=O)Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000746125268 1078798036 /nfs/dbraw/zinc/79/80/36/1078798036.db2.gz PEEWAHLWOWFEFB-NRFANRHFSA-N 1 0 415.559 2.277 20 0 HEADRO O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746126845 1078799126 /nfs/dbraw/zinc/79/91/26/1078799126.db2.gz QIQOLGSTHRIVNT-QHCPKHFHSA-N 1 0 407.470 2.306 20 0 HEADRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3cccc(N4CCOC4=O)c3)c2)CC1 ZINC000746133783 1078801743 /nfs/dbraw/zinc/80/17/43/1078801743.db2.gz ZVQZPOHJQTYYIV-UHFFFAOYSA-N 1 0 408.502 2.321 20 0 HEADRO CN(CCCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C(=O)OC(C)(C)C ZINC000746135928 1078802089 /nfs/dbraw/zinc/80/20/89/1078802089.db2.gz YJLCBLUODPVQAL-UHFFFAOYSA-N 1 0 404.555 2.421 20 0 HEADRO CC[NH+]1CCN(CC(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000746186713 1078812589 /nfs/dbraw/zinc/81/25/89/1078812589.db2.gz UQKSUHZQKPFGCL-RBUKOAKNSA-N 1 0 408.587 2.405 20 0 HEADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)C2=O)cc1 ZINC000746196515 1078815768 /nfs/dbraw/zinc/81/57/68/1078815768.db2.gz JVZVPHVFKXSTMF-JPYJTQIMSA-N 1 0 414.550 2.246 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000770290811 1078817120 /nfs/dbraw/zinc/81/71/20/1078817120.db2.gz BGSDFDNDAFNEFP-AWEZNQCLSA-N 1 0 411.522 2.493 20 0 HEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)/C=C/c1ccccc1Br ZINC000770291954 1078817498 /nfs/dbraw/zinc/81/74/98/1078817498.db2.gz HYKBXJHNROZSFF-UJMHRVFCSA-N 1 0 416.385 2.365 20 0 HEADRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000746190783 1078820144 /nfs/dbraw/zinc/82/01/44/1078820144.db2.gz KTMLJVPGTLBOBQ-MOPGFXCFSA-N 1 0 408.587 2.262 20 0 HEADRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013805 1078822819 /nfs/dbraw/zinc/82/28/19/1078822819.db2.gz KFEYFEHKLVSQQM-WBVHZDCISA-N 1 0 423.583 2.037 20 0 HEADRO CC[NH+](CC)[C@H](C(=O)N1CCCN(CC(N)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000746217949 1078824196 /nfs/dbraw/zinc/82/41/96/1078824196.db2.gz FQYPATYARQBTEZ-SFHVURJKSA-N 1 0 414.472 2.108 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000746219041 1078824493 /nfs/dbraw/zinc/82/44/93/1078824493.db2.gz IISFQTTYHKPLCN-MOPGFXCFSA-N 1 0 405.539 2.071 20 0 HEADRO CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000746220646 1078824940 /nfs/dbraw/zinc/82/49/40/1078824940.db2.gz XVVSXTAEKUCKHR-UXHICEINSA-N 1 0 417.550 2.311 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000746259510 1078827300 /nfs/dbraw/zinc/82/73/00/1078827300.db2.gz QMJJZJXZWZBWQU-PXNSSMCTSA-N 1 0 406.571 2.110 20 0 HEADRO CCN(CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000746260265 1078827593 /nfs/dbraw/zinc/82/75/93/1078827593.db2.gz SNCPWQLRQJHSNQ-JOCHJYFZSA-N 1 0 405.539 2.387 20 0 HEADRO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000770336289 1078836098 /nfs/dbraw/zinc/83/60/98/1078836098.db2.gz NUYPTQRSLSDJSF-UKRRQHHQSA-N 1 0 401.433 2.349 20 0 HEADRO COCCOc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H](O)c3nccn3C)C1)OCO2 ZINC000770340099 1078836460 /nfs/dbraw/zinc/83/64/60/1078836460.db2.gz ZCYNKZXZVJECCI-QRWLVFNGSA-N 1 0 403.479 2.120 20 0 HEADRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000770345510 1078837497 /nfs/dbraw/zinc/83/74/97/1078837497.db2.gz NZDVXXASGJFFOU-QZTJIDSGSA-N 1 0 421.611 2.237 20 0 HEADRO C[NH+](C)CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccccc1 ZINC000746278646 1078842393 /nfs/dbraw/zinc/84/23/93/1078842393.db2.gz NJGSZAXGVQIFEU-QFIPXVFZSA-N 1 0 412.465 2.188 20 0 HEADRO COc1cccc(/C=C(/C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)n2nnnc2C)c1 ZINC000746277230 1078842481 /nfs/dbraw/zinc/84/24/81/1078842481.db2.gz JGGMVCBMDVWGSJ-GFIJVFARSA-N 1 0 412.538 2.472 20 0 HEADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC1=O ZINC000746280243 1078843498 /nfs/dbraw/zinc/84/34/98/1078843498.db2.gz NWDNMURDCLQKCF-FXAWDEMLSA-N 1 0 407.942 2.022 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000746292232 1078844280 /nfs/dbraw/zinc/84/42/80/1078844280.db2.gz AXVXUSHKBAQTNE-LIRRHRJNSA-N 1 0 409.527 2.165 20 0 HEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770434955 1078853176 /nfs/dbraw/zinc/85/31/76/1078853176.db2.gz NKENBNQJWRVQPS-FQEVSTJZSA-N 1 0 415.534 2.406 20 0 HEADRO COc1ccc(C[C@@]2(C)NC(=O)N(CN3C[C@H]([NH+](C)C)Cc4ccccc43)C2=O)cc1 ZINC000766340962 1078853750 /nfs/dbraw/zinc/85/37/50/1078853750.db2.gz TUKDGVSVPPRLMI-NTKDMRAZSA-N 1 0 422.529 2.499 20 0 HEADRO COc1ccc(C[C@]2(C)NC(=O)N(CN3C[C@H]([NH+](C)C)Cc4ccccc43)C2=O)cc1 ZINC000766340960 1078853807 /nfs/dbraw/zinc/85/38/07/1078853807.db2.gz TUKDGVSVPPRLMI-DVECYGJZSA-N 1 0 422.529 2.499 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)CC[NH+]3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000746314378 1078854639 /nfs/dbraw/zinc/85/46/39/1078854639.db2.gz BUGHVZUOKGFZDB-NRFANRHFSA-N 1 0 421.545 2.214 20 0 HEADRO CCn1c(=S)n(CN2C[C@H]([NH+](C)C)Cc3ccccc32)nc1N1CCOCC1 ZINC000766342396 1078860460 /nfs/dbraw/zinc/86/04/60/1078860460.db2.gz ZSSTVNWDIRRIHE-QGZVFWFLSA-N 1 0 402.568 2.221 20 0 HEADRO COc1ccc(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1N1CCOC1=O ZINC000746330049 1078861205 /nfs/dbraw/zinc/86/12/05/1078861205.db2.gz MINQWZPGHAAWAL-JOCHJYFZSA-N 1 0 411.458 2.227 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)CC1=O ZINC000746356119 1078872170 /nfs/dbraw/zinc/87/21/70/1078872170.db2.gz DRZCMYIWAVFAKU-SJLPKXTDSA-N 1 0 414.506 2.223 20 0 HEADRO CN(c1ccc(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000770514672 1078872736 /nfs/dbraw/zinc/87/27/36/1078872736.db2.gz XUFSCPCNMNMLAK-SFHVURJKSA-N 1 0 410.584 2.119 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCCC[NH+](C(C)C)C(C)C)n(C)c1 ZINC000746344222 1078867050 /nfs/dbraw/zinc/86/70/50/1078867050.db2.gz JSBWYDAYKOAWPQ-UHFFFAOYSA-N 1 0 400.589 2.294 20 0 HEADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2ccnn2CC2CC2)[NH+]2CCCC2)c1 ZINC000746343333 1078867139 /nfs/dbraw/zinc/86/71/39/1078867139.db2.gz CTMPSIJGIAICEL-IBGZPJMESA-N 1 0 411.506 2.194 20 0 HEADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccnn2CC2CC2)[NH+]2CCCC2)cc1 ZINC000746344368 1078867461 /nfs/dbraw/zinc/86/74/61/1078867461.db2.gz OBUWBSRUQNTIOO-IBGZPJMESA-N 1 0 411.506 2.194 20 0 HEADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000746366009 1078877162 /nfs/dbraw/zinc/87/71/62/1078877162.db2.gz WWNQIRNZXXJLGJ-UHFFFAOYSA-N 1 0 411.428 2.017 20 0 HEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000766346769 1078883212 /nfs/dbraw/zinc/88/32/12/1078883212.db2.gz SXTRSOBKOCOHJD-SFHVURJKSA-N 1 0 416.522 2.412 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000770590506 1078899481 /nfs/dbraw/zinc/89/94/81/1078899481.db2.gz YAADKSVRPFEINQ-IBGZPJMESA-N 1 0 416.614 2.047 20 0 HEADRO COC(=O)C1(C)CCC([N@H+]2C[C@@H](NC(=O)c3cnoc3C)[C@H]3OCCC[C@H]3C2)CC1 ZINC001168780008 1078898786 /nfs/dbraw/zinc/89/87/86/1078898786.db2.gz NJJQJHSWVPQYCD-ZSRKXJLDSA-N 1 0 419.522 2.314 20 0 HEADRO COC(=O)c1cc2c(nc1N(C)C)CC[N@@H+](C1CCC(C)(C(=O)OC)CC1)CC2 ZINC001168781453 1078904375 /nfs/dbraw/zinc/90/43/75/1078904375.db2.gz CFXURHADLYWDRN-UHFFFAOYSA-N 1 0 403.523 2.457 20 0 HEADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCCc3cccc(Br)c31)C2=O ZINC000766354873 1078910050 /nfs/dbraw/zinc/91/00/50/1078910050.db2.gz UYOBVQWAKYFTNP-UHFFFAOYSA-N 1 0 407.312 2.175 20 0 HEADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000766356095 1078910629 /nfs/dbraw/zinc/91/06/29/1078910629.db2.gz XRKKRGWWMZCUQK-UHFFFAOYSA-N 1 0 419.323 2.416 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000770605496 1078913054 /nfs/dbraw/zinc/91/30/54/1078913054.db2.gz LSOIGMHPZKPREX-ZWKOTPCHSA-N 1 0 411.591 2.101 20 0 HEADRO Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)Nc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000766359622 1078915605 /nfs/dbraw/zinc/91/56/05/1078915605.db2.gz RYDJMMUPYUIOTR-QUCCMNQESA-N 1 0 401.511 2.481 20 0 HEADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000749300484 1078918290 /nfs/dbraw/zinc/91/82/90/1078918290.db2.gz KMYFZQZTENZVBE-OLZOCXBDSA-N 1 0 419.341 2.387 20 0 HEADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000749300485 1078918344 /nfs/dbraw/zinc/91/83/44/1078918344.db2.gz KMYFZQZTENZVBE-QWHCGFSZSA-N 1 0 419.341 2.387 20 0 HEADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000766378826 1078927401 /nfs/dbraw/zinc/92/74/01/1078927401.db2.gz ILPDHJAQBJDNNS-UXHICEINSA-N 1 0 403.523 2.262 20 0 HEADRO CCC[C@@H]1CN(Cn2nc(C(=O)OC)c(Br)c2C)CC[N@@H+]1CCOC ZINC000766379534 1078928833 /nfs/dbraw/zinc/92/88/33/1078928833.db2.gz MQHRLWCIJNZCEW-CQSZACIVSA-N 1 0 417.348 2.131 20 0 HEADRO CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000766379201 1078929417 /nfs/dbraw/zinc/92/94/17/1078929417.db2.gz YVEXNWRDOVXAFU-YZZKKUAISA-N 1 0 424.549 2.130 20 0 HEADRO CCC[C@@H]1CN(CN2C(=O)C[C@@](C)(c3ccc(C)cc3)C2=O)CC[N@@H+]1CCOC ZINC000766383171 1078931598 /nfs/dbraw/zinc/93/15/98/1078931598.db2.gz WZACKDYILOJTBX-OFNKIYASSA-N 1 0 401.551 2.402 20 0 HEADRO COc1ccccc1S(=O)(=O)CCCONC(=[NH2+])[C@H]1COc2ccccc2O1 ZINC000766414093 1078967002 /nfs/dbraw/zinc/96/70/02/1078967002.db2.gz SOVYJKMDVNYKPD-QGZVFWFLSA-N 1 0 406.460 2.197 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CCCOC1 ZINC000770700820 1078969582 /nfs/dbraw/zinc/96/95/82/1078969582.db2.gz PXPZZPMRYWHOBG-LJQANCHMSA-N 1 0 412.870 2.142 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1=NN(CC(C)C)C(=O)CC1 ZINC000766413324 1078970898 /nfs/dbraw/zinc/97/08/98/1078970898.db2.gz JPQCMBZTWXGLOY-UHFFFAOYSA-N 1 0 415.538 2.410 20 0 HEADRO NC(=O)NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC000770710916 1078979228 /nfs/dbraw/zinc/97/92/28/1078979228.db2.gz NOQVWHKYPRCVCM-QGZVFWFLSA-N 1 0 407.417 2.409 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)N[C@@H](CO)CC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000746453093 1078980223 /nfs/dbraw/zinc/98/02/23/1078980223.db2.gz MRKQBXMKCKGGAK-QGZVFWFLSA-N 1 0 404.555 2.069 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)C1 ZINC000746454071 1078983550 /nfs/dbraw/zinc/98/35/50/1078983550.db2.gz OAEVVYUSBUIPGP-SFHVURJKSA-N 1 0 416.522 2.062 20 0 HEADRO Cc1nc(-c2ccccc2NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)no1 ZINC000746454098 1078983578 /nfs/dbraw/zinc/98/35/78/1078983578.db2.gz PWYOUUQCWYWICN-DNVCBOLYSA-N 1 0 409.490 2.459 20 0 HEADRO COC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000746454844 1078985524 /nfs/dbraw/zinc/98/55/24/1078985524.db2.gz UGVSTBFVZOJHSK-KDOFPFPSSA-N 1 0 400.479 2.279 20 0 HEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccn(CC(F)(F)F)c1=O ZINC001168790970 1078988812 /nfs/dbraw/zinc/98/88/12/1078988812.db2.gz AVOIHDXTADDPAX-FQEVSTJZSA-N 1 0 423.435 2.120 20 0 HEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccnc1-c1cnn(C)c1 ZINC001168790972 1078988941 /nfs/dbraw/zinc/98/89/41/1078988941.db2.gz AVSWSFVSOQOMBI-HSZRJFAPSA-N 1 0 405.502 2.191 20 0 HEADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000804278333 1078999252 /nfs/dbraw/zinc/99/92/52/1078999252.db2.gz UTGMRUIGIDCUMF-WJFTUGDTSA-N 1 0 419.616 2.121 20 0 HEADRO COC(=O)C1(C)CCC([NH+]2CCN(CC(=O)NCCc3ccccc3)CC2)CC1 ZINC001168794301 1079002076 /nfs/dbraw/zinc/00/20/76/1079002076.db2.gz QXIROZKJJZOPPS-UHFFFAOYSA-N 1 0 401.551 2.085 20 0 HEADRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766438245 1079003954 /nfs/dbraw/zinc/00/39/54/1079003954.db2.gz SMIUFYVBXOUEPW-BMGDILEWSA-N 1 0 418.581 2.004 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)C[C@@H](O)c3ccccc3)c2)CC1 ZINC000770749248 1079004302 /nfs/dbraw/zinc/00/43/02/1079004302.db2.gz LXLBECNRIGQXFJ-XMSQKQJNSA-N 1 0 424.545 2.395 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000770754500 1079007100 /nfs/dbraw/zinc/00/71/00/1079007100.db2.gz TWWBGWPSRMCYQQ-ZBFHGGJFSA-N 1 0 407.461 2.077 20 0 HEADRO COc1ccc(C(NC(=O)C[NH2+]C2(C(N)=O)CCCC2)c2ccc(OC)cc2)cc1 ZINC000746472116 1079022141 /nfs/dbraw/zinc/02/21/41/1079022141.db2.gz AMNQZSMXJAIEBJ-UHFFFAOYSA-N 1 0 411.502 2.297 20 0 HEADRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766488539 1079028790 /nfs/dbraw/zinc/02/87/90/1079028790.db2.gz LAHRGZDKFSIZEC-HUUCEWRRSA-N 1 0 411.549 2.089 20 0 HEADRO C[C@@H]([NH2+]C1(CNC(=O)C(=O)Nc2ccc(F)nc2)CCOCC1)c1ccccc1 ZINC000766481481 1079034219 /nfs/dbraw/zinc/03/42/19/1079034219.db2.gz ZUKIGWFYSUFPII-OAHLLOKOSA-N 1 0 400.454 2.175 20 0 HEADRO O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000770853081 1079039386 /nfs/dbraw/zinc/03/93/86/1079039386.db2.gz LTLBZHVRSCTSEX-XZOQPEGZSA-N 1 0 412.530 2.105 20 0 HEADRO CCOC(=O)Nc1ccc2c(CN3CC[NH+](CCCCO)CC3)cc(=O)oc2c1 ZINC000746483958 1079042526 /nfs/dbraw/zinc/04/25/26/1079042526.db2.gz KCQIYFCUWOLCFF-UHFFFAOYSA-N 1 0 403.479 2.252 20 0 HEADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3cccnc3N3CCC(O)CC3)c2)CC1 ZINC001168820906 1079045686 /nfs/dbraw/zinc/04/56/86/1079045686.db2.gz JHQMVZPYOATTTD-UHFFFAOYSA-N 1 0 409.534 2.042 20 0 HEADRO CON(C)C(=O)c1ccc(NC(=O)C(C)(C)C)c(N(CC[NH3+])c2cccnc2)n1 ZINC001168830404 1079048379 /nfs/dbraw/zinc/04/83/79/1079048379.db2.gz MVPVPASBCROSMY-UHFFFAOYSA-N 1 0 400.483 2.191 20 0 HEADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000766514264 1079052674 /nfs/dbraw/zinc/05/26/74/1079052674.db2.gz IPQHYBPMLUPWQC-UHFFFAOYSA-N 1 0 423.476 2.329 20 0 HEADRO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)CN1C(=O)OC(C)(C)C ZINC001168854196 1079053109 /nfs/dbraw/zinc/05/31/09/1079053109.db2.gz GNNIFNZFOPKLHS-WHSLLNHNSA-N 1 0 403.527 2.247 20 0 HEADRO C[C@@H]1C[C@H](N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168860607 1079055671 /nfs/dbraw/zinc/05/56/71/1079055671.db2.gz VZWORMLBADCAQY-XMTFNYHQSA-N 1 0 403.527 2.012 20 0 HEADRO C[N@H+](CCCn1ccnc1)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001168859479 1079055679 /nfs/dbraw/zinc/05/56/79/1079055679.db2.gz PGFSJERDFXXIEA-UHFFFAOYSA-N 1 0 419.551 2.018 20 0 HEADRO 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 ZINC001168857970 1079054405 /nfs/dbraw/zinc/05/44/05/1079054405.db2.gz OTELUOXELIVRMS-HPBDAGMYSA-N 1 0 403.527 2.107 20 0 HEADRO 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 1079054427 /nfs/dbraw/zinc/05/44/27/1079054427.db2.gz OTELUOXELIVRMS-DDBAPUKQSA-N 1 0 403.527 2.107 20 0 HEADRO 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 1079054810 /nfs/dbraw/zinc/05/48/10/1079054810.db2.gz PUEMRWDAQJHZBI-TVFCKZIOSA-N 1 0 403.527 2.072 20 0 HEADRO C[C@H]1C[C@@H]([N@@H+]2CCCC23CCN(CC(=O)N(C)C)CC3)CN1C(=O)OC(C)(C)C ZINC001168865416 1079057228 /nfs/dbraw/zinc/05/72/28/1079057228.db2.gz MBQFOYAKSKZGFX-ZWKOTPCHSA-N 1 0 408.587 2.403 20 0 HEADRO C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H]3C(=O)N3CCOCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168865048 1079057238 /nfs/dbraw/zinc/05/72/38/1079057238.db2.gz LSNYCSOWWJHVBR-KURKYZTESA-N 1 0 407.555 2.345 20 0 HEADRO C[C@@H]1C[C@H]([NH+]2CCC3(C[C@H]3C(=O)N3CCOCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168865053 1079057431 /nfs/dbraw/zinc/05/74/31/1079057431.db2.gz LSNYCSOWWJHVBR-SQNIBIBYSA-N 1 0 407.555 2.345 20 0 HEADRO C[C@H]1C[C@H](n2nc(C(=O)NC3CCC3)c3c2CC[NH2+]C3)CN1C(=O)OC(C)(C)C ZINC001168868401 1079058491 /nfs/dbraw/zinc/05/84/91/1079058491.db2.gz SOCUYGVPAJQWTK-ZFWWWQNUSA-N 1 0 403.527 2.382 20 0 HEADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000766511768 1079060202 /nfs/dbraw/zinc/06/02/02/1079060202.db2.gz YUGRGIOCQSQNRX-AWEZNQCLSA-N 1 0 417.460 2.318 20 0 HEADRO NC(=O)[C@@](O)(C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1ccccc1 ZINC001168847584 1079060289 /nfs/dbraw/zinc/06/02/89/1079060289.db2.gz CREJGTZNEVZOAQ-OAQYLSRUSA-N 1 0 417.893 2.069 20 0 HEADRO 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 1079061025 /nfs/dbraw/zinc/06/10/25/1079061025.db2.gz KCNBJHKPWJXKQE-RSRPTUBKSA-N 1 0 407.555 2.390 20 0 HEADRO 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 1079061187 /nfs/dbraw/zinc/06/11/87/1079061187.db2.gz KCNBJHKPWJXKQE-AIHBUXEESA-N 1 0 407.555 2.390 20 0 HEADRO 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 1079062084 /nfs/dbraw/zinc/06/20/84/1079062084.db2.gz RIEKFESOSZZVSY-VHPHOLNESA-N 1 0 423.554 2.133 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(S(C)(=O)=O)c3)CC2=O)cc1 ZINC001168891524 1079062917 /nfs/dbraw/zinc/06/29/17/1079062917.db2.gz GVDVBEIHSDESHS-GOSISDBHSA-N 1 0 402.516 2.380 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(S(C)(=O)=O)c3)CC2=O)cc1 ZINC001168891527 1079062977 /nfs/dbraw/zinc/06/29/77/1079062977.db2.gz GVDVBEIHSDESHS-SFHVURJKSA-N 1 0 402.516 2.380 20 0 HEADRO COc1ccc(CN2CC[C@@H](N(c3cccc(C[NH3+])c3)S(C)(=O)=O)CC2=O)cc1 ZINC001168893157 1079063512 /nfs/dbraw/zinc/06/35/12/1079063512.db2.gz OVJDAOZBASHZTE-LJQANCHMSA-N 1 0 417.531 2.111 20 0 HEADRO COc1ccc(CN2CC[C@H](N(c3ccc(C[NH3+])cc3)S(C)(=O)=O)CC2=O)cc1 ZINC001168894451 1079063768 /nfs/dbraw/zinc/06/37/68/1079063768.db2.gz VYLGRVOUVBTDGD-IBGZPJMESA-N 1 0 417.531 2.111 20 0 HEADRO [NH3+]Cc1cccc(-c2nnn(-c3nnc(Br)cc3Br)n2)c1 ZINC001168887544 1079068804 /nfs/dbraw/zinc/06/88/04/1079068804.db2.gz HDAYYRVGTVQCEO-UHFFFAOYSA-N 1 0 411.061 2.103 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccccc3S(C)(=O)=O)CC2=O)cc1 ZINC001168908387 1079072878 /nfs/dbraw/zinc/07/28/78/1079072878.db2.gz IQNSNZROIDZSLZ-SFHVURJKSA-N 1 0 402.516 2.380 20 0 HEADRO CCC[C@@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC[N@@H+]1CCOC ZINC000766538783 1079073092 /nfs/dbraw/zinc/07/30/92/1079073092.db2.gz YMELVTJCMKLYEH-MRXNPFEDSA-N 1 0 409.914 2.025 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]CC3CCN(c4ccncn4)CC3)CC2=O)cc1 ZINC001168916763 1079075126 /nfs/dbraw/zinc/07/51/26/1079075126.db2.gz UNCMTZHOWMNLGI-FQEVSTJZSA-N 1 0 409.534 2.482 20 0 HEADRO Cc1ccc(S(=O)(=O)NCCCC(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1C ZINC001168932871 1079078059 /nfs/dbraw/zinc/07/80/59/1079078059.db2.gz WGWCODSWBUJRLZ-SFTDATJTSA-N 1 0 407.580 2.162 20 0 HEADRO CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168941890 1079081378 /nfs/dbraw/zinc/08/13/78/1079081378.db2.gz PMQKJLIRQIMWNV-HKUYNNGSSA-N 1 0 402.491 2.030 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(c4nccc(Cl)n4)CC3)CC2=O)cc1 ZINC001168944863 1079082244 /nfs/dbraw/zinc/08/22/44/1079082244.db2.gz QXUHQSZGQVYJBG-KRWDZBQOSA-N 1 0 415.925 2.452 20 0 HEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)C[C@@]2(C)C1 ZINC001168928927 1079087739 /nfs/dbraw/zinc/08/77/39/1079087739.db2.gz DDEDDHLIRGPXEV-OYRHEFFESA-N 1 0 423.554 2.027 20 0 HEADRO COc1ccc(C(=O)CCC(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c(OC)c1OC ZINC001168929714 1079088165 /nfs/dbraw/zinc/08/81/65/1079088165.db2.gz KCERYUPRMDORDG-SZPZYZBQSA-N 1 0 404.507 2.476 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CC[C@@H](Oc4ncc(OC)cn4)C3)CC2=O)cc1 ZINC001168956665 1079090708 /nfs/dbraw/zinc/09/07/08/1079090708.db2.gz WTUMFBSROMKPAP-IEBWSBKVSA-N 1 0 412.490 2.138 20 0 HEADRO COc1c(C)[nH]cc(CN(C)C(=O)Cc2csc(SCC[NH+](C)C)n2)c1=O ZINC001168969800 1079093684 /nfs/dbraw/zinc/09/36/84/1079093684.db2.gz HWWIHZTVARZIMI-UHFFFAOYSA-N 1 0 410.565 2.003 20 0 HEADRO COC(=O)CCn1nc(C)c(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)c1C ZINC001169031421 1079103751 /nfs/dbraw/zinc/10/37/51/1079103751.db2.gz VFKJBEABLNSTCV-UHFFFAOYSA-N 1 0 413.522 2.063 20 0 HEADRO CCOC(=O)[C@H](Nc1ccc([C@H](C)[NH3+])cc1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169045569 1079105263 /nfs/dbraw/zinc/10/52/63/1079105263.db2.gz WJQBBKPKOBSGQO-BKTGTZMESA-N 1 0 406.504 2.187 20 0 HEADRO C[NH+](C)CC1(O)CCN(C(=O)c2nn(-c3ccccc3)cc2Br)CC1 ZINC001169040301 1079107600 /nfs/dbraw/zinc/10/76/00/1079107600.db2.gz BAXXIOWABLNOGD-UHFFFAOYSA-N 1 0 407.312 2.164 20 0 HEADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000771024287 1079107901 /nfs/dbraw/zinc/10/79/01/1079107901.db2.gz DTNSGUACUPLXNK-IUODEOHRSA-N 1 0 409.474 2.075 20 0 HEADRO O=C(CCCCNC(=O)OCc1ccccc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771038858 1079113030 /nfs/dbraw/zinc/11/30/30/1079113030.db2.gz KMGNJCDATJWKBS-HXUWFJFHSA-N 1 0 403.523 2.453 20 0 HEADRO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000766580937 1079122278 /nfs/dbraw/zinc/12/22/78/1079122278.db2.gz CSJRWCXYOIOIIX-CRAIPNDOSA-N 1 0 402.495 2.161 20 0 HEADRO CCOC(=O)c1ccc(-n2cncc2C[C@@H]([NH3+])CO)nc1-c1ccc(F)cc1F ZINC001169072830 1079124964 /nfs/dbraw/zinc/12/49/64/1079124964.db2.gz ZXIRIPWLWOQCDH-CYBMUJFWSA-N 1 0 402.401 2.251 20 0 HEADRO CSc1ccc([C@H](O)[C@H](CO)Nc2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)cc1 ZINC001169087133 1079137130 /nfs/dbraw/zinc/13/71/30/1079137130.db2.gz IBTXNFQYYWKBTB-AABGKKOBSA-N 1 0 413.543 2.066 20 0 HEADRO COC(=O)N(C)Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000766601320 1079147625 /nfs/dbraw/zinc/14/76/25/1079147625.db2.gz CSUGSPLFHHGODG-UHFFFAOYSA-N 1 0 416.522 2.300 20 0 HEADRO CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000766596788 1079143473 /nfs/dbraw/zinc/14/34/73/1079143473.db2.gz QFOGVKQOQGBABF-OAQYLSRUSA-N 1 0 404.532 2.313 20 0 HEADRO NC(=O)C[C@@H]([NH2+]CCCN1CCN(c2ccc(Cl)cc2)CC1)C1CCOCC1 ZINC001169125670 1079145671 /nfs/dbraw/zinc/14/56/71/1079145671.db2.gz SYAFAAAMHQJMGX-HXUWFJFHSA-N 1 0 408.974 2.112 20 0 HEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000766602156 1079149586 /nfs/dbraw/zinc/14/95/86/1079149586.db2.gz BYCIYHKFGPRZJI-FGZHOGPDSA-N 1 0 424.545 2.274 20 0 HEADRO CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169129881 1079150264 /nfs/dbraw/zinc/15/02/64/1079150264.db2.gz LHGANGVGFINBLD-QTDGGUCWSA-N 1 0 411.550 2.276 20 0 HEADRO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000771105297 1079155113 /nfs/dbraw/zinc/15/51/13/1079155113.db2.gz RDMGGCMGKCFMHZ-LJQANCHMSA-N 1 0 404.555 2.224 20 0 HEADRO CCCN(CCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC000804308925 1079156754 /nfs/dbraw/zinc/15/67/54/1079156754.db2.gz NXTRXNLZTXLBHM-UHFFFAOYSA-N 1 0 424.586 2.227 20 0 HEADRO C[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C[NH+]1CCCC1 ZINC000771111869 1079157697 /nfs/dbraw/zinc/15/76/97/1079157697.db2.gz GOTNIXWTAGLKQK-ZUOKHONESA-N 1 0 424.904 2.094 20 0 HEADRO C[C@H]1CN(c2ccc(NC(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)cc2)CCO1 ZINC000771153800 1079165766 /nfs/dbraw/zinc/16/57/66/1079165766.db2.gz PGEYBXHUDUVUFF-SFHVURJKSA-N 1 0 403.571 2.449 20 0 HEADRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)c1 ZINC001169150784 1079167260 /nfs/dbraw/zinc/16/72/60/1079167260.db2.gz WDXXRYLQUIXTTA-YCRNBWNJSA-N 1 0 417.550 2.446 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1cccc(Cl)c1 ZINC001169164577 1079173012 /nfs/dbraw/zinc/17/30/12/1079173012.db2.gz VXZAQODRXKGDTK-HNNXBMFYSA-N 1 0 417.941 2.478 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1ccc2cc(C[NH3+])ccc21 ZINC001169165020 1079173618 /nfs/dbraw/zinc/17/36/18/1079173618.db2.gz YKFWPRWDDGZLPL-HNNXBMFYSA-N 1 0 408.506 2.279 20 0 HEADRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169167238 1079175332 /nfs/dbraw/zinc/17/53/32/1079175332.db2.gz FKYJEGXYNLFYIM-JKSUJKDBSA-N 1 0 413.522 2.352 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001169190733 1079178882 /nfs/dbraw/zinc/17/88/82/1079178882.db2.gz KBSUYSYZVYPAPN-UONOGXRCSA-N 1 0 415.460 2.062 20 0 HEADRO CC(C)[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccncc1 ZINC001169197147 1079182126 /nfs/dbraw/zinc/18/21/26/1079182126.db2.gz TUDOELSWJNEWLW-FUHWJXTLSA-N 1 0 412.538 2.374 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc2ccn(C)c2c1 ZINC001169195248 1079182240 /nfs/dbraw/zinc/18/22/40/1079182240.db2.gz JRAPEZQLJINHEU-MRXNPFEDSA-N 1 0 422.533 2.274 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCc2sccc21 ZINC001169196390 1079182308 /nfs/dbraw/zinc/18/23/08/1079182308.db2.gz NZYUFDUGLLGGDE-DZGCQCFKSA-N 1 0 401.536 2.331 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001169201894 1079183528 /nfs/dbraw/zinc/18/35/28/1079183528.db2.gz MTDYRZXZFTURFA-KGLIPLIRSA-N 1 0 415.460 2.267 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCc2ccccc2CC1 ZINC001169201261 1079183602 /nfs/dbraw/zinc/18/36/02/1079183602.db2.gz IBFVKMBPHOLJJC-KRWDZBQOSA-N 1 0 409.534 2.093 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(c2ccccn2)CC1 ZINC001169201047 1079183647 /nfs/dbraw/zinc/18/36/47/1079183647.db2.gz FPPBZWYUFVGVTB-KRWDZBQOSA-N 1 0 424.549 2.267 20 0 HEADRO COc1ccc2c(c1)C[N@H+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169203142 1079184123 /nfs/dbraw/zinc/18/41/23/1079184123.db2.gz SZXGUXUFWCSXFS-HNNXBMFYSA-N 1 0 411.506 2.017 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001169203122 1079184151 /nfs/dbraw/zinc/18/41/51/1079184151.db2.gz STQIBCXMYAJCBX-ZWKOTPCHSA-N 1 0 424.549 2.267 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(c2ccncc2)CC1 ZINC001169202526 1079184381 /nfs/dbraw/zinc/18/43/81/1079184381.db2.gz QNWPUNVYIXNCDZ-QGZVFWFLSA-N 1 0 424.549 2.267 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001169203168 1079184764 /nfs/dbraw/zinc/18/47/64/1079184764.db2.gz UAUQBVKPWDBOEA-SJLPKXTDSA-N 1 0 410.522 2.225 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCSCc1ccco1 ZINC001169169083 1079184870 /nfs/dbraw/zinc/18/48/70/1079184870.db2.gz OQMXPIJTCJMQKG-HNNXBMFYSA-N 1 0 419.551 2.109 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(Cc2ccccc2)CC1 ZINC001169170524 1079185957 /nfs/dbraw/zinc/18/59/57/1079185957.db2.gz XGCSRQPDKMCUKX-KRWDZBQOSA-N 1 0 409.534 2.357 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCc1ccccc1F ZINC001169172447 1079186561 /nfs/dbraw/zinc/18/65/61/1079186561.db2.gz OYOWNTIPWXLGHM-MRXNPFEDSA-N 1 0 415.513 2.354 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCCc2cccnc21 ZINC001169172483 1079187345 /nfs/dbraw/zinc/18/73/45/1079187345.db2.gz PPZWQTDZAYTCMJ-NVXWUHKLSA-N 1 0 410.522 2.055 20 0 HEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771145519 1079193246 /nfs/dbraw/zinc/19/32/46/1079193246.db2.gz OOLQRIGQBWBTLO-RNODOKPDSA-N 1 0 424.904 2.094 20 0 HEADRO COC1CCC(CC[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169181525 1079193853 /nfs/dbraw/zinc/19/38/53/1079193853.db2.gz QPEPMKBSULDRED-WWDZGPRUSA-N 1 0 419.570 2.177 20 0 HEADRO CC(C)CC1([NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCOCC1 ZINC001169183530 1079194520 /nfs/dbraw/zinc/19/45/20/1079194520.db2.gz KIUXSZJIDKYGPX-QGZVFWFLSA-N 1 0 419.570 2.177 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CC/C=C/c1cccnc1 ZINC001169212117 1079197534 /nfs/dbraw/zinc/19/75/34/1079197534.db2.gz KKFATDZWQWUVNW-QKIXSCASSA-N 1 0 424.549 2.423 20 0 HEADRO CC[NH+]1CCC(NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)CC1 ZINC001169225626 1079202766 /nfs/dbraw/zinc/20/27/66/1079202766.db2.gz WNXNBPZCNRWIJN-SFHVURJKSA-N 1 0 406.502 2.061 20 0 HEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000771167386 1079205262 /nfs/dbraw/zinc/20/52/62/1079205262.db2.gz HJHLPQRWFUPNFW-UHFFFAOYSA-N 1 0 411.506 2.194 20 0 HEADRO CCOC(COc1cc(Cl)nnc1NCc1ncn2c1C[NH2+]CCC2)OCC ZINC001169242092 1079208997 /nfs/dbraw/zinc/20/89/97/1079208997.db2.gz XCNAWFJYBKHMGO-UHFFFAOYSA-N 1 0 410.906 2.210 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)CC1 ZINC000771175348 1079210044 /nfs/dbraw/zinc/21/00/44/1079210044.db2.gz OPHHVLDHZKVKMW-UHFFFAOYSA-N 1 0 405.587 2.079 20 0 HEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000766652490 1079220899 /nfs/dbraw/zinc/22/08/99/1079220899.db2.gz QACZBTJMZKLNPR-IFXJQAMLSA-N 1 0 417.481 2.463 20 0 HEADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CC1 ZINC001169258390 1079213731 /nfs/dbraw/zinc/21/37/31/1079213731.db2.gz KHXYZCNNYNBUOG-UHFFFAOYSA-N 1 0 402.564 2.416 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)c3cc(C)n(-c4nc(C)cc(C)n4)n3)CC[NH2+]2)c1 ZINC001169260218 1079214361 /nfs/dbraw/zinc/21/43/61/1079214361.db2.gz FXEXMUORMXTQPE-LJQANCHMSA-N 1 0 420.517 2.253 20 0 HEADRO COCCNC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO)CCCC2 ZINC001169274059 1079215236 /nfs/dbraw/zinc/21/52/36/1079215236.db2.gz WKNKTLMWQBFDAU-ZBFHGGJFSA-N 1 0 423.579 2.082 20 0 HEADRO CC1(C)CCC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001169284020 1079219235 /nfs/dbraw/zinc/21/92/35/1079219235.db2.gz OENXBMMYLAJYGD-LJQANCHMSA-N 1 0 423.579 2.439 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc(F)n2)C[C@H]1C(=O)N1CCSC1 ZINC001170023527 1079220239 /nfs/dbraw/zinc/22/02/39/1079220239.db2.gz YQPDUTSYQJYYAB-CABCVRRESA-N 1 0 410.515 2.221 20 0 HEADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C[NH+](C)C)cc2)C1=O ZINC000771244016 1079224290 /nfs/dbraw/zinc/22/42/90/1079224290.db2.gz HFVLQMQQBOMTKR-QFIPXVFZSA-N 1 0 410.474 2.163 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2I)CO1 ZINC001169320125 1079226202 /nfs/dbraw/zinc/22/62/02/1079226202.db2.gz ITUOIZDTTALUPA-DFBGVHRSSA-N 1 0 419.259 2.025 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc(SC(F)F)nc3)CC2)c1 ZINC000771216923 1079231496 /nfs/dbraw/zinc/23/14/96/1079231496.db2.gz VMPOQHMQZXTCPB-UHFFFAOYSA-N 1 0 423.445 2.087 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H](n2cc(Br)ccc2=NCCCC[NH3+])CO1 ZINC001169348663 1079233900 /nfs/dbraw/zinc/23/39/00/1079233900.db2.gz NTWMDYYAHZIDNH-HUUCEWRRSA-N 1 0 400.317 2.173 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H](C[C@H]3C2)O4)CO1 ZINC001169385384 1079257396 /nfs/dbraw/zinc/25/73/96/1079257396.db2.gz ISJAHPHGCWNKRG-IUHXOWBESA-N 1 0 424.538 2.197 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)CO1 ZINC001169388799 1079259630 /nfs/dbraw/zinc/25/96/30/1079259630.db2.gz QJJPNQCAKPGCKN-RTBURBONSA-N 1 0 401.507 2.007 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)CO1 ZINC001169393534 1079264972 /nfs/dbraw/zinc/26/49/72/1079264972.db2.gz SSCKHFQNYZOJRF-QSUVIHHLSA-N 1 0 404.507 2.331 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](CO)C[C@@H](O)c3ccccc3)c2)CC1 ZINC000771271842 1079259746 /nfs/dbraw/zinc/25/97/46/1079259746.db2.gz JQIKMBGVHQSBEU-IFMALSPDSA-N 1 0 412.534 2.435 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CO1 ZINC001169390511 1079260902 /nfs/dbraw/zinc/26/09/02/1079260902.db2.gz VTFXLSHJCNVGAO-PSHVLCQKSA-N 1 0 404.507 2.442 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3nc(C(=O)NCC(C)C)sc3CC2)CO1 ZINC001169391940 1079261495 /nfs/dbraw/zinc/26/14/95/1079261495.db2.gz LXRSZNOPABWTJU-ZBFHGGJFSA-N 1 0 409.552 2.040 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392774 1079263406 /nfs/dbraw/zinc/26/34/06/1079263406.db2.gz QRUGOUYMEIXNDV-GSEOLPGOSA-N 1 0 423.579 2.085 20 0 HEADRO O=C(NCCN(Cc1ccccc1)c1ccccn1)NC[C@H]1CCCC[N@H+]1CCO ZINC001687511281 1079270771 /nfs/dbraw/zinc/27/07/71/1079270771.db2.gz REEWSPHJUZQRQZ-OAQYLSRUSA-N 1 0 411.550 2.234 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)CO1 ZINC001169398457 1079271890 /nfs/dbraw/zinc/27/18/90/1079271890.db2.gz RKVVYWSCJVBVNL-DXIQSLLYSA-N 1 0 401.507 2.007 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H](N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)CO1 ZINC001169399294 1079272688 /nfs/dbraw/zinc/27/26/88/1079272688.db2.gz VYIWVNXUDVRYNP-NXNFSMPISA-N 1 0 404.555 2.167 20 0 HEADRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)nc1 ZINC001170024826 1079274209 /nfs/dbraw/zinc/27/42/09/1079274209.db2.gz DAQSMWGEEOHUMK-WBVHZDCISA-N 1 0 422.551 2.091 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccnc(F)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170024822 1079274293 /nfs/dbraw/zinc/27/42/93/1079274293.db2.gz CZMYYFSVQSNMPM-GJZGRUSLSA-N 1 0 410.515 2.221 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)CO1 ZINC001169393808 1079265672 /nfs/dbraw/zinc/26/56/72/1079265672.db2.gz CZKBACAIAFURQP-MOPGFXCFSA-N 1 0 401.507 2.120 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)CO1 ZINC001169393814 1079266263 /nfs/dbraw/zinc/26/62/63/1079266263.db2.gz CZKBACAIAFURQP-RTBURBONSA-N 1 0 401.507 2.120 20 0 HEADRO C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000771307455 1079277180 /nfs/dbraw/zinc/27/71/80/1079277180.db2.gz HIQUEACLWCNOIO-QGZVFWFLSA-N 1 0 417.554 2.420 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](CCOC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001169421298 1079279758 /nfs/dbraw/zinc/27/97/58/1079279758.db2.gz XQTOABJECODVDZ-BZSNNMDCSA-N 1 0 414.543 2.445 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000771328715 1079289217 /nfs/dbraw/zinc/28/92/17/1079289217.db2.gz YXUDACMEXUGHIE-KRWDZBQOSA-N 1 0 411.591 2.005 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000771328717 1079289264 /nfs/dbraw/zinc/28/92/64/1079289264.db2.gz YXUDACMEXUGHIE-QGZVFWFLSA-N 1 0 411.591 2.005 20 0 HEADRO Cc1ccc(CNC(=O)Cc2noc([C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000771365747 1079305520 /nfs/dbraw/zinc/30/55/20/1079305520.db2.gz QNHBOASCCNCSFB-QHCPKHFHSA-N 1 0 406.486 2.330 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](c1cnc(C(F)(F)F)nc1)N1CCOCC1 ZINC001169449592 1079297415 /nfs/dbraw/zinc/29/74/15/1079297415.db2.gz VNQJBGYNYWKJCT-GDBMZVCRSA-N 1 0 417.476 2.105 20 0 HEADRO COc1ccc(S(=O)(=O)N2CCCN(C(=O)CCCC[NH+]3CCCC3)CC2)cc1 ZINC000766709869 1079297983 /nfs/dbraw/zinc/29/79/83/1079297983.db2.gz XNOJLFXHQMMTKS-UHFFFAOYSA-N 1 0 423.579 2.184 20 0 HEADRO CC(C)(C)NC(=O)N1CC[NH+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169451127 1079298016 /nfs/dbraw/zinc/29/80/16/1079298016.db2.gz FJZKMLVFCVAJKW-NRFANRHFSA-N 1 0 412.575 2.264 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000771353642 1079301877 /nfs/dbraw/zinc/30/18/77/1079301877.db2.gz OSNWFVTVGBFUBK-UHFFFAOYSA-N 1 0 411.591 2.149 20 0 HEADRO O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)NCC[NH+]1CCCCC1 ZINC000766724705 1079303812 /nfs/dbraw/zinc/30/38/12/1079303812.db2.gz KOJJRAOGMAPXPS-UHFFFAOYSA-N 1 0 423.457 2.144 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)C[C@@H](O)c2ccc(F)cc2)CC1=O ZINC000766727281 1079305095 /nfs/dbraw/zinc/30/50/95/1079305095.db2.gz ZTBBWQMEAXIEBQ-RARDXLECSA-N 1 0 405.514 2.087 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@H]2C(=O)N(Cc3cccc(C)n3)CCO[C@H]2C1 ZINC001169473098 1079311254 /nfs/dbraw/zinc/31/12/54/1079311254.db2.gz URITZSXURIILCA-NRSPTQNISA-N 1 0 416.566 2.086 20 0 HEADRO C[C@@H]1CN(c2ccc(N[C@H]3C[C@@H](C(=O)OCc4ccccc4)CCCN3)nn2)CC[NH2+]1 ZINC001169511936 1079318256 /nfs/dbraw/zinc/31/82/56/1079318256.db2.gz KQQOEWCNMCGIGN-LMNJBCLMSA-N 1 0 424.549 2.146 20 0 HEADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 ZINC001169515171 1079319457 /nfs/dbraw/zinc/31/94/57/1079319457.db2.gz VAHOSJWEAXKRBI-LJQANCHMSA-N 1 0 402.539 2.454 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 ZINC001169487520 1079319824 /nfs/dbraw/zinc/31/98/24/1079319824.db2.gz SNRGVFILBLLKAB-LZLYRXPVSA-N 1 0 413.559 2.412 20 0 HEADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001169528359 1079324167 /nfs/dbraw/zinc/32/41/67/1079324167.db2.gz VGDLWXHWBBXKPN-OXJNMPFZSA-N 1 0 401.532 2.116 20 0 HEADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COCCNC(=O)c1ccccc1 ZINC001169541052 1079326459 /nfs/dbraw/zinc/32/64/59/1079326459.db2.gz PDRLKMHSGKCSOC-UGKGYDQZSA-N 1 0 409.530 2.460 20 0 HEADRO COCC(=O)Nc1ccc(NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000771451949 1079329425 /nfs/dbraw/zinc/32/94/25/1079329425.db2.gz NJOWPZGUCUBWIR-UHFFFAOYSA-N 1 0 417.554 2.294 20 0 HEADRO CC(=O)N1CCC[C@H](N[C@@H](C[NH3+])C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001169594375 1079337659 /nfs/dbraw/zinc/33/76/59/1079337659.db2.gz NLRCYQBBWINECB-SBUREZEXSA-N 1 0 407.514 2.270 20 0 HEADRO CC(=O)N1CCC[C@@H]([NH+]2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)cnc43)CC2)C1 ZINC001169604720 1079342701 /nfs/dbraw/zinc/34/27/01/1079342701.db2.gz HHGWXVLCNKJYIB-HXUWFJFHSA-N 1 0 421.545 2.397 20 0 HEADRO CC(=O)N1CCC[C@@H](N([C@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)C1 ZINC001169606429 1079343146 /nfs/dbraw/zinc/34/31/46/1079343146.db2.gz SSQCBSNSEXOMRT-QUCCMNQESA-N 1 0 405.564 2.220 20 0 HEADRO COC[C@@H]1CC2(CN1Cc1nccs1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169606311 1079343277 /nfs/dbraw/zinc/34/32/77/1079343277.db2.gz RMRGZDAGEQATBF-MOPGFXCFSA-N 1 0 406.596 2.457 20 0 HEADRO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCC[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000771439607 1079344859 /nfs/dbraw/zinc/34/48/59/1079344859.db2.gz NPWLTMPGCLNTSX-AOMKIAJQSA-N 1 0 417.506 2.188 20 0 HEADRO COC(=O)C1CCN(C(=O)c2cccnc2N2CCCc3ccc(C[NH3+])nc32)CC1 ZINC001169583966 1079346078 /nfs/dbraw/zinc/34/60/78/1079346078.db2.gz IPOJYJALWNRRGJ-UHFFFAOYSA-N 1 0 409.490 2.045 20 0 HEADRO CCOC(=O)CC1([NH2+][C@H]2CCCN(C(C)=O)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001169585450 1079346533 /nfs/dbraw/zinc/34/65/33/1079346533.db2.gz HVSKVPKVVSYCTK-KRWDZBQOSA-N 1 0 411.543 2.310 20 0 HEADRO 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ZINC001169684556 1079366972 /nfs/dbraw/zinc/36/69/72/1079366972.db2.gz FLLKSLQKNSTNHV-ROUUACIJSA-N 1 0 403.527 2.205 20 0 HEADRO CCOC(=O)N1CCC[C@H]([N@@H+]2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)CC1 ZINC001169685256 1079367840 /nfs/dbraw/zinc/36/78/40/1079367840.db2.gz IMDRCGQDKMEQHU-WMZHIEFXSA-N 1 0 414.550 2.421 20 0 HEADRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncccc1S(=O)(=O)N1CCN(C)CC1 ZINC001169685040 1079367928 /nfs/dbraw/zinc/36/79/28/1079367928.db2.gz NOMAOOXBXYWPJD-SFHVURJKSA-N 1 0 415.563 2.258 20 0 HEADRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC001169685837 1079368187 /nfs/dbraw/zinc/36/81/87/1079368187.db2.gz RZTXPWBWSRGYHD-LJQANCHMSA-N 1 0 415.563 2.258 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)C3CCC3)[C@H]3OCCC[C@H]3C2)CC1 ZINC001169688098 1079369671 /nfs/dbraw/zinc/36/96/71/1079369671.db2.gz VLNMDAQOICRFKE-NMLBUPMWSA-N 1 0 407.555 2.393 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@@H+]2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)CC1 ZINC001169690518 1079371021 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/nfs/dbraw/zinc/43/57/94/1079435794.db2.gz UXOOQLXKTUJGQI-VPWFFCTISA-N 1 0 416.584 2.490 20 0 HEADRO CC(C)(C)OC(=O)N1CCC2(C[C@@H]([NH2+]C3CCC(S(C)(=O)=O)CC3)CO2)CC1 ZINC001169853897 1079448639 /nfs/dbraw/zinc/44/86/39/1079448639.db2.gz MCFMHZCZDROTJJ-AQFXKWCLSA-N 1 0 416.584 2.490 20 0 HEADRO CC(C)(C)OC(=O)N1CCC2(C[C@H](C[NH2+]C3CCC(S(C)(=O)=O)CC3)O2)CC1 ZINC001169851459 1079446673 /nfs/dbraw/zinc/44/66/73/1079446673.db2.gz GYCNEJJJHOJQRS-AQFXKWCLSA-N 1 0 416.584 2.490 20 0 HEADRO CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C[NH2+]C3CCC(S(C)(=O)=O)CC3)CC[C@@H]21 ZINC001169851188 1079446841 /nfs/dbraw/zinc/44/68/41/1079446841.db2.gz APDQILNJELIDLX-ZTJXHEDMSA-N 1 0 416.584 2.346 20 0 HEADRO CS(=O)(=O)C1CCC([NH2+][C@@H]2CCc3c(ccc(=O)n3Cc3cccnc3)C2)CC1 ZINC001169851785 1079447327 /nfs/dbraw/zinc/44/73/27/1079447327.db2.gz KBCDXGOAIZCPIV-IOJLRTSASA-N 1 0 415.559 2.094 20 0 HEADRO Cc1ccc(N2CCOC[C@]3(CCC[N@@H+](C4CCC(S(C)(=O)=O)CC4)C3)C2)nn1 ZINC001169879571 1079452934 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/nfs/dbraw/zinc/47/22/03/1079472203.db2.gz NOQULPSFYGILEG-GVDBMIGSSA-N 1 0 412.527 2.450 20 0 HEADRO CCOc1cc([C@H](CS(C)(=O)=O)[NH2+][C@H]2CCCC3(C2)OCCO3)ccc1OC ZINC001169910413 1079473833 /nfs/dbraw/zinc/47/38/33/1079473833.db2.gz UQEQTOOGSKWWNX-IRXDYDNUSA-N 1 0 413.536 2.455 20 0 HEADRO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC001169911871 1079475916 /nfs/dbraw/zinc/47/59/16/1079475916.db2.gz KKQHDEUXWARGEZ-IBGZPJMESA-N 1 0 406.486 2.344 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)CC)cc2Cl)CC1 ZINC000737268974 1075897220 /nfs/dbraw/zinc/89/72/20/1075897220.db2.gz XFNRDLLKYKLNIC-HXUWFJFHSA-N 1 0 410.946 2.088 20 0 HEADRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000065253365 1075909445 /nfs/dbraw/zinc/90/94/45/1075909445.db2.gz XVIVOUBNIFNPRT-MOPGFXCFSA-N 1 0 416.566 2.479 20 0 HEADRO O=C(c1cccnc1S(=O)(=O)C(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737690432 1075919408 /nfs/dbraw/zinc/91/94/08/1075919408.db2.gz CFAFKMUFPHLMJZ-ZDUSSCGKSA-N 1 0 405.442 2.466 20 0 HEADRO CNC(=O)c1cc2c(nc1N(CC1CC1)[C@@H]1CCCC3(C1)OCCO3)CC[NH2+]CC2 ZINC001169948532 1079489615 /nfs/dbraw/zinc/48/96/15/1079489615.db2.gz KDZCBWRDRDNJKE-GOSISDBHSA-N 1 0 414.550 2.032 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1 ZINC000737727220 1075925966 /nfs/dbraw/zinc/92/59/66/1075925966.db2.gz ADATWYJSKFIUOD-QHCPKHFHSA-N 1 0 422.529 2.469 20 0 HEADRO C[NH+](C)CCN1CCN(C(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000737778316 1075928201 /nfs/dbraw/zinc/92/82/01/1075928201.db2.gz JUXXNHBIDVGORK-JOCHJYFZSA-N 1 0 424.545 2.360 20 0 HEADRO Cc1oc(-c2ccccc2F)nc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000737846311 1075931388 /nfs/dbraw/zinc/93/13/88/1075931388.db2.gz IADFPPDZMJODKZ-UHFFFAOYSA-N 1 0 402.470 2.462 20 0 HEADRO C[C@H]1N(Cc2cccnc2)C(=O)COC12CC[NH+]([C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001169950476 1079490757 /nfs/dbraw/zinc/49/07/57/1079490757.db2.gz TXEAAIBRXBXBPP-UYAOXDASSA-N 1 0 415.534 2.349 20 0 HEADRO CN(C(=O)NC1CCC(O)(c2cccnc2)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771779491 1079499898 /nfs/dbraw/zinc/49/98/98/1079499898.db2.gz LJNBODIMTGXEMQ-YUVVGHDESA-N 1 0 415.582 2.022 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)COc2cccc(C=O)c2)CC1 ZINC000737991363 1075948310 /nfs/dbraw/zinc/94/83/10/1075948310.db2.gz XSHUOQJMJSUHLP-UHFFFAOYSA-N 1 0 411.502 2.167 20 0 HEADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cn2nc(N3CCOCC3)n(C)c2=S)C1 ZINC000738104910 1075963246 /nfs/dbraw/zinc/96/32/46/1075963246.db2.gz ARIHHVOSDWXXDN-ZWKOTPCHSA-N 1 0 408.616 2.332 20 0 HEADRO C[NH+](C)[C@H]1CCCN(CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000738144551 1075963251 /nfs/dbraw/zinc/96/32/51/1075963251.db2.gz QBOOPSPGBRYDRS-MEDUHNTESA-N 1 0 415.357 2.261 20 0 HEADRO CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738110865 1075965201 /nfs/dbraw/zinc/96/52/01/1075965201.db2.gz JXJGRZRYPRPWJT-QHCPKHFHSA-N 1 0 414.550 2.236 20 0 HEADRO S=c1n(CCc2ccccn2)cnn1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738112223 1075966660 /nfs/dbraw/zinc/96/66/60/1075966660.db2.gz UZVXZVUPYWUTCI-UHFFFAOYSA-N 1 0 416.595 2.444 20 0 HEADRO Cc1ccc(-c2nn(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)c(=S)o2)cc1 ZINC000738159748 1075970429 /nfs/dbraw/zinc/97/04/29/1075970429.db2.gz BKMWYSPXIWDTLH-UHFFFAOYSA-N 1 0 401.536 2.379 20 0 HEADRO C[N@@H+]1CCC[C@@H](N2CCN(Cn3c4ccc(Br)cc4oc3=O)CC2)C1 ZINC000738214209 1075974507 /nfs/dbraw/zinc/97/45/07/1075974507.db2.gz OVCINDYEAMVRHU-OAHLLOKOSA-N 1 0 409.328 2.026 20 0 HEADRO C[NH+](C)C[C@H]1CCN(CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000738226261 1075976024 /nfs/dbraw/zinc/97/60/24/1075976024.db2.gz GDDUYILMZCMPIW-ACJLOTCBSA-N 1 0 409.328 2.057 20 0 HEADRO CCOC(=O)c1cn(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)nc1C ZINC000738283296 1075978808 /nfs/dbraw/zinc/97/88/08/1075978808.db2.gz DSYNLLAVBJSKRE-UHFFFAOYSA-N 1 0 415.538 2.088 20 0 HEADRO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[NH+]3CCC(N4CN=NC4=O)CC3)C2)CC1 ZINC001169962264 1079496791 /nfs/dbraw/zinc/49/67/91/1079496791.db2.gz 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COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000738526379 1075999834 /nfs/dbraw/zinc/99/98/34/1075999834.db2.gz KIRJSQHRLFMEEC-INIZCTEOSA-N 1 0 419.547 2.082 20 0 HEADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1 ZINC000738554944 1076002734 /nfs/dbraw/zinc/00/27/34/1076002734.db2.gz PWCRFIZWOJFVLT-QGZVFWFLSA-N 1 0 403.552 2.431 20 0 HEADRO CCN(C(=O)NC[C@H]1COC2(CCOCC2)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771778411 1079499101 /nfs/dbraw/zinc/49/91/01/1079499101.db2.gz PQPIYSAELBFSPI-PMACEKPBSA-N 1 0 403.523 2.215 20 0 HEADRO C[C@@H](OC(=O)c1cc(F)cc(N)c1F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000738727454 1076013646 /nfs/dbraw/zinc/01/36/46/1076013646.db2.gz RNXHZEVAYTULGT-CZUORRHYSA-N 1 0 403.429 2.483 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+]([C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C)CC2 ZINC000771779679 1079502468 /nfs/dbraw/zinc/50/24/68/1079502468.db2.gz NQCCJNUFXBIUSI-OAHLLOKOSA-N 1 0 416.478 2.124 20 0 HEADRO CC1CCC2(CC1)OC[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C3CCN(C)CC3)C1)O2 ZINC000771779742 1079502613 /nfs/dbraw/zinc/50/26/13/1079502613.db2.gz XAFROYJEIRMOTJ-YMZLFWGNSA-N 1 0 408.587 2.118 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000738992115 1076029897 /nfs/dbraw/zinc/02/98/97/1076029897.db2.gz YJTYZIVJFLYJIJ-IBGZPJMESA-N 1 0 423.602 2.199 20 0 HEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)C1 ZINC000739006020 1076030430 /nfs/dbraw/zinc/03/04/30/1076030430.db2.gz OTCFVKMLSKVWCP-ROUUACIJSA-N 1 0 412.575 2.480 20 0 HEADRO CN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739065085 1076034655 /nfs/dbraw/zinc/03/46/55/1076034655.db2.gz DWMZNKGBEMPGLR-UHFFFAOYSA-N 1 0 423.561 2.499 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000739084795 1076034898 /nfs/dbraw/zinc/03/48/98/1076034898.db2.gz FEECRVACGQKIKL-QFBILLFUSA-N 1 0 404.555 2.333 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000739066923 1076036271 /nfs/dbraw/zinc/03/62/71/1076036271.db2.gz JLOYIGYPANCYHS-UWJYYQICSA-N 1 0 416.566 2.477 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC[C@H](O)c3ccccc3)cc2)CC1 ZINC000739070721 1076037306 /nfs/dbraw/zinc/03/73/06/1076037306.db2.gz RXHKSIMOGSADDH-QFIPXVFZSA-N 1 0 424.545 2.253 20 0 HEADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)[NH+]1CCCC1 ZINC000739070470 1076037664 /nfs/dbraw/zinc/03/76/64/1076037664.db2.gz LXTVVVCCXTUIAT-YLJYHZDGSA-N 1 0 402.539 2.087 20 0 HEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000739078513 1076038777 /nfs/dbraw/zinc/03/87/77/1076038777.db2.gz CYEYOGITYMKVNO-SQNIBIBYSA-N 1 0 402.539 2.087 20 0 HEADRO CN(C[C@@H]1CCCCO1)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739081869 1076039466 /nfs/dbraw/zinc/03/94/66/1076039466.db2.gz QFALAZHKKWKRMK-NRFANRHFSA-N 1 0 416.566 2.431 20 0 HEADRO Cc1ccc(CCNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cn1 ZINC000739084682 1076041476 /nfs/dbraw/zinc/04/14/76/1076041476.db2.gz GSDOOQRWLRSSCT-UHFFFAOYSA-N 1 0 423.561 2.465 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000739084109 1076041487 /nfs/dbraw/zinc/04/14/87/1076041487.db2.gz YVGYGMSOSKLLNX-NQIIRXRSSA-N 1 0 424.545 2.139 20 0 HEADRO CCc1cc(CNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)[nH]n1 ZINC000739085530 1076041609 /nfs/dbraw/zinc/04/16/09/1076041609.db2.gz HEFINFQFPIDOHJ-UHFFFAOYSA-N 1 0 412.538 2.005 20 0 HEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000739086293 1076042395 /nfs/dbraw/zinc/04/23/95/1076042395.db2.gz LFPSPRWFYVPLQE-IEBWSBKVSA-N 1 0 402.539 2.231 20 0 HEADRO O=C(Nc1cc(N2CCCC2=O)ccc1F)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000739116858 1076045408 /nfs/dbraw/zinc/04/54/08/1076045408.db2.gz CSSSMUARBNNXKI-INIZCTEOSA-N 1 0 416.497 2.368 20 0 HEADRO C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cc2)CCO1 ZINC000739117843 1076045578 /nfs/dbraw/zinc/04/55/78/1076045578.db2.gz FQTSOZCLZZLVFY-ICSRJNTNSA-N 1 0 414.550 2.327 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)cn2)CC1 ZINC000739688350 1076071975 /nfs/dbraw/zinc/07/19/75/1076071975.db2.gz PBAASJBZGVIOGA-MSOLQXFVSA-N 1 0 417.554 2.143 20 0 HEADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000739787578 1076082382 /nfs/dbraw/zinc/08/23/82/1076082382.db2.gz HVSPAKXLRFHIRE-MRXNPFEDSA-N 1 0 411.543 2.413 20 0 HEADRO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000739875949 1076085227 /nfs/dbraw/zinc/08/52/27/1076085227.db2.gz KCKDZXBLQTYTKH-VGOFRKELSA-N 1 0 400.523 2.228 20 0 HEADRO CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@H](C[NH+]4CCCC4)C3)CC2)c(F)c1 ZINC000739926573 1076093774 /nfs/dbraw/zinc/09/37/74/1076093774.db2.gz HQMXECVLWADLBX-LJQANCHMSA-N 1 0 416.541 2.095 20 0 HEADRO COC(=O)C1=C(CN2CC[C@H](C[NH+]3CCCC3)C2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000739926305 1076093813 /nfs/dbraw/zinc/09/38/13/1076093813.db2.gz LNRCGXBORCCTTR-DYESRHJHSA-N 1 0 412.534 2.228 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC000740301334 1076140012 /nfs/dbraw/zinc/14/00/12/1076140012.db2.gz DAUFQOHURIKFJL-KRWDZBQOSA-N 1 0 421.925 2.380 20 0 HEADRO C[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000766247482 1076142847 /nfs/dbraw/zinc/14/28/47/1076142847.db2.gz LEMSTRQTNOCCIL-SWDXFRIISA-N 1 0 407.555 2.486 20 0 HEADRO C[C@@H](OC(=O)c1ccnc(-n2cccn2)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000740346594 1076155758 /nfs/dbraw/zinc/15/57/58/1076155758.db2.gz OACFPLOLUQOMAR-YLJYHZDGSA-N 1 0 419.485 2.203 20 0 HEADRO CC(C)(C)OC(=O)N1CCC([N@H+](CC(=O)N2CCOC[C@H]2C2CC2)C2CC2)CC1 ZINC000766253669 1076157758 /nfs/dbraw/zinc/15/77/58/1076157758.db2.gz WDNNSIFSWGGGED-IBGZPJMESA-N 1 0 407.555 2.488 20 0 HEADRO CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000740496845 1076174744 /nfs/dbraw/zinc/17/47/44/1076174744.db2.gz ZZWUUPMNFZREFE-QJWNTBNXSA-N 1 0 401.507 2.440 20 0 HEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1N1CCSCC1 ZINC000740513724 1076199313 /nfs/dbraw/zinc/19/93/13/1076199313.db2.gz UAMZTHZRHIRBNP-SFHVURJKSA-N 1 0 416.591 2.431 20 0 HEADRO Cc1cccc(C2N=NC(=S)N2CC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c1 ZINC000740713102 1076215183 /nfs/dbraw/zinc/21/51/83/1076215183.db2.gz GWEJXXUGZZUIQS-UHFFFAOYSA-N 1 0 424.530 2.341 20 0 HEADRO CCc1ccc(N2C[C@@H](C(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)CC2=O)cc1 ZINC000740686250 1076224151 /nfs/dbraw/zinc/22/41/51/1076224151.db2.gz QLKDDMHCKYFZJQ-SFHVURJKSA-N 1 0 408.502 2.401 20 0 HEADRO CC[N@@H+]1C[C@H](C)N(CC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)C[C@H]1C ZINC000766255936 1076225846 /nfs/dbraw/zinc/22/58/46/1076225846.db2.gz ZOKOOPHQBOWDRI-GUXCAODWSA-N 1 0 400.523 2.224 20 0 HEADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CC1 ZINC000740756257 1076227173 /nfs/dbraw/zinc/22/71/73/1076227173.db2.gz FTEMELYWVYWLHD-UHFFFAOYSA-N 1 0 420.535 2.193 20 0 HEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000740757670 1076228506 /nfs/dbraw/zinc/22/85/06/1076228506.db2.gz SPZVTQNULHSUBG-HOTGVXAUSA-N 1 0 420.529 2.368 20 0 HEADRO CC(=O)c1ccc(N2CCN(C(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)CC2)c(F)c1 ZINC000740748875 1076233367 /nfs/dbraw/zinc/23/33/67/1076233367.db2.gz BPRWWJZKJSVGNG-OAQYLSRUSA-N 1 0 405.514 2.470 20 0 HEADRO C[NH+](C)C1(CC(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CCCC1 ZINC001066341149 1076241512 /nfs/dbraw/zinc/24/15/12/1076241512.db2.gz MQZBLRLSJUCWKH-SIFVSHMBSA-N 1 0 403.567 2.172 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(S(N)(=O)=O)ccc2Br)C[C@@H]1C ZINC000740838605 1076263720 /nfs/dbraw/zinc/26/37/20/1076263720.db2.gz BUUOTFUWRHMYDA-RYUDHWBXSA-N 1 0 418.357 2.041 20 0 HEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cn1nc(N2CCOCC2)n(C)c1=S ZINC000740864734 1076274400 /nfs/dbraw/zinc/27/44/00/1076274400.db2.gz JPXXLHXIDWAJKI-GOSISDBHSA-N 1 0 416.595 2.342 20 0 HEADRO CCOC(=O)c1nnc2ccccc2c1NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000740865703 1076274918 /nfs/dbraw/zinc/27/49/18/1076274918.db2.gz LNJKGUCPPIFONN-UHFFFAOYSA-N 1 0 400.479 2.494 20 0 HEADRO O=C1CCCCN1[C@@H]1CCCN(CCC[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)C1 ZINC000740877173 1076278260 /nfs/dbraw/zinc/27/82/60/1076278260.db2.gz DZWLYYIEFRUXKD-NHCUHLMSSA-N 1 0 404.599 2.330 20 0 HEADRO CCC[N@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740881367 1076280663 /nfs/dbraw/zinc/28/06/63/1076280663.db2.gz AOXNTNFDNBBTBR-NRBJIUACSA-N 1 0 420.554 2.044 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C[C@@H]1C ZINC000740884296 1076283670 /nfs/dbraw/zinc/28/36/70/1076283670.db2.gz UBLDZJAJEOTUDO-FXAWDEMLSA-N 1 0 418.557 2.482 20 0 HEADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000740892162 1076292874 /nfs/dbraw/zinc/29/28/74/1076292874.db2.gz VHZAXEOZIKJXQQ-UHFFFAOYSA-N 1 0 419.503 2.062 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](CCO)c1ccccc1 ZINC000740899168 1076296437 /nfs/dbraw/zinc/29/64/37/1076296437.db2.gz VEWJYDJGMJERRD-IRXDYDNUSA-N 1 0 411.955 2.460 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@](C)(O)c1ccsc1 ZINC000740899914 1076296673 /nfs/dbraw/zinc/29/66/73/1076296673.db2.gz VWJYMQDICWKQBV-BBRMVZONSA-N 1 0 403.957 2.263 20 0 HEADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000740906815 1076298967 /nfs/dbraw/zinc/29/89/67/1076298967.db2.gz GJCAIWASRRYLFK-SFHVURJKSA-N 1 0 405.506 2.468 20 0 HEADRO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740916885 1076304748 /nfs/dbraw/zinc/30/47/48/1076304748.db2.gz DRFCNMLKHDRIPY-ZIFCJYIRSA-N 1 0 423.602 2.100 20 0 HEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C3CCSCC3)CC2)cc1 ZINC000740961412 1076313699 /nfs/dbraw/zinc/31/36/99/1076313699.db2.gz SLHUAXMUUVQXMF-UHFFFAOYSA-N 1 0 406.548 2.416 20 0 HEADRO CC(C)CCn1cc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000740990247 1076320645 /nfs/dbraw/zinc/32/06/45/1076320645.db2.gz SXPDCNLGKLYJRQ-PKOBYXMFSA-N 1 0 413.522 2.260 20 0 HEADRO CCOC(=O)C1=C(COC(=O)[C@@H](C)[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccco1 ZINC000741031264 1076331368 /nfs/dbraw/zinc/33/13/68/1076331368.db2.gz OBLZFUJHNPLXFV-KDOFPFPSSA-N 1 0 419.478 2.258 20 0 HEADRO CC[C@H](C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[NH+](CC)CC ZINC000741033468 1076331709 /nfs/dbraw/zinc/33/17/09/1076331709.db2.gz UYZSJDPZAYAPNH-OAHLLOKOSA-N 1 0 404.916 2.346 20 0 HEADRO C[N@H+](CCCO)C1CCN(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741086649 1076349750 /nfs/dbraw/zinc/34/97/50/1076349750.db2.gz JQBRTPWNBRGIJF-KRWDZBQOSA-N 1 0 412.575 2.122 20 0 HEADRO 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 1076355299 /nfs/dbraw/zinc/35/52/99/1076355299.db2.gz SEZVZDACVAJKDS-KZNAEPCWSA-N 1 0 412.575 2.288 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1F)C1CCCCC1 ZINC000741101255 1076372898 /nfs/dbraw/zinc/37/28/98/1076372898.db2.gz KWSCUBYTUJNPPQ-UHFFFAOYSA-N 1 0 420.529 2.106 20 0 HEADRO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000741117745 1076377952 /nfs/dbraw/zinc/37/79/52/1076377952.db2.gz CGOCPNDYNDTSTF-GHTZIAJQSA-N 1 0 401.507 2.115 20 0 HEADRO COc1ccc(-n2cnnc2SCC(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000741118979 1076378737 /nfs/dbraw/zinc/37/87/37/1076378737.db2.gz WOZMOSPZVAWAFY-GOSISDBHSA-N 1 0 420.535 2.268 20 0 HEADRO COCCn1cc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(OC)cc2)ccc1=O ZINC000741120333 1076379477 /nfs/dbraw/zinc/37/94/77/1076379477.db2.gz DZYMQHUYUYEPRZ-GHTZIAJQSA-N 1 0 400.475 2.353 20 0 HEADRO COc1ccc([C@@H]2[C@H](COC(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)CC[N@@H+]2C)cc1 ZINC000741120154 1076379510 /nfs/dbraw/zinc/37/95/10/1076379510.db2.gz AZWATQDWUHFARP-HNAYVOBHSA-N 1 0 421.519 2.123 20 0 HEADRO CCC1(CC)NC(=O)N(CC(=O)OC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(OC)cc2)C1=O ZINC000741125358 1076381161 /nfs/dbraw/zinc/38/11/61/1076381161.db2.gz VRDHRVRYZOZIBR-VQIMIIECSA-N 1 0 417.506 2.342 20 0 HEADRO C[C@H]1CCCCN1C(=O)CN1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741156893 1076389131 /nfs/dbraw/zinc/38/91/31/1076389131.db2.gz KCHYNAVHPAOVNA-RBUKOAKNSA-N 1 0 408.587 2.262 20 0 HEADRO CC(C)CNC(=O)N1CCC[C@H](CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000741219313 1076409455 /nfs/dbraw/zinc/40/94/55/1076409455.db2.gz KSWBBUCYCSMTMJ-UYAOXDASSA-N 1 0 408.587 2.214 20 0 HEADRO Cn1cc(C(=O)C(C(=S)NCC(C)(C)C[NH+](C)C)[n+]2cccc([O-])c2Cl)cn1 ZINC000741237541 1076430706 /nfs/dbraw/zinc/43/07/06/1076430706.db2.gz DHFOSHSFEAYDQD-UHFFFAOYSA-O 1 0 424.978 2.455 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC000741267764 1076437346 /nfs/dbraw/zinc/43/73/46/1076437346.db2.gz ALOSEAFYZUGMGE-VQTJNVASSA-N 1 0 403.523 2.433 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)CCO1 ZINC000741268137 1076437918 /nfs/dbraw/zinc/43/79/18/1076437918.db2.gz DNKCYENEBGBHGF-MOPGFXCFSA-N 1 0 407.511 2.052 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@H](O)c3c(F)cccc3Cl)ccn2)CC1 ZINC000741271265 1076439161 /nfs/dbraw/zinc/43/91/61/1076439161.db2.gz WYCMWEICPWQLSC-KRWDZBQOSA-N 1 0 421.904 2.159 20 0 HEADRO Cc1ccc([C@@H](O)CNC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)o1 ZINC000741272394 1076439628 /nfs/dbraw/zinc/43/96/28/1076439628.db2.gz ZCSRRHHLDIPVNH-PMACEKPBSA-N 1 0 400.523 2.299 20 0 HEADRO CN1CCC([NH+]2CCC(NC(=O)NC[C@H](O)c3c(F)cccc3Cl)CC2)CC1 ZINC000741276105 1076440955 /nfs/dbraw/zinc/44/09/55/1076440955.db2.gz PYIUTIOEGMGLPR-SFHVURJKSA-N 1 0 412.937 2.370 20 0 HEADRO COc1cc(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)cc(OC)c1OCC(N)=O ZINC000741255488 1076445675 /nfs/dbraw/zinc/44/56/75/1076445675.db2.gz ZEXMAKGUYAEWGV-AWEZNQCLSA-N 1 0 412.845 2.184 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CCO1 ZINC000741281347 1076453621 /nfs/dbraw/zinc/45/36/21/1076453621.db2.gz ZYHUPNRETQNSPT-FQEVSTJZSA-N 1 0 403.523 2.392 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C(=O)C1 ZINC000741282418 1076454001 /nfs/dbraw/zinc/45/40/01/1076454001.db2.gz QKLDVEIIROGHMP-UHFFFAOYSA-N 1 0 416.522 2.300 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)CCO1 ZINC000741282636 1076454130 /nfs/dbraw/zinc/45/41/30/1076454130.db2.gz NHMGBSSDTSIJIH-AZUAARDMSA-N 1 0 419.522 2.196 20 0 HEADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000741288952 1076457783 /nfs/dbraw/zinc/45/77/83/1076457783.db2.gz JKJDLTPLTUHSPV-ADXZGYQBSA-N 1 0 421.607 2.076 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000741288954 1076457890 /nfs/dbraw/zinc/45/78/90/1076457890.db2.gz JKJDLTPLTUHSPV-SONOPUAISA-N 1 0 421.607 2.076 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000741338810 1076471544 /nfs/dbraw/zinc/47/15/44/1076471544.db2.gz SPRARPATMFTVGC-APWZRJJASA-N 1 0 403.523 2.188 20 0 HEADRO CC(C)[C@@H](OC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(=O)N1CCOCC1 ZINC000741326367 1076477453 /nfs/dbraw/zinc/47/74/53/1076477453.db2.gz DFOBYCXISVEFQX-UYAOXDASSA-N 1 0 406.498 2.464 20 0 HEADRO Nc1ncnc2c1ncn2CCCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741331135 1076478705 /nfs/dbraw/zinc/47/87/05/1076478705.db2.gz SVELJSVGKJVFBR-MRXNPFEDSA-N 1 0 412.469 2.393 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)cc2)CC1 ZINC000741343890 1076487273 /nfs/dbraw/zinc/48/72/73/1076487273.db2.gz YMBFFJYRFFOVCI-UHFFFAOYSA-N 1 0 416.522 2.144 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)CC1 ZINC000741343432 1076487679 /nfs/dbraw/zinc/48/76/79/1076487679.db2.gz VJOWRTKZMRXVJT-UHFFFAOYSA-N 1 0 423.473 2.206 20 0 HEADRO CC(C)[C@H](CNC(=O)NC[C@H](O)c1c(F)cccc1Cl)[NH+]1CCN(C)CC1 ZINC000741412850 1076514266 /nfs/dbraw/zinc/51/42/66/1076514266.db2.gz VDSCNKJCGDEZQQ-IRXDYDNUSA-N 1 0 400.926 2.084 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000741431438 1076524608 /nfs/dbraw/zinc/52/46/08/1076524608.db2.gz FUHXUGCYYWKJQD-IBGZPJMESA-N 1 0 424.586 2.434 20 0 HEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC000741432359 1076525488 /nfs/dbraw/zinc/52/54/88/1076525488.db2.gz SCXQYEVQXFTPHB-INIZCTEOSA-N 1 0 423.872 2.338 20 0 HEADRO COc1cc(CCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)ccc1C ZINC000741433897 1076525720 /nfs/dbraw/zinc/52/57/20/1076525720.db2.gz YDHCAFAKIBTHDR-UHFFFAOYSA-N 1 0 410.518 2.053 20 0 HEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC[S@@](=O)Cc2ccccc2)CC1 ZINC000741420292 1076533343 /nfs/dbraw/zinc/53/33/43/1076533343.db2.gz NJTUENWFWYXDSY-WAPJKPAKSA-N 1 0 420.623 2.135 20 0 HEADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=S)N[C@H]2CCOc3ccccc32)c1 ZINC000741483017 1076540226 /nfs/dbraw/zinc/54/02/26/1076540226.db2.gz HVICBLHGEHQNPN-IBGZPJMESA-N 1 0 412.559 2.466 20 0 HEADRO CC(C)c1nn(C)c(Cl)c1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000741553957 1076546121 /nfs/dbraw/zinc/54/61/21/1076546121.db2.gz NISSCVUQAVAULM-UHFFFAOYSA-N 1 0 405.930 2.418 20 0 HEADRO 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 1076546434 /nfs/dbraw/zinc/54/64/34/1076546434.db2.gz FPTGCLMKESDHEV-WBVHZDCISA-N 1 0 420.558 2.405 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)[C@@H](C)C1 ZINC000741591679 1076548505 /nfs/dbraw/zinc/54/85/05/1076548505.db2.gz URXAMNLJWKJSJX-OXJNMPFZSA-N 1 0 415.538 2.403 20 0 HEADRO 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 1076551922 /nfs/dbraw/zinc/55/19/22/1076551922.db2.gz BKFNOGODFWLKBZ-CRAIPNDOSA-N 1 0 420.558 2.262 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000741583464 1076553911 /nfs/dbraw/zinc/55/39/11/1076553911.db2.gz FLOHVEAFTKRIGL-AAORUROXSA-N 1 0 422.529 2.405 20 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ZINC000741681871 1076584517 /nfs/dbraw/zinc/58/45/17/1076584517.db2.gz HWUKUKKAYOZSCE-UHFFFAOYSA-N 1 0 404.486 2.071 20 0 HEADRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000741720824 1076593671 /nfs/dbraw/zinc/59/36/71/1076593671.db2.gz CDYFYFBGYMQTTD-ZBFHGGJFSA-N 1 0 420.558 2.371 20 0 HEADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000741711357 1076601127 /nfs/dbraw/zinc/60/11/27/1076601127.db2.gz KQDNTAKXVFHKIS-SUMWQHHRSA-N 1 0 411.524 2.348 20 0 HEADRO CCOC(=O)C1C(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000741790958 1076629377 /nfs/dbraw/zinc/62/93/77/1076629377.db2.gz ONDXYORRUNBBGJ-WRWLIDTKSA-N 1 0 400.523 2.272 20 0 HEADRO CCCCOC(=O)c1ccc(NC(=O)CN2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000741808565 1076633821 /nfs/dbraw/zinc/63/38/21/1076633821.db2.gz MLRDZZRIOYRHEH-GOSISDBHSA-N 1 0 403.523 2.236 20 0 HEADRO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)NC(=O)N[C@@H]1C ZINC000741797918 1076640424 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CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3csc(C(=O)OC)c3)cc2)CC1 ZINC000743046987 1076937045 /nfs/dbraw/zinc/93/70/45/1076937045.db2.gz CTYNXAGPJZUTBQ-UHFFFAOYSA-N 1 0 409.533 2.477 20 0 HEADRO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743049051 1076938735 /nfs/dbraw/zinc/93/87/35/1076938735.db2.gz LMZUODOTWUSYEH-KRWDZBQOSA-N 1 0 420.535 2.037 20 0 HEADRO CCCC[N@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000743164666 1076982931 /nfs/dbraw/zinc/98/29/31/1076982931.db2.gz XRWJHVBSGGZQOB-UHFFFAOYSA-N 1 0 410.462 2.381 20 0 HEADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000743204883 1076995293 /nfs/dbraw/zinc/99/52/93/1076995293.db2.gz ZZUBRIIRELFCQX-CQSZACIVSA-N 1 0 401.389 2.198 20 0 HEADRO CS(=O)(=O)CCn1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000743208012 1076999810 /nfs/dbraw/zinc/99/98/10/1076999810.db2.gz ASORHRCIHIHIMI-QGZVFWFLSA-N 1 0 411.572 2.048 20 0 HEADRO CC(=O)N1CCC[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 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IPVQJDIWNGYRHO-UHFFFAOYSA-N 1 0 421.538 2.152 20 0 HEADRO O=C(COc1ccc2ccc(=O)oc2c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000744759778 1077571367 /nfs/dbraw/zinc/57/13/67/1077571367.db2.gz NNUTVEIFDPUVNA-UHFFFAOYSA-N 1 0 400.475 2.275 20 0 HEADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)cc2)C1 ZINC000744743472 1077575461 /nfs/dbraw/zinc/57/54/61/1077575461.db2.gz VHSXHJQZJAHYHH-MAUKXSAKSA-N 1 0 412.577 2.266 20 0 HEADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CCc3nc4c(cnn4C)c(=O)[nH]3)cc2)C1 ZINC000744743069 1077575814 /nfs/dbraw/zinc/57/58/14/1077575814.db2.gz SCBJMMKKRHREJQ-OAHLLOKOSA-N 1 0 424.505 2.361 20 0 HEADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CCc3nc4c(cnn4C)c(=O)[nH]3)cc2)C1 ZINC000744743066 1077575921 /nfs/dbraw/zinc/57/59/21/1077575921.db2.gz SCBJMMKKRHREJQ-HNNXBMFYSA-N 1 0 424.505 2.361 20 0 HEADRO Cc1[nH]nc2ncc(C(=O)OCC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc12 ZINC000744783203 1077582460 /nfs/dbraw/zinc/58/24/60/1077582460.db2.gz DMBPRCKPIIMDON-UHFFFAOYSA-N 1 0 407.474 2.335 20 0 HEADRO CCN1CCN(C(=O)c2ccc(NC(=O)NC[C@@H](C)[NH+]3CCCCC3)cc2)CC1 ZINC000744796179 1077596467 /nfs/dbraw/zinc/59/64/67/1077596467.db2.gz GHYFQCDYEIMIOK-GOSISDBHSA-N 1 0 401.555 2.460 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1Cl ZINC000744799993 1077598200 /nfs/dbraw/zinc/59/82/00/1077598200.db2.gz COZVFJKXJZXPNL-AWEZNQCLSA-N 1 0 401.960 2.442 20 0 HEADRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000744877905 1077649125 /nfs/dbraw/zinc/64/91/25/1077649125.db2.gz KTLUUSTXIUDKHI-HXUWFJFHSA-N 1 0 406.571 2.064 20 0 HEADRO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000744921253 1077667979 /nfs/dbraw/zinc/66/79/79/1077667979.db2.gz UEMGAJYYFSVWCG-UHFFFAOYSA-N 1 0 404.486 2.024 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(CSc3nc[nH]n3)cc2)CC1 ZINC000745001463 1077702543 /nfs/dbraw/zinc/70/25/43/1077702543.db2.gz NBOMJUNVPXBAFY-UHFFFAOYSA-N 1 0 417.535 2.243 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H](O)c2ccc(Br)cc2)CC1 ZINC000745043357 1077716549 /nfs/dbraw/zinc/71/65/49/1077716549.db2.gz ADGZLBLBSQCCKU-QGZVFWFLSA-N 1 0 413.312 2.015 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H](c2ccccc2)N2CCSCC2)CC1 ZINC000745088632 1077725253 /nfs/dbraw/zinc/72/52/53/1077725253.db2.gz HJRKLYJDFQFNOA-OAQYLSRUSA-N 1 0 419.591 2.309 20 0 HEADRO CC[C@@H](C(=O)O[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+](CC)CC ZINC000745096022 1077729392 /nfs/dbraw/zinc/72/93/92/1077729392.db2.gz TVJAYXSDRKQHJP-HIFRSBDPSA-N 1 0 407.467 2.158 20 0 HEADRO CC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[NH+](CC)CC ZINC000745095990 1077729592 /nfs/dbraw/zinc/72/95/92/1077729592.db2.gz SNFAWFBCWNISQG-WMZOPIPTSA-N 1 0 416.522 2.475 20 0 HEADRO COCCOC(=O)c1sc2[nH]c(C[NH2+][C@H]3C[C@@](C)(OC)C3(C)C)nc(=O)c2c1C ZINC000745222018 1077781297 /nfs/dbraw/zinc/78/12/97/1077781297.db2.gz SCLWAKBLOXLFIK-FKIZINRSSA-N 1 0 423.535 2.389 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1 ZINC000766328433 1077812148 /nfs/dbraw/zinc/81/21/48/1077812148.db2.gz DQYDFMIMUFBIMQ-ZWKOTPCHSA-N 1 0 417.554 2.319 20 0 HEADRO CNC(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000745370309 1077813321 /nfs/dbraw/zinc/81/33/21/1077813321.db2.gz PTARKYIUZDLKTI-KRWDZBQOSA-N 1 0 423.513 2.372 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1cn(-c3ccc(F)c(Cl)c3)nn1)CC2 ZINC000771785041 1079505516 /nfs/dbraw/zinc/50/55/16/1079505516.db2.gz MUEDVXLJWPBFCQ-UHFFFAOYSA-N 1 0 407.833 2.344 20 0 HEADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000771792341 1079509376 /nfs/dbraw/zinc/50/93/76/1079509376.db2.gz VHZLRBJJQNPHIG-CQSZACIVSA-N 1 0 416.551 2.373 20 0 HEADRO C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000804343850 1079511533 /nfs/dbraw/zinc/51/15/33/1079511533.db2.gz BPAHXDWTWJPDSF-IBGZPJMESA-N 1 0 418.582 2.423 20 0 HEADRO Cc1n[nH]c(C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000804343853 1079511574 /nfs/dbraw/zinc/51/15/74/1079511574.db2.gz BSJLDLGLAWRIMS-UHFFFAOYSA-N 1 0 420.355 2.370 20 0 HEADRO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1F ZINC000766960957 1079525538 /nfs/dbraw/zinc/52/55/38/1079525538.db2.gz NDBWFPHULVPICC-IEBWSBKVSA-N 1 0 404.486 2.114 20 0 HEADRO CN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771773120 1079526310 /nfs/dbraw/zinc/52/63/10/1079526310.db2.gz XAHSXPPMKABXNF-MOPGFXCFSA-N 1 0 423.602 2.100 20 0 HEADRO C=CC(=O)NCc1ccc(C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000804345096 1079535037 /nfs/dbraw/zinc/53/50/37/1079535037.db2.gz JEKSVVLOMNFZPF-UHFFFAOYSA-N 1 0 420.557 2.379 20 0 HEADRO Cc1cc(NC(=S)NCC(=O)NC(C)C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000771846381 1079535071 /nfs/dbraw/zinc/53/50/71/1079535071.db2.gz CVLDFQBXLYVEJK-GOSISDBHSA-N 1 0 414.579 2.450 20 0 HEADRO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766947560 1079539717 /nfs/dbraw/zinc/53/97/17/1079539717.db2.gz WLFAXFUPOXETSE-PTSWNOGYSA-N 1 0 406.477 2.334 20 0 HEADRO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766946871 1079539819 /nfs/dbraw/zinc/53/98/19/1079539819.db2.gz PKTSKYRWGHUMNC-ZWKOTPCHSA-N 1 0 406.914 2.286 20 0 HEADRO C[C@@H]1CC[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C[C@@H]1C ZINC000766989160 1079550519 /nfs/dbraw/zinc/55/05/19/1079550519.db2.gz ROWGKTPPUCNJJZ-BIJYSIMDSA-N 1 0 402.520 2.212 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccccc3S(=O)(=O)C(F)F)CC[C@@H]21 ZINC000766991172 1079553656 /nfs/dbraw/zinc/55/36/56/1079553656.db2.gz XMIRXZCNLJWYEO-ZFWWWQNUSA-N 1 0 401.479 2.038 20 0 HEADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C[C@H]1C ZINC000766991288 1079553991 /nfs/dbraw/zinc/55/39/91/1079553991.db2.gz NRZKPYKVGFKJQB-WYIUCGTISA-N 1 0 405.564 2.109 20 0 HEADRO C[NH+](C)C1(CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CCCCCC1 ZINC000771912327 1079586964 /nfs/dbraw/zinc/58/69/64/1079586964.db2.gz ZQYPCCRWALEOBS-UHFFFAOYSA-N 1 0 417.554 2.388 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2cccc([C@@H]3CCCOC3)c2)C1 ZINC000767017596 1079590301 /nfs/dbraw/zinc/59/03/01/1079590301.db2.gz KHKZSQLVSISMNF-NHCUHLMSSA-N 1 0 418.534 2.210 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cccc([C@H]3CCCOC3)c2)C1 ZINC000767017599 1079590389 /nfs/dbraw/zinc/59/03/89/1079590389.db2.gz KHKZSQLVSISMNF-SFTDATJTSA-N 1 0 418.534 2.210 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000767018640 1079591139 /nfs/dbraw/zinc/59/11/39/1079591139.db2.gz OAZOTQXMHRFVPI-NRFANRHFSA-N 1 0 404.530 2.296 20 0 HEADRO O=C(CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000767019608 1079592147 /nfs/dbraw/zinc/59/21/47/1079592147.db2.gz HRNMXQKANBFLEC-IBGZPJMESA-N 1 0 415.456 2.487 20 0 HEADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000771959604 1079605052 /nfs/dbraw/zinc/60/50/52/1079605052.db2.gz IQKGCUJHGJUJQQ-VQTJNVASSA-N 1 0 423.579 2.391 20 0 HEADRO C[C@@H]1CCC[C@](CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)([NH+](C)C)C1 ZINC000772016770 1079652445 /nfs/dbraw/zinc/65/24/45/1079652445.db2.gz CUAOLMWDSLPPJK-ZHRRBRCNSA-N 1 0 417.554 2.244 20 0 HEADRO CCC[C@H]1CN(C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC[N@@H+]1CCOC ZINC000767122820 1079689002 /nfs/dbraw/zinc/68/90/02/1079689002.db2.gz JGVVXJHCFJIXFU-FQQSSWHASA-N 1 0 415.538 2.278 20 0 HEADRO CCC[C@@H]1CN(C(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC[N@@H+]1CCOC ZINC000767123294 1079690071 /nfs/dbraw/zinc/69/00/71/1079690071.db2.gz NZHISOKRGGNZBJ-YFQSIASUSA-N 1 0 416.501 2.078 20 0 HEADRO CCC[C@H]1CN(C(=O)COc2ccc3c(C)cc(=O)oc3c2)CC[N@@H+]1CCOC ZINC000767123119 1079691077 /nfs/dbraw/zinc/69/10/77/1079691077.db2.gz LOGMLYMMLIWMTN-KRWDZBQOSA-N 1 0 402.491 2.440 20 0 HEADRO CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000772083048 1079693567 /nfs/dbraw/zinc/69/35/67/1079693567.db2.gz IQFCWKMBGICLTE-UHFFFAOYSA-N 1 0 413.522 2.159 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000767163601 1079700746 /nfs/dbraw/zinc/70/07/46/1079700746.db2.gz JTXVVRNATNHFOI-KURKYZTESA-N 1 0 414.616 2.424 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000767165073 1079702401 /nfs/dbraw/zinc/70/24/01/1079702401.db2.gz SYGDRSJDIVSUFE-MJGOQNOKSA-N 1 0 422.595 2.434 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000767167345 1079703633 /nfs/dbraw/zinc/70/36/33/1079703633.db2.gz FVMSRBKMEGEUKJ-DLBZAZTESA-N 1 0 402.605 2.328 20 0 HEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC000772071987 1079709178 /nfs/dbraw/zinc/70/91/78/1079709178.db2.gz VFKHEKWXPZPOKS-SJORKVTESA-N 1 0 415.600 2.298 20 0 HEADRO O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)c1cc2ccccc2oc1=O ZINC000767146924 1079713661 /nfs/dbraw/zinc/71/36/61/1079713661.db2.gz AMXOPAFRPNVRIG-OALUTQOASA-N 1 0 417.465 2.122 20 0 HEADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000767155730 1079718981 /nfs/dbraw/zinc/71/89/81/1079718981.db2.gz NVUIGHBRWLVIOO-LSDHHAIUSA-N 1 0 408.333 2.415 20 0 HEADRO NC(=O)NC(=O)OCCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000772199859 1079758582 /nfs/dbraw/zinc/75/85/82/1079758582.db2.gz GWNPYBMFEBZNSR-UHFFFAOYSA-N 1 0 400.273 2.239 20 0 HEADRO O=C(Cn1nc(Cl)sc1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000772248036 1079785499 /nfs/dbraw/zinc/78/54/99/1079785499.db2.gz YAFGGWBXRDTZIK-UHFFFAOYSA-N 1 0 402.907 2.456 20 0 HEADRO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767301385 1079800881 /nfs/dbraw/zinc/80/08/81/1079800881.db2.gz AGEUMYBRTGPTLK-DLBZAZTESA-N 1 0 403.527 2.329 20 0 HEADRO COC(=O)c1n[nH]c2ccc(NC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)cc21 ZINC000772305161 1079802341 /nfs/dbraw/zinc/80/23/41/1079802341.db2.gz VBUVRXIEFWEELH-ZWKOTPCHSA-N 1 0 415.494 2.239 20 0 HEADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000767346399 1079824466 /nfs/dbraw/zinc/82/44/66/1079824466.db2.gz KEGTTXFZYGTFPY-PCCBWWKXSA-N 1 0 417.550 2.385 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000767350352 1079825751 /nfs/dbraw/zinc/82/57/51/1079825751.db2.gz HNEYSOSVAQVCBD-KRWDZBQOSA-N 1 0 416.584 2.038 20 0 HEADRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1C[C@@H](O)c1ccc(F)cc1F ZINC000767358338 1079828299 /nfs/dbraw/zinc/82/82/99/1079828299.db2.gz CGQYDWQVPZSIQS-NQIIRXRSSA-N 1 0 401.413 2.195 20 0 HEADRO O=S1(=O)CCC(O)(C[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)CC1 ZINC000767363886 1079829735 /nfs/dbraw/zinc/82/97/35/1079829735.db2.gz KXQSDZWRYRTTJJ-INIZCTEOSA-N 1 0 402.354 2.396 20 0 HEADRO C[N@@H+]1CCC[C@@H]1CCN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000767362611 1079829800 /nfs/dbraw/zinc/82/98/00/1079829800.db2.gz MRLKMVUTTAMFSZ-OAHLLOKOSA-N 1 0 405.486 2.496 20 0 HEADRO CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CCO1 ZINC000772344225 1079833968 /nfs/dbraw/zinc/83/39/68/1079833968.db2.gz JTLZBRBZNHOOQS-ICSRJNTNSA-N 1 0 402.539 2.087 20 0 HEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)CCCO)cc2F)CC1 ZINC000772372611 1079851745 /nfs/dbraw/zinc/85/17/45/1079851745.db2.gz CGRAJLZYZBFHRC-UHFFFAOYSA-N 1 0 422.545 2.210 20 0 HEADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000772376172 1079852825 /nfs/dbraw/zinc/85/28/25/1079852825.db2.gz HGTFRNMKXFMQGL-KURKYZTESA-N 1 0 423.602 2.242 20 0 HEADRO C[NH+]1CCC(NC(=S)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000767418384 1079855404 /nfs/dbraw/zinc/85/54/04/1079855404.db2.gz DTQMGDJFCWJBLE-HNNXBMFYSA-N 1 0 414.497 2.365 20 0 HEADRO C[NH+]1CCC(NC(=S)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000767418386 1079855466 /nfs/dbraw/zinc/85/54/66/1079855466.db2.gz DTQMGDJFCWJBLE-OAHLLOKOSA-N 1 0 414.497 2.365 20 0 HEADRO C[NH+](C)CCCNC(=S)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000767422903 1079856594 /nfs/dbraw/zinc/85/65/94/1079856594.db2.gz WNXJEBZJGDYVIX-AWEZNQCLSA-N 1 0 402.486 2.222 20 0 HEADRO CN(C)c1cc(COC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)ccn1 ZINC000767475794 1079894336 /nfs/dbraw/zinc/89/43/36/1079894336.db2.gz ITBYASBORMVGIV-QFIPXVFZSA-N 1 0 408.458 2.190 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000772524149 1079912035 /nfs/dbraw/zinc/91/20/35/1079912035.db2.gz JKWURDAVAVIONN-MRXNPFEDSA-N 1 0 411.572 2.244 20 0 HEADRO C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000772534323 1079918222 /nfs/dbraw/zinc/91/82/22/1079918222.db2.gz JKELMJFJMGOIIJ-IRXDYDNUSA-N 1 0 411.591 2.052 20 0 HEADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000772587063 1079947647 /nfs/dbraw/zinc/94/76/47/1079947647.db2.gz BKMDRXKXPYDJQO-WMZOPIPTSA-N 1 0 411.591 2.100 20 0 HEADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000772657930 1080014816 /nfs/dbraw/zinc/01/48/16/1080014816.db2.gz HPIAYBSUVZAFHQ-IBGZPJMESA-N 1 0 403.910 2.371 20 0 HEADRO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000767659266 1080024445 /nfs/dbraw/zinc/02/44/45/1080024445.db2.gz VKDFIEWYUUHWST-GOSISDBHSA-N 1 0 406.527 2.092 20 0 HEADRO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000767662497 1080025720 /nfs/dbraw/zinc/02/57/20/1080025720.db2.gz HLOUEXPWAUXIMM-SFHVURJKSA-N 1 0 406.527 2.092 20 0 HEADRO CCOC(=O)C1C(C[N@H+](C)CC2CCOCC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000767700816 1080029912 /nfs/dbraw/zinc/02/99/12/1080029912.db2.gz JKACNXUMGOBYPN-HXUWFJFHSA-N 1 0 417.506 2.225 20 0 HEADRO Cc1ccc(N2CCCN(C(=O)C(=O)NCCC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000785519205 1080032031 /nfs/dbraw/zinc/03/20/31/1080032031.db2.gz CZRLKQOGLHMHGJ-UHFFFAOYSA-N 1 0 400.567 2.272 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000785518667 1080032509 /nfs/dbraw/zinc/03/25/09/1080032509.db2.gz VXFLMPQWTFRLEJ-GOSISDBHSA-N 1 0 424.586 2.132 20 0 HEADRO CC1CC[NH+](CCCNC(=O)C(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000785520747 1080033706 /nfs/dbraw/zinc/03/37/06/1080033706.db2.gz QTVOIYGIYGNPLE-UHFFFAOYSA-N 1 0 414.550 2.058 20 0 HEADRO C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)Cc1ccccc1 ZINC000785529740 1080040321 /nfs/dbraw/zinc/04/03/21/1080040321.db2.gz WYOFNBVNCIJNCG-FGTMMUONSA-N 1 0 407.605 2.121 20 0 HEADRO C[C@H](CO)N(CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)C[C@H](C)O ZINC000785536190 1080044468 /nfs/dbraw/zinc/04/44/68/1080044468.db2.gz CODCLSBIHRTWSU-SQNIBIBYSA-N 1 0 413.518 2.180 20 0 HEADRO COc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1N ZINC000767711391 1080045148 /nfs/dbraw/zinc/04/51/48/1080045148.db2.gz LACBVENUDDFATL-GOEBONIOSA-N 1 0 415.465 2.353 20 0 HEADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000785539187 1080047679 /nfs/dbraw/zinc/04/76/79/1080047679.db2.gz IBICZAFHAPKQDT-CEXWTWQISA-N 1 0 419.616 2.394 20 0 HEADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000785539191 1080047878 /nfs/dbraw/zinc/04/78/78/1080047878.db2.gz IBICZAFHAPKQDT-QRVBRYPASA-N 1 0 419.616 2.394 20 0 HEADRO CCOC(=O)N1CCN(C(=O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000746485563 1080056548 /nfs/dbraw/zinc/05/65/48/1080056548.db2.gz YFTHSVCSHOUJDX-FQEVSTJZSA-N 1 0 403.523 2.049 20 0 HEADRO CCOC(=O)N1CCN(C(=O)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000746485564 1080056652 /nfs/dbraw/zinc/05/66/52/1080056652.db2.gz YFTHSVCSHOUJDX-HXUWFJFHSA-N 1 0 403.523 2.049 20 0 HEADRO COCc1c(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cnn1-c1ccccc1 ZINC000767739425 1080059488 /nfs/dbraw/zinc/05/94/88/1080059488.db2.gz SRXQVQQVHFHDMK-UHFFFAOYSA-N 1 0 414.506 2.165 20 0 HEADRO CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000767773125 1080081087 /nfs/dbraw/zinc/08/10/87/1080081087.db2.gz BDMBMFGUJLZSDQ-FGSXEWAUSA-N 1 0 403.523 2.406 20 0 HEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000785573940 1080083059 /nfs/dbraw/zinc/08/30/59/1080083059.db2.gz MGADQTWPRFGZSY-HXUWFJFHSA-N 1 0 417.550 2.146 20 0 HEADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](O)c1ccc(F)cc1 ZINC000767780347 1080085103 /nfs/dbraw/zinc/08/51/03/1080085103.db2.gz RMNLHQQLYLXXKJ-OAQYLSRUSA-N 1 0 400.498 2.371 20 0 HEADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000785579944 1080085368 /nfs/dbraw/zinc/08/53/68/1080085368.db2.gz JWKYHHKBDCQHRT-HXUWFJFHSA-N 1 0 415.534 2.091 20 0 HEADRO C[C@H](OC(=O)c1cccc(-c2nc[nH]n2)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000767805912 1080088581 /nfs/dbraw/zinc/08/85/81/1080088581.db2.gz NLOPLUJAPGFJAY-OXJNMPFZSA-N 1 0 419.485 2.408 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)Nc2cc(F)ccc2F)CC1=O ZINC000785643110 1080089944 /nfs/dbraw/zinc/08/99/44/1080089944.db2.gz QPMQUCIOKKWNDS-IIAWOOMASA-N 1 0 423.460 2.168 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)C(=O)Nc2cc(F)ccc2F)CC1=O ZINC000785643113 1080090362 /nfs/dbraw/zinc/09/03/62/1080090362.db2.gz QPMQUCIOKKWNDS-IJEWVQPXSA-N 1 0 423.460 2.168 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2nc(-c3ccccc3C)no2)CC1=O ZINC000785642780 1080090576 /nfs/dbraw/zinc/09/05/76/1080090576.db2.gz ONYHCUAJLFBZAB-SJORKVTESA-N 1 0 412.490 2.421 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)CC1=O ZINC000785644707 1080092781 /nfs/dbraw/zinc/09/27/81/1080092781.db2.gz YERNHZQVRCEUCV-QLFBSQMISA-N 1 0 423.460 2.168 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](C)c2nnnn2C2CCCCC2)CC1=O ZINC000785647884 1080096614 /nfs/dbraw/zinc/09/66/14/1080096614.db2.gz MEVRRPGVJDXGHD-XYJFISCASA-N 1 0 418.542 2.115 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1=O ZINC000785651192 1080099494 /nfs/dbraw/zinc/09/94/94/1080099494.db2.gz UFWOIYQGLDFLHT-UAFMIMERSA-N 1 0 419.566 2.044 20 0 HEADRO CCc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)cc1 ZINC000785652300 1080103966 /nfs/dbraw/zinc/10/39/66/1080103966.db2.gz JGBIKROWWZALTF-XKGZKEIXSA-N 1 0 415.534 2.452 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C(=O)NC(C)(C)CC)C(C)C)CC1=O ZINC000785652224 1080105074 /nfs/dbraw/zinc/10/50/74/1080105074.db2.gz IGGWBXAOPHVNCR-LMMKCTJWSA-N 1 0 409.571 2.192 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2nc(-c3ccsc3)no2)CC1=O ZINC000785651861 1080106093 /nfs/dbraw/zinc/10/60/93/1080106093.db2.gz VYHYTBBDOCSIBK-CABCVRRESA-N 1 0 404.492 2.174 20 0 HEADRO COc1cc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cnc1Cl ZINC000767802788 1080108160 /nfs/dbraw/zinc/10/81/60/1080108160.db2.gz YTURYRJJFSEBIA-UHFFFAOYSA-N 1 0 403.932 2.009 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O ZINC000785654130 1080112003 /nfs/dbraw/zinc/11/20/03/1080112003.db2.gz RDHUWTNTSFPFIJ-MJGOQNOKSA-N 1 0 401.507 2.118 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)NC2CCCCCCC2)CC1=O ZINC000785653511 1080113052 /nfs/dbraw/zinc/11/30/52/1080113052.db2.gz OCVPDASSVSVKPU-HKUYNNGSSA-N 1 0 407.555 2.092 20 0 HEADRO CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)ccc1F ZINC000785632164 1080142896 /nfs/dbraw/zinc/14/28/96/1080142896.db2.gz DGNQKKGWKKVFTL-IFXJQAMLSA-N 1 0 407.511 2.463 20 0 HEADRO CC1(c2ccc(S(=O)(=O)NCC3CCN(c4cc[nH+]cc4)CC3)cc2)OCCO1 ZINC000767835433 1080151500 /nfs/dbraw/zinc/15/15/00/1080151500.db2.gz MHRZBSRFVMWDDL-UHFFFAOYSA-N 1 0 417.531 2.496 20 0 HEADRO C[N@H+](C[C@@H]1CCCCO1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170048914 1080160150 /nfs/dbraw/zinc/16/01/50/1080160150.db2.gz VJQWVFYQAJYABL-IKGGRYGDSA-N 1 0 413.584 2.398 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)c2cc(F)ccc2F)CC1=O ZINC000785654953 1080173185 /nfs/dbraw/zinc/17/31/85/1080173185.db2.gz UQZQRBUEXYOPDE-IIAWOOMASA-N 1 0 408.445 2.412 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)c2cc(C)c(C(=O)OC)o2)CC1=O ZINC000785656338 1080174158 /nfs/dbraw/zinc/17/41/58/1080174158.db2.gz WFTRJEPOZMDFJB-ARFHVFGLSA-N 1 0 406.479 2.312 20 0 HEADRO Cc1nccn1C[C@H](C)CNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000767857537 1080179504 /nfs/dbraw/zinc/17/95/04/1080179504.db2.gz IYSKVJXBWDHICE-CCNLRDMRSA-N 1 0 418.538 2.406 20 0 HEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000767842978 1080195425 /nfs/dbraw/zinc/19/54/25/1080195425.db2.gz CZJKODPXCKLBJM-CSNJMZFVSA-N 1 0 407.555 2.439 20 0 HEADRO CN1C(=O)c2ccc(NC(=O)COC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2C1=O ZINC000785710853 1080219298 /nfs/dbraw/zinc/21/92/98/1080219298.db2.gz ZOJIPTUVIMYYKL-UHFFFAOYSA-N 1 0 421.453 2.304 20 0 HEADRO O=C(COC(=O)c1cccc(C[NH+]2CCCC2)c1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000785715737 1080224754 /nfs/dbraw/zinc/22/47/54/1080224754.db2.gz VECGEJPETRTLMU-INIZCTEOSA-N 1 0 400.435 2.312 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000767944742 1080236437 /nfs/dbraw/zinc/23/64/37/1080236437.db2.gz JDNHZQHWJLQAGD-KURKYZTESA-N 1 0 410.559 2.063 20 0 HEADRO CC(C)(C)OC(=O)NC1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000767950835 1080240395 /nfs/dbraw/zinc/24/03/95/1080240395.db2.gz HNJBGPBBKMOWDB-YVZJPGBNSA-N 1 0 424.586 2.499 20 0 HEADRO CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000785784458 1080244561 /nfs/dbraw/zinc/24/45/61/1080244561.db2.gz XZLLOAKBHRXBRA-UHFFFAOYSA-N 1 0 407.474 2.272 20 0 HEADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000767980217 1080246590 /nfs/dbraw/zinc/24/65/90/1080246590.db2.gz CPDCHRDRWOFISA-UHFFFAOYSA-N 1 0 403.708 2.284 20 0 HEADRO COCCSCCC[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000785809542 1080252669 /nfs/dbraw/zinc/25/26/69/1080252669.db2.gz OPYQNEFONNZODE-QGZVFWFLSA-N 1 0 415.600 2.300 20 0 HEADRO CCN(CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)OC(C)(C)C ZINC000767962245 1080254051 /nfs/dbraw/zinc/25/40/51/1080254051.db2.gz MVLAURDIGUDZLH-MSOLQXFVSA-N 1 0 412.575 2.311 20 0 HEADRO Cc1ccc(C)c(N2N=C(C(=O)N3CC[N@H+](C4CCOCC4)C[C@@H]3C)CCC2=O)c1 ZINC000785816787 1080256519 /nfs/dbraw/zinc/25/65/19/1080256519.db2.gz UDVVDLTTZGHYPZ-SFHVURJKSA-N 1 0 412.534 2.498 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000785816844 1080256635 /nfs/dbraw/zinc/25/66/35/1080256635.db2.gz VCNRWWARYUTAHA-FUHWJXTLSA-N 1 0 419.953 2.400 20 0 HEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000785825771 1080261291 /nfs/dbraw/zinc/26/12/91/1080261291.db2.gz OHRBCORTLAFJBI-OAHLLOKOSA-N 1 0 417.531 2.207 20 0 HEADRO CS(=O)(=O)Nc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000767993321 1080263546 /nfs/dbraw/zinc/26/35/46/1080263546.db2.gz CHIMEUWMHHPKCM-FQEVSTJZSA-N 1 0 420.579 2.114 20 0 HEADRO C[NH+](C)Cc1cccc(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 ZINC000767995136 1080264405 /nfs/dbraw/zinc/26/44/05/1080264405.db2.gz MENYFHPGCSYSTN-UHFFFAOYSA-N 1 0 416.547 2.082 20 0 HEADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000768001895 1080270318 /nfs/dbraw/zinc/27/03/18/1080270318.db2.gz VVBXLYNJXOSATM-RYUDHWBXSA-N 1 0 401.692 2.179 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)Cc2ccc(F)cc2Cl)C1 ZINC000768066266 1080302570 /nfs/dbraw/zinc/30/25/70/1080302570.db2.gz DDBBPVDURPZNDO-MRXNPFEDSA-N 1 0 400.878 2.038 20 0 HEADRO CCOc1ccc(N2C[C@@H](C(=O)N3CC[C@H](OCC[NH+](CC)CC)C3)CC2=O)cc1 ZINC000746566419 1080304975 /nfs/dbraw/zinc/30/49/75/1080304975.db2.gz FEUCBHFUONYJHR-RXVVDRJESA-N 1 0 417.550 2.398 20 0 HEADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(F)c(S(C)(=O)=O)c3)c2)CC1 ZINC000785948645 1080311347 /nfs/dbraw/zinc/31/13/47/1080311347.db2.gz JZPPHCVOUQGCFO-UHFFFAOYSA-N 1 0 405.495 2.229 20 0 HEADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)[NH+](C)C)cc1 ZINC000768084298 1080318984 /nfs/dbraw/zinc/31/89/84/1080318984.db2.gz QRMPPPOAWLYIAN-IBGZPJMESA-N 1 0 414.481 2.194 20 0 HEADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000785973156 1080331380 /nfs/dbraw/zinc/33/13/80/1080331380.db2.gz UTEITKXPMFONSW-UHFFFAOYSA-N 1 0 419.529 2.121 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN(CCOC)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000768121843 1080336275 /nfs/dbraw/zinc/33/62/75/1080336275.db2.gz MHVXAPJFCHGMBV-IRXDYDNUSA-N 1 0 400.564 2.384 20 0 HEADRO O=C(CCn1ccnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001109202009 1080356030 /nfs/dbraw/zinc/35/60/30/1080356030.db2.gz BZVLOQDGDGIZLD-NSOKGPEJSA-N 1 0 401.461 2.439 20 0 HEADRO COc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc1Cl ZINC000768123499 1080357848 /nfs/dbraw/zinc/35/78/48/1080357848.db2.gz BVTGSXZQXRQCAK-UHFFFAOYSA-N 1 0 408.930 2.198 20 0 HEADRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC001170054337 1080367230 /nfs/dbraw/zinc/36/72/30/1080367230.db2.gz RJCHZOHPURYLSA-MSOLQXFVSA-N 1 0 419.522 2.254 20 0 HEADRO CC[C@@]1(C)CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000786009015 1080372809 /nfs/dbraw/zinc/37/28/09/1080372809.db2.gz IELRXVYUSSIKLA-QHCPKHFHSA-N 1 0 416.566 2.431 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC(C)(C)OC(C)(C)C3)cc2)CC1 ZINC000786011652 1080373927 /nfs/dbraw/zinc/37/39/27/1080373927.db2.gz PRSZXEZMIRGQED-UHFFFAOYSA-N 1 0 402.539 2.183 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000746569656 1080380060 /nfs/dbraw/zinc/38/00/60/1080380060.db2.gz MENCCXOCCGBYLV-MRXNPFEDSA-N 1 0 418.506 2.185 20 0 HEADRO C[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1nnc2n1CCCCC2 ZINC000786055702 1080386992 /nfs/dbraw/zinc/38/69/92/1080386992.db2.gz MVAKBMLMXNZMLZ-WWDZGPRUSA-N 1 0 416.570 2.095 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000768200621 1080390818 /nfs/dbraw/zinc/39/08/18/1080390818.db2.gz PBISXLMQXSSJID-CSNJMZFVSA-N 1 0 407.555 2.249 20 0 HEADRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768200837 1080390862 /nfs/dbraw/zinc/39/08/62/1080390862.db2.gz RETWABUZPLRKES-VQIMIIECSA-N 1 0 401.463 2.025 20 0 HEADRO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768203143 1080394325 /nfs/dbraw/zinc/39/43/25/1080394325.db2.gz QCMMWDRFXHWVTB-HKUYNNGSSA-N 1 0 412.490 2.426 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)CC1 ZINC001169989111 1080396778 /nfs/dbraw/zinc/39/67/78/1080396778.db2.gz BJIMWMYCLLDMHN-JOCHJYFZSA-N 1 0 414.594 2.079 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)/C(=C\c2ccccc2)n2nnnc2C)CC1 ZINC001169989131 1080396940 /nfs/dbraw/zinc/39/69/40/1080396940.db2.gz CDHXNNZMRWUOAC-LVZFUZTISA-N 1 0 410.522 2.083 20 0 HEADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC000786103056 1080397565 /nfs/dbraw/zinc/39/75/65/1080397565.db2.gz MXDRTVATEPXHKM-MSOLQXFVSA-N 1 0 419.522 2.224 20 0 HEADRO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cn1 ZINC000768193182 1080408511 /nfs/dbraw/zinc/40/85/11/1080408511.db2.gz DCJYUAOFUGPRSU-UHFFFAOYSA-N 1 0 404.511 2.499 20 0 HEADRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768195321 1080411374 /nfs/dbraw/zinc/41/13/74/1080411374.db2.gz BLAAVQMCDJRGJL-UTKZUKDTSA-N 1 0 415.534 2.403 20 0 HEADRO CC(=O)N1CCC(C[NH2+][C@@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 ZINC000768215200 1080418872 /nfs/dbraw/zinc/41/88/72/1080418872.db2.gz AIBMDGOZICGAFO-LAUBAEHRSA-N 1 0 403.523 2.261 20 0 HEADRO CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000768219948 1080423225 /nfs/dbraw/zinc/42/32/25/1080423225.db2.gz WWLBJMFRVMGICI-UHFFFAOYSA-N 1 0 406.502 2.046 20 0 HEADRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2cnc(N3CCOCC3)s2)CC1 ZINC000786155932 1080429260 /nfs/dbraw/zinc/42/92/60/1080429260.db2.gz FREWCZKLZKUGBG-UHFFFAOYSA-N 1 0 401.536 2.216 20 0 HEADRO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000768228681 1080431920 /nfs/dbraw/zinc/43/19/20/1080431920.db2.gz LIGPAWQGTNPZQU-KRWDZBQOSA-N 1 0 408.587 2.308 20 0 HEADRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768229399 1080432735 /nfs/dbraw/zinc/43/27/35/1080432735.db2.gz LHJVOBCDJFDBJZ-LWASTNQWSA-N 1 0 401.507 2.011 20 0 HEADRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768236877 1080437234 /nfs/dbraw/zinc/43/72/34/1080437234.db2.gz FWGJGEDYOKKGBX-RYTRXMBJSA-N 1 0 404.507 2.340 20 0 HEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000786126581 1080444471 /nfs/dbraw/zinc/44/44/71/1080444471.db2.gz QEYUKXWIKIXTKE-UHFFFAOYSA-N 1 0 411.911 2.104 20 0 HEADRO CC(C)CN1N=C(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CCC1=O ZINC000768244015 1080457133 /nfs/dbraw/zinc/45/71/33/1080457133.db2.gz UBSWBSCHHKWEHU-UHFFFAOYSA-N 1 0 400.523 2.464 20 0 HEADRO 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 ZINC000768294392 1080466647 /nfs/dbraw/zinc/46/66/47/1080466647.db2.gz RAADCVDRRKEJDZ-DWBSNAHUSA-N 1 0 419.566 2.391 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)n2)CC1 ZINC000786194258 1080467515 /nfs/dbraw/zinc/46/75/15/1080467515.db2.gz GUGXGCDGPYGMIX-UHFFFAOYSA-N 1 0 412.469 2.406 20 0 HEADRO CN1C(=O)C(=C(N)NOCCOc2ccccc2Br)C(=[NH2+])C12CCCC2 ZINC000768301134 1080473538 /nfs/dbraw/zinc/47/35/38/1080473538.db2.gz XVZBTULCWCSZAH-UHFFFAOYSA-N 1 0 423.311 2.324 20 0 HEADRO CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000786252583 1080491231 /nfs/dbraw/zinc/49/12/31/1080491231.db2.gz JALJSRLKJHYDIY-MRXNPFEDSA-N 1 0 400.445 2.095 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000786256851 1080495608 /nfs/dbraw/zinc/49/56/08/1080495608.db2.gz YIFNMMHWEZBRQV-INIZCTEOSA-N 1 0 401.511 2.242 20 0 HEADRO CS(=O)(=O)c1cc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)ccc1F ZINC000786261810 1080500730 /nfs/dbraw/zinc/50/07/30/1080500730.db2.gz VVZFKMXRWKAWQB-UHFFFAOYSA-N 1 0 420.506 2.116 20 0 HEADRO CCOc1cc(C[NH+]2CCC(C(=O)NCCO)CC2)ccc1OCC(F)(F)F ZINC000768316059 1080502015 /nfs/dbraw/zinc/50/20/15/1080502015.db2.gz BERVTORVZJTQEP-UHFFFAOYSA-N 1 0 404.429 2.347 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000786242951 1080516854 /nfs/dbraw/zinc/51/68/54/1080516854.db2.gz QXWHWCRATWUVLU-UHFFFAOYSA-N 1 0 401.511 2.291 20 0 HEADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc(-n4cnc5ccccc54)nc3)C2)CC1 ZINC000768408415 1080529328 /nfs/dbraw/zinc/52/93/28/1080529328.db2.gz YTJQLLCCJMCMCP-GOSISDBHSA-N 1 0 404.518 2.319 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000768390836 1080538606 /nfs/dbraw/zinc/53/86/06/1080538606.db2.gz KBHQXIZDSDKFMD-BQFCYCMXSA-N 1 0 412.575 2.031 20 0 HEADRO COc1cc(C=O)ccc1OCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000768424896 1080545706 /nfs/dbraw/zinc/54/57/06/1080545706.db2.gz IHNKOJCICDCPAK-FQEVSTJZSA-N 1 0 412.486 2.160 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000786345748 1080553417 /nfs/dbraw/zinc/55/34/17/1080553417.db2.gz XRGUUILGYZOLOB-NRFANRHFSA-N 1 0 423.513 2.464 20 0 HEADRO CCCCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000786329598 1080565055 /nfs/dbraw/zinc/56/50/55/1080565055.db2.gz FERLXBTUVWKIRU-IBGZPJMESA-N 1 0 422.614 2.158 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000786330436 1080565359 /nfs/dbraw/zinc/56/53/59/1080565359.db2.gz LIUPQMKZBNSKHI-UHFFFAOYSA-N 1 0 424.586 2.129 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000786366494 1080572174 /nfs/dbraw/zinc/57/21/74/1080572174.db2.gz BUGPIOCVEJFPQP-RDJZCZTQSA-N 1 0 411.543 2.164 20 0 HEADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCC2=CCCCC2)CC[N@@H+]1C ZINC001109304252 1080587900 /nfs/dbraw/zinc/58/79/00/1080587900.db2.gz QYNOLDLAEWRPAO-JFHUYLGKSA-N 1 0 402.583 2.055 20 0 HEADRO CC1CC[NH+](CCNC(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000786412720 1080591620 /nfs/dbraw/zinc/59/16/20/1080591620.db2.gz KSZGLQFIFOUXNY-UHFFFAOYSA-N 1 0 424.586 2.178 20 0 HEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)C1 ZINC000786415279 1080592390 /nfs/dbraw/zinc/59/23/90/1080592390.db2.gz UYMNPIGXYJSGLZ-KRWDZBQOSA-N 1 0 424.586 2.178 20 0 HEADRO CC(C)Cn1c(=S)n(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)nc1N1CCOCC1 ZINC000768505517 1080596910 /nfs/dbraw/zinc/59/69/10/1080596910.db2.gz XKMUAEFOOIJVLU-ROUUACIJSA-N 1 0 408.616 2.280 20 0 HEADRO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000768533497 1080614160 /nfs/dbraw/zinc/61/41/60/1080614160.db2.gz SIPKXALLHWWNQC-UHFFFAOYSA-N 1 0 418.494 2.167 20 0 HEADRO Cc1nc(Cn2nnc(C(=O)O[C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)c2C)no1 ZINC000786484941 1080627077 /nfs/dbraw/zinc/62/70/77/1080627077.db2.gz QPNDVMKCUGHUOG-QAPCUYQASA-N 1 0 410.478 2.394 20 0 HEADRO CCOC(=O)C1(C(=O)O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000768576038 1080641669 /nfs/dbraw/zinc/64/16/69/1080641669.db2.gz JEGLKLZJUKDCJW-KRWDZBQOSA-N 1 0 416.518 2.432 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000768579351 1080643232 /nfs/dbraw/zinc/64/32/32/1080643232.db2.gz IGYBGARSNQJIHD-IRXDYDNUSA-N 1 0 416.490 2.181 20 0 HEADRO Cc1cc(=O)oc2cc(OCC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)ccc12 ZINC000768584847 1080666315 /nfs/dbraw/zinc/66/63/15/1080666315.db2.gz UYYVIBVRZQJRGP-WOJBJXKFSA-N 1 0 414.502 2.364 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2n[nH]c(C3CC3)c2Br)CC1 ZINC000768633249 1080690370 /nfs/dbraw/zinc/69/03/70/1080690370.db2.gz RTPXRMXPDBDVTN-UHFFFAOYSA-N 1 0 413.316 2.195 20 0 HEADRO C[C@@H](NC(=O)C(=O)NCc1ccc(Cl)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000786603137 1080703744 /nfs/dbraw/zinc/70/37/44/1080703744.db2.gz OAEBPSOUTZWKSK-QAPCUYQASA-N 1 0 400.910 2.378 20 0 HEADRO CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC000746593319 1080707361 /nfs/dbraw/zinc/70/73/61/1080707361.db2.gz FGSPZGWOOFSOGG-JPYJTQIMSA-N 1 0 423.517 2.413 20 0 HEADRO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000768675906 1080711559 /nfs/dbraw/zinc/71/15/59/1080711559.db2.gz XAYCYAOEYCTPSZ-KFKAGJAMSA-N 1 0 405.539 2.497 20 0 HEADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1ccc(Cl)nc1 ZINC000786620619 1080715501 /nfs/dbraw/zinc/71/55/01/1080715501.db2.gz PFXRGIKKACJOII-INIZCTEOSA-N 1 0 400.910 2.474 20 0 HEADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000786623546 1080717287 /nfs/dbraw/zinc/71/72/87/1080717287.db2.gz BYJAVAATKGXKCN-VQTJNVASSA-N 1 0 401.555 2.295 20 0 HEADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NCc1ccc(Cl)nc1 ZINC000786594570 1080731985 /nfs/dbraw/zinc/73/19/85/1080731985.db2.gz LKNHOYDOAOTYLF-UHFFFAOYSA-N 1 0 416.909 2.142 20 0 HEADRO Cc1nonc1CNC(=O)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000786649507 1080734185 /nfs/dbraw/zinc/73/41/85/1080734185.db2.gz RVBQWCSUSWQWAH-UHFFFAOYSA-N 1 0 407.474 2.039 20 0 HEADRO C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000768721223 1080737781 /nfs/dbraw/zinc/73/77/81/1080737781.db2.gz PSHXWCFGYLTETM-HNNXBMFYSA-N 1 0 418.457 2.210 20 0 HEADRO C[C@@H]1[C@H](C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000786633102 1080750845 /nfs/dbraw/zinc/75/08/45/1080750845.db2.gz UVUXSHRSKMJAOA-CZUORRHYSA-N 1 0 404.511 2.431 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000768726057 1080754983 /nfs/dbraw/zinc/75/49/83/1080754983.db2.gz BAOGOELMRINJEN-CYBMUJFWSA-N 1 0 409.412 2.430 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCN(c4nc(F)c(F)cc4F)CC3)n2)CC1 ZINC000786702807 1080763204 /nfs/dbraw/zinc/76/32/04/1080763204.db2.gz KPJHBOHGSVWRFD-UHFFFAOYSA-N 1 0 423.443 2.316 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CCCN(Cc4ccccc4)C3=O)n2)CC1 ZINC000786704377 1080763458 /nfs/dbraw/zinc/76/34/58/1080763458.db2.gz KJJBOZCWDQFQDK-IBGZPJMESA-N 1 0 410.522 2.463 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000768745294 1080768534 /nfs/dbraw/zinc/76/85/34/1080768534.db2.gz GIDBRTVBWYUHRK-LJQANCHMSA-N 1 0 414.550 2.375 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000786719295 1080771135 /nfs/dbraw/zinc/77/11/35/1080771135.db2.gz OOBUCEHNRWYGKV-MSOLQXFVSA-N 1 0 419.551 2.193 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000786734821 1080783630 /nfs/dbraw/zinc/78/36/30/1080783630.db2.gz KZZWQOXXXGKWRA-QGZVFWFLSA-N 1 0 421.567 2.268 20 0 HEADRO CC(C)(C)OC(=O)NCCCNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000786747923 1080792868 /nfs/dbraw/zinc/79/28/68/1080792868.db2.gz VIFKZVORESDFPX-UHFFFAOYSA-N 1 0 424.586 2.180 20 0 HEADRO CN1CC[NH+](CC2CCN(C(=O)c3sc(N4CCCC4)nc3Cl)CC2)CC1 ZINC000746602153 1080794491 /nfs/dbraw/zinc/79/44/91/1080794491.db2.gz ZKISSXLAJHLWBX-UHFFFAOYSA-N 1 0 412.003 2.496 20 0 HEADRO C[NH+](C)[C@@H](CNC(=S)NCCN1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000768783619 1080796422 /nfs/dbraw/zinc/79/64/22/1080796422.db2.gz FNTAPGXSFGUCNE-INIZCTEOSA-N 1 0 404.502 2.104 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000786721464 1080799179 /nfs/dbraw/zinc/79/91/79/1080799179.db2.gz HSFGQZZMDDZMLZ-UHFFFAOYSA-N 1 0 411.572 2.108 20 0 HEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000768849278 1080804295 /nfs/dbraw/zinc/80/42/95/1080804295.db2.gz GDZBUEPRFPAWDI-FGCJYXMVSA-N 1 0 405.564 2.250 20 0 HEADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786827201 1080827401 /nfs/dbraw/zinc/82/74/01/1080827401.db2.gz CJTYHBNJTFSBNX-RTBURBONSA-N 1 0 408.550 2.473 20 0 HEADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000786799296 1080832804 /nfs/dbraw/zinc/83/28/04/1080832804.db2.gz GMFHUDYJQPDRFE-OAHLLOKOSA-N 1 0 402.520 2.116 20 0 HEADRO CS(=O)(=O)c1cccc(NC(=O)COC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000786815233 1080840473 /nfs/dbraw/zinc/84/04/73/1080840473.db2.gz BWEQOHJGNIIXME-UHFFFAOYSA-N 1 0 416.499 2.020 20 0 HEADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786855100 1080853799 /nfs/dbraw/zinc/85/37/99/1080853799.db2.gz XZTCTXYZIQHNPV-ZDUSSCGKSA-N 1 0 416.494 2.131 20 0 HEADRO O=C(COc1ccc2ccc(=O)oc2c1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000768919478 1080856950 /nfs/dbraw/zinc/85/69/50/1080856950.db2.gz RQNXVABFLMIUBU-FPOVZHCZSA-N 1 0 422.481 2.171 20 0 HEADRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000786877589 1080865733 /nfs/dbraw/zinc/86/57/33/1080865733.db2.gz GQFBXXSMDFXHGB-NRFANRHFSA-N 1 0 415.534 2.408 20 0 HEADRO COC(=O)Nc1ccc(CNC(=O)COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000786877415 1080865946 /nfs/dbraw/zinc/86/59/46/1080865946.db2.gz BYSKHTJTBGFCEO-SFHVURJKSA-N 1 0 403.479 2.431 20 0 HEADRO CC(C)Oc1cccc(CNC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000786841121 1080868460 /nfs/dbraw/zinc/86/84/60/1080868460.db2.gz KCVHUBIKSLXQSY-UHFFFAOYSA-N 1 0 410.518 2.266 20 0 HEADRO NC(=O)COc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000786842416 1080869060 /nfs/dbraw/zinc/86/90/60/1080869060.db2.gz ZRDQRWFXQFIYLK-LJQANCHMSA-N 1 0 403.429 2.110 20 0 HEADRO Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)n12 ZINC000786891004 1080871143 /nfs/dbraw/zinc/87/11/43/1080871143.db2.gz NEXBKJYMXGSOQE-GOSISDBHSA-N 1 0 409.490 2.340 20 0 HEADRO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000786893067 1080871903 /nfs/dbraw/zinc/87/19/03/1080871903.db2.gz UHGOKNMVGFMDPD-HXUWFJFHSA-N 1 0 413.518 2.145 20 0 HEADRO Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1N1C(=O)CCC1=O ZINC000768992343 1080878583 /nfs/dbraw/zinc/87/85/83/1080878583.db2.gz VWYFLRXSFYXJAS-RTBURBONSA-N 1 0 414.506 2.148 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000768953829 1080881848 /nfs/dbraw/zinc/88/18/48/1080881848.db2.gz AWVHTZOWVMZJJV-QGZVFWFLSA-N 1 0 411.591 2.149 20 0 HEADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000769029644 1080890106 /nfs/dbraw/zinc/89/01/06/1080890106.db2.gz YAHLOCLONYORJL-GOSISDBHSA-N 1 0 407.511 2.360 20 0 HEADRO O=C(Nc1ccn(Cc2ccccn2)n1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000768996518 1080894829 /nfs/dbraw/zinc/89/48/29/1080894829.db2.gz RQNJCIDCDVUYNC-CTNGQTDRSA-N 1 0 420.517 2.331 20 0 HEADRO O=C(NC[C@@H]1COc2ccccc2C1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769017150 1080899564 /nfs/dbraw/zinc/89/95/64/1080899564.db2.gz QZPBFWMFWLRVJG-BAGYTPMASA-N 1 0 409.530 2.420 20 0 HEADRO CC1CCC(NS(=O)(=O)CC(=O)OCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000769102732 1080911464 /nfs/dbraw/zinc/91/14/64/1080911464.db2.gz PNYVGWLNSYFLFR-UHFFFAOYSA-N 1 0 400.516 2.299 20 0 HEADRO Cc1cccc([C@@H](O)CNC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000769105671 1080935407 /nfs/dbraw/zinc/93/54/07/1080935407.db2.gz OAUVUCZDXNRJQO-VXKWHMMOSA-N 1 0 424.545 2.225 20 0 HEADRO COC(=O)CC(C)(C)C(=O)OCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000769133612 1080951575 /nfs/dbraw/zinc/95/15/75/1080951575.db2.gz IDVUGDOAELQRPX-UHFFFAOYSA-N 1 0 404.507 2.162 20 0 HEADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000769192803 1080967320 /nfs/dbraw/zinc/96/73/20/1080967320.db2.gz PGXGDRYWWQSASR-MRXNPFEDSA-N 1 0 405.495 2.268 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000769148223 1080968732 /nfs/dbraw/zinc/96/87/32/1080968732.db2.gz TVTZXJFGKKWTQR-UHFFFAOYSA-N 1 0 408.587 2.452 20 0 HEADRO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769153474 1080972864 /nfs/dbraw/zinc/97/28/64/1080972864.db2.gz IREJPLBVQIXWLL-QXCFHYIPSA-N 1 0 424.586 2.309 20 0 HEADRO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCN1C(=O)OC(C)(C)C ZINC000769154812 1080973474 /nfs/dbraw/zinc/97/34/74/1080973474.db2.gz METOONOMDBXPOF-NXHRZFHOSA-N 1 0 410.559 2.015 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2=O)cc1 ZINC000769157677 1080975888 /nfs/dbraw/zinc/97/58/88/1080975888.db2.gz YKVOYQJNQHQGHG-PCCBWWKXSA-N 1 0 414.550 2.167 20 0 HEADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)Cc2ccccc2CO)CC1 ZINC000787067544 1080976727 /nfs/dbraw/zinc/97/67/27/1080976727.db2.gz YGRNJFQIHBMUAE-UHFFFAOYSA-N 1 0 410.514 2.308 20 0 HEADRO O=C(NCc1nc(Cc2ccccc2)no1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000769165609 1080982550 /nfs/dbraw/zinc/98/25/50/1080982550.db2.gz ZTOZIXIJGGSYEW-MOPGFXCFSA-N 1 0 413.522 2.228 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000787081665 1080985414 /nfs/dbraw/zinc/98/54/14/1080985414.db2.gz XUERQMDVOKRKRO-SFHVURJKSA-N 1 0 421.904 2.159 20 0 HEADRO C[C@H](CNC(=O)C(=O)NCc1cccc(NC(=O)C2CCC2)c1)[NH+]1CCCCC1 ZINC000787084779 1080987623 /nfs/dbraw/zinc/98/76/23/1080987623.db2.gz RIRHRJNOJPRAOR-MRXNPFEDSA-N 1 0 400.523 2.032 20 0 HEADRO C[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000769211941 1081003406 /nfs/dbraw/zinc/00/34/06/1081003406.db2.gz JWGYMBQJTMARKO-UHFFFAOYSA-N 1 0 412.552 2.377 20 0 HEADRO O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787109981 1081004540 /nfs/dbraw/zinc/00/45/40/1081004540.db2.gz SWEJADFPYCLVGR-VYDXJSESSA-N 1 0 419.488 2.231 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000787112201 1081005393 /nfs/dbraw/zinc/00/53/93/1081005393.db2.gz CIXXFWLANDVDRD-RTWAWAEBSA-N 1 0 414.550 2.285 20 0 HEADRO C[C@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787112164 1081005529 /nfs/dbraw/zinc/00/55/29/1081005529.db2.gz CAMXXXDBXSJGNZ-RHSMWYFYSA-N 1 0 409.477 2.244 20 0 HEADRO C[NH+](C)C1CCN(CCNC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000787113773 1081005887 /nfs/dbraw/zinc/00/58/87/1081005887.db2.gz ITTNRJOLWSAICQ-UHFFFAOYSA-N 1 0 404.555 2.467 20 0 HEADRO CN(CCCCc1ccccc1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787120730 1081008539 /nfs/dbraw/zinc/00/85/39/1081008539.db2.gz BZRGMGWVWUOLRC-NRFANRHFSA-N 1 0 401.551 2.227 20 0 HEADRO Cc1ccc(OCCCCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000787120729 1081008553 /nfs/dbraw/zinc/00/85/53/1081008553.db2.gz BZPLAVUORYYMAN-OAQYLSRUSA-N 1 0 417.550 2.030 20 0 HEADRO O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787119981 1081009221 /nfs/dbraw/zinc/00/92/21/1081009221.db2.gz AOMIIIBVRVHWLG-BAGYTPMASA-N 1 0 413.562 2.274 20 0 HEADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000787101796 1081013306 /nfs/dbraw/zinc/01/33/06/1081013306.db2.gz FDFDWTRTIUGXNU-LPHOPBHVSA-N 1 0 409.477 2.292 20 0 HEADRO Cc1cc(N2CCC[C@@H](NC(=O)/C=C\c3ccc(OCC[NH+](C)C)cc3)C2)n(C)n1 ZINC000769287839 1081013968 /nfs/dbraw/zinc/01/39/68/1081013968.db2.gz UZTKZJOOXQXOHY-FNUUXAGOSA-N 1 0 411.550 2.467 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1c(=O)oc2cc(Br)ccc21 ZINC000746638945 1081015862 /nfs/dbraw/zinc/01/58/62/1081015862.db2.gz VCYMBLLOBBVULY-FMKPAKJESA-N 1 0 410.312 2.498 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000769253233 1081017963 /nfs/dbraw/zinc/01/79/63/1081017963.db2.gz LWXYEYAFECUFHK-ZDUSSCGKSA-N 1 0 409.412 2.430 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCC(c2ccsc2)CC1 ZINC000787132034 1081021206 /nfs/dbraw/zinc/02/12/06/1081021206.db2.gz XPJGCPYLLQWGKG-LJQANCHMSA-N 1 0 405.564 2.214 20 0 HEADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000787135672 1081021975 /nfs/dbraw/zinc/02/19/75/1081021975.db2.gz FVAYHKHCFXUXKP-GOSISDBHSA-N 1 0 410.493 2.317 20 0 HEADRO CC(C)(O)c1ccc(CNC(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000787135995 1081023120 /nfs/dbraw/zinc/02/31/20/1081023120.db2.gz FSEYARWXUICAEX-UHFFFAOYSA-N 1 0 423.557 2.354 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCSC[C@H]1c1ccccc1 ZINC000787141444 1081025279 /nfs/dbraw/zinc/02/52/79/1081025279.db2.gz VCRNOPJCZTTXCN-PMACEKPBSA-N 1 0 417.575 2.063 20 0 HEADRO CCOC(=O)c1cn(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)nc1C(F)(F)F ZINC000746644701 1081031341 /nfs/dbraw/zinc/03/13/41/1081031341.db2.gz BYFHNOYOTLJTNV-VHDGCEQUSA-N 1 0 404.433 2.220 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CN1c2cccc(Br)c2C(=O)C1=O ZINC000746647385 1081032058 /nfs/dbraw/zinc/03/20/58/1081032058.db2.gz IRTKLZQVFQRNGG-XPKDYRNWSA-N 1 0 422.323 2.119 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)cc1 ZINC000787155481 1081033582 /nfs/dbraw/zinc/03/35/82/1081033582.db2.gz GBHNWWCHTVWHHF-CQGGRAHPSA-N 1 0 421.607 2.341 20 0 HEADRO CC(C)Oc1cccc(CN(C)C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000787123481 1081033874 /nfs/dbraw/zinc/03/38/74/1081033874.db2.gz LAHJXGYVJIHIKR-OAQYLSRUSA-N 1 0 417.550 2.192 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCSC2(CCCCC2)C1 ZINC000787124293 1081034640 /nfs/dbraw/zinc/03/46/40/1081034640.db2.gz MYNPUSYEAVMYRY-SFHVURJKSA-N 1 0 409.596 2.024 20 0 HEADRO CCN(Cc1ccccc1Cl)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787126716 1081035352 /nfs/dbraw/zinc/03/53/52/1081035352.db2.gz SECLLSRDPRUOFJ-GOSISDBHSA-N 1 0 407.942 2.448 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000787130765 1081036634 /nfs/dbraw/zinc/03/66/34/1081036634.db2.gz ONIQBJDBPQLLBB-OAQYLSRUSA-N 1 0 417.525 2.291 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1sccc1S(=O)(=O)C(F)F ZINC000769306424 1081037579 /nfs/dbraw/zinc/03/75/79/1081037579.db2.gz GXVVIFBMCQJYQX-QWHCGFSZSA-N 1 0 422.519 2.242 20 0 HEADRO O=C(CN1C(=S)N=NC1c1cccs1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000769313577 1081039575 /nfs/dbraw/zinc/03/95/75/1081039575.db2.gz HJVFDGMIAIFGJC-LSDHHAIUSA-N 1 0 421.592 2.179 20 0 HEADRO CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000769316065 1081039904 /nfs/dbraw/zinc/03/99/04/1081039904.db2.gz NBHQSBANCZVJDW-MOPGFXCFSA-N 1 0 412.527 2.117 20 0 HEADRO C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1ccc2c(c1)CC(=O)N2C ZINC000787175199 1081045493 /nfs/dbraw/zinc/04/54/93/1081045493.db2.gz VZFGMUJBHJAUGP-HOTGVXAUSA-N 1 0 400.523 2.161 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000787157550 1081049197 /nfs/dbraw/zinc/04/91/97/1081049197.db2.gz QJXWJWDDIGQCHD-GOSISDBHSA-N 1 0 415.534 2.043 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000769371952 1081056035 /nfs/dbraw/zinc/05/60/35/1081056035.db2.gz YTKUWZOARNRIRE-UHFFFAOYSA-N 1 0 415.400 2.465 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000769384552 1081059666 /nfs/dbraw/zinc/05/96/66/1081059666.db2.gz LWIQOEYBQMNIFX-IBGZPJMESA-N 1 0 405.539 2.497 20 0 HEADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cnc(Cl)n1C)c1cccc(OC)c1 ZINC000769390966 1081061218 /nfs/dbraw/zinc/06/12/18/1081061218.db2.gz WFWSIFGCXVTRRD-HNNXBMFYSA-N 1 0 400.932 2.444 20 0 HEADRO COCCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000744417431 1081063048 /nfs/dbraw/zinc/06/30/48/1081063048.db2.gz UGCCVGCHKNDDQC-GBESFXJTSA-N 1 0 405.539 2.224 20 0 HEADRO Nc1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)ncc1C(F)(F)F ZINC001170070819 1081066358 /nfs/dbraw/zinc/06/63/58/1081066358.db2.gz IATCNIVOYQFTJK-UHFFFAOYSA-N 1 0 411.409 2.385 20 0 HEADRO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000769434608 1081073279 /nfs/dbraw/zinc/07/32/79/1081073279.db2.gz NRGLKYSUYVBUIR-JOCHJYFZSA-N 1 0 412.534 2.367 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787225352 1081078279 /nfs/dbraw/zinc/07/82/79/1081078279.db2.gz IGOPMMRBRBXYHG-ZWKOTPCHSA-N 1 0 406.502 2.417 20 0 HEADRO CCCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000787233919 1081081637 /nfs/dbraw/zinc/08/16/37/1081081637.db2.gz XVBPVTMZZQEQPA-UHFFFAOYSA-N 1 0 405.539 2.479 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OC(C)C)c(OC)c2)C1 ZINC000787234294 1081082566 /nfs/dbraw/zinc/08/25/66/1081082566.db2.gz MKNSMYRSZCUDPU-SFHVURJKSA-N 1 0 405.539 2.289 20 0 HEADRO C[Si](C)(C)c1cccnc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170071546 1081094132 /nfs/dbraw/zinc/09/41/32/1081094132.db2.gz VRLCMGCDYGABBD-UHFFFAOYSA-N 1 0 400.580 2.329 20 0 HEADRO C[C@](O)(CCNC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000787291406 1081095150 /nfs/dbraw/zinc/09/51/50/1081095150.db2.gz PXUXKOVLUSTONY-DEOSSOPVSA-N 1 0 409.530 2.313 20 0 HEADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000787292761 1081095237 /nfs/dbraw/zinc/09/52/37/1081095237.db2.gz WHJAPSZKHQTKCR-HXUWFJFHSA-N 1 0 415.534 2.091 20 0 HEADRO COc1c(C)cnc(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000787292621 1081095531 /nfs/dbraw/zinc/09/55/31/1081095531.db2.gz UEEGZSKQRCOKNJ-UHFFFAOYSA-N 1 0 410.518 2.235 20 0 HEADRO O=C1NCCCN1C1CC[NH+](Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000769499156 1081097909 /nfs/dbraw/zinc/09/79/09/1081097909.db2.gz XWIGGSOALDLXJK-UHFFFAOYSA-N 1 0 409.534 2.451 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000769503407 1081099413 /nfs/dbraw/zinc/09/94/13/1081099413.db2.gz KEXMHKYZCVLCQK-HZPDHXFCSA-N 1 0 402.992 2.368 20 0 HEADRO C[C@H]1[C@@H](C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000787267731 1081100356 /nfs/dbraw/zinc/10/03/56/1081100356.db2.gz DWDHSIHBVFIOKP-OKYOBFRVSA-N 1 0 408.587 2.307 20 0 HEADRO CCCn1c(=O)cc(Nc2ncnc3sc4c(c32)CC[NH2+]C4)n(CCC)c1=O ZINC001170007017 1081102482 /nfs/dbraw/zinc/10/24/82/1081102482.db2.gz GYXAYBCIKGQZDV-UHFFFAOYSA-N 1 0 400.508 2.224 20 0 HEADRO CCOC(=O)C1=C(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)NC(=O)N[C@@H]1C ZINC000746668170 1081104139 /nfs/dbraw/zinc/10/41/39/1081104139.db2.gz NBVABZZFUYPZQL-SJLPKXTDSA-N 1 0 400.523 2.101 20 0 HEADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000769517546 1081105498 /nfs/dbraw/zinc/10/54/98/1081105498.db2.gz OWIWKMXHTYSVRT-AABGKKOBSA-N 1 0 410.603 2.161 20 0 HEADRO C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000769538228 1081114457 /nfs/dbraw/zinc/11/44/57/1081114457.db2.gz APCVZLGHSOJZNH-UHFFFAOYSA-N 1 0 402.539 2.305 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000769537889 1081114658 /nfs/dbraw/zinc/11/46/58/1081114658.db2.gz NUCUHNCCOPAWAK-QRQLOZEOSA-N 1 0 420.554 2.082 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc(F)c1F ZINC000769547754 1081121349 /nfs/dbraw/zinc/12/13/49/1081121349.db2.gz GRTAKCPFDQAAON-UHFFFAOYSA-N 1 0 414.430 2.493 20 0 HEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000769599812 1081137497 /nfs/dbraw/zinc/13/74/97/1081137497.db2.gz OHAZSRBIZAOTNL-WBVHZDCISA-N 1 0 411.543 2.459 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)c3nccn4c(Br)cnc34)cc2)CC1 ZINC000769615209 1081172618 /nfs/dbraw/zinc/17/26/18/1081172618.db2.gz OSEUYWQCGYJOGD-UHFFFAOYSA-N 1 0 415.295 2.496 20 0 HEADRO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@]3(CCOC3)C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164390382 718807400 /nfs/dbraw/zinc/80/74/00/718807400.db2.gz PUDPGTQSAHWVCJ-GAJHUEQPSA-N 1 0 416.566 2.497 20 0 HEADRO COc1ccccc1-c1cc(C(F)(F)N2CCN3CC[NH2+]C[C@H]3C2)c(Cl)nn1 ZINC001164399824 718844040 /nfs/dbraw/zinc/84/40/40/718844040.db2.gz HHCWJLWHNCNILG-ZDUSSCGKSA-N 1 0 409.868 2.444 20 0 HEADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)c2c1C ZINC001164408679 718852980 /nfs/dbraw/zinc/85/29/80/718852980.db2.gz SEWHEJQBECYUPE-KKSFZXQISA-N 1 0 401.580 2.312 20 0 HEADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c2c1C ZINC001164408677 718853034 /nfs/dbraw/zinc/85/30/34/718853034.db2.gz SEWHEJQBECYUPE-IERDGZPVSA-N 1 0 401.580 2.312 20 0 HEADRO OC[C@]12C[NH2+]C[C@@H]1CN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164403809 718853765 /nfs/dbraw/zinc/85/37/65/718853765.db2.gz IWNMUBHXPGWEFV-IVZQSRNASA-N 1 0 413.591 2.184 20 0 HEADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164434729 718967786 /nfs/dbraw/zinc/96/77/86/718967786.db2.gz VFSVEDFXSGNJFJ-QWHCGFSZSA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN([C@H](F)Oc1ccnc(Cl)c1)C2 ZINC001164434471 718969045 /nfs/dbraw/zinc/96/90/45/718969045.db2.gz RBOSISWGFCAYGL-ZNMIVQPWSA-N 1 0 411.783 2.384 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164435108 718969924 /nfs/dbraw/zinc/96/99/24/718969924.db2.gz ZCQOUJLYLPBMRZ-CHWSQXEVSA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(-c2ccc(Cl)nc2)no1 ZINC001164614969 719018814 /nfs/dbraw/zinc/01/88/14/719018814.db2.gz GZRLBWAMXLSXGH-GRYCIOLGSA-N 1 0 413.812 2.060 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc4c3CNC4=O)CC2)CC1 ZINC001164616970 719028605 /nfs/dbraw/zinc/02/86/05/719028605.db2.gz GEDMONYAFJYICU-UHFFFAOYSA-N 1 0 406.914 2.222 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc(C(=O)OC)n3)CC2)CC1 ZINC001164618614 719033471 /nfs/dbraw/zinc/03/34/71/719033471.db2.gz VVBZEGNIVNMMQR-UHFFFAOYSA-N 1 0 410.902 2.161 20 0 HEADRO CC(C)N(C)Cc1nn(-c2nc3ccccc3nc2N2CCOCC2)c2c1CC[NH2+]C2 ZINC001164681620 719620887 /nfs/dbraw/zinc/62/08/87/719620887.db2.gz JHUPRMXCDUVSDQ-UHFFFAOYSA-N 1 0 421.549 2.138 20 0 HEADRO CS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164696196 719897247 /nfs/dbraw/zinc/89/72/47/719897247.db2.gz BHQHPXIOCGPMHD-UHFFFAOYSA-N 1 0 407.561 2.418 20 0 HEADRO O=C(NC1CC1)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC001164707769 719900552 /nfs/dbraw/zinc/90/05/52/719900552.db2.gz XSMBKPXRABUBGU-UHFFFAOYSA-N 1 0 413.547 2.302 20 0 HEADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164807871 720071259 /nfs/dbraw/zinc/07/12/59/720071259.db2.gz GFWVFUDQKQVIGS-FOIQADDNSA-N 1 0 408.930 2.491 20 0 HEADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164807874 720071937 /nfs/dbraw/zinc/07/19/37/720071937.db2.gz GFWVFUDQKQVIGS-YWZLYKJASA-N 1 0 408.930 2.491 20 0 HEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc(Cl)c1CC(=O)OC)C2 ZINC001164813639 720099752 /nfs/dbraw/zinc/09/97/52/720099752.db2.gz UTFJJIISNQUNCL-QRWLVFNGSA-N 1 0 408.930 2.030 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(OC)c(OC)n1)CC2 ZINC001164714900 720116834 /nfs/dbraw/zinc/11/68/34/720116834.db2.gz DSPUIIGLETVEMW-SFHVURJKSA-N 1 0 413.522 2.396 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1[C@@H](C)C(=O)N3)CC2 ZINC001164714869 720124103 /nfs/dbraw/zinc/12/41/03/720124103.db2.gz CWCBKEFXBBYNRZ-AEFFLSMTSA-N 1 0 422.533 2.435 20 0 HEADRO Cn1nnc2c1CCN(c1cc(Cl)nc(C3CC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716135 720171245 /nfs/dbraw/zinc/17/12/45/720171245.db2.gz XYTRAHBFAUHXEG-INIZCTEOSA-N 1 0 417.945 2.352 20 0 HEADRO Cc1nc2ccccc2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164716212 720173088 /nfs/dbraw/zinc/17/30/88/720173088.db2.gz YZPPPJWEKNCIQE-HXUWFJFHSA-N 1 0 407.522 2.283 20 0 HEADRO Cn1nnc2c1CCN(c1cnc3ccc(F)cc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717743 720178793 /nfs/dbraw/zinc/17/87/93/720178793.db2.gz MBNOOXFTUOVSAU-LJQANCHMSA-N 1 0 411.485 2.114 20 0 HEADRO Cn1nnc2c1CCN(c1ncc3cc(F)ccc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714987 720192118 /nfs/dbraw/zinc/19/21/18/720192118.db2.gz ICPKPKSGZQIWQI-LJQANCHMSA-N 1 0 411.485 2.114 20 0 HEADRO Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(-c2ccco2)n1 ZINC001164716618 720199713 /nfs/dbraw/zinc/19/97/13/720199713.db2.gz QDGALUHTPDMRCK-GOSISDBHSA-N 1 0 423.521 2.390 20 0 HEADRO COc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc2ccccc21 ZINC001164814728 720227378 /nfs/dbraw/zinc/22/73/78/720227378.db2.gz XDUJLGFZZHGMCH-UHFFFAOYSA-N 1 0 408.506 2.446 20 0 HEADRO CC(C)OC(=O)c1cccnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164817144 720244604 /nfs/dbraw/zinc/24/46/04/720244604.db2.gz PILBEYNDQLDGML-UHFFFAOYSA-N 1 0 413.522 2.454 20 0 HEADRO COc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164821210 720284475 /nfs/dbraw/zinc/28/44/75/720284475.db2.gz ZDAUGJYQINULID-ZWKOTPCHSA-N 1 0 416.570 2.217 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(N3CCCCC3)nn2)CC1 ZINC001164818486 720287358 /nfs/dbraw/zinc/28/73/58/720287358.db2.gz 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CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000745745178 1078633097 /nfs/dbraw/zinc/63/30/97/1078633097.db2.gz YDGXPFIAPPPNHR-LJQANCHMSA-N 1 0 415.582 2.276 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)C1CCCC1 ZINC000769919537 1078634921 /nfs/dbraw/zinc/63/49/21/1078634921.db2.gz GZFPIUZKTKPWRH-MRXNPFEDSA-N 1 0 408.499 2.279 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000745781407 1078640251 /nfs/dbraw/zinc/64/02/51/1078640251.db2.gz NXPRLNHRYGIFST-ZWKOTPCHSA-N 1 0 417.554 2.277 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc(Br)c(C=O)c2)C1 ZINC000769884553 1078642824 /nfs/dbraw/zinc/64/28/24/1078642824.db2.gz KNCGABUDFAURSQ-INIZCTEOSA-N 1 0 413.312 2.113 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc(Br)c(C=O)c2)C1 ZINC000769884557 1078642851 /nfs/dbraw/zinc/64/28/51/1078642851.db2.gz KNCGABUDFAURSQ-MRXNPFEDSA-N 1 0 413.312 2.113 20 0 HEADRO C[C@H](NC(=O)NC[C@@](C)(O)c1ccco1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000745794490 1078649968 /nfs/dbraw/zinc/64/99/68/1078649968.db2.gz BYHBJGJNIAPNMI-YCRPNKLZSA-N 1 0 404.486 2.438 20 0 HEADRO CCCN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000769959670 1078652430 /nfs/dbraw/zinc/65/24/30/1078652430.db2.gz QJKYWFZDVAYVGP-LJQANCHMSA-N 1 0 412.893 2.046 20 0 HEADRO C[C@H](CNC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000769965049 1078656684 /nfs/dbraw/zinc/65/66/84/1078656684.db2.gz MKYAJTABHGNRPC-JRGCBEDISA-N 1 0 411.550 2.322 20 0 HEADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000769975368 1078670773 /nfs/dbraw/zinc/67/07/73/1078670773.db2.gz SPASNBHXMDQTTI-QINHECLXSA-N 1 0 423.517 2.359 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000745825819 1078665254 /nfs/dbraw/zinc/66/52/54/1078665254.db2.gz SIBJBQKPAATFIK-QZTJIDSGSA-N 1 0 410.559 2.329 20 0 HEADRO CN(C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000745825110 1078665274 /nfs/dbraw/zinc/66/52/74/1078665274.db2.gz NQNUVKUHBIYTDB-PMACEKPBSA-N 1 0 400.523 2.077 20 0 HEADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c2)C1 ZINC000769938798 1078665307 /nfs/dbraw/zinc/66/53/07/1078665307.db2.gz KBBFAVABHQKZNE-DOTOQJQBSA-N 1 0 407.511 2.261 20 0 HEADRO C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCN1C(=O)OC(C)(C)C ZINC000745825366 1078665354 /nfs/dbraw/zinc/66/53/54/1078665354.db2.gz PCCTYZJZAFAQDK-SJLPKXTDSA-N 1 0 410.559 2.281 20 0 HEADRO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769940301 1078665917 /nfs/dbraw/zinc/66/59/17/1078665917.db2.gz MVGQRHZSPVVUQC-MRXNPFEDSA-N 1 0 424.586 2.081 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)N3CCC(OCC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000745853228 1078671364 /nfs/dbraw/zinc/67/13/64/1078671364.db2.gz GFYUUPZUTYDSPT-NRFANRHFSA-N 1 0 414.550 2.387 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)C2=O)cc1 ZINC000745879722 1078682652 /nfs/dbraw/zinc/68/26/52/1078682652.db2.gz WBCGGZXMJRBJOA-VQTJNVASSA-N 1 0 402.539 2.243 20 0 HEADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745942198 1078698628 /nfs/dbraw/zinc/69/86/28/1078698628.db2.gz BINOINWIKYMABY-UHFFFAOYSA-N 1 0 418.972 2.315 20 0 HEADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1nccn2c(Br)cnc12 ZINC000770035118 1078698641 /nfs/dbraw/zinc/69/86/41/1078698641.db2.gz HCWKSCLTPLPLJO-UHFFFAOYSA-N 1 0 418.295 2.401 20 0 HEADRO CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000770049589 1078704409 /nfs/dbraw/zinc/70/44/09/1078704409.db2.gz OICIFBHEYBLIIO-KXBFYZLASA-N 1 0 405.520 2.290 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@H](C(F)(F)F)O[C@@H](C)C3)cc2)CC1 ZINC000745946290 1078705102 /nfs/dbraw/zinc/70/51/02/1078705102.db2.gz RTUMXVOMYOPCNQ-MAUKXSAKSA-N 1 0 414.472 2.419 20 0 HEADRO COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945566 1078709298 /nfs/dbraw/zinc/70/92/98/1078709298.db2.gz VRRGYEDSMAUYSH-HZPDHXFCSA-N 1 0 410.511 2.385 20 0 HEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000770087141 1078713813 /nfs/dbraw/zinc/71/38/13/1078713813.db2.gz CVRNJSHKFAPHBZ-LPHOPBHVSA-N 1 0 402.539 2.087 20 0 HEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000770087298 1078713857 /nfs/dbraw/zinc/71/38/57/1078713857.db2.gz CVRNJSHKFAPHBZ-QFBILLFUSA-N 1 0 402.539 2.087 20 0 HEADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000745990792 1078721789 /nfs/dbraw/zinc/72/17/89/1078721789.db2.gz JBLUZUMYEBWZLN-JVBGXYRNSA-N 1 0 405.564 2.252 20 0 HEADRO CCOC(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000746011846 1078731118 /nfs/dbraw/zinc/73/11/18/1078731118.db2.gz PLBDTRFNVKCSJO-IBGZPJMESA-N 1 0 403.523 2.128 20 0 HEADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC[N@@H+](C)CC34CCCCC4)C2=O)cc1 ZINC000746013777 1078732987 /nfs/dbraw/zinc/73/29/87/1078732987.db2.gz ITTZMXKZYIHNAC-JOCHJYFZSA-N 1 0 412.534 2.239 20 0 HEADRO O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)C1 ZINC000770185509 1078752272 /nfs/dbraw/zinc/75/22/72/1078752272.db2.gz CSQGIVFHDHVBNM-SFTDATJTSA-N 1 0 415.534 2.358 20 0 HEADRO CCC(CC)(CCO)CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000746044347 1078754004 /nfs/dbraw/zinc/75/40/04/1078754004.db2.gz RNHRGDQRXMUESL-UHFFFAOYSA-N 1 0 404.555 2.072 20 0 HEADRO CO[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)C(C)C ZINC000746047609 1078757291 /nfs/dbraw/zinc/75/72/91/1078757291.db2.gz NPIRCIVSIPZQQG-IBGZPJMESA-N 1 0 408.518 2.082 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000770172100 1078767923 /nfs/dbraw/zinc/76/79/23/1078767923.db2.gz FXMWMIYRFDZPMT-AZUAARDMSA-N 1 0 418.582 2.437 20 0 HEADRO Cc1sc(=O)n(CC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1-c1ccc(F)cc1 ZINC000770174393 1078769812 /nfs/dbraw/zinc/76/98/12/1078769812.db2.gz SWGVYGGRVHYLLI-HNNXBMFYSA-N 1 0 420.554 2.167 20 0 HEADRO Cc1sc2ncn(NC(=O)CC[NH+]3CCN(c4ccccc4)CC3)c(=O)c2c1C ZINC000746106213 1078788017 /nfs/dbraw/zinc/78/80/17/1078788017.db2.gz GZHQOOJNZYSWOV-UHFFFAOYSA-N 1 0 411.531 2.357 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)C3(C(=O)OC)CCCC3)cc2)CC1 ZINC000770244200 1078784105 /nfs/dbraw/zinc/78/41/05/1078784105.db2.gz YROBDZGZKCTAQS-UHFFFAOYSA-N 1 0 402.539 2.185 20 0 HEADRO CC[NH+]1CCN(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CC1 ZINC000746135192 1078802394 /nfs/dbraw/zinc/80/23/94/1078802394.db2.gz QPZCXGMFJVPIGI-GOSISDBHSA-N 1 0 420.554 2.015 20 0 HEADRO COc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1NC(=O)OC(C)(C)C ZINC000746122872 1078796914 /nfs/dbraw/zinc/79/69/14/1078796914.db2.gz AMDAMUUOPSWPOU-CQSZACIVSA-N 1 0 420.510 2.391 20 0 HEADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000746126626 1078799182 /nfs/dbraw/zinc/79/91/82/1078799182.db2.gz LBMAZKZINLQGPI-UHFFFAOYSA-N 1 0 421.501 2.276 20 0 HEADRO COc1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)ccc1NC(=O)OC(C)(C)C ZINC000746131694 1078800859 /nfs/dbraw/zinc/80/08/59/1078800859.db2.gz RUWGUDPHYFKRCY-CQSZACIVSA-N 1 0 420.510 2.391 20 0 HEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000770281266 1078806371 /nfs/dbraw/zinc/80/63/71/1078806371.db2.gz ALOVILAHIMXAPH-LJQANCHMSA-N 1 0 409.552 2.143 20 0 HEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000770284172 1078807699 /nfs/dbraw/zinc/80/76/99/1078807699.db2.gz QUHSUGFZEFSJNP-LJQANCHMSA-N 1 0 409.552 2.143 20 0 HEADRO C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000746171358 1078809716 /nfs/dbraw/zinc/80/97/16/1078809716.db2.gz SRCDYBUEEKGELH-UZUQRXQVSA-N 1 0 409.486 2.457 20 0 HEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 ZINC000746185705 1078812227 /nfs/dbraw/zinc/81/22/27/1078812227.db2.gz XSUDDWPRJQOPJJ-CQSZACIVSA-N 1 0 424.498 2.033 20 0 HEADRO CC[NH+]1CCN(CC(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000746186714 1078812602 /nfs/dbraw/zinc/81/26/02/1078812602.db2.gz UQKSUHZQKPFGCL-RTBURBONSA-N 1 0 408.587 2.405 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000746195391 1078815490 /nfs/dbraw/zinc/81/54/90/1078815490.db2.gz CKFVRPNUPPFMAO-OPAMFIHVSA-N 1 0 418.513 2.077 20 0 HEADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000770333932 1078815952 /nfs/dbraw/zinc/81/59/52/1078815952.db2.gz APTKYNOGZIUYBK-PXNSSMCTSA-N 1 0 403.527 2.131 20 0 HEADRO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000770335082 1078816253 /nfs/dbraw/zinc/81/62/53/1078816253.db2.gz GROXVYIBOZCTKK-QXAKKESOSA-N 1 0 403.502 2.317 20 0 HEADRO COC(=O)[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1cc(F)ccc1F ZINC000746201186 1078817332 /nfs/dbraw/zinc/81/73/32/1078817332.db2.gz CHLZZFXMPUXASL-HXUWFJFHSA-N 1 0 417.456 2.356 20 0 HEADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1=O ZINC000746203382 1078817615 /nfs/dbraw/zinc/81/76/15/1078817615.db2.gz SUWKHGABVHQDFF-INIZCTEOSA-N 1 0 416.522 2.333 20 0 HEADRO Cc1cccc(N2CC[NH+](CCC(=O)NCC3N=NC(=S)N3C3CC3)CC2)c1 ZINC000746227052 1078821428 /nfs/dbraw/zinc/82/14/28/1078821428.db2.gz ZWENLCCFALPSHV-UHFFFAOYSA-N 1 0 400.552 2.039 20 0 HEADRO CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000746228761 1078822268 /nfs/dbraw/zinc/82/22/68/1078822268.db2.gz GJJXCAISAZRTRU-SFHVURJKSA-N 1 0 402.539 2.324 20 0 HEADRO C[NH+](C)CCN1C[C@H](C(=O)N=c2sccn2Cc2ccccc2Cl)CC1=O ZINC000746214856 1078823548 /nfs/dbraw/zinc/82/35/48/1078823548.db2.gz HNRRNHLNAVLCGX-OAHLLOKOSA-N 1 0 406.939 2.089 20 0 HEADRO CN1CC[NH+](CC2(C)CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC000770322116 1078828169 /nfs/dbraw/zinc/82/81/69/1078828169.db2.gz BVDWCCQIMUKVFL-UHFFFAOYSA-N 1 0 423.602 2.009 20 0 HEADRO Cc1n[nH]cc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380100 1078834325 /nfs/dbraw/zinc/83/43/25/1078834325.db2.gz LKUCJDJJBVSSHB-AEFFLSMTSA-N 1 0 405.543 2.446 20 0 HEADRO CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000746282555 1078835006 /nfs/dbraw/zinc/83/50/06/1078835006.db2.gz TXFXPGUBYOODSU-UHFFFAOYSA-N 1 0 404.555 2.421 20 0 HEADRO CN(C[C@H]1CCCCO1)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746505254 1078848521 /nfs/dbraw/zinc/84/85/21/1078848521.db2.gz GAGQMMMQGGUYKQ-DENIHFKCSA-N 1 0 400.523 2.031 20 0 HEADRO C/C(=C/C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1OC(F)F ZINC000766341066 1078853100 /nfs/dbraw/zinc/85/31/00/1078853100.db2.gz RBECLVDEUCJYDB-NHRMXYMRSA-N 1 0 407.461 2.456 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000746314813 1078854296 /nfs/dbraw/zinc/85/42/96/1078854296.db2.gz GZOJPXPOXNXOLG-XUZZJYLKSA-N 1 0 407.514 2.244 20 0 HEADRO CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000746334416 1078862823 /nfs/dbraw/zinc/86/28/23/1078862823.db2.gz YPCAMIBFJPAWFD-SFHVURJKSA-N 1 0 417.554 2.062 20 0 HEADRO C[NH+](C)[C@@H]1Cc2ccccc2N(Cn2nc(C3CC3)n(CCC(N)=O)c2=S)C1 ZINC000766341487 1078857238 /nfs/dbraw/zinc/85/72/38/1078857238.db2.gz UHFGCFPVBNTFSJ-MRXNPFEDSA-N 1 0 400.552 2.117 20 0 HEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000766341428 1078857712 /nfs/dbraw/zinc/85/77/12/1078857712.db2.gz AEILFQVZMIOCAY-OAHLLOKOSA-N 1 0 404.561 2.153 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)CC1=O ZINC000746356117 1078872186 /nfs/dbraw/zinc/87/21/86/1078872186.db2.gz DRZCMYIWAVFAKU-FUHWJXTLSA-N 1 0 414.506 2.223 20 0 HEADRO CCOC(Cn1cc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1)OCC ZINC000746361176 1078874984 /nfs/dbraw/zinc/87/49/84/1078874984.db2.gz WSCHFQPRZHXXDZ-IBGZPJMESA-N 1 0 415.538 2.414 20 0 HEADRO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000746344929 1078867482 /nfs/dbraw/zinc/86/74/82/1078867482.db2.gz PQNMOYYRMZCWMA-INIZCTEOSA-N 1 0 411.543 2.316 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770495366 1078867634 /nfs/dbraw/zinc/86/76/34/1078867634.db2.gz LVAOXAMZEGCJLM-TZIWHRDSSA-N 1 0 415.534 2.405 20 0 HEADRO C[NH+](C)CCOC1CCN(C(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770484206 1078876601 /nfs/dbraw/zinc/87/66/01/1078876601.db2.gz KIIJQOZQQQQVMC-IBGZPJMESA-N 1 0 403.523 2.214 20 0 HEADRO C[NH+](C)CCOC1CCN(C(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770484429 1078877211 /nfs/dbraw/zinc/87/72/11/1078877211.db2.gz KIIJQOZQQQQVMC-LJQANCHMSA-N 1 0 403.523 2.214 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCc2cccc(O)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170015220 1078880585 /nfs/dbraw/zinc/88/05/85/1078880585.db2.gz UMTXAPWKVCUXRA-AEFFLSMTSA-N 1 0 421.563 2.435 20 0 HEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000766346768 1078883142 /nfs/dbraw/zinc/88/31/42/1078883142.db2.gz SXTRSOBKOCOHJD-GOSISDBHSA-N 1 0 416.522 2.412 20 0 HEADRO COc1ccc(C2N=NC(=S)N2CC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000746409719 1078905689 /nfs/dbraw/zinc/90/56/89/1078905689.db2.gz NAVAGQYLNNBWQM-MRXNPFEDSA-N 1 0 415.563 2.433 20 0 HEADRO CN(C(=O)NCc1ccc(-n2cncn2)nc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746412772 1078906751 /nfs/dbraw/zinc/90/67/51/1078906751.db2.gz ALFVIVRBLQZWPN-FQEVSTJZSA-N 1 0 405.506 2.468 20 0 HEADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc2)C1 ZINC000766352479 1078907546 /nfs/dbraw/zinc/90/75/46/1078907546.db2.gz TZLBIDWWQKFZBP-MRXNPFEDSA-N 1 0 418.538 2.498 20 0 HEADRO C[C@H](CNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000766355742 1078910965 /nfs/dbraw/zinc/91/09/65/1078910965.db2.gz QFDLREBUXACOAP-CTNGQTDRSA-N 1 0 416.566 2.035 20 0 HEADRO COc1cccc(C[NH+]2CCC(NC(=O)C3=NN(CC(C)C)C(=O)CC3)CC2)c1 ZINC000766357641 1078913654 /nfs/dbraw/zinc/91/36/54/1078913654.db2.gz WBLABOKXILFGKI-UHFFFAOYSA-N 1 0 400.523 2.410 20 0 HEADRO O=C(NCCNS(=O)(=O)Cc1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065456125 1078915262 /nfs/dbraw/zinc/91/52/62/1078915262.db2.gz REDLVZIECCZXTQ-UHFFFAOYSA-N 1 0 422.595 2.014 20 0 HEADRO C[C@H]1Cc2ccc(Br)cc2CN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000766390979 1078946990 /nfs/dbraw/zinc/94/69/90/1078946990.db2.gz TUAJGNRHMACBEI-ZDUSSCGKSA-N 1 0 421.339 2.169 20 0 HEADRO CC[C@@H]([NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C1CCOCC1 ZINC000766390520 1078947523 /nfs/dbraw/zinc/94/75/23/1078947523.db2.gz XEVCFULUJNEFAZ-RDTXWAMCSA-N 1 0 418.581 2.268 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000766395306 1078950346 /nfs/dbraw/zinc/95/03/46/1078950346.db2.gz NSAQYJVSVZDIBN-HXUWFJFHSA-N 1 0 424.904 2.235 20 0 HEADRO O=C(NCC1(O)CCC2(CC1)OCCO2)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000746440103 1078951014 /nfs/dbraw/zinc/95/10/14/1078951014.db2.gz CBRULHSXQGVYSD-SFHVURJKSA-N 1 0 406.498 2.202 20 0 HEADRO Cc1ccc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(Br)n1 ZINC000766414423 1078971865 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QRKJKNIVGSUIQW-MRXNPFEDSA-N 1 0 404.511 2.312 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2C[C@H]3OCC(=O)N(Cc4ccc(OC)cc4)[C@@H]3C2)CC1 ZINC001168790571 1078987525 /nfs/dbraw/zinc/98/75/25/1078987525.db2.gz NHWJWHBEKXHTPR-RQOSSDEQSA-N 1 0 416.518 2.229 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)C1 ZINC000746455751 1078992891 /nfs/dbraw/zinc/99/28/91/1078992891.db2.gz VHPRHNKDHBXYOV-MOPGFXCFSA-N 1 0 416.566 2.334 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)C1 ZINC000746455754 1078993003 /nfs/dbraw/zinc/99/30/03/1078993003.db2.gz VHPRHNKDHBXYOV-RTBURBONSA-N 1 0 416.566 2.334 20 0 HEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cnc4c(c3)NC(=O)CO4)cc2F)CC1 ZINC000770736975 1078996475 /nfs/dbraw/zinc/99/64/75/1078996475.db2.gz ZLRGEGALHIAWSI-UHFFFAOYSA-N 1 0 413.453 2.334 20 0 HEADRO Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000804278531 1078999088 /nfs/dbraw/zinc/99/90/88/1078999088.db2.gz BDCCYBRSIJEYGB-QFIPXVFZSA-N 1 0 420.557 2.282 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCc3ccc([C@@H](C)O)cc3)c2)CC1 ZINC000770745779 1079002455 /nfs/dbraw/zinc/00/24/55/1079002455.db2.gz OZGSZTZDUSSKQR-QGZVFWFLSA-N 1 0 410.518 2.137 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 ZINC000770747780 1079003540 /nfs/dbraw/zinc/00/35/40/1079003540.db2.gz QFOOLGPAPKIZMI-IBGZPJMESA-N 1 0 418.607 2.185 20 0 HEADRO Cc1cc(Cl)ncc1NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000766437819 1079004197 /nfs/dbraw/zinc/00/41/97/1079004197.db2.gz HKVFWPICAROZAO-UHFFFAOYSA-N 1 0 404.898 2.281 20 0 HEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cc(Cl)ccc1Br ZINC000766456718 1079010017 /nfs/dbraw/zinc/01/00/17/1079010017.db2.gz AEJBLPYULPNOHT-NEPJUHHUSA-N 1 0 416.703 2.020 20 0 HEADRO Cn1ncc(NC(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1C1CC1 ZINC000770778754 1079010662 /nfs/dbraw/zinc/01/06/62/1079010662.db2.gz QODYWYAPLCDZJM-UHFFFAOYSA-N 1 0 422.533 2.407 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(SC(F)F)c1 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1079057445 /nfs/dbraw/zinc/05/74/45/1079057445.db2.gz MBQFOYAKSKZGFX-MSOLQXFVSA-N 1 0 408.587 2.403 20 0 HEADRO C[C@H]1CN(c2nc3ccccc3nc2-n2nnc(-c3cccc(C[NH3+])c3)n2)C[C@H](C)O1 ZINC001168878857 1079066652 /nfs/dbraw/zinc/06/66/52/1079066652.db2.gz GJLYXPXDFKTZRI-GJZGRUSLSA-N 1 0 416.489 2.345 20 0 HEADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000766515603 1079057700 /nfs/dbraw/zinc/05/77/00/1079057700.db2.gz RVAGPIRYBUSHJK-UHFFFAOYSA-N 1 0 417.554 2.157 20 0 HEADRO 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 ZINC001168868104 1079058104 /nfs/dbraw/zinc/05/81/04/1079058104.db2.gz QPWUZXAFQOBXCN-XFQAVAEZSA-N 1 0 403.527 2.247 20 0 HEADRO 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 ZINC001168869437 1079058969 /nfs/dbraw/zinc/05/89/69/1079058969.db2.gz WGZAMMRVRNLYDF-XLSIIYIISA-N 1 0 421.582 2.495 20 0 HEADRO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)CN1C(=O)OC(C)(C)C ZINC001168869043 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O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000771041375 1079099760 /nfs/dbraw/zinc/09/97/60/1079099760.db2.gz WMNZQOXIUSNMQN-NRFANRHFSA-N 1 0 415.534 2.405 20 0 HEADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771041193 1079099917 /nfs/dbraw/zinc/09/99/17/1079099917.db2.gz UMRKJOWSKHQQEW-PMACEKPBSA-N 1 0 403.523 2.307 20 0 HEADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766563487 1079100317 /nfs/dbraw/zinc/10/03/17/1079100317.db2.gz OOSAWCUDVOTUCH-YOEHRIQHSA-N 1 0 420.501 2.196 20 0 HEADRO CC(C)Cn1ncc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1C(C)C ZINC000766571368 1079105616 /nfs/dbraw/zinc/10/56/16/1079105616.db2.gz JSQUAYOVCUUFHU-GOSISDBHSA-N 1 0 419.570 2.361 20 0 HEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC001169040583 1079107913 /nfs/dbraw/zinc/10/79/13/1079107913.db2.gz GNHFYZMBRPFYIL-AWEZNQCLSA-N 1 0 414.333 2.261 20 0 HEADRO Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCC(O)(C[NH+](C)C)CC3)C2)c1 ZINC001169042276 1079108801 /nfs/dbraw/zinc/10/88/01/1079108801.db2.gz YMRBIOQICCSZLV-SFHVURJKSA-N 1 0 402.539 2.154 20 0 HEADRO C[C@@H](Sc1nc(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cs1)C(N)=O ZINC001169051004 1079116630 /nfs/dbraw/zinc/11/66/30/1079116630.db2.gz VUKNEHQWGQTMLR-COXVUDFISA-N 1 0 416.572 2.137 20 0 HEADRO CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000766580084 1079120631 /nfs/dbraw/zinc/12/06/31/1079120631.db2.gz AGUJFOITVTZMRH-PKOBYXMFSA-N 1 0 416.522 2.202 20 0 HEADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC1=O ZINC000746280245 1079128700 /nfs/dbraw/zinc/12/87/00/1079128700.db2.gz NWDNMURDCLQKCF-XLIONFOSSA-N 1 0 407.942 2.022 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000766591013 1079128919 /nfs/dbraw/zinc/12/89/19/1079128919.db2.gz DGUMWCGWKJCKMX-UHFFFAOYSA-N 1 0 416.522 2.471 20 0 HEADRO Cc1c(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)cccc1N1CCOC1=O ZINC000766592267 1079129508 /nfs/dbraw/zinc/12/95/08/1079129508.db2.gz HDYJAYMFQNNFKN-UHFFFAOYSA-N 1 0 416.522 2.471 20 0 HEADRO COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c(C)c1 ZINC000766581586 1079132097 /nfs/dbraw/zinc/13/20/97/1079132097.db2.gz MVASWPRPUZNHEN-UHFFFAOYSA-N 1 0 410.518 2.400 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CC[C@H]2CCCCO2)C[C@H]1C(=O)N1CCSC1 ZINC001170021278 1079139834 /nfs/dbraw/zinc/13/98/34/1079139834.db2.gz YWERNOBCMVDZOS-ZACQAIPSSA-N 1 0 413.584 2.446 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCOC[C@@]3(CN(c4ccc(F)c(F)c4)C(=O)CO3)C1)C2 ZINC001169131208 1079151562 /nfs/dbraw/zinc/15/15/62/1079151562.db2.gz RPGDHWNITLGKBG-UTAOTPEMSA-N 1 0 421.488 2.024 20 0 HEADRO C[NH+](C)C1(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CCCC1 ZINC000771103887 1079153520 /nfs/dbraw/zinc/15/35/20/1079153520.db2.gz OIBKMSYITIFRCX-IBGZPJMESA-N 1 0 424.904 2.237 20 0 HEADRO O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766604089 1079154238 /nfs/dbraw/zinc/15/42/38/1079154238.db2.gz HSARJSJAOHWXKD-UHFFFAOYSA-N 1 0 418.513 2.078 20 0 HEADRO C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCC[NH+]2CCCCCC2)C1=O ZINC000771105217 1079155130 /nfs/dbraw/zinc/15/51/30/1079155130.db2.gz XXKKYGNYCGLVCU-HXUWFJFHSA-N 1 0 424.904 2.238 20 0 HEADRO CC[NH+](CC)[C@H](C)CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771106833 1079155147 /nfs/dbraw/zinc/15/51/47/1079155147.db2.gz PXPFLQQAXJGPSK-BLVKFPJESA-N 1 0 412.893 2.093 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@H](OC)C3(CC)CC)cc2)CC1 ZINC000766605323 1079155312 /nfs/dbraw/zinc/15/53/12/1079155312.db2.gz UMFIMEAOSSQEMJ-UXHICEINSA-N 1 0 416.566 2.477 20 0 HEADRO COC(=O)[C@@](C)(N)Cc1cn(-c2cncc(OCC[NH+]3CCCC3)n2)c2ccccc12 ZINC001169110306 1079157749 /nfs/dbraw/zinc/15/77/49/1079157749.db2.gz DHEVHHRIOMMUQV-QHCPKHFHSA-N 1 0 423.517 2.328 20 0 HEADRO C[C@H]1CCC[N@H+](CCNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771115929 1079160228 /nfs/dbraw/zinc/16/02/28/1079160228.db2.gz SBSMREYHNSVYHV-RNODOKPDSA-N 1 0 424.904 2.094 20 0 HEADRO COC(=O)[C@](C)(N)Cc1cn(-c2ccc(N3CC[NH+](C)CC3)cn2)c2ccccc12 ZINC001169112853 1079160454 /nfs/dbraw/zinc/16/04/54/1079160454.db2.gz MXOUKLNPUSCZQC-HSZRJFAPSA-N 1 0 407.518 2.210 20 0 HEADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000771152891 1079164022 /nfs/dbraw/zinc/16/40/22/1079164022.db2.gz KJEJJTJMJGERJC-UHFFFAOYSA-N 1 0 408.446 2.085 20 0 HEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771153983 1079167035 /nfs/dbraw/zinc/16/70/35/1079167035.db2.gz OAEHHXSFZLITKV-CWTRNNRKSA-N 1 0 412.893 2.093 20 0 HEADRO C[N@@H+]1CCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C(C)(C)C1 ZINC000766611534 1079168663 /nfs/dbraw/zinc/16/86/63/1079168663.db2.gz AWQGRYBGCDKGEE-LFIBNONCSA-N 1 0 405.564 2.252 20 0 HEADRO CC(C)OC(=O)NCc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000771155966 1079168729 /nfs/dbraw/zinc/16/87/29/1079168729.db2.gz AMICVUWELDLFDM-QGZVFWFLSA-N 1 0 405.543 2.469 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc(F)cc(F)c1 ZINC001169160799 1079169895 /nfs/dbraw/zinc/16/98/95/1079169895.db2.gz LKHYSMBESVYZOD-CYBMUJFWSA-N 1 0 405.449 2.061 20 0 HEADRO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1CN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169160518 1079169923 /nfs/dbraw/zinc/16/99/23/1079169923.db2.gz HHNMIAPJOHXOCT-HUTLHSBBSA-N 1 0 407.555 2.486 20 0 HEADRO CCCN(CCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000804308396 1079170575 /nfs/dbraw/zinc/17/05/75/1079170575.db2.gz ADSJSWMAVIVOCP-UHFFFAOYSA-N 1 0 424.586 2.084 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cc(CC[NH3+])c2ccccc21 ZINC001169164933 1079173048 /nfs/dbraw/zinc/17/30/48/1079173048.db2.gz XHZIJWGZZUWMDP-MRXNPFEDSA-N 1 0 422.533 2.321 20 0 HEADRO Cc1ncccc1[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC001169191661 1079179642 /nfs/dbraw/zinc/17/96/42/1079179642.db2.gz MUBVGFOUERDOBW-KXBFYZLASA-N 1 0 424.549 2.437 20 0 HEADRO Cc1ccc(CC[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)s1 ZINC001169166336 1079174227 /nfs/dbraw/zinc/17/42/27/1079174227.db2.gz AZDWGBNLWVSXMR-CQSZACIVSA-N 1 0 403.552 2.195 20 0 HEADRO CN(C[C@](C)(O)C[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1)C(=O)OC(C)(C)C ZINC001169165876 1079174259 /nfs/dbraw/zinc/17/42/59/1079174259.db2.gz ZTRKCGFKLLOGKU-AOMKIAJQSA-N 1 0 418.538 2.137 20 0 HEADRO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000771158996 1079174752 /nfs/dbraw/zinc/17/47/52/1079174752.db2.gz WFXVENBKHAYMAX-MOPGFXCFSA-N 1 0 404.555 2.395 20 0 HEADRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CCOCC2)C1)C1CCCC1 ZINC001169187630 1079177008 /nfs/dbraw/zinc/17/70/08/1079177008.db2.gz JIDYBZHDVAHLFO-ROUUACIJSA-N 1 0 420.554 2.010 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(C(F)(F)F)CC1 ZINC001169192001 1079180342 /nfs/dbraw/zinc/18/03/42/1079180342.db2.gz OTOGSICAOILIGV-CYBMUJFWSA-N 1 0 415.460 2.267 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001169193999 1079180805 /nfs/dbraw/zinc/18/08/05/1079180805.db2.gz UWQGVZSCKXGKRD-AEFFLSMTSA-N 1 0 409.534 2.312 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001169193924 1079181066 /nfs/dbraw/zinc/18/10/66/1079181066.db2.gz XJONENFJZVQLJS-PKOBYXMFSA-N 1 0 409.534 2.482 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001169203118 1079184301 /nfs/dbraw/zinc/18/43/01/1079184301.db2.gz STQIBCXMYAJCBX-QZTJIDSGSA-N 1 0 424.549 2.267 20 0 HEADRO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000771140281 1079189760 /nfs/dbraw/zinc/18/97/60/1079189760.db2.gz KQVXTBSPTQULEK-CQSZACIVSA-N 1 0 406.483 2.398 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(Cc2ccccc2)CC1 ZINC001169170525 1079186143 /nfs/dbraw/zinc/18/61/43/1079186143.db2.gz XGCSRQPDKMCUKX-QGZVFWFLSA-N 1 0 409.534 2.357 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCCc2ncccc21 ZINC001169172716 1079187338 /nfs/dbraw/zinc/18/73/38/1079187338.db2.gz UVTSSQOZOCPJRP-CRAIPNDOSA-N 1 0 410.522 2.055 20 0 HEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771145518 1079193047 /nfs/dbraw/zinc/19/30/47/1079193047.db2.gz OOLQRIGQBWBTLO-RBZFPXEDSA-N 1 0 424.904 2.094 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC001169181604 1079193908 /nfs/dbraw/zinc/19/39/08/1079193908.db2.gz SDLRORRHBZUYLS-KSSFIOAISA-N 1 0 413.497 2.409 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3COc4ccccc4C3)CC2)CC1 ZINC000771203881 1079203060 /nfs/dbraw/zinc/20/30/60/1079203060.db2.gz KIBYCJFBQLYGPB-IBGZPJMESA-N 1 0 400.567 2.438 20 0 HEADRO CCCN(CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000804310496 1079204523 /nfs/dbraw/zinc/20/45/23/1079204523.db2.gz ZIHJDUNPJRSYAV-GOSISDBHSA-N 1 0 424.586 2.227 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)C1 ZINC000771167366 1079205248 /nfs/dbraw/zinc/20/52/48/1079205248.db2.gz GWOPCTMFPVXLGM-INIZCTEOSA-N 1 0 419.526 2.189 20 0 HEADRO CCN1CCC([NH+]2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@@H]3C)CC1 ZINC001169248865 1079211578 /nfs/dbraw/zinc/21/15/78/1079211578.db2.gz CZHZBDVTPUGLIJ-LJQANCHMSA-N 1 0 400.567 2.456 20 0 HEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771180511 1079211752 /nfs/dbraw/zinc/21/17/52/1079211752.db2.gz UINVKNOZKUCDPP-XCLFUZPHSA-N 1 0 424.904 2.046 20 0 HEADRO CCN1CCC([N@@H+]2C[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C[C@]3(C(=O)OC)C2)CC1 ZINC001169250118 1079211933 /nfs/dbraw/zinc/21/19/33/1079211933.db2.gz NXGHVZRPGFKVLU-WEGMGINNSA-N 1 0 421.582 2.449 20 0 HEADRO 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CCO[C@@H]1C[C@@](CO)([NH2+]CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1(C)C ZINC001169301082 1079230135 /nfs/dbraw/zinc/23/01/35/1079230135.db2.gz RSYSWYMGICAXHG-VFNWGFHPSA-N 1 0 423.579 2.210 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[S@@](=O)Cc3ccccc3)CC2)CC1 ZINC000771216206 1079231762 /nfs/dbraw/zinc/23/17/62/1079231762.db2.gz JOOMVVDAUOHDCA-GDLZYMKVSA-N 1 0 420.623 2.135 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H]1C)C(C)C ZINC000771220526 1079234244 /nfs/dbraw/zinc/23/42/44/1079234244.db2.gz XQCVWERBGFSIQU-QGZVFWFLSA-N 1 0 402.539 2.486 20 0 HEADRO CO[C@]1(C(F)(F)F)CCC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001169333920 1079237153 /nfs/dbraw/zinc/23/71/53/1079237153.db2.gz VLMSYJFTOUYNPV-RDTXWAMCSA-N 1 0 402.413 2.354 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCS(=O)(=O)CC2)CO1 ZINC001169375891 1079246136 /nfs/dbraw/zinc/24/61/36/1079246136.db2.gz QNWSECZZHMMSJM-QZTJIDSGSA-N 1 0 413.511 2.016 20 0 HEADRO 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Cn1ncc(-c2noc([C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)c1Br ZINC000771579900 1079379601 /nfs/dbraw/zinc/37/96/01/1079379601.db2.gz XYNXKLHLCOPTRV-KRWDZBQOSA-N 1 0 404.268 2.326 20 0 HEADRO COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C1=O ZINC001169705428 1079380963 /nfs/dbraw/zinc/38/09/63/1079380963.db2.gz SQEKHUVFCGZLOO-VGOFRKELSA-N 1 0 423.554 2.264 20 0 HEADRO CC1CC[NH+](Cc2ccc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000766798922 1079386160 /nfs/dbraw/zinc/38/61/60/1079386160.db2.gz DIIZOEGFSICBOJ-UHFFFAOYSA-N 1 0 418.538 2.498 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(F)nc2)C[C@H]1C(=O)N1CCSC1 ZINC001170028848 1079386809 /nfs/dbraw/zinc/38/68/09/1079386809.db2.gz FMJLXDIIXIIIQM-CABCVRRESA-N 1 0 410.515 2.221 20 0 HEADRO Cc1nc(-c2ccc(OS(=O)(=O)c3c(C)nn(CC[NH+](C)C)c3C)cc2)no1 ZINC000771569987 1079388866 /nfs/dbraw/zinc/38/88/66/1079388866.db2.gz VFRMYKIUCNNMJG-UHFFFAOYSA-N 1 0 405.480 2.188 20 0 HEADRO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771612368 1079396694 /nfs/dbraw/zinc/39/66/94/1079396694.db2.gz MCPKCFNHQLFWGI-INIZCTEOSA-N 1 0 424.469 2.451 20 0 HEADRO O=C(NC1CCC1)[C@H]1C[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C[C@H]2OCC[C@H]21 ZINC001169771415 1079405601 /nfs/dbraw/zinc/40/56/01/1079405601.db2.gz NJDSCJXVAANPFN-MYGLTJDJSA-N 1 0 411.546 2.297 20 0 HEADRO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cn1 ZINC000766817017 1079395814 /nfs/dbraw/zinc/39/58/14/1079395814.db2.gz OPPVSVMAEXNYDN-WOJBJXKFSA-N 1 0 403.502 2.289 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@H](N(C[C@H]2CCC[NH2+]2)S(=O)(=O)C(F)(F)F)C1 ZINC001169783712 1079417612 /nfs/dbraw/zinc/41/76/12/1079417612.db2.gz KYPQWYNMTJJAQF-CVEARBPZSA-N 1 0 419.469 2.195 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)CC1=O ZINC000771642655 1079420277 /nfs/dbraw/zinc/42/02/77/1079420277.db2.gz XZGTWTYDDZRZRR-UIFIKXQLSA-N 1 0 417.525 2.183 20 0 HEADRO CC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C ZINC000771655955 1079426279 /nfs/dbraw/zinc/42/62/79/1079426279.db2.gz TVHHMDQXDSDENC-VGSWGCGISA-N 1 0 424.586 2.225 20 0 HEADRO Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000771658319 1079427975 /nfs/dbraw/zinc/42/79/75/1079427975.db2.gz QZXBXVLVWDMSNI-QGZVFWFLSA-N 1 0 416.595 2.075 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000771658835 1079429996 /nfs/dbraw/zinc/42/99/96/1079429996.db2.gz WMDRTMKOQDLZLO-QUWSGOTNSA-N 1 0 410.518 2.193 20 0 HEADRO CCCc1cc(C[NH3+])nn1[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170030175 1079442099 /nfs/dbraw/zinc/44/20/99/1079442099.db2.gz MNEFCARXTDDMLY-SJORKVTESA-N 1 0 423.583 2.378 20 0 HEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000766856181 1079442644 /nfs/dbraw/zinc/44/26/44/1079442644.db2.gz HRTPSNCOKALEMU-UHFFFAOYSA-N 1 0 403.932 2.264 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)Cc3c(C)[nH]c4nn(C)c(=O)c-4c3C)c2)CC1 ZINC000771638077 1079445142 /nfs/dbraw/zinc/44/51/42/1079445142.db2.gz YRVAFMVVRKNLAY-UHFFFAOYSA-N 1 0 422.533 2.202 20 0 HEADRO COC(=O)[C@H](CCCC[NH2+]C1CCC(S(C)(=O)=O)CC1)NC(=O)c1ccccc1 ZINC001169864690 1079462491 /nfs/dbraw/zinc/46/24/91/1079462491.db2.gz ZVQPEISUHNIZED-ACBHZAAOSA-N 1 0 424.563 2.074 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C3CCC(S(C)(=O)=O)CC3)CCO[C@@H]2C1 ZINC001169876416 1079465852 /nfs/dbraw/zinc/46/58/52/1079465852.db2.gz LIEKXPJYKOQJHE-AQEOSJORSA-N 1 0 416.584 2.300 20 0 HEADRO COC(=O)[C@H](CCCC[NH2+][C@H]1CCCC2(C1)OCCO2)NC(=O)c1ccccc1 ZINC001169916898 1079476953 /nfs/dbraw/zinc/47/69/53/1079476953.db2.gz QPRUKEZPWPJIRQ-OALUTQOASA-N 1 0 404.507 2.404 20 0 HEADRO COC(=O)c1cccc(C(=O)N2CCC([NH2+][C@H]3CCCC4(C3)OCCO4)CC2)c1 ZINC001169922930 1079485237 /nfs/dbraw/zinc/48/52/37/1079485237.db2.gz GPORMTUOTLVPAW-IBGZPJMESA-N 1 0 402.491 2.353 20 0 HEADRO CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000737304921 1075903041 /nfs/dbraw/zinc/90/30/41/1075903041.db2.gz MGZASVIDCFBAJR-KSFYIVLOSA-N 1 0 404.555 2.069 20 0 HEADRO COc1cccc(/C=C(\C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n2nnnc2C)c1 ZINC000737690895 1075919718 /nfs/dbraw/zinc/91/97/18/1075919718.db2.gz FSQBMRTZXVCMEG-XSLGSPGOSA-N 1 0 410.522 2.465 20 0 HEADRO COC(=O)c1cc2c(nc1N(C(C)C)[C@@H]1CCCC3(C1)OCCO3)CC[NH2+]CC2 ZINC001169946257 1079489097 /nfs/dbraw/zinc/48/90/97/1079489097.db2.gz YBSBRSMCKAOIRK-QGZVFWFLSA-N 1 0 403.523 2.457 20 0 HEADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000737741239 1075921044 /nfs/dbraw/zinc/92/10/44/1075921044.db2.gz FUZDWZHHEBRXOP-HYBUGGRVSA-N 1 0 422.529 2.405 20 0 HEADRO C[C@H](CN/C=C1/c2ccccc2C(=O)N(c2ccccn2)C1=O)C[NH+]1CCOCC1 ZINC000737753263 1075922597 /nfs/dbraw/zinc/92/25/97/1075922597.db2.gz TUDOAOFUBCYWEN-MNTXUITRSA-N 1 0 406.486 2.167 20 0 HEADRO Cc1nc(N(CC2CC2)[C@@H]2CCCC3(C2)OCCO3)nc2c1COC[C@]21CC[NH2+]C1 ZINC001169947806 1079489738 /nfs/dbraw/zinc/48/97/38/1079489738.db2.gz GNQSXRIZAVPPQH-XMSQKQJNSA-N 1 0 414.550 2.448 20 0 HEADRO C[NH+](C)CCN1CCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000737778319 1075928115 /nfs/dbraw/zinc/92/81/15/1075928115.db2.gz JUXXNHBIDVGORK-QFIPXVFZSA-N 1 0 424.545 2.360 20 0 HEADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cnn(-c2ccc(F)cc2)n1 ZINC000737792500 1075929541 /nfs/dbraw/zinc/92/95/41/1075929541.db2.gz OFAZGZNKOGCPAV-UHFFFAOYSA-N 1 0 408.481 2.349 20 0 HEADRO O=C(Nc1ccncc1)c1nc2c(s1)CC[N@@H+]([C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001169948942 1079490317 /nfs/dbraw/zinc/49/03/17/1079490317.db2.gz LJUPDVCQSXEKAL-MRXNPFEDSA-N 1 0 414.531 2.299 20 0 HEADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CC[N@@H+]([C@H]1CCCC3(C1)OCCO3)C2 ZINC001169950444 1079490798 /nfs/dbraw/zinc/49/07/98/1079490798.db2.gz SJOCYRSXUZALHW-FPOVZHCZSA-N 1 0 403.498 2.234 20 0 HEADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)s1 ZINC000766889497 1079492673 /nfs/dbraw/zinc/49/26/73/1079492673.db2.gz OMCBUKKHNZSAAJ-OAQYLSRUSA-N 1 0 417.579 2.292 20 0 HEADRO COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169957220 1079493918 /nfs/dbraw/zinc/49/39/18/1079493918.db2.gz CWZFGNBGINUZDW-SJORKVTESA-N 1 0 412.527 2.450 20 0 HEADRO NC(=O)CCn1c(-c2ccco2)nn(CN2CCC(C[NH+]3CCCC3)CC2)c1=S ZINC000738071431 1075957935 /nfs/dbraw/zinc/95/79/35/1075957935.db2.gz NFIUYSRAOGGYFP-UHFFFAOYSA-N 1 0 418.567 2.315 20 0 HEADRO COc1ccc(C[C@]2(C)NC(=O)N(CN3CCC[C@H]3C[NH+]3CCCCC3)C2=O)cc1 ZINC000738097296 1075960388 /nfs/dbraw/zinc/96/03/88/1075960388.db2.gz CAFLDXRWADXZIR-CVDCTZTESA-N 1 0 414.550 2.456 20 0 HEADRO C[NH+](C)[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738143161 1075962928 /nfs/dbraw/zinc/96/29/28/1075962928.db2.gz DJSDHLJBSTWNKR-CRAIPNDOSA-N 1 0 409.328 2.200 20 0 HEADRO COc1ccc(OC)c(-n2nnn(CN3CCC[C@H]3C[NH+]3CCCC3)c2=S)c1 ZINC000738103995 1075963796 /nfs/dbraw/zinc/96/37/96/1075963796.db2.gz JGOUQXKPMHUELS-HNNXBMFYSA-N 1 0 404.540 2.333 20 0 HEADRO CC(C)(C)[C@H]1CCc2c(sc(=O)n2CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000738160569 1075970785 /nfs/dbraw/zinc/97/07/85/1075970785.db2.gz JYRJVECPDSFMDD-KRWDZBQOSA-N 1 0 420.623 2.258 20 0 HEADRO COc1ccccc1-c1nn(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(=S)o1 ZINC000738161721 1075970897 /nfs/dbraw/zinc/97/08/97/1075970897.db2.gz SZYCSQHUIYCCAF-UHFFFAOYSA-N 1 0 417.535 2.079 20 0 HEADRO CCCCCC[C@@]1(C)NC(=O)N(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000738171689 1075972870 /nfs/dbraw/zinc/97/28/70/1075972870.db2.gz RJMSYKPBTGCNDH-SIKLNZKXSA-N 1 0 407.603 2.327 20 0 HEADRO CCCCCC[C@]1(C)NC(=O)N(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000738171692 1075972943 /nfs/dbraw/zinc/97/29/43/1075972943.db2.gz RJMSYKPBTGCNDH-UGKGYDQZSA-N 1 0 407.603 2.327 20 0 HEADRO CCn1c(=S)n(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nc1-c1ccncc1 ZINC000738209483 1075973978 /nfs/dbraw/zinc/97/39/78/1075973978.db2.gz BURQUQJNKWGOJY-GOSISDBHSA-N 1 0 401.584 2.165 20 0 HEADRO COc1ccc(-c2nn(CN3CCN([C@@H]4CCC[N@H+](C)C4)CC3)c(=S)n2C)cc1 ZINC000738210622 1075974079 /nfs/dbraw/zinc/97/40/79/1075974079.db2.gz ZAYOQKKGTRPLQA-GOSISDBHSA-N 1 0 416.595 2.296 20 0 HEADRO C[NH+](C)C[C@H]1CCN(CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738224085 1075975625 /nfs/dbraw/zinc/97/56/25/1075975625.db2.gz LAFRIQVCEJXZIY-ACJLOTCBSA-N 1 0 409.328 2.057 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(Cn2ncn(C3CC3)c2=S)CC1 ZINC000738282739 1075978459 /nfs/dbraw/zinc/97/84/59/1075978459.db2.gz AXKLDLUHKWYEMU-UHFFFAOYSA-N 1 0 402.568 2.469 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000738284629 1075978946 /nfs/dbraw/zinc/97/89/46/1075978946.db2.gz MSJVHGRBZVODGG-UHFFFAOYSA-N 1 0 423.517 2.223 20 0 HEADRO CC(C)[C@H]1C[N@H+](C)CCN1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000738285260 1075979194 /nfs/dbraw/zinc/97/91/94/1075979194.db2.gz IYLGRYGVGWKVDV-APWZRJJASA-N 1 0 423.355 2.446 20 0 HEADRO O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000738549653 1076001367 /nfs/dbraw/zinc/00/13/67/1076001367.db2.gz UCIXQDLFMRPQBU-LDADJPATSA-N 1 0 405.564 2.444 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000738474184 1076004071 /nfs/dbraw/zinc/00/40/71/1076004071.db2.gz AJBRCAJOOKUAHO-UHFFFAOYSA-N 1 0 417.554 2.265 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000738477265 1076004629 /nfs/dbraw/zinc/00/46/29/1076004629.db2.gz IPEZQWHXQSJORH-QGZVFWFLSA-N 1 0 404.511 2.208 20 0 HEADRO CCN(C(=O)NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771778416 1079499135 /nfs/dbraw/zinc/49/91/35/1079499135.db2.gz PQPIYSAELBFSPI-VQTJNVASSA-N 1 0 403.523 2.215 20 0 HEADRO CC[C@H](C)[N@H+](C)CCn1c(N2CC(C)(OC)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001545679399 1076015539 /nfs/dbraw/zinc/01/55/39/1076015539.db2.gz SYFZRINGEOZPBV-UWJYYQICSA-N 1 0 409.575 2.274 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NCc1ccc(COC(C)C)cc1)CC2 ZINC000771779986 1079501922 /nfs/dbraw/zinc/50/19/22/1079501922.db2.gz HQWMVKMEUQEPIP-UHFFFAOYSA-N 1 0 417.506 2.012 20 0 HEADRO CON(C)C(=O)c1ccc(NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000738941133 1076027091 /nfs/dbraw/zinc/02/70/91/1076027091.db2.gz KHTATGKTQDGNNQ-QZTJIDSGSA-N 1 0 417.554 2.342 20 0 HEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)C1 ZINC000739006023 1076030318 /nfs/dbraw/zinc/03/03/18/1076030318.db2.gz OTCFVKMLSKVWCP-ZWKOTPCHSA-N 1 0 412.575 2.480 20 0 HEADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)c(OCC[NH+](C)C)c1 ZINC000739083585 1076030780 /nfs/dbraw/zinc/03/07/80/1076030780.db2.gz DETXWAJNZPDUMF-FOIQADDNSA-N 1 0 417.481 2.251 20 0 HEADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)CC1 ZINC000739064307 1076034259 /nfs/dbraw/zinc/03/42/59/1076034259.db2.gz ARLLMKJJQFNPGX-GOSISDBHSA-N 1 0 402.539 2.088 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000739067753 1076035238 /nfs/dbraw/zinc/03/52/38/1076035238.db2.gz MEECHDBXCDGGRW-YJBOKZPZSA-N 1 0 416.547 2.331 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000739066921 1076036255 /nfs/dbraw/zinc/03/62/55/1076036255.db2.gz JLOYIGYPANCYHS-LAUBAEHRSA-N 1 0 416.566 2.477 20 0 HEADRO CC[C@H]1COCCN1C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739091278 1076043922 /nfs/dbraw/zinc/04/39/22/1076043922.db2.gz VQWMNMDQOOYEJD-IBGZPJMESA-N 1 0 402.539 2.041 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000739116752 1076045548 /nfs/dbraw/zinc/04/55/48/1076045548.db2.gz AVOHRRWGEAPHIP-SFHVURJKSA-N 1 0 414.550 2.327 20 0 HEADRO COC(=O)Nc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1F ZINC000739117688 1076045773 /nfs/dbraw/zinc/04/57/73/1076045773.db2.gz FBVFDNFDMIROEW-OAHLLOKOSA-N 1 0 406.458 2.419 20 0 HEADRO C[C@@H]1CSCCN1C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000739120468 1076046724 /nfs/dbraw/zinc/04/67/24/1076046724.db2.gz JUJXDKWEVHGLCA-CQSZACIVSA-N 1 0 408.543 2.259 20 0 HEADRO CCCC(O)(CCC)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000739119800 1076046729 /nfs/dbraw/zinc/04/67/29/1076046729.db2.gz UWFZPUXKBVKOFC-UHFFFAOYSA-N 1 0 404.555 2.215 20 0 HEADRO CN1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739709569 1076074590 /nfs/dbraw/zinc/07/45/90/1076074590.db2.gz WECQUAIEHUPDDV-RBUKOAKNSA-N 1 0 408.587 2.355 20 0 HEADRO O=C(c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739787924 1076075265 /nfs/dbraw/zinc/07/52/65/1076075265.db2.gz LIDXREKVFODZKF-INIZCTEOSA-N 1 0 409.527 2.168 20 0 HEADRO CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1F ZINC000737380053 1076150205 /nfs/dbraw/zinc/15/02/05/1076150205.db2.gz LVIKGWTVWWXGMX-UHFFFAOYSA-N 1 0 406.483 2.337 20 0 HEADRO CC[N@@H+]1C[C@@H](C)N(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C[C@@H]1C ZINC000766250684 1076150782 /nfs/dbraw/zinc/15/07/82/1076150782.db2.gz AKLFUIGKWSHBRJ-DLBZAZTESA-N 1 0 404.530 2.091 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCn4c(nnc4C(F)(F)F)C3)cc2)CC1 ZINC000740431507 1076168282 /nfs/dbraw/zinc/16/82/82/1076168282.db2.gz LCXKSQZCFRKUDW-UHFFFAOYSA-N 1 0 423.443 2.487 20 0 HEADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000740480622 1076169344 /nfs/dbraw/zinc/16/93/44/1076169344.db2.gz BHIXVBDTEMJBFP-MOPGFXCFSA-N 1 0 420.941 2.388 20 0 HEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)CC2)C1 ZINC000740486771 1076170454 /nfs/dbraw/zinc/17/04/54/1076170454.db2.gz ZUYIIBRQFDXOOZ-CTWPCTMYSA-N 1 0 423.602 2.244 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1F)C[NH+]1CCN(C)CC1 ZINC000740493160 1076172131 /nfs/dbraw/zinc/17/21/31/1076172131.db2.gz AQBMBTXMJFDCKB-KRWDZBQOSA-N 1 0 412.509 2.431 20 0 HEADRO O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000740498148 1076175776 /nfs/dbraw/zinc/17/57/76/1076175776.db2.gz HRTJUHMZCPDEOA-QGZVFWFLSA-N 1 0 405.545 2.085 20 0 HEADRO CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000740513775 1076199948 /nfs/dbraw/zinc/19/99/48/1076199948.db2.gz 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420.554 2.044 20 0 HEADRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740882911 1076283849 /nfs/dbraw/zinc/28/38/49/1076283849.db2.gz NXQJCHFLQUACQD-WMLDXEAASA-N 1 0 404.511 2.349 20 0 HEADRO COCCC[NH+]1CCC(NC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000740917689 1076304383 /nfs/dbraw/zinc/30/43/83/1076304383.db2.gz QNYZVIOZJCSIOP-FUHWJXTLSA-N 1 0 412.575 2.432 20 0 HEADRO Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)n12 ZINC000741010394 1076327652 /nfs/dbraw/zinc/32/76/52/1076327652.db2.gz GAZUSIXEUCVBAC-LJQANCHMSA-N 1 0 411.506 2.443 20 0 HEADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@@](C)(O)c2ccsc2)c2ccccc2)CC1 ZINC000741083938 1076348808 /nfs/dbraw/zinc/34/88/08/1076348808.db2.gz DBAPXTUXXMJDAT-TZIWHRDSSA-N 1 0 402.564 2.244 20 0 HEADRO C[NH+]1CCC(O)(CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)CC1 ZINC000741086749 1076349804 /nfs/dbraw/zinc/34/98/04/1076349804.db2.gz PILRVJHITYIWKF-KRWDZBQOSA-N 1 0 412.575 2.216 20 0 HEADRO 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CCCC[NH+]1CCC(NC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000742071033 1076734916 /nfs/dbraw/zinc/73/49/16/1076734916.db2.gz IAQKJTSTBZONFV-UHFFFAOYSA-N 1 0 420.579 2.228 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000742074499 1076735678 /nfs/dbraw/zinc/73/56/78/1076735678.db2.gz KJJDIUFPYBTBLZ-RTBURBONSA-N 1 0 405.926 2.453 20 0 HEADRO O=C(c1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000742118103 1076748245 /nfs/dbraw/zinc/74/82/45/1076748245.db2.gz KAIWSYJFKWODOE-HNNXBMFYSA-N 1 0 409.527 2.214 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)CC1=O ZINC000742141704 1076754458 /nfs/dbraw/zinc/75/44/58/1076754458.db2.gz SOTINPFCHMDNMI-JAXLGGSGSA-N 1 0 412.578 2.413 20 0 HEADRO O=c1ccn(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c2c(Br)cccc12 ZINC000742161712 1076772338 /nfs/dbraw/zinc/77/23/38/1076772338.db2.gz NCJRTYWZRHPMOS-HNNXBMFYSA-N 1 0 406.324 2.376 20 0 HEADRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 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CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2noc(-c3ccsc3)n2)CC1=O ZINC000785656466 1080177926 /nfs/dbraw/zinc/17/79/26/1080177926.db2.gz UHNKTSWOCOLEFW-HUUCEWRRSA-N 1 0 404.492 2.174 20 0 HEADRO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000767862018 1080184616 /nfs/dbraw/zinc/18/46/16/1080184616.db2.gz YGCLKGBWFYPZNO-GOSISDBHSA-N 1 0 410.514 2.489 20 0 HEADRO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000767862019 1080185904 /nfs/dbraw/zinc/18/59/04/1080185904.db2.gz YGCLKGBWFYPZNO-SFHVURJKSA-N 1 0 410.514 2.489 20 0 HEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000767842979 1080195229 /nfs/dbraw/zinc/19/52/29/1080195229.db2.gz CZJKODPXCKLBJM-OOKSDGMUSA-N 1 0 407.555 2.439 20 0 HEADRO C[C@@H]1CCC[N@H+](CCNC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000767843464 1080195474 /nfs/dbraw/zinc/19/54/74/1080195474.db2.gz MFUSBILRSKZOKE-CSNJMZFVSA-N 1 0 407.555 2.297 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000767885953 1080202607 /nfs/dbraw/zinc/20/26/07/1080202607.db2.gz WOGIWPLVAQMOFQ-HTAPYJJXSA-N 1 0 404.555 2.179 20 0 HEADRO CCOC(=O)C1=C(COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)NC(=O)N[C@@H]1c1ccccc1 ZINC000785736331 1080208926 /nfs/dbraw/zinc/20/89/26/1080208926.db2.gz XYGHDNTUSMOSEF-QEEYODRMSA-N 1 0 415.490 2.274 20 0 HEADRO COC(=O)COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000767873525 1080212397 /nfs/dbraw/zinc/21/23/97/1080212397.db2.gz DMMCPXKZBRALCO-RYUDHWBXSA-N 1 0 405.476 2.077 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CC[C@H]3OCC[C@H]3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049628 1080214075 /nfs/dbraw/zinc/21/40/75/1080214075.db2.gz DEPHOBHCXDRPHH-VVLHAWIVSA-N 1 0 411.568 2.008 20 0 HEADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000767924495 1080217907 /nfs/dbraw/zinc/21/79/07/1080217907.db2.gz DIGOKNAXWFDFRW-BKUYFWCQSA-N 1 0 421.480 2.295 20 0 HEADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000767905748 1080222813 /nfs/dbraw/zinc/22/28/13/1080222813.db2.gz IGHCXGBQAGFXAU-VPKVUBIPSA-N 1 0 416.522 2.394 20 0 HEADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000767907681 1080223488 /nfs/dbraw/zinc/22/34/88/1080223488.db2.gz RHIPRKZRHXIRHK-QXATTWAWSA-N 1 0 416.522 2.394 20 0 HEADRO CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000767929471 1080228073 /nfs/dbraw/zinc/22/80/73/1080228073.db2.gz HSPNCZDELCNAER-JOCHJYFZSA-N 1 0 405.539 2.390 20 0 HEADRO O=C(NCc1ccc(C(=O)N2CCCC2)cc1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000767932671 1080229549 /nfs/dbraw/zinc/22/95/49/1080229549.db2.gz KREVTWDLFCBVPK-SFTDATJTSA-N 1 0 414.550 2.100 20 0 HEADRO O=C(NCc1ccc(N2CCCCC2=O)cc1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000767936629 1080231032 /nfs/dbraw/zinc/23/10/32/1080231032.db2.gz BKEFNTFHECYBAV-LEWJYISDSA-N 1 0 414.550 2.381 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000767940519 1080234071 /nfs/dbraw/zinc/23/40/71/1080234071.db2.gz ROSHGGQTWOEKNT-RBUKOAKNSA-N 1 0 424.586 2.453 20 0 HEADRO COCCC[NH+]1CCC(NC(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000767939759 1080234511 /nfs/dbraw/zinc/23/45/11/1080234511.db2.gz POBKKSJWRYBDMM-SFHVURJKSA-N 1 0 413.559 2.020 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000767944743 1080236297 /nfs/dbraw/zinc/23/62/97/1080236297.db2.gz JDNHZQHWJLQAGD-KZNAEPCWSA-N 1 0 410.559 2.063 20 0 HEADRO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000767943973 1080236694 /nfs/dbraw/zinc/23/66/94/1080236694.db2.gz SNIWQTPZORVZJU-JHVJFLLYSA-N 1 0 414.550 2.334 20 0 HEADRO O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc1 ZINC000785805613 1080251029 /nfs/dbraw/zinc/25/10/29/1080251029.db2.gz PQRAVIYLVLCGKA-LSDHHAIUSA-N 1 0 424.473 2.436 20 0 HEADRO CCN(CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)OC(C)(C)C ZINC000767962246 1080254013 /nfs/dbraw/zinc/25/40/13/1080254013.db2.gz MVLAURDIGUDZLH-QZTJIDSGSA-N 1 0 412.575 2.311 20 0 HEADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000768001901 1080270306 /nfs/dbraw/zinc/27/03/06/1080270306.db2.gz VVBXLYNJXOSATM-VXGBXAGGSA-N 1 0 401.692 2.179 20 0 HEADRO O=c1c(Cl)c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cnn1-c1nc2ccccc2[nH]1 ZINC000785802631 1080270458 /nfs/dbraw/zinc/27/04/58/1080270458.db2.gz WCTGHWPZYXLYEN-OLZOCXBDSA-N 1 0 400.870 2.037 20 0 HEADRO COC(=O)/C=C/c1ccc(OCCN2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1 ZINC000785875844 1080272109 /nfs/dbraw/zinc/27/21/09/1080272109.db2.gz BJFSDBOKPIZMRU-AIADIJKESA-N 1 0 401.507 2.329 20 0 HEADRO COC(=O)/C=C\c1ccc(OCCN2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1 ZINC000785875850 1080272173 /nfs/dbraw/zinc/27/21/73/1080272173.db2.gz BJFSDBOKPIZMRU-QBUQCISBSA-N 1 0 401.507 2.329 20 0 HEADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@]3(O)CCc4ccccc4C3)c2)CC1 ZINC000785881560 1080274192 /nfs/dbraw/zinc/27/41/92/1080274192.db2.gz MHITVFLJVRWTKQ-XMMPIXPASA-N 1 0 407.514 2.242 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)[NH+]1CCCCC1 ZINC000768037691 1080278811 /nfs/dbraw/zinc/27/88/11/1080278811.db2.gz KNYAQSDFBYDOMV-JTQLQIEISA-N 1 0 403.708 2.427 20 0 HEADRO CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1=O ZINC000785853688 1080282196 /nfs/dbraw/zinc/28/21/96/1080282196.db2.gz AJPWUPFVFRSFLC-VGSWGCGISA-N 1 0 422.529 2.299 20 0 HEADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000768025490 1080291514 /nfs/dbraw/zinc/29/15/14/1080291514.db2.gz PDESRQDBRHDWSV-UHFFFAOYSA-N 1 0 403.708 2.236 20 0 HEADRO COc1ccc([C@@H](CNC(=O)COC(=O)[C@@H](O)C(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000785909655 1080306397 /nfs/dbraw/zinc/30/63/97/1080306397.db2.gz TUYXHNQTHKWUJN-UYAOXDASSA-N 1 0 406.523 2.289 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(CCO)C3CCC3)cc2Cl)CC1 ZINC000785999181 1080357895 /nfs/dbraw/zinc/35/78/95/1080357895.db2.gz IPAMYZIPOAHKNB-UHFFFAOYSA-N 1 0 422.957 2.184 20 0 HEADRO CC(C)(C)OC(=O)NCc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccn1 ZINC000768126480 1080360561 /nfs/dbraw/zinc/36/05/61/1080360561.db2.gz VQJLRAQTYNOYRS-IBGZPJMESA-N 1 0 418.538 2.480 20 0 HEADRO C[C@H]1CC(NC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)C[C@H](C)O1 ZINC000768128460 1080362609 /nfs/dbraw/zinc/36/26/09/1080362609.db2.gz ZNAINOYVCBUJQZ-GJZGRUSLSA-N 1 0 420.529 2.367 20 0 HEADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C(F)(F)C3(O)CCCC3)cc2)CC1 ZINC000786038122 1080382228 /nfs/dbraw/zinc/38/22/28/1080382228.db2.gz OFAHGFMSTVZUKU-UHFFFAOYSA-N 1 0 409.477 2.305 20 0 HEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768178639 1080388535 /nfs/dbraw/zinc/38/85/35/1080388535.db2.gz VMQVKNZQEMHPDC-XWDNEUNKSA-N 1 0 407.555 2.247 20 0 HEADRO CN1CC[N@H+](CCCNC(=O)N[C@H]2CCCC3(C2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000768201941 1080391289 /nfs/dbraw/zinc/39/12/89/1080391289.db2.gz MHPIVDVNDSQENJ-LEWJYISDSA-N 1 0 416.566 2.350 20 0 HEADRO COc1ccc(NC(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1OC ZINC000786099148 1080394847 /nfs/dbraw/zinc/39/48/47/1080394847.db2.gz HBLORZRUELQBBZ-UHFFFAOYSA-N 1 0 406.479 2.221 20 0 HEADRO O=C(NCC1CC[NH+]([C@@H]2CCN(C3CCOCC3)C2=O)CC1)OCc1ccccc1 ZINC000786106711 1080399382 /nfs/dbraw/zinc/39/93/82/1080399382.db2.gz AKBZPAKZRKKJRD-OAQYLSRUSA-N 1 0 415.534 2.405 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cnc(Cl)c(Br)c3)CC[C@@H]21 ZINC000768196015 1080412384 /nfs/dbraw/zinc/41/23/84/1080412384.db2.gz AFAOMENQOBFGAO-MFKMUULPSA-N 1 0 415.719 2.379 20 0 HEADRO C[C@@H](Cc1ccccc1)NC(=S)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000786077477 1080412613 /nfs/dbraw/zinc/41/26/13/1080412613.db2.gz ZBBKNOUCQQFDPK-IBGZPJMESA-N 1 0 412.607 2.474 20 0 HEADRO CC(=O)N1CCC(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 ZINC000768215202 1080419690 /nfs/dbraw/zinc/41/96/90/1080419690.db2.gz AIBMDGOZICGAFO-UWJYYQICSA-N 1 0 403.523 2.261 20 0 HEADRO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768220219 1080424593 /nfs/dbraw/zinc/42/45/93/1080424593.db2.gz OSOBILGBEXIHQN-TYPHKJRUSA-N 1 0 405.539 2.113 20 0 HEADRO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(OC(=O)C3CC3)c(OC)c2)CC1 ZINC000768251181 1080441471 /nfs/dbraw/zinc/44/14/71/1080441471.db2.gz JYNSHBJAZKLAGK-UHFFFAOYSA-N 1 0 417.550 2.387 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)CC2)c1 ZINC000786189696 1080465951 /nfs/dbraw/zinc/46/59/51/1080465951.db2.gz ZVUOQKDRUYOIRR-RDJZCZTQSA-N 1 0 404.511 2.384 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)n2)CC1 ZINC000786194446 1080467707 /nfs/dbraw/zinc/46/77/07/1080467707.db2.gz JHRMEFNWJPVEBU-UHFFFAOYSA-N 1 0 403.870 2.167 20 0 HEADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000768297009 1080468059 /nfs/dbraw/zinc/46/80/59/1080468059.db2.gz VZLYRPHNQNVRJG-LURJTMIESA-N 1 0 410.372 2.050 20 0 HEADRO C[C@H](CNC(=O)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)[NH+]1CCCCC1 ZINC000786197186 1080468248 /nfs/dbraw/zinc/46/82/48/1080468248.db2.gz MNRJKJBDCFSTTE-MRXNPFEDSA-N 1 0 412.490 2.139 20 0 HEADRO Cc1cc(N2CCN(C(=O)C[NH2+]C(C)(C)C3CCOCC3)CC2)nc(C(C)C)n1 ZINC000786169197 1080477428 /nfs/dbraw/zinc/47/74/28/1080477428.db2.gz JDGJKFQIXUSLHH-UHFFFAOYSA-N 1 0 403.571 2.352 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000768317201 1080505747 /nfs/dbraw/zinc/50/57/47/1080505747.db2.gz GVXVRMWYKWLNSG-RYRKJORJSA-N 1 0 412.575 2.031 20 0 HEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000768319631 1080507143 /nfs/dbraw/zinc/50/71/43/1080507143.db2.gz UEZZJWRGLFSJCX-UHFFFAOYSA-N 1 0 421.339 2.264 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)n1 ZINC000786241688 1080516217 /nfs/dbraw/zinc/51/62/17/1080516217.db2.gz DPJBXRZJCVTPKN-UHFFFAOYSA-N 1 0 419.551 2.185 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cc(N4CCNC4=O)ccc3C)CC2)c1 ZINC000786279664 1080526452 /nfs/dbraw/zinc/52/64/52/1080526452.db2.gz VDALWWILCXRYHH-UHFFFAOYSA-N 1 0 410.478 2.282 20 0 HEADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N[C@@H]1CCCC2(C1)OCCO2 ZINC000768388180 1080537201 /nfs/dbraw/zinc/53/72/01/1080537201.db2.gz OLUPWMIIDBMFKB-LJQANCHMSA-N 1 0 403.523 2.128 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000768394936 1080540288 /nfs/dbraw/zinc/54/02/88/1080540288.db2.gz QGJWWANVVBVWIH-MJGOQNOKSA-N 1 0 424.586 2.129 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000786297349 1080542010 /nfs/dbraw/zinc/54/20/10/1080542010.db2.gz RNQBRFKZENPEOX-UHFFFAOYSA-N 1 0 414.554 2.205 20 0 HEADRO C[C@H](CNC(=O)C(=O)NCc1ccc(OCC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000786306885 1080547441 /nfs/dbraw/zinc/54/74/41/1080547441.db2.gz DXLXDRIBTJTJKF-CQSZACIVSA-N 1 0 401.429 2.235 20 0 HEADRO Cc1cccc(-c2nnc(SCC(=O)NC[C@H](c3ccccc3)[NH+](C)C)n2N)c1 ZINC000768442762 1080562795 /nfs/dbraw/zinc/56/27/95/1080562795.db2.gz OJRKXXGVLJDQRV-GOSISDBHSA-N 1 0 410.547 2.479 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000786325883 1080562881 /nfs/dbraw/zinc/56/28/81/1080562881.db2.gz OXMUEZSFKYUWRL-UHFFFAOYSA-N 1 0 415.534 2.454 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000786327441 1080563660 /nfs/dbraw/zinc/56/36/60/1080563660.db2.gz UFSJLANYTMPDHO-GOSISDBHSA-N 1 0 424.586 2.129 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000786328130 1080564070 /nfs/dbraw/zinc/56/40/70/1080564070.db2.gz ZIONQJIAZQQAKQ-WMZOPIPTSA-N 1 0 424.586 2.127 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC3CC[NH+](CC(C)C)CC3)C2)cc1 ZINC000786335771 1080566841 /nfs/dbraw/zinc/56/68/41/1080566841.db2.gz XJSNZDRIFNFGMF-HXUWFJFHSA-N 1 0 400.567 2.317 20 0 HEADRO CO[C@@H]1CC[N@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001170056992 1080570898 /nfs/dbraw/zinc/57/08/98/1080570898.db2.gz ULNWCTZTAPWRQD-TWMKSMIVSA-N 1 0 413.584 2.397 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000786386799 1080581058 /nfs/dbraw/zinc/58/10/58/1080581058.db2.gz CQXRLRUOJQRKMX-FXAWDEMLSA-N 1 0 413.518 2.206 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000786397842 1080585938 /nfs/dbraw/zinc/58/59/38/1080585938.db2.gz PDJRWRQRGBCBIN-PZJWPPBQSA-N 1 0 409.486 2.292 20 0 HEADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)C[N@@H+]1C1CC1 ZINC000786409319 1080590095 /nfs/dbraw/zinc/59/00/95/1080590095.db2.gz MCCOASGPHBMNKJ-JKSUJKDBSA-N 1 0 422.570 2.072 20 0 HEADRO CCc1ccc([C@]2(CC)NC(=O)N(CN3CC[C@@H](C[NH+]4CCOCC4)C3)C2=O)cc1 ZINC000768497335 1080593283 /nfs/dbraw/zinc/59/32/83/1080593283.db2.gz UMKGCSSSOWYCHE-CVDCTZTESA-N 1 0 414.550 2.018 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)C1 ZINC000768500602 1080595328 /nfs/dbraw/zinc/59/53/28/1080595328.db2.gz QQQUXIJNAIEBDH-OGWOLHLISA-N 1 0 410.440 2.370 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000786427264 1080596705 /nfs/dbraw/zinc/59/67/05/1080596705.db2.gz QMSAAFORUPVKOG-UHFFFAOYSA-N 1 0 411.502 2.451 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)OC)cc2)CC1 ZINC000786444230 1080605528 /nfs/dbraw/zinc/60/55/28/1080605528.db2.gz KWSAYRQLMMZQGW-RBDMOPTHSA-N 1 0 414.550 2.041 20 0 HEADRO CCc1ccc([C@@]2(CC)NC(=O)N(CC(=O)NC3CC[NH+](C4CC4)CC3)C2=O)cc1 ZINC000768517397 1080621688 /nfs/dbraw/zinc/62/16/88/1080621688.db2.gz VSEFUIKICGAAOM-HSZRJFAPSA-N 1 0 412.534 2.149 20 0 HEADRO CCOC(=O)C1(C(=O)O[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000768571449 1080638111 /nfs/dbraw/zinc/63/81/11/1080638111.db2.gz XRNSWUPOOWIINS-AEFFLSMTSA-N 1 0 402.491 2.042 20 0 HEADRO CCOC(=O)C1(C(=O)O[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000768571451 1080638236 /nfs/dbraw/zinc/63/82/36/1080638236.db2.gz XRNSWUPOOWIINS-FUHWJXTLSA-N 1 0 402.491 2.042 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)Cc3n[nH]c4ccccc34)cc2)CC1 ZINC000746584926 1080640009 /nfs/dbraw/zinc/64/00/09/1080640009.db2.gz CMNQCZMIJNEOSY-UHFFFAOYSA-N 1 0 421.501 2.429 20 0 HEADRO Cn1nnc2c1CCN(C1CC(C)(C)N(O)C(C)(C)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001169994183 1080682658 /nfs/dbraw/zinc/68/26/58/1080682658.db2.gz AQWYTPLFDSBMKG-IBGZPJMESA-N 1 0 420.602 2.238 20 0 HEADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cccnc1N1CCOCC1 ZINC000768677204 1080685758 /nfs/dbraw/zinc/68/57/58/1080685758.db2.gz VIQGFFUFWZDYEB-MJGOQNOKSA-N 1 0 420.554 2.422 20 0 HEADRO CC(C)[C@@H](CNC(=O)C(=O)N(CCO)Cc1cccnc1Cl)[NH+]1CCCCCC1 ZINC000786625974 1080719702 /nfs/dbraw/zinc/71/97/02/1080719702.db2.gz IBXCGFRKNHDVLM-GOSISDBHSA-N 1 0 424.973 2.073 20 0 HEADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000768716484 1080732024 /nfs/dbraw/zinc/73/20/24/1080732024.db2.gz WXMKFMFMKUSFBC-UHFFFAOYSA-N 1 0 405.502 2.444 20 0 HEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCN(c2ncccc2F)CC1)CC(C)C ZINC000786650958 1080734677 /nfs/dbraw/zinc/73/46/77/1080734677.db2.gz QRQDCMHUNZYYOL-SFHVURJKSA-N 1 0 421.561 2.132 20 0 HEADRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000768690443 1080748863 /nfs/dbraw/zinc/74/88/63/1080748863.db2.gz MFZLKNOZLOJLCH-HKUYNNGSSA-N 1 0 420.554 2.422 20 0 HEADRO CC(C)COC(=O)N1CCCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000786703463 1080763155 /nfs/dbraw/zinc/76/31/55/1080763155.db2.gz SZMGPBVNQVFLPY-UHFFFAOYSA-N 1 0 406.531 2.482 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000786719298 1080771089 /nfs/dbraw/zinc/77/10/89/1080771089.db2.gz OOBUCEHNRWYGKV-ROUUACIJSA-N 1 0 419.551 2.193 20 0 HEADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCCNC(=O)OC(C)(C)C)C1 ZINC000786736115 1080784560 /nfs/dbraw/zinc/78/45/60/1080784560.db2.gz CBGQAXFOXLWABS-ROUUACIJSA-N 1 0 424.586 2.130 20 0 HEADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CC[NH+](C1CC(C)(C)N(O)C(C)(C)C1)CC2 ZINC001169995425 1080792027 /nfs/dbraw/zinc/79/20/27/1080792027.db2.gz NFGPXANTVPDLHG-INIZCTEOSA-N 1 0 419.570 2.417 20 0 HEADRO C[N@H+](CCON=C(N)[C@H]1COCCN1C(=O)OC(C)(C)C)Cc1ccc(F)cc1 ZINC000786748361 1080792419 /nfs/dbraw/zinc/79/24/19/1080792419.db2.gz FBOUMEYFVJZUAY-QGZVFWFLSA-N 1 0 410.490 2.392 20 0 HEADRO Cn1cccc1C(=O)N[C@H]1C[N@@H+](C2CC(C)(C)N(O)C(C)(C)C2)[C@@H]2CCCO[C@@H]21 ZINC001169995645 1080795613 /nfs/dbraw/zinc/79/56/13/1080795613.db2.gz BFPNMVQOOFXEBT-YQVWRLOYSA-N 1 0 404.555 2.398 20 0 HEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000786758733 1080802592 /nfs/dbraw/zinc/80/25/92/1080802592.db2.gz STSLWOMUFIQFTJ-YADHBBJMSA-N 1 0 424.545 2.059 20 0 HEADRO CC(C)(C)c1ccc(CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000786773706 1080814989 /nfs/dbraw/zinc/81/49/89/1080814989.db2.gz PGQDGUQBWLINKT-NRFANRHFSA-N 1 0 415.578 2.402 20 0 HEADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000786774895 1080816510 /nfs/dbraw/zinc/81/65/10/1080816510.db2.gz BCKIINZPUKNOPA-WBVHZDCISA-N 1 0 411.543 2.023 20 0 HEADRO C[C@@H](OC(=O)CC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000786826128 1080826691 /nfs/dbraw/zinc/82/66/91/1080826691.db2.gz QDBUFGUHFOGKHA-YLJYHZDGSA-N 1 0 424.497 2.323 20 0 HEADRO C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786827199 1080827321 /nfs/dbraw/zinc/82/73/21/1080827321.db2.gz CJTYHBNJTFSBNX-RBUKOAKNSA-N 1 0 408.550 2.473 20 0 HEADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786800908 1080834339 /nfs/dbraw/zinc/83/43/39/1080834339.db2.gz PUBZSVLJBSSJDW-OAHLLOKOSA-N 1 0 402.520 2.317 20 0 HEADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786803478 1080834965 /nfs/dbraw/zinc/83/49/65/1080834965.db2.gz FSWKDXSWCPNSKM-CQSZACIVSA-N 1 0 422.938 2.499 20 0 HEADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000786803426 1080835050 /nfs/dbraw/zinc/83/50/50/1080835050.db2.gz DPRFJSAJVMXIHD-MRXNPFEDSA-N 1 0 402.520 2.154 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(COC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000786822060 1080845385 /nfs/dbraw/zinc/84/53/85/1080845385.db2.gz SJUQQNSWNGRPJN-UHFFFAOYSA-N 1 0 402.516 2.429 20 0 HEADRO O=C(CC[N@@H+]1CCc2ccccc2C1)OCC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000786825407 1080846356 /nfs/dbraw/zinc/84/63/56/1080846356.db2.gz FAZYHESPUMFOCQ-INIZCTEOSA-N 1 0 412.408 2.100 20 0 HEADRO CC(C)Oc1cccc(CNC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000786844803 1080847801 /nfs/dbraw/zinc/84/78/01/1080847801.db2.gz HDPCIDRKBZJXBZ-UHFFFAOYSA-N 1 0 405.539 2.049 20 0 HEADRO CC(C)(C)OC(=O)N1CC(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000768920312 1080858154 /nfs/dbraw/zinc/85/81/54/1080858154.db2.gz WJXYUOGWTLOCEZ-PMACEKPBSA-N 1 0 417.550 2.243 20 0 HEADRO Cn1cc(-c2cc(CON=C(N)c3ccccc3C[NH+]3CCC(O)CC3)on2)cn1 ZINC000768921612 1080858597 /nfs/dbraw/zinc/85/85/97/1080858597.db2.gz AZXOGDZJYKONHN-UHFFFAOYSA-N 1 0 410.478 2.079 20 0 HEADRO Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1N1C(=O)CCC1=O ZINC000768992311 1080878625 /nfs/dbraw/zinc/87/86/25/1080878625.db2.gz VWYFLRXSFYXJAS-MOPGFXCFSA-N 1 0 414.506 2.148 20 0 HEADRO O=C(NCCS(=O)(=O)CC1CC1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768995668 1080879824 /nfs/dbraw/zinc/87/98/24/1080879824.db2.gz KRCGCEIQBTWILC-UHFFFAOYSA-N 1 0 409.552 2.498 20 0 HEADRO COC(=O)NCc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000768993918 1080879915 /nfs/dbraw/zinc/87/99/15/1080879915.db2.gz DGIOOHFFKVNVPL-RBUKOAKNSA-N 1 0 404.511 2.432 20 0 HEADRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786911533 1080880411 /nfs/dbraw/zinc/88/04/11/1080880411.db2.gz ALNVLUDWXMVRAI-PGRDOPGGSA-N 1 0 422.529 2.337 20 0 HEADRO NC(=O)c1c2c(sc1NC(=O)COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CCC2 ZINC000786880055 1080884363 /nfs/dbraw/zinc/88/43/63/1080884363.db2.gz JQUOSPKXWAYAEU-AWEZNQCLSA-N 1 0 405.520 2.224 20 0 HEADRO COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786881502 1080884726 /nfs/dbraw/zinc/88/47/26/1080884726.db2.gz GAIXCLPHQGMOCX-SFHVURJKSA-N 1 0 417.506 2.009 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCc4cc(F)ccc4C3)cc2)CC1 ZINC000769027021 1080889740 /nfs/dbraw/zinc/88/97/40/1080889740.db2.gz ZOZJSNNKKYNWLA-UHFFFAOYSA-N 1 0 410.493 2.491 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)[nH]n2)C1 ZINC000786993122 1080903115 /nfs/dbraw/zinc/90/31/15/1080903115.db2.gz LBVCZBZINLCHHR-DAYGRLMNSA-N 1 0 403.527 2.491 20 0 HEADRO O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000769097552 1080907128 /nfs/dbraw/zinc/90/71/28/1080907128.db2.gz JJZIXITYICKTSW-BPQIPLTHSA-N 1 0 415.456 2.019 20 0 HEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000769120639 1080942067 /nfs/dbraw/zinc/94/20/67/1080942067.db2.gz CWGSDRDJBAPHPI-ROUUACIJSA-N 1 0 410.603 2.460 20 0 HEADRO Cc1nccn1CCCN(C)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746627983 1080957198 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COC(=O)c1cc2ccncc2nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001615 722253989 /nfs/dbraw/zinc/25/39/89/722253989.db2.gz CZJMANCAHDIWHV-UHFFFAOYSA-N 1 0 424.505 2.101 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)Oc1cnc(Cl)cn1)CCC2 ZINC001165004913 722258142 /nfs/dbraw/zinc/25/81/42/722258142.db2.gz XDQZNQLKUPWLAV-UHFFFAOYSA-N 1 0 416.860 2.240 20 0 HEADRO C[C@H](CNC(=O)c1cc(S(N)(=O)=O)c(Br)s1)[N@@H+]1CCC[C@H](C)C1 ZINC000745435887 1078477748 /nfs/dbraw/zinc/47/77/48/1078477748.db2.gz SISPXFYLNVXPCZ-VHSXEESVSA-N 1 0 424.386 2.008 20 0 HEADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cnc1Cl ZINC000769672527 1078514034 /nfs/dbraw/zinc/51/40/34/1078514034.db2.gz LUSFWYCECITBKB-AEFFLSMTSA-N 1 0 409.939 2.205 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000769735036 1078553251 /nfs/dbraw/zinc/55/32/51/1078553251.db2.gz FZCZDZZPXBLZOV-HKUYNNGSSA-N 1 0 404.511 2.362 20 0 HEADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000745626618 1078563565 /nfs/dbraw/zinc/56/35/65/1078563565.db2.gz MXZNZGXMGQUFME-LJQANCHMSA-N 1 0 410.518 2.101 20 0 HEADRO Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000745594800 1078557424 /nfs/dbraw/zinc/55/74/24/1078557424.db2.gz XTTZCDMAKIVYPX-FQEVSTJZSA-N 1 0 415.534 2.018 20 0 HEADRO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)C(=O)C1 ZINC000769787941 1078566763 /nfs/dbraw/zinc/56/67/63/1078566763.db2.gz FYQBSLBXVAOTKN-HKUYNNGSSA-N 1 0 411.543 2.073 20 0 HEADRO CC[C@@H](C(=O)O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC1=O ZINC000745691865 1078587346 /nfs/dbraw/zinc/58/73/46/1078587346.db2.gz PIIWAKFAOJRKRX-PXNSSMCTSA-N 1 0 415.534 2.100 20 0 HEADRO CC[C@H](C(=O)OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)N1CCCC1=O ZINC000745699598 1078592728 /nfs/dbraw/zinc/59/27/28/1078592728.db2.gz WRLULAMSJFJJTP-HXUWFJFHSA-N 1 0 415.534 2.020 20 0 HEADRO C[NH+](C)C1(CNC(=O)c2nccn3c(Br)cnc23)Cc2ccccc2C1 ZINC000769920265 1078635398 /nfs/dbraw/zinc/63/53/98/1078635398.db2.gz XMHKALWMYXFNCZ-UHFFFAOYSA-N 1 0 414.307 2.321 20 0 HEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000769971090 1078654208 /nfs/dbraw/zinc/65/42/08/1078654208.db2.gz BPEBFEQHMROORM-ARGWCVDVSA-N 1 0 424.904 2.235 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C(=O)N1c1ccccc1 ZINC000745825875 1078665363 /nfs/dbraw/zinc/66/53/63/1078665363.db2.gz ULLNGGHOWOJODC-NSISKUIASA-N 1 0 400.523 2.123 20 0 HEADRO CCc1cnc(N2CCN(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)s1 ZINC000745825854 1078665373 /nfs/dbraw/zinc/66/53/73/1078665373.db2.gz UBGXGKAJMIYBNM-QGZVFWFLSA-N 1 0 407.584 2.181 20 0 HEADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000745828267 1078665923 /nfs/dbraw/zinc/66/59/23/1078665923.db2.gz CDHJRBNQHQJSHU-HXUWFJFHSA-N 1 0 400.571 2.412 20 0 HEADRO CCC[NH+]1CCC(NC(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000745865645 1078667427 /nfs/dbraw/zinc/66/74/27/1078667427.db2.gz MVKSXZNSMYAOKR-UHFFFAOYSA-N 1 0 411.591 2.055 20 0 HEADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)NC1CCC2(CC1)OCCO2 ZINC000769994623 1078678013 /nfs/dbraw/zinc/67/80/13/1078678013.db2.gz RPUFWOKONAOXQQ-UHFFFAOYSA-N 1 0 401.507 2.065 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000745862927 1078678298 /nfs/dbraw/zinc/67/82/98/1078678298.db2.gz QGSSEEXQMRIKKC-DENIHFKCSA-N 1 0 402.583 2.415 20 0 HEADRO CN1CCC(CNC(=O)NC[C@](C)(O)c2ccc(F)cc2F)([NH+]2CCCCC2)CC1 ZINC000745878927 1078682761 /nfs/dbraw/zinc/68/27/61/1078682761.db2.gz VDCLYPFGTKILAK-NRFANRHFSA-N 1 0 424.536 2.422 20 0 HEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)[C@H](C)C1 ZINC000770021927 1078691848 /nfs/dbraw/zinc/69/18/48/1078691848.db2.gz YYPXXROKTBBZQC-FYQPLNBISA-N 1 0 421.586 2.012 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1C ZINC000745937147 1078703865 /nfs/dbraw/zinc/70/38/65/1078703865.db2.gz DBAGRIGFHBFAJI-QGZVFWFLSA-N 1 0 405.520 2.002 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)n(C)c1 ZINC000770050324 1078704845 /nfs/dbraw/zinc/70/48/45/1078704845.db2.gz QESCQSWTVHCVIA-UZLBHIALSA-N 1 0 420.579 2.477 20 0 HEADRO C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000770050425 1078705329 /nfs/dbraw/zinc/70/53/29/1078705329.db2.gz REYPAQKPFIXDFB-LIRRHRJNSA-N 1 0 407.511 2.497 20 0 HEADRO CCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)cc2S1(=O)=O ZINC000770053156 1078706739 /nfs/dbraw/zinc/70/67/39/1078706739.db2.gz YTYFLWCJXGVVPE-AUUYWEPGSA-N 1 0 415.515 2.272 20 0 HEADRO C[NH+](C)[C@H]1Cc2ccccc2N(CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)C1 ZINC000766337907 1078725382 /nfs/dbraw/zinc/72/53/82/1078725382.db2.gz GURKOTZMACEKPC-GBXCKJPGSA-N 1 0 404.514 2.416 20 0 HEADRO Cc1cc(C)c(N2C[C@@H](C(=O)N[C@H](C)CC[NH+]3CCN(C)CC3)CC2=O)c(C)c1 ZINC000770172175 1078768546 /nfs/dbraw/zinc/76/85/46/1078768546.db2.gz GRASXZOMXJNLPD-UXHICEINSA-N 1 0 400.567 2.107 20 0 HEADRO Cc1ccc(N2C[C@H](C(=O)N[C@H](C)CC[NH+]3CCN(C)CC3)CCC2=O)cc1C ZINC000770171499 1078767254 /nfs/dbraw/zinc/76/72/54/1078767254.db2.gz BIYRFONXHSZMLO-WOJBJXKFSA-N 1 0 400.567 2.189 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cn(C(C)(C)C)nc1Br ZINC000770173141 1078769268 /nfs/dbraw/zinc/76/92/68/1078769268.db2.gz LTXOMZNJSSEFEV-ZDUSSCGKSA-N 1 0 400.365 2.156 20 0 HEADRO O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000770228601 1078775695 /nfs/dbraw/zinc/77/56/95/1078775695.db2.gz NYBVDNCLARZTLE-NRFANRHFSA-N 1 0 415.534 2.216 20 0 HEADRO Cc1ccnc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)c1 ZINC001170013473 1078782322 /nfs/dbraw/zinc/78/23/22/1078782322.db2.gz HTQKYBMNQSXHPK-SJORKVTESA-N 1 0 406.552 2.391 20 0 HEADRO COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000746113452 1078792477 /nfs/dbraw/zinc/79/24/77/1078792477.db2.gz KCTPHFKKXLDREO-INIZCTEOSA-N 1 0 424.501 2.296 20 0 HEADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1cccc(N2CCOC2=O)c1 ZINC000746133777 1078801471 /nfs/dbraw/zinc/80/14/71/1078801471.db2.gz ZOOVJYMKKSWRBB-UHFFFAOYSA-N 1 0 408.502 2.472 20 0 HEADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](CC(C)C)C3CCCC3)C2=O)cc1 ZINC000746154757 1078807790 /nfs/dbraw/zinc/80/77/90/1078807790.db2.gz SRYYGIQZCNMKMD-JOCHJYFZSA-N 1 0 416.522 2.394 20 0 HEADRO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000746171730 1078809339 /nfs/dbraw/zinc/80/93/39/1078809339.db2.gz YZSIFRQJTULEMY-GOSISDBHSA-N 1 0 423.517 2.428 20 0 HEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000746168068 1078814542 /nfs/dbraw/zinc/81/45/42/1078814542.db2.gz RRJULPUODLXHOU-MJGOQNOKSA-N 1 0 404.555 2.395 20 0 HEADRO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000770252653 1078813055 /nfs/dbraw/zinc/81/30/55/1078813055.db2.gz MUGJZBLRXVMZMS-GXSJLCMTSA-N 1 0 423.304 2.136 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCC[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000770290607 1078816775 /nfs/dbraw/zinc/81/67/75/1078816775.db2.gz YLGWFGRABBUCFJ-GHTZIAJQSA-N 1 0 416.566 2.215 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170013863 1078826233 /nfs/dbraw/zinc/82/62/33/1078826233.db2.gz LPKUSFAHYOJIQO-IHSNIMORSA-N 1 0 413.584 2.181 20 0 HEADRO CC(C)(C)OC(=O)NCC1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000746188804 1078819562 /nfs/dbraw/zinc/81/95/62/1078819562.db2.gz HQQQNVHHUDERLK-HSZRJFAPSA-N 1 0 417.550 2.387 20 0 HEADRO CN(C)c1cccc(CN(C)C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000770295811 1078820002 /nfs/dbraw/zinc/82/00/02/1078820002.db2.gz AYOSMHQHXFWDPE-UHFFFAOYSA-N 1 0 409.534 2.102 20 0 HEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000746191530 1078820823 /nfs/dbraw/zinc/82/08/23/1078820823.db2.gz IXRSVDVCVXEZMA-AWEZNQCLSA-N 1 0 401.960 2.346 20 0 HEADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)c2)CC1 ZINC000746229771 1078822288 /nfs/dbraw/zinc/82/22/88/1078822288.db2.gz ZEDQXLRXNOOQGK-LJQANCHMSA-N 1 0 402.539 2.173 20 0 HEADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)Cc2cc(-c3ccccc3)on2)cc1 ZINC000746230164 1078822617 /nfs/dbraw/zinc/82/26/17/1078822617.db2.gz TWKKBTFKCLYVHQ-UHFFFAOYSA-N 1 0 406.486 2.492 20 0 HEADRO C[NH+](C)CCN1C[C@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1=O ZINC000746213217 1078823520 /nfs/dbraw/zinc/82/35/20/1078823520.db2.gz NYXHXICTTYHRBG-MRXNPFEDSA-N 1 0 413.449 2.394 20 0 HEADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CC1=O ZINC000746261724 1078827634 /nfs/dbraw/zinc/82/76/34/1078827634.db2.gz YDOXLWVECGMFJG-CYBMUJFWSA-N 1 0 403.870 2.271 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000770323637 1078828539 /nfs/dbraw/zinc/82/85/39/1078828539.db2.gz HHQNTYNDUSEQMT-UHFFFAOYSA-N 1 0 424.586 2.484 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000770361943 1078830527 /nfs/dbraw/zinc/83/05/27/1078830527.db2.gz LVSXLNBRBIAOOV-IRXDYDNUSA-N 1 0 403.527 2.029 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000746267618 1078838834 /nfs/dbraw/zinc/83/88/34/1078838834.db2.gz QQFJHRUWQLAGMU-PGRDOPGGSA-N 1 0 403.523 2.139 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000770380461 1078834605 /nfs/dbraw/zinc/83/46/05/1078834605.db2.gz IADSXNAVKLDVKS-WMZOPIPTSA-N 1 0 403.527 2.204 20 0 HEADRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc(Cl)c1OCC(N)=O ZINC000770389484 1078840536 /nfs/dbraw/zinc/84/05/36/1078840536.db2.gz YRPNANPJCQSFNK-DOTOQJQBSA-N 1 0 422.913 2.034 20 0 HEADRO O=C(/C=C(\Br)C(=O)OCCN1CCCCC1)OCC[NH+]1CCCCC1 ZINC000770419063 1078845798 /nfs/dbraw/zinc/84/57/98/1078845798.db2.gz PWAMKFJUGJLTIK-NXVVXOECSA-N 1 0 417.344 2.323 20 0 HEADRO C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000746311365 1078851409 /nfs/dbraw/zinc/85/14/09/1078851409.db2.gz OSYFKOJLSRHMFG-LEWJYISDSA-N 1 0 406.546 2.449 20 0 HEADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000746334873 1078862818 /nfs/dbraw/zinc/86/28/18/1078862818.db2.gz RVCYXQSREGWKGW-FQEVSTJZSA-N 1 0 422.451 2.160 20 0 HEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000746317311 1078856624 /nfs/dbraw/zinc/85/66/24/1078856624.db2.gz VECDSBUETSPKKS-HNNXBMFYSA-N 1 0 424.498 2.129 20 0 HEADRO CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000746333289 1078863213 /nfs/dbraw/zinc/86/32/13/1078863213.db2.gz HLDGXPRSXWCGQC-UHFFFAOYSA-N 1 0 412.527 2.336 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770511847 1078872099 /nfs/dbraw/zinc/87/20/99/1078872099.db2.gz FVPWLSLAMJGJNT-PMACEKPBSA-N 1 0 415.534 2.262 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3I)nc2)CC1 ZINC000770553756 1078880254 /nfs/dbraw/zinc/88/02/54/1078880254.db2.gz YMDKSBDAILYSRN-UHFFFAOYSA-N 1 0 423.258 2.085 20 0 HEADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2ccc(Br)nc2)cc1 ZINC000766347080 1078881447 /nfs/dbraw/zinc/88/14/47/1078881447.db2.gz BUVPJJXWGOVXMG-UHFFFAOYSA-N 1 0 421.295 2.039 20 0 HEADRO Nc1cc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)ccc1OC(F)(F)F ZINC000770518463 1078882083 /nfs/dbraw/zinc/88/20/83/1078882083.db2.gz UCPONWOWHBRSGZ-UHFFFAOYSA-N 1 0 401.385 2.067 20 0 HEADRO CCOc1ccccc1N1C(=O)C(=O)N(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)C1=O ZINC000746382944 1078886702 /nfs/dbraw/zinc/88/67/02/1078886702.db2.gz PXGZVEBUAKWLEZ-QGZVFWFLSA-N 1 0 414.506 2.002 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000770539795 1078889823 /nfs/dbraw/zinc/88/98/23/1078889823.db2.gz PWZUUGRWQISJLB-GOSISDBHSA-N 1 0 404.511 2.143 20 0 HEADRO CN1CC[NH+](CCCCNC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766350873 1078899907 /nfs/dbraw/zinc/89/99/07/1078899907.db2.gz KZLADOIPKYPPJL-NRFANRHFSA-N 1 0 416.566 2.179 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000105271425 1078897591 /nfs/dbraw/zinc/89/75/91/1078897591.db2.gz HDHOGUGDQFMKID-HNNXBMFYSA-N 1 0 422.576 2.472 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000770592144 1078900051 /nfs/dbraw/zinc/90/00/51/1078900051.db2.gz BGSZWXYWIPRDDW-DYVFJYSZSA-N 1 0 403.354 2.352 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770602123 1078903174 /nfs/dbraw/zinc/90/31/74/1078903174.db2.gz QSABTRLCZHZLLY-FPOVZHCZSA-N 1 0 416.566 2.035 20 0 HEADRO C[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000746416145 1078908055 /nfs/dbraw/zinc/90/80/55/1078908055.db2.gz ULVUNZYPIQPCOG-WBVHZDCISA-N 1 0 408.568 2.492 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000770605495 1078913115 /nfs/dbraw/zinc/91/31/15/1078913115.db2.gz LSOIGMHPZKPREX-ROUUACIJSA-N 1 0 411.591 2.101 20 0 HEADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3=NN(CC(C)C)C(=O)CC3)cc2)CC1 ZINC000766357587 1078913686 /nfs/dbraw/zinc/91/36/86/1078913686.db2.gz ZAJRBAVBQQLZIN-UHFFFAOYSA-N 1 0 413.566 2.075 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000770607282 1078913750 /nfs/dbraw/zinc/91/37/50/1078913750.db2.gz PLXDQNXMQZURRF-KZNAEPCWSA-N 1 0 411.591 2.052 20 0 HEADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CCO1 ZINC000770623616 1078920485 /nfs/dbraw/zinc/92/04/85/1078920485.db2.gz VRDAKYOCSFXEPW-MAUKXSAKSA-N 1 0 410.559 2.184 20 0 HEADRO CO[C@H](C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C(C)(C)C ZINC000766370883 1078937025 /nfs/dbraw/zinc/93/70/25/1078937025.db2.gz XLRYRCLXZPQHPR-XJKSGUPXSA-N 1 0 406.570 2.124 20 0 HEADRO CCC[C@@H]1CN(Cn2ncn(-c3ccc(OC)nc3)c2=S)CC[N@@H+]1CCOC ZINC000766383395 1078933863 /nfs/dbraw/zinc/93/38/63/1078933863.db2.gz YNMXPNQIURDUIX-QGZVFWFLSA-N 1 0 406.556 2.197 20 0 HEADRO CCOC(=O)c1nn(C)cc1CNc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000770648709 1078937966 /nfs/dbraw/zinc/93/79/66/1078937966.db2.gz VIZXCSYDKDVMFG-UHFFFAOYSA-N 1 0 401.511 2.359 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)c1ccc(F)cc1 ZINC000766374622 1078942340 /nfs/dbraw/zinc/94/23/40/1078942340.db2.gz MLMHNVAGHIFFHA-CQSZACIVSA-N 1 0 409.259 2.341 20 0 HEADRO O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000746437170 1078959417 /nfs/dbraw/zinc/95/94/17/1078959417.db2.gz UQEYYEFHUMVBTH-UHFFFAOYSA-N 1 0 401.433 2.297 20 0 HEADRO C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(C)(C)C[NH+](C)C ZINC000770692419 1078960352 /nfs/dbraw/zinc/96/03/52/1078960352.db2.gz KNOGVKNFVRYRMX-SECBINFHSA-N 1 0 402.991 2.060 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CCCOC1 ZINC000770701732 1078969997 /nfs/dbraw/zinc/96/99/97/1078969997.db2.gz SGOPGGBXQGUMOK-KRWDZBQOSA-N 1 0 414.384 2.222 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)CCCOC1 ZINC000770702845 1078971392 /nfs/dbraw/zinc/97/13/92/1078971392.db2.gz ALJVCYJJXGHHSP-GCJKJVERSA-N 1 0 420.506 2.069 20 0 HEADRO Cc1ccc(OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(Br)n1 ZINC000766414425 1078971984 /nfs/dbraw/zinc/97/19/84/1078971984.db2.gz PYBIRIYPROSPOW-CQSZACIVSA-N 1 0 400.317 2.004 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)CCCOC1 ZINC000770710661 1078978899 /nfs/dbraw/zinc/97/88/99/1078978899.db2.gz TUDNBICLPWOKOG-PGRDOPGGSA-N 1 0 420.506 2.069 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N(C)Cc2cc(Br)cs2)CCCOC1 ZINC000770712364 1078979700 /nfs/dbraw/zinc/97/97/00/1078979700.db2.gz YVSKWZBCUAVQSK-INIZCTEOSA-N 1 0 419.341 2.171 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)N(C)Cc2cc(Br)cs2)CCCOC1 ZINC000770712366 1078979761 /nfs/dbraw/zinc/97/97/61/1078979761.db2.gz YVSKWZBCUAVQSK-MRXNPFEDSA-N 1 0 419.341 2.171 20 0 HEADRO COC(=O)Nc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1F ZINC000746454630 1078980088 /nfs/dbraw/zinc/98/00/88/1078980088.db2.gz OZNIDSXVCNAFCC-AWEZNQCLSA-N 1 0 408.474 2.427 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3COc4ccccc4C3)c2)CC1 ZINC000770712886 1078980399 /nfs/dbraw/zinc/98/03/99/1078980399.db2.gz QUSHWDRKBXVOTD-GOSISDBHSA-N 1 0 422.529 2.135 20 0 HEADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000746455147 1078984824 /nfs/dbraw/zinc/98/48/24/1078984824.db2.gz VBKQQTVBDKUCBC-IUODEOHRSA-N 1 0 407.312 2.258 20 0 HEADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000770764640 1078985490 /nfs/dbraw/zinc/98/54/90/1078985490.db2.gz AOCSYIOOKVKTGE-UHFFFAOYSA-N 1 0 411.955 2.484 20 0 HEADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(-n2cc(Br)cn2)nn1 ZINC000770768523 1078987126 /nfs/dbraw/zinc/98/71/26/1078987126.db2.gz XMLPKNLNTVHTCF-UHFFFAOYSA-N 1 0 405.300 2.029 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)C1 ZINC000746448354 1078990315 /nfs/dbraw/zinc/99/03/15/1078990315.db2.gz BTNLLJUYKMVKMZ-OALUTQOASA-N 1 0 416.566 2.334 20 0 HEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000746449988 1078991326 /nfs/dbraw/zinc/99/13/26/1078991326.db2.gz OUKOIKPZZQOONP-INIZCTEOSA-N 1 0 401.429 2.181 20 0 HEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC001168791238 1078992243 /nfs/dbraw/zinc/99/22/43/1078992243.db2.gz GBASPMIFFSCFKG-GDBMZVCRSA-N 1 0 409.741 2.203 20 0 HEADRO COc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1F ZINC000770737189 1078996585 /nfs/dbraw/zinc/99/65/85/1078996585.db2.gz AHIUOEHHFMBWRR-UHFFFAOYSA-N 1 0 415.465 2.046 20 0 HEADRO O=C(CC[NH+]1CCN(Cc2cccc(O)c2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000746458018 1078997849 /nfs/dbraw/zinc/99/78/49/1078997849.db2.gz BISZXDPZDUVHSL-UHFFFAOYSA-N 1 0 424.545 2.375 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)C[C@H](O)c3ccccc3)c2)CC1 ZINC000770749243 1079004215 /nfs/dbraw/zinc/00/42/15/1079004215.db2.gz LXLBECNRIGQXFJ-AVRDEDQJSA-N 1 0 424.545 2.395 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000770784111 1079013640 /nfs/dbraw/zinc/01/36/40/1079013640.db2.gz FWSKIFORKJFETK-DEOSSOPVSA-N 1 0 420.513 2.035 20 0 HEADRO Cc1cc(NC(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)n(C2CC[NH+](C)CC2)n1 ZINC000766447265 1079015036 /nfs/dbraw/zinc/01/50/36/1079015036.db2.gz ILHJHWDMDLTERA-OALUTQOASA-N 1 0 415.542 2.312 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C1 ZINC000746469314 1079018720 /nfs/dbraw/zinc/01/87/20/1079018720.db2.gz BCUSEBWBESGSMI-XJKSGUPXSA-N 1 0 403.495 2.284 20 0 HEADRO CCOC(=O)C1=C(C[NH2+][C@@](C)(CO)C2CCCCC2)NC(=O)N[C@@H]1c1ccco1 ZINC000746469828 1079019142 /nfs/dbraw/zinc/01/91/42/1079019142.db2.gz DVAIFKNSZGFOGK-NQIIRXRSSA-N 1 0 405.495 2.372 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1SC(F)F ZINC000770801427 1079023344 /nfs/dbraw/zinc/02/33/44/1079023344.db2.gz NAPRNFUMFPCJSW-ZDUSSCGKSA-N 1 0 400.495 2.082 20 0 HEADRO NC(=O)c1ccc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000766489134 1079027413 /nfs/dbraw/zinc/02/74/13/1079027413.db2.gz VPCBRVSUTOIQTH-UHFFFAOYSA-N 1 0 402.394 2.248 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000766476348 1079032659 /nfs/dbraw/zinc/03/26/59/1079032659.db2.gz WLUCWSMYOBYWMK-QGZVFWFLSA-N 1 0 424.586 2.130 20 0 HEADRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766488537 1079028713 /nfs/dbraw/zinc/02/87/13/1079028713.db2.gz LAHRGZDKFSIZEC-CABCVRRESA-N 1 0 411.549 2.089 20 0 HEADRO Cc1ccncc1C[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170018164 1079030213 /nfs/dbraw/zinc/03/02/13/1079030213.db2.gz GAIKORYFYFVMDT-IRXDYDNUSA-N 1 0 406.552 2.391 20 0 HEADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc(N2CCCC2=O)cc1 ZINC001168801185 1079041621 /nfs/dbraw/zinc/04/16/21/1079041621.db2.gz NHIHIISLUVPIPT-OAHLLOKOSA-N 1 0 410.536 2.221 20 0 HEADRO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168858767 1079055138 /nfs/dbraw/zinc/05/51/38/1079055138.db2.gz QZTHJKMLGPEPMT-CWQOZTLDSA-N 1 0 409.527 2.028 20 0 HEADRO 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 ZINC001168858815 1079055146 /nfs/dbraw/zinc/05/51/46/1079055146.db2.gz RIEKFESOSZZVSY-FVVUREQNSA-N 1 0 423.554 2.133 20 0 HEADRO 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 ZINC001168858818 1079055154 /nfs/dbraw/zinc/05/51/54/1079055154.db2.gz RIEKFESOSZZVSY-ZWJWXYIHSA-N 1 0 423.554 2.133 20 0 HEADRO COC(=O)[C@H](CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001168829672 1079047920 /nfs/dbraw/zinc/04/79/20/1079047920.db2.gz OMKDAPIWFOZOIB-KFWWJZLASA-N 1 0 415.531 2.430 20 0 HEADRO CC(C)S(=O)(=O)N1CCC(C[NH2+][C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168828566 1079047988 /nfs/dbraw/zinc/04/79/88/1079047988.db2.gz IJHJLHHVBMSPRF-RDJZCZTQSA-N 1 0 403.589 2.424 20 0 HEADRO 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 1079053521 /nfs/dbraw/zinc/05/35/21/1079053521.db2.gz HKOHFDUZWYWWPM-QTUASDBPSA-N 1 0 407.555 2.390 20 0 HEADRO 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 1079054359 /nfs/dbraw/zinc/05/43/59/1079054359.db2.gz OTELUOXELIVRMS-OWLYRPNTSA-N 1 0 403.527 2.107 20 0 HEADRO 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 1079055989 /nfs/dbraw/zinc/05/59/89/1079055989.db2.gz WTGVLUZJINNDIO-VINWQNLFSA-N 1 0 407.555 2.390 20 0 HEADRO C[C@H]1C[C@H](N(C[C@H]2CCC[NH2+]2)S(=O)(=O)C(F)(F)F)CN1C(=O)OC(C)(C)C ZINC001168863875 1079056839 /nfs/dbraw/zinc/05/68/39/1079056839.db2.gz KBZIKFXRCRZYIH-XQQFMLRXSA-N 1 0 415.478 2.288 20 0 HEADRO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168865418 1079057269 /nfs/dbraw/zinc/05/72/69/1079057269.db2.gz MFAQONZPZXHCAP-WHSLLNHNSA-N 1 0 401.511 2.303 20 0 HEADRO C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H]3C(=O)N3CCOCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168865050 1079057370 /nfs/dbraw/zinc/05/73/70/1079057370.db2.gz LSNYCSOWWJHVBR-KZNAEPCWSA-N 1 0 407.555 2.345 20 0 HEADRO C[C@H]1C[C@H]([N@@H+]2CCc3ncnc(N4CCOCC4)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168850590 1079061734 /nfs/dbraw/zinc/06/17/34/1079061734.db2.gz QPOKYIUSBIEFIB-IRXDYDNUSA-N 1 0 417.554 2.112 20 0 HEADRO [NH3+]Cc1cccc(-c2nnn(-c3c4nccn4ccc3I)n2)c1 ZINC001168879357 1079067525 /nfs/dbraw/zinc/06/75/25/1079067525.db2.gz LDDFMFNQMXWEIK-UHFFFAOYSA-N 1 0 417.214 2.040 20 0 HEADRO C[C@@H]1C[C@H]([NH+]2CCC(N3CCCCS3(=O)=O)CC2)CN1C(=O)OC(C)(C)C ZINC001168877961 1079066267 /nfs/dbraw/zinc/06/62/67/1079066267.db2.gz ANDHZQZNDUUADB-WBVHZDCISA-N 1 0 401.573 2.274 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@H+]3C[C@H]4CN(C(=O)c5ccco5)C[C@H]4C3)CC2=O)cc1 ZINC001168937524 1079079353 /nfs/dbraw/zinc/07/93/53/1079079353.db2.gz ZGGBRIZWPNMALR-HSALFYBXSA-N 1 0 423.513 2.483 20 0 HEADRO CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)n([C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1 ZINC001168885864 1079068436 /nfs/dbraw/zinc/06/84/36/1079068436.db2.gz WVQUDWPGQIDYPI-KFWWJZLASA-N 1 0 407.515 2.492 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]CC3CCN(c4ncccn4)CC3)CC2=O)cc1 ZINC001168915981 1079075177 /nfs/dbraw/zinc/07/51/77/1079075177.db2.gz QMKWBXMDYNAWDO-HXUWFJFHSA-N 1 0 409.534 2.482 20 0 HEADRO COC(=O)c1ccc([C@H](CO)[NH2+][C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)cc1 ZINC001168920114 1079075731 /nfs/dbraw/zinc/07/57/31/1079075731.db2.gz LQMJLADWICOYRO-FPOVZHCZSA-N 1 0 412.486 2.296 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CC[C@@]4(CCN4c4ncccn4)C3)CC2=O)cc1 ZINC001168929530 1079088059 /nfs/dbraw/zinc/08/80/59/1079088059.db2.gz JDXALNXJFJVKSS-AUSIDOKSSA-N 1 0 407.518 2.331 20 0 HEADRO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+]([C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)C1 ZINC001168958022 1079091695 /nfs/dbraw/zinc/09/16/95/1079091695.db2.gz KYCHDYZWRNXHGG-PZJWPPBQSA-N 1 0 417.550 2.146 20 0 HEADRO COc1cccc(CNC(=O)c2cc3ccc(-n4nc(CC[NH3+])nc4C)cc3[nH]2)c1 ZINC001168990645 1079101809 /nfs/dbraw/zinc/10/18/09/1079101809.db2.gz DIMHRZCECKEAKI-UHFFFAOYSA-N 1 0 404.474 2.497 20 0 HEADRO CCOC(=O)[C@H](Nc1ccccc1C(C)(C)[NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169042572 1079108853 /nfs/dbraw/zinc/10/88/53/1079108853.db2.gz BYOHYXNKZJYLOK-MOPGFXCFSA-N 1 0 420.531 2.361 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc(O)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170021194 1079122764 /nfs/dbraw/zinc/12/27/64/1079122764.db2.gz WYPFHBKEPSQCJS-WBVHZDCISA-N 1 0 407.536 2.393 20 0 HEADRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OCC(=O)OC)cc2)C1 ZINC001169072634 1079124896 /nfs/dbraw/zinc/12/48/96/1079124896.db2.gz LSZMILFEUVPIMS-XYJFISCASA-N 1 0 420.506 2.079 20 0 HEADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC1=O ZINC000746280244 1079128765 /nfs/dbraw/zinc/12/87/65/1079128765.db2.gz NWDNMURDCLQKCF-PXNSSMCTSA-N 1 0 407.942 2.022 20 0 HEADRO CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001169104039 1079130578 /nfs/dbraw/zinc/13/05/78/1079130578.db2.gz LKIHSDHVHNUKME-SFHVURJKSA-N 1 0 413.522 2.475 20 0 HEADRO 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 1079134155 /nfs/dbraw/zinc/13/41/55/1079134155.db2.gz SGDMLZGRQRJHBV-DCXXXQMHSA-N 1 0 414.550 2.181 20 0 HEADRO CCOCCC1(CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CCC1 ZINC000766584539 1079135064 /nfs/dbraw/zinc/13/50/64/1079135064.db2.gz VFZYOUFDQGGUST-UHFFFAOYSA-N 1 0 402.539 2.090 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCSCC4)cc3)CC[C@@H]21 ZINC000766586084 1079135652 /nfs/dbraw/zinc/13/56/52/1079135652.db2.gz SQYSPHIJZWKVNX-APWZRJJASA-N 1 0 402.564 2.121 20 0 HEADRO COC(=O)c1cn(C2CC[NH+](CC[C@H]3Sc4ccccc4NC3=O)CC2)nn1 ZINC001169092072 1079140229 /nfs/dbraw/zinc/14/02/29/1079140229.db2.gz SPHFCKMSLZQPGE-QGZVFWFLSA-N 1 0 401.492 2.205 20 0 HEADRO CCC1(CC)[C@@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@@H]1OC ZINC000766597611 1079144404 /nfs/dbraw/zinc/14/44/04/1079144404.db2.gz CFBUJOYBWAQSFV-OALUTQOASA-N 1 0 402.539 2.087 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C1)C2 ZINC001169131800 1079151294 /nfs/dbraw/zinc/15/12/94/1079151294.db2.gz ZNAIYMUKFZMYNJ-BCDXTJNWSA-N 1 0 416.570 2.445 20 0 HEADRO CC[NH+](CC)[C@H](C)CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771106835 1079155033 /nfs/dbraw/zinc/15/50/33/1079155033.db2.gz PXPFLQQAXJGPSK-CWTRNNRKSA-N 1 0 412.893 2.093 20 0 HEADRO C[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C[NH+]1CCCC1 ZINC000771111864 1079157656 /nfs/dbraw/zinc/15/76/56/1079157656.db2.gz GOTNIXWTAGLKQK-RNODOKPDSA-N 1 0 424.904 2.094 20 0 HEADRO COC(=O)[C@@](C)(N)Cc1cn(-c2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)c2ccccc12 ZINC001169113222 1079160349 /nfs/dbraw/zinc/16/03/49/1079160349.db2.gz NQZRSQNPWYELHX-CMJOXMDJSA-N 1 0 418.501 2.183 20 0 HEADRO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)C2)c1 ZINC001169149869 1079166735 /nfs/dbraw/zinc/16/67/35/1079166735.db2.gz OXIMTKKHUABEGK-PMACEKPBSA-N 1 0 416.566 2.237 20 0 HEADRO 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 1079166764 /nfs/dbraw/zinc/16/67/64/1079166764.db2.gz WSNMUHBYLVDJHA-MPGHIAIKSA-N 1 0 419.570 2.192 20 0 HEADRO CC[C@H](C)[N@H+](C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771153984 1079166997 /nfs/dbraw/zinc/16/69/97/1079166997.db2.gz OAEHHXSFZLITKV-HXPMCKFVSA-N 1 0 412.893 2.093 20 0 HEADRO O[C@@H](C[NH+]1CCC(Oc2cccc(Br)c2)CC1)C[C@@]1(O)CCOC1 ZINC001169154804 1079168173 /nfs/dbraw/zinc/16/81/73/1079168173.db2.gz ZANDYDGQCBUGQA-QAPCUYQASA-N 1 0 400.313 2.195 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001169161475 1079170502 /nfs/dbraw/zinc/17/05/02/1079170502.db2.gz DDMZNENUIFRQDW-CABCVRRESA-N 1 0 423.521 2.235 20 0 HEADRO C[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1F ZINC001169162719 1079171829 /nfs/dbraw/zinc/17/18/29/1079171829.db2.gz OYXIQCSRPKDGAF-LSDHHAIUSA-N 1 0 401.486 2.482 20 0 HEADRO Cc1ccc(CC[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)s1 ZINC001169166335 1079174117 /nfs/dbraw/zinc/17/41/17/1079174117.db2.gz AZDWGBNLWVSXMR-AWEZNQCLSA-N 1 0 403.552 2.195 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc(Cl)s1 ZINC001169166817 1079174772 /nfs/dbraw/zinc/17/47/72/1079174772.db2.gz CJHZFHHCCDPJEV-GFCCVEGCSA-N 1 0 409.943 2.497 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC001169166742 1079174862 /nfs/dbraw/zinc/17/48/62/1079174862.db2.gz CDMYBNIAHRTCAC-QWEMWOLJSA-N 1 0 413.566 2.407 20 0 HEADRO Cc1ccc([C@@H]([NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C2CC2)nc1 ZINC001169188911 1079177746 /nfs/dbraw/zinc/17/77/46/1079177746.db2.gz BKZQFZAWLAZBID-APWZRJJASA-N 1 0 424.549 2.437 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001169191995 1079180375 /nfs/dbraw/zinc/18/03/75/1079180375.db2.gz OPNGJKOASSWLJY-SJLPKXTDSA-N 1 0 410.522 2.225 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001169194049 1079181742 /nfs/dbraw/zinc/18/17/42/1079181742.db2.gz YDDYBTHLMQKCMA-UONOGXRCSA-N 1 0 415.460 2.062 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001169203120 1079184337 /nfs/dbraw/zinc/18/43/37/1079184337.db2.gz STQIBCXMYAJCBX-ROUUACIJSA-N 1 0 424.549 2.267 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CCc1cccs1 ZINC001169203534 1079184911 /nfs/dbraw/zinc/18/49/11/1079184911.db2.gz VNWPYGQXGILKJH-OAHLLOKOSA-N 1 0 403.552 2.229 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCCc2cccnc21 ZINC001169172484 1079187339 /nfs/dbraw/zinc/18/73/39/1079187339.db2.gz PPZWQTDZAYTCMJ-RDJZCZTQSA-N 1 0 410.522 2.055 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCc2ccccc2C1 ZINC001169172635 1079187343 /nfs/dbraw/zinc/18/73/43/1079187343.db2.gz RPKXWZIJUUTZNR-VQIMIIECSA-N 1 0 409.534 2.140 20 0 HEADRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc(Cl)nc2c1CS(=O)(=O)CC2 ZINC001169176981 1079190640 /nfs/dbraw/zinc/19/06/40/1079190640.db2.gz ZATWRRSJYVIBGK-UHFFFAOYSA-N 1 0 420.922 2.363 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](C)COc1ccccc1 ZINC001169181219 1079193824 /nfs/dbraw/zinc/19/38/24/1079193824.db2.gz MMIKXVVEONKEOE-IAGOWNOFSA-N 1 0 413.522 2.050 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](c1cccnc1)C1CC1 ZINC001169182309 1079194500 /nfs/dbraw/zinc/19/45/00/1079194500.db2.gz XOWAUYCSQWBCTF-YJBOKZPZSA-N 1 0 410.522 2.128 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2ccc(F)cc2C1 ZINC001169209253 1079196618 /nfs/dbraw/zinc/19/66/18/1079196618.db2.gz TWQZSZAZBAYSHN-HNNXBMFYSA-N 1 0 413.497 2.190 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC001169213742 1079197080 /nfs/dbraw/zinc/19/70/80/1079197080.db2.gz SMFSLUOEXAFADJ-IRXDYDNUSA-N 1 0 409.534 2.439 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1Cc2ccccc2C[C@H]1C ZINC001169213740 1079197593 /nfs/dbraw/zinc/19/75/93/1079197593.db2.gz SMFSLUOEXAFADJ-IAGOWNOFSA-N 1 0 409.534 2.439 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2cc(F)ccc2C1 ZINC001169213789 1079197989 /nfs/dbraw/zinc/19/79/89/1079197989.db2.gz UIDPQQDBVOUMDD-OAHLLOKOSA-N 1 0 413.497 2.190 20 0 HEADRO Brc1cc(Br)c(NCc2ncn3c2C[NH2+]CCC3)nn1 ZINC001169243373 1079209789 /nfs/dbraw/zinc/20/97/89/1079209789.db2.gz JHMGUBPYWMLZLH-UHFFFAOYSA-N 1 0 402.094 2.304 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)[C@H]3CSCN3C(=O)CC(C)(C)C)CC[NH2+]2)c1 ZINC001169249791 1079211910 /nfs/dbraw/zinc/21/19/10/1079211910.db2.gz DOORXKZACZPLGX-PKOBYXMFSA-N 1 0 419.591 2.376 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)[C@H]3CCCN(C(=O)NCC(C)C)C3)CC[NH2+]2)c1 ZINC001169251490 1079212259 /nfs/dbraw/zinc/21/22/59/1079212259.db2.gz OPZBVJKAUZTRBM-PMACEKPBSA-N 1 0 416.566 2.116 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)CNC(=O)c3cccc(Cl)c3)CC[NH2+]2)c1 ZINC001169252454 1079212706 /nfs/dbraw/zinc/21/27/06/1079212706.db2.gz YUCCIAMYOZQEQK-SFHVURJKSA-N 1 0 401.894 2.122 20 0 HEADRO CCN1[C@H]2CCN(C3CC[NH+](CC)CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169253778 1079213053 /nfs/dbraw/zinc/21/30/53/1079213053.db2.gz IJDOWXJPSGYDJV-OALUTQOASA-N 1 0 407.580 2.407 20 0 HEADRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001169274623 1079215608 /nfs/dbraw/zinc/21/56/08/1079215608.db2.gz ZFAYGDPORCTFOB-QZAYQTGJSA-N 1 0 402.520 2.402 20 0 HEADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCO)cc1S(=O)(=O)N1CCCCC1 ZINC001169270977 1079224553 /nfs/dbraw/zinc/22/45/53/1079224553.db2.gz KMFBJDBGAGKYFY-HKUYNNGSSA-N 1 0 423.579 2.249 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000771215937 1079231121 /nfs/dbraw/zinc/23/11/21/1079231121.db2.gz YUQSMMRDNMIVTM-INIZCTEOSA-N 1 0 400.523 2.239 20 0 HEADRO CO[C@@]1(C(F)(F)F)CCC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001169333919 1079236797 /nfs/dbraw/zinc/23/67/97/1079236797.db2.gz VLMSYJFTOUYNPV-KSSFIOAISA-N 1 0 402.413 2.354 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2Cc3ccc(I)cc3C2)CO1 ZINC001169337017 1079237800 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SGFLIHKTSPOOMY-QFBILLFUSA-N 1 0 411.506 2.375 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2(CCOC)CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169355894 1079240854 /nfs/dbraw/zinc/24/08/54/1079240854.db2.gz GVPKSTWKIPFQDI-IAGOWNOFSA-N 1 0 414.543 2.493 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000771289199 1079242415 /nfs/dbraw/zinc/24/24/15/1079242415.db2.gz JKQUCRKZNPHROP-UHFFFAOYSA-N 1 0 415.582 2.138 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCNC(=O)c2ncsc2-c2cccc(F)c2)CO1 ZINC001169376624 1079246404 /nfs/dbraw/zinc/24/64/04/1079246404.db2.gz SNYLDUMQQNKJIL-HZPDHXFCSA-N 1 0 421.494 2.379 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(c3cc(C(F)(F)F)ncn3)CC2)CO1 ZINC001169378172 1079247124 /nfs/dbraw/zinc/24/71/24/1079247124.db2.gz XETVJEUSRPGPOW-UONOGXRCSA-N 1 0 402.417 2.165 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)CO1 ZINC001169383888 1079254533 /nfs/dbraw/zinc/25/45/33/1079254533.db2.gz CIRISMGAZWVXAN-WRTQPQOASA-N 1 0 404.507 2.331 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001687510735 1079253316 /nfs/dbraw/zinc/25/33/16/1079253316.db2.gz FDMWMRXJPMUDPP-XWSJACJDSA-N 1 0 423.602 2.100 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CO1 ZINC001169389513 1079259557 /nfs/dbraw/zinc/25/95/57/1079259557.db2.gz FFXLCVSWZLHKLH-GXKRZCMTSA-N 1 0 404.507 2.442 20 0 HEADRO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(C[NH+](C)C)c2)C1=O ZINC000771273581 1079261420 /nfs/dbraw/zinc/26/14/20/1079261420.db2.gz GAANSHSISJESIK-HSZRJFAPSA-N 1 0 424.501 2.471 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)CO1 ZINC001169399857 1079273264 /nfs/dbraw/zinc/27/32/64/1079273264.db2.gz WWJZTXOIZKRHBN-ZCNNSNEGSA-N 1 0 404.507 2.332 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000771293126 1079268193 /nfs/dbraw/zinc/26/81/93/1079268193.db2.gz ZDKIVLAPCNCFRB-UHFFFAOYSA-N 1 0 411.591 2.101 20 0 HEADRO C[NH+]1CCC2(CC1)CN(C(=O)N[C@H]1C[C@H]3C[C@@H](C1)N(C(=O)OC(C)(C)C)C3)CCO2 ZINC001687511211 1079269432 /nfs/dbraw/zinc/26/94/32/1079269432.db2.gz PNIRLFIPJJQEPW-BZSNNMDCSA-N 1 0 422.570 2.281 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000771319768 1079285009 /nfs/dbraw/zinc/28/50/09/1079285009.db2.gz LMZXYXTXAIFWFN-QGZVFWFLSA-N 1 0 410.559 2.330 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000771316355 1079282366 /nfs/dbraw/zinc/28/23/66/1079282366.db2.gz MTSJGGSRQJRCRO-RDJZCZTQSA-N 1 0 421.517 2.169 20 0 HEADRO COc1ccc([C@H](CNc2ccc(C(C)=O)cc2S(N)(=O)=O)[NH+](C)C)cc1OC ZINC000804324710 1079291869 /nfs/dbraw/zinc/29/18/69/1079291869.db2.gz JBGXRQZWXCOPDP-KRWDZBQOSA-N 1 0 421.519 2.269 20 0 HEADRO CC(C)(C)OC(=O)[C@H]1CCNC(=O)c2ccc(-n3nnc4ccc(C[NH3+])cc43)cc21 ZINC001170025939 1079296642 /nfs/dbraw/zinc/29/66/42/1079296642.db2.gz INIQXLVPSGIXCL-INIZCTEOSA-N 1 0 407.474 2.438 20 0 HEADRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@@H](CO)[C@H](O)C1CCCCC1 ZINC001169429750 1079300170 /nfs/dbraw/zinc/30/01/70/1079300170.db2.gz RWWYFDIOWDNAOS-RBBKRZOGSA-N 1 0 423.985 2.270 20 0 HEADRO CC[NH+](CC)C1CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 ZINC000052050123 1079304714 /nfs/dbraw/zinc/30/47/14/1079304714.db2.gz QMFILCGSPINEAR-OAQYLSRUSA-N 1 0 414.550 2.174 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC2CCC(O)(c3cccnc3)CC2)C1 ZINC000771370948 1079307410 /nfs/dbraw/zinc/30/74/10/1079307410.db2.gz WMHCQJKDMGLKFI-SNCIUUNGSA-N 1 0 404.555 2.354 20 0 HEADRO CC[N@H+](CCC1CCN(C(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)CC1)CC1CC1 ZINC000771412886 1079311428 /nfs/dbraw/zinc/31/14/28/1079311428.db2.gz GICQCGVYMJQFKD-UHFFFAOYSA-N 1 0 414.554 2.362 20 0 HEADRO O=C(NCCC[NH+]1CCCC1)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000766722584 1079312585 /nfs/dbraw/zinc/31/25/85/1079312585.db2.gz ALRXIDXMMIJQJA-UHFFFAOYSA-N 1 0 423.457 2.144 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 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/nfs/dbraw/zinc/03/36/41/1076033641.db2.gz AROPAJILLFHAQD-HNNXBMFYSA-N 1 0 402.539 2.276 20 0 HEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2COc3ccccc3C2)c(OCC[NH+](C)C)c1 ZINC000739065327 1076034652 /nfs/dbraw/zinc/03/46/52/1076034652.db2.gz FSSAZYSFYYILJY-QGZVFWFLSA-N 1 0 411.502 2.241 20 0 HEADRO CCCCN(CCO)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739066413 1076034771 /nfs/dbraw/zinc/03/47/71/1076034771.db2.gz IMWJTVIIDQUYIJ-UHFFFAOYSA-N 1 0 404.555 2.024 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000739067725 1076035359 /nfs/dbraw/zinc/03/53/59/1076035359.db2.gz LZLMCELWYDHOQL-UTKZUKDTSA-N 1 0 410.518 2.269 20 0 HEADRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)CC1 ZINC000739067177 1076035887 /nfs/dbraw/zinc/03/58/87/1076035887.db2.gz KVNQYMIQDHMNFO-LJQANCHMSA-N 1 0 416.566 2.479 20 0 HEADRO CCN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739069628 1076036864 /nfs/dbraw/zinc/03/68/64/1076036864.db2.gz JPYOQCHYDIJNGY-IBGZPJMESA-N 1 0 416.566 2.288 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000739069780 1076036902 /nfs/dbraw/zinc/03/69/02/1076036902.db2.gz QAUWYNMKPMWOPL-WIYYLYMNSA-N 1 0 422.529 2.241 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCCc3nccs3)cc2)CC1 ZINC000739077973 1076038847 /nfs/dbraw/zinc/03/88/47/1076038847.db2.gz AMYYNJIVDPJKCK-UHFFFAOYSA-N 1 0 415.563 2.219 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC3CCSCC3)cc2)CC1 ZINC000739079608 1076038885 /nfs/dbraw/zinc/03/88/85/1076038885.db2.gz GRNRRCCKYSJEHC-UHFFFAOYSA-N 1 0 404.580 2.415 20 0 HEADRO CCOCCN(CC)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739082810 1076039745 /nfs/dbraw/zinc/03/97/45/1076039745.db2.gz BFNKVXCNEOBGSS-UHFFFAOYSA-N 1 0 404.555 2.288 20 0 HEADRO CCC(CC)[C@@H](O)CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739085388 1076041758 /nfs/dbraw/zinc/04/17/58/1076041758.db2.gz IOEBELVHSPGKAI-NRFANRHFSA-N 1 0 418.582 2.316 20 0 HEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)C1 ZINC000739091242 1076043981 /nfs/dbraw/zinc/04/39/81/1076043981.db2.gz VHMPPLXRWIRHBT-ROUUACIJSA-N 1 0 402.539 2.087 20 0 HEADRO CC[C@@H](NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)c1nccs1 ZINC000739117107 1076045780 /nfs/dbraw/zinc/04/57/80/1076045780.db2.gz LUGKAXCBWVXROS-QGZVFWFLSA-N 1 0 401.536 2.491 20 0 HEADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000739117949 1076045802 /nfs/dbraw/zinc/04/58/02/1076045802.db2.gz GBXXITYQGRGZMJ-GOSISDBHSA-N 1 0 402.495 2.305 20 0 HEADRO CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000739119591 1076046009 /nfs/dbraw/zinc/04/60/09/1076046009.db2.gz DNMJQXDGBRYVRZ-KRWDZBQOSA-N 1 0 418.538 2.371 20 0 HEADRO O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000739120205 1076046991 /nfs/dbraw/zinc/04/69/91/1076046991.db2.gz PJGRSMSBRBGUBF-GOSISDBHSA-N 1 0 418.513 2.078 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CC2)c1 ZINC000739556025 1076063148 /nfs/dbraw/zinc/06/31/48/1076063148.db2.gz NMLLZKONBCNICJ-DLBZAZTESA-N 1 0 404.511 2.432 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)cn2)CC1 ZINC000739688353 1076071599 /nfs/dbraw/zinc/07/15/99/1076071599.db2.gz PBAASJBZGVIOGA-ZWKOTPCHSA-N 1 0 417.554 2.143 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000739706287 1076074276 /nfs/dbraw/zinc/07/42/76/1076074276.db2.gz FYTPOIHYEJMQIS-UHFFFAOYSA-N 1 0 405.543 2.143 20 0 HEADRO Cc1c(C(=O)NC[C@@](C)(O)c2cccs2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000740158724 1076114557 /nfs/dbraw/zinc/11/45/57/1076114557.db2.gz OQENSKCIJSMYHD-OAQYLSRUSA-N 1 0 411.531 2.263 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1 ZINC000766247489 1076142766 /nfs/dbraw/zinc/14/27/66/1076142766.db2.gz LLJSJHZJRQAIND-UHFFFAOYSA-N 1 0 404.511 2.192 20 0 HEADRO C[C@H](OC(=O)c1ccnc(-n2cccn2)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000740346591 1076155858 /nfs/dbraw/zinc/15/58/58/1076155858.db2.gz OACFPLOLUQOMAR-FXAWDEMLSA-N 1 0 419.485 2.203 20 0 HEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)CC2)C1 ZINC000740486770 1076170351 /nfs/dbraw/zinc/17/03/51/1076170351.db2.gz ZUYIIBRQFDXOOZ-ACBHZAAOSA-N 1 0 423.602 2.244 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)C[NH+]1CCCCC1 ZINC000740491614 1076172310 /nfs/dbraw/zinc/17/23/10/1076172310.db2.gz MXXZHTVJUGSTHK-GUDVDZBRSA-N 1 0 416.566 2.477 20 0 HEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OCCC(C)C ZINC000740493149 1076172315 /nfs/dbraw/zinc/17/23/15/1076172315.db2.gz ALORDZKIULQEDF-OALUTQOASA-N 1 0 403.523 2.338 20 0 HEADRO CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000740496846 1076174668 /nfs/dbraw/zinc/17/46/68/1076174668.db2.gz ZZWUUPMNFZREFE-XLNAKTSKSA-N 1 0 401.507 2.440 20 0 HEADRO O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000740513107 1076199221 /nfs/dbraw/zinc/19/92/21/1076199221.db2.gz PHCQTXHEAKOKCC-OAHLLOKOSA-N 1 0 406.477 2.448 20 0 HEADRO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000740514318 1076199381 /nfs/dbraw/zinc/19/93/81/1076199381.db2.gz XYUGWIQRCLJWFS-QGZVFWFLSA-N 1 0 400.523 2.051 20 0 HEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000740713602 1076215467 /nfs/dbraw/zinc/21/54/67/1076215467.db2.gz RYMNVGZWWVEFPG-UHFFFAOYSA-N 1 0 404.511 2.433 20 0 HEADRO CCCN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000740695582 1076225916 /nfs/dbraw/zinc/22/59/16/1076225916.db2.gz VQITZGOXGFNNEE-HSZRJFAPSA-N 1 0 410.518 2.407 20 0 HEADRO CCCN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000740695583 1076226089 /nfs/dbraw/zinc/22/60/89/1076226089.db2.gz VQITZGOXGFNNEE-QHCPKHFHSA-N 1 0 410.518 2.407 20 0 HEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000740756552 1076227221 /nfs/dbraw/zinc/22/72/21/1076227221.db2.gz KGABJGMNZSZEQX-KRWDZBQOSA-N 1 0 420.535 2.240 20 0 HEADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CSC(=O)N1 ZINC000740741626 1076230450 /nfs/dbraw/zinc/23/04/50/1076230450.db2.gz MUKGVOSEKYRQMY-HNNXBMFYSA-N 1 0 416.469 2.159 20 0 HEADRO Cc1cccc(C2N=NC(=S)N2CCC(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000740748241 1076233063 /nfs/dbraw/zinc/23/30/63/1076233063.db2.gz ZSNRUGIDFWTZCT-UHFFFAOYSA-N 1 0 416.595 2.028 20 0 HEADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000740750954 1076234303 /nfs/dbraw/zinc/23/43/03/1076234303.db2.gz RCOYSKYHRBYFMX-FQEVSTJZSA-N 1 0 402.539 2.120 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(S(N)(=O)=O)ccc2Br)C[C@@H]1C ZINC000740838603 1076263593 /nfs/dbraw/zinc/26/35/93/1076263593.db2.gz BUUOTFUWRHMYDA-NWDGAFQWSA-N 1 0 418.357 2.041 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C[C@@H]1C ZINC000740841422 1076264269 /nfs/dbraw/zinc/26/42/69/1076264269.db2.gz QSNVPJYEJORKIN-DZGCQCFKSA-N 1 0 417.959 2.467 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)C[C@@H]1C ZINC000740840897 1076264334 /nfs/dbraw/zinc/26/43/34/1076264334.db2.gz HMAXDXOEKNSKLV-SGXKBVARSA-N 1 0 400.523 2.093 20 0 HEADRO C[C@@H]1NC(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)=NN(c2ccccc2)C1=O ZINC000740847052 1076266564 /nfs/dbraw/zinc/26/65/64/1076266564.db2.gz MDXHVNSRQBTWML-MOPGFXCFSA-N 1 0 419.529 2.448 20 0 HEADRO CC(C)[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C1CCC1 ZINC000740886605 1076284680 /nfs/dbraw/zinc/28/46/80/1076284680.db2.gz WYUDHVUABOQDQX-WJDWOHSUSA-N 1 0 405.564 2.394 20 0 HEADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1 ZINC000740890711 1076291095 /nfs/dbraw/zinc/29/10/95/1076291095.db2.gz KEEAGAQLFNMDJA-UHFFFAOYSA-N 1 0 419.503 2.062 20 0 HEADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H](O)c2ccccc2Cl)c1 ZINC000740911235 1076302741 /nfs/dbraw/zinc/30/27/41/1076302741.db2.gz KIJZCNNLBZAVGD-LJQANCHMSA-N 1 0 418.925 2.164 20 0 HEADRO CCOC(=O)C1=C(COC(=O)[C@H](C)[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccco1 ZINC000741031265 1076331459 /nfs/dbraw/zinc/33/14/59/1076331459.db2.gz OBLZFUJHNPLXFV-KSSFIOAISA-N 1 0 419.478 2.258 20 0 HEADRO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000741054442 1076345798 /nfs/dbraw/zinc/34/57/98/1076345798.db2.gz OGXDQJWBBRLAKP-BHIFYINESA-N 1 0 419.566 2.191 20 0 HEADRO COc1ccccc1[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1nccn1C ZINC000741077324 1076355170 /nfs/dbraw/zinc/35/51/70/1076355170.db2.gz OPJYARDUPVHPNG-HXUWFJFHSA-N 1 0 415.538 2.006 20 0 HEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2Cl)c(OCC[NH+](C)C)c1 ZINC000741105528 1076358156 /nfs/dbraw/zinc/35/81/56/1076358156.db2.gz UFPONHMNEURLMI-GOSISDBHSA-N 1 0 419.909 2.377 20 0 HEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2Cl)cc1 ZINC000741105778 1076377606 /nfs/dbraw/zinc/37/76/06/1076377606.db2.gz ZJBLEGMRTXRONP-GOSISDBHSA-N 1 0 405.882 2.069 20 0 HEADRO COc1ccc([C@@H]2[C@@H](COC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC[N@@H+]2C)cc1 ZINC000741123705 1076380328 /nfs/dbraw/zinc/38/03/28/1076380328.db2.gz IHAPAMWLMAWQFE-IIBYNOLFSA-N 1 0 423.469 2.347 20 0 HEADRO COc1ccc([C@H]2[C@H](COC(=O)Cc3ccc(-n4cnnn4)cc3)CC[N@@H+]2C)cc1 ZINC000741125619 1076380672 /nfs/dbraw/zinc/38/06/72/1076380672.db2.gz XNJRAGMYTDKCBF-AVRDEDQJSA-N 1 0 407.474 2.450 20 0 HEADRO CCC1(CC)NC(=O)N(CC(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(OC)cc2)C1=O ZINC000741125355 1076381128 /nfs/dbraw/zinc/38/11/28/1076381128.db2.gz VRDHRVRYZOZIBR-QFBILLFUSA-N 1 0 417.506 2.342 20 0 HEADRO COc1ccc([C@H]2[C@H](COC(=O)CCCN3C(=O)NC(C)(C)C3=O)CC[N@@H+]2C)cc1 ZINC000741125523 1076381153 /nfs/dbraw/zinc/38/11/53/1076381153.db2.gz WTGGUAIXCTZEAT-LPHOPBHVSA-N 1 0 417.506 2.342 20 0 HEADRO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741156894 1076389112 /nfs/dbraw/zinc/38/91/12/1076389112.db2.gz KCHYNAVHPAOVNA-RTBURBONSA-N 1 0 408.587 2.262 20 0 HEADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000741155491 1076389177 /nfs/dbraw/zinc/38/91/77/1076389177.db2.gz GFCUWNPNZXVARR-AQNXPRMDSA-N 1 0 422.614 2.366 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000741276930 1076441524 /nfs/dbraw/zinc/44/15/24/1076441524.db2.gz CBVKNVMBYMSWKG-MAUKXSAKSA-N 1 0 410.559 2.090 20 0 HEADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000741259836 1076447590 /nfs/dbraw/zinc/44/75/90/1076447590.db2.gz BOSMRLCBOKAMGB-UHFFFAOYSA-N 1 0 415.918 2.062 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)N3CCO[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000741340972 1076473173 /nfs/dbraw/zinc/47/31/73/1076473173.db2.gz LKNNGTLILZFORD-LEWJYISDSA-N 1 0 415.534 2.155 20 0 HEADRO O=C(COC(=O)C1CC[NH+](Cc2ccccc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000741328591 1076478045 /nfs/dbraw/zinc/47/80/45/1076478045.db2.gz ISCNNFWYMFICET-UHFFFAOYSA-N 1 0 410.470 2.487 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)CN3CCc4ccccc43)cc2)CC1 ZINC000741333984 1076479964 /nfs/dbraw/zinc/47/99/64/1076479964.db2.gz YLUQBVKXORUSAS-UHFFFAOYSA-N 1 0 422.529 2.373 20 0 HEADRO CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000741333882 1076480384 /nfs/dbraw/zinc/48/03/84/1076480384.db2.gz XNXTVYSARHWNAJ-HXUWFJFHSA-N 1 0 416.518 2.386 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCc3nnnn3Cc3ccccc3)cc2)CC1 ZINC000741344119 1076486678 /nfs/dbraw/zinc/48/66/78/1076486678.db2.gz VPKMQWIHXJHEOS-UHFFFAOYSA-N 1 0 406.490 2.220 20 0 HEADRO COC(=O)c1cc(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000741394360 1076509594 /nfs/dbraw/zinc/50/95/94/1076509594.db2.gz XGWQFEVEDHUBIN-NRFANRHFSA-N 1 0 401.438 2.371 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCO1 ZINC000741402804 1076511465 /nfs/dbraw/zinc/51/14/65/1076511465.db2.gz KIKIGWBEKAHXSW-ROUUACIJSA-N 1 0 409.914 2.450 20 0 HEADRO O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741410617 1076513519 /nfs/dbraw/zinc/51/35/19/1076513519.db2.gz KQPKEIXCTBEBPG-QHCPKHFHSA-N 1 0 405.502 2.309 20 0 HEADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000741429000 1076521507 /nfs/dbraw/zinc/52/15/07/1076521507.db2.gz JFZCXPHHYIJADL-KRWDZBQOSA-N 1 0 407.873 2.372 20 0 HEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000741584390 1076553681 /nfs/dbraw/zinc/55/36/81/1076553681.db2.gz JKEQVJYJQCQFCB-YJBOKZPZSA-N 1 0 408.506 2.252 20 0 HEADRO Cn1ncc2c1nc(CCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)[nH]c2=O ZINC000741604423 1076562493 /nfs/dbraw/zinc/56/24/93/1076562493.db2.gz DABXJNNZCUWNAS-FZKQIMNGSA-N 1 0 414.535 2.262 20 0 HEADRO C[NH+](C)C1(CNC(=O)CN2C(=O)COc3ccc(Cl)cc32)Cc2ccccc2C1 ZINC000741604697 1076562965 /nfs/dbraw/zinc/56/29/65/1076562965.db2.gz UREGSPANKJUSPA-UHFFFAOYSA-N 1 0 413.905 2.281 20 0 HEADRO CC(C)c1ccc(N2CC[C@@H](C(=O)N(C)CCCN3CC[NH+](C)CC3)C2=O)cc1 ZINC000741690132 1076587777 /nfs/dbraw/zinc/58/77/77/1076587777.db2.gz HCCDGRCXADCBAF-NRFANRHFSA-N 1 0 400.567 2.259 20 0 HEADRO CCS(=O)(=O)NCc1ccc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000741691949 1076588522 /nfs/dbraw/zinc/58/85/22/1076588522.db2.gz SHZMUUIGGRDOKD-UHFFFAOYSA-N 1 0 419.547 2.343 20 0 HEADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000741693446 1076588562 /nfs/dbraw/zinc/58/85/62/1076588562.db2.gz QYXKANYPRCOAEK-WIYYLYMNSA-N 1 0 400.567 2.305 20 0 HEADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000741720822 1076593386 /nfs/dbraw/zinc/59/33/86/1076593386.db2.gz CDYFYFBGYMQTTD-GOEBONIOSA-N 1 0 420.558 2.371 20 0 HEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000741708079 1076600692 /nfs/dbraw/zinc/60/06/92/1076600692.db2.gz JLQRUBTUHCPLPT-UHFFFAOYSA-N 1 0 421.950 2.077 20 0 HEADRO CN1CCN(C(=O)CC2CC[NH+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000741784992 1076626360 /nfs/dbraw/zinc/62/63/60/1076626360.db2.gz LVKMYZKJWUOJOQ-LJQANCHMSA-N 1 0 408.587 2.120 20 0 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C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000742069621 1076733731 /nfs/dbraw/zinc/73/37/31/1076733731.db2.gz KJMYHSOBOZKFTJ-IRXDYDNUSA-N 1 0 420.579 2.227 20 0 HEADRO CN(CCCC(=O)N1CCC(CC[NH+](C)C)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000742075554 1076736061 /nfs/dbraw/zinc/73/60/61/1076736061.db2.gz BWTKSBQPCVXJAQ-UHFFFAOYSA-N 1 0 420.579 2.038 20 0 HEADRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742106944 1076743812 /nfs/dbraw/zinc/74/38/12/1076743812.db2.gz BPPXKKFGDUZPKT-VQTJNVASSA-N 1 0 417.550 2.303 20 0 HEADRO O=C(OCc1ccccc1)N1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742107480 1076744175 /nfs/dbraw/zinc/74/41/75/1076744175.db2.gz LCKMUCWIGFGUAT-RTWAWAEBSA-N 1 0 415.534 2.358 20 0 HEADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000742120409 1076748934 /nfs/dbraw/zinc/74/89/34/1076748934.db2.gz WFUCIUKHKVNTOH-JPYJTQIMSA-N 1 0 412.534 2.096 20 0 HEADRO O=c1n(Cc2ccccc2)c2ccncc2n1CN1CCN(c2cc[nH+]cc2)CC1 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/nfs/dbraw/zinc/80/87/24/1076808724.db2.gz DXBPOTCEDFHEDU-GOSISDBHSA-N 1 0 403.589 2.283 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N(CCc2ccccc2)CC[NH+](C)C)CC1 ZINC000742277916 1076808874 /nfs/dbraw/zinc/80/88/74/1076808874.db2.gz XVTMRHUMELXYET-UHFFFAOYSA-N 1 0 411.568 2.043 20 0 HEADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000742308495 1076814427 /nfs/dbraw/zinc/81/44/27/1076814427.db2.gz IYQOZLLGYGOCGX-DGCLKSJQSA-N 1 0 419.341 2.387 20 0 HEADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742297079 1076820933 /nfs/dbraw/zinc/82/09/33/1076820933.db2.gz VJZABIKXELMQGX-WOJBJXKFSA-N 1 0 423.579 2.391 20 0 HEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000742323192 1076823819 /nfs/dbraw/zinc/82/38/19/1076823819.db2.gz ZTTYIWVLPBZXDS-SFHVURJKSA-N 1 0 409.552 2.143 20 0 HEADRO C[C@@H](CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000742312770 1076827890 /nfs/dbraw/zinc/82/78/90/1076827890.db2.gz LSFFBJRRWPCHIA-ZDUSSCGKSA-N 1 0 411.515 2.460 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000742342672 1076831134 /nfs/dbraw/zinc/83/11/34/1076831134.db2.gz YVOHOSKRMRZAQD-ZDUSSCGKSA-N 1 0 408.973 2.096 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742345914 1076831916 /nfs/dbraw/zinc/83/19/16/1076831916.db2.gz BEXNIQAGTFSHSP-UXHICEINSA-N 1 0 423.579 2.391 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000742379927 1076835014 /nfs/dbraw/zinc/83/50/14/1076835014.db2.gz CWGVSUNJUINXSF-WTXIUTQJSA-N 1 0 400.976 2.309 20 0 HEADRO NC(=O)COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000742378659 1076835072 /nfs/dbraw/zinc/83/50/72/1076835072.db2.gz IXVCOTJUBWHGJP-GOSISDBHSA-N 1 0 419.428 2.437 20 0 HEADRO CCCCc1nnc(S[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1N ZINC000742454956 1076838452 /nfs/dbraw/zinc/83/84/52/1076838452.db2.gz RIXBHSGJJPIRDR-RDJZCZTQSA-N 1 0 402.568 2.206 20 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C[C@@H](OC(=O)c1c[nH]nc1-c1ccncc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744814175 1077586216 /nfs/dbraw/zinc/58/62/16/1077586216.db2.gz QEGWIXVNCPDIET-APWZRJJASA-N 1 0 419.485 2.408 20 0 HEADRO CC(=O)NC1(C(=O)O[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000744819596 1077589152 /nfs/dbraw/zinc/58/91/52/1077589152.db2.gz AFTSTUVNGZCNEC-XLIONFOSSA-N 1 0 415.534 2.148 20 0 HEADRO C[C@H]1CC[N@H+](CCNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000744798886 1077597655 /nfs/dbraw/zinc/59/76/55/1077597655.db2.gz PYYNHNCBUZRCPP-BXBHGGAKSA-N 1 0 405.564 2.157 20 0 HEADRO COC(=O)[C@@H](C)Sc1ccccc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000744825070 1077608678 /nfs/dbraw/zinc/60/86/78/1077608678.db2.gz OQHSAYIHZZLBLX-OAHLLOKOSA-N 1 0 422.547 2.486 20 0 HEADRO C[C@@H](CNC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000744834506 1077615387 /nfs/dbraw/zinc/61/53/87/1077615387.db2.gz OJAYNUAVRIPJJF-MSOLQXFVSA-N 1 0 411.591 2.101 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cnnn2-c2ccccc2Cl)CC1 ZINC000744881112 1077650191 /nfs/dbraw/zinc/65/01/91/1077650191.db2.gz UVRBGBLKEAEQEH-UHFFFAOYSA-N 1 0 405.886 2.067 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2c(N)c(F)ccc2Br)CC1 ZINC000744918346 1077666515 /nfs/dbraw/zinc/66/65/15/1077666515.db2.gz WZTVCLISMGLUOV-UHFFFAOYSA-N 1 0 416.291 2.316 20 0 HEADRO CC(C)CC(=O)N[C@H](C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000744937016 1077679552 /nfs/dbraw/zinc/67/95/52/1077679552.db2.gz SRXFFGLYGOWINF-QFIPXVFZSA-N 1 0 417.550 2.422 20 0 HEADRO C[C@H](OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)C(=O)N1CCOCC1 ZINC000744993354 1077698134 /nfs/dbraw/zinc/69/81/34/1077698134.db2.gz JQYGTCRPUASMSZ-ROUUACIJSA-N 1 0 404.507 2.344 20 0 HEADRO COC(=O)N[C@H](C(=O)O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000745024395 1077708920 /nfs/dbraw/zinc/70/89/20/1077708920.db2.gz RVQSKGPWYDQKEG-LPHOPBHVSA-N 1 0 419.522 2.080 20 0 HEADRO CCN1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000745089225 1077726143 /nfs/dbraw/zinc/72/61/43/1077726143.db2.gz PYWWLBYEOLTAHK-OAQYLSRUSA-N 1 0 417.550 2.147 20 0 HEADRO CC[C@H](C(=O)O[C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+](CC)CC ZINC000745096021 1077729495 /nfs/dbraw/zinc/72/94/95/1077729495.db2.gz TVJAYXSDRKQHJP-DZGCQCFKSA-N 1 0 407.467 2.158 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000745288502 1077804089 /nfs/dbraw/zinc/80/40/89/1077804089.db2.gz WUIARHGUCXPVDB-ZWKOTPCHSA-N 1 0 402.491 2.094 20 0 HEADRO CN1CCC(CNC(=O)NC[C@H]2COc3ccccc3C2)([NH+]2CCCCC2)CC1 ZINC000745348546 1077811360 /nfs/dbraw/zinc/81/13/60/1077811360.db2.gz LKHWPOUXOBWROO-IBGZPJMESA-N 1 0 400.567 2.487 20 0 HEADRO CN1CCC(CNC(=O)NC[C@@H]2COc3ccccc3C2)([NH+]2CCCCC2)CC1 ZINC000745348547 1077811388 /nfs/dbraw/zinc/81/13/88/1077811388.db2.gz LKHWPOUXOBWROO-LJQANCHMSA-N 1 0 400.567 2.487 20 0 HEADRO CNC(=O)c1cccc(C(=O)O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000745370313 1077813291 /nfs/dbraw/zinc/81/32/91/1077813291.db2.gz PTARKYIUZDLKTI-QGZVFWFLSA-N 1 0 423.513 2.372 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3nc(C)ncc3Cl)cc2)CC1 ZINC000745376699 1077817415 /nfs/dbraw/zinc/81/74/15/1077817415.db2.gz APMMCIKNDLKOLW-UHFFFAOYSA-N 1 0 417.897 2.376 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)NCC(C)(C)N3CC[NH+](C)CC3)CC2)cc1 ZINC000745429626 1077824076 /nfs/dbraw/zinc/82/40/76/1077824076.db2.gz PAUHIZZYOCDBFF-UHFFFAOYSA-N 1 0 416.614 2.047 20 0 HEADRO CN(C(=O)NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771761822 1079516192 /nfs/dbraw/zinc/51/61/92/1079516192.db2.gz CZLSDQYZQBVGAK-OAQYLSRUSA-N 1 0 413.566 2.123 20 0 HEADRO CCN(C(=O)NCc1ccc(-n2cncn2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771763576 1079519591 /nfs/dbraw/zinc/51/95/91/1079519591.db2.gz SYHGSOAQFKZFGK-HXUWFJFHSA-N 1 0 405.506 2.468 20 0 HEADRO Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766956882 1079520815 /nfs/dbraw/zinc/52/08/15/1079520815.db2.gz XKBZGSXBXRODRQ-UXHICEINSA-N 1 0 400.523 2.120 20 0 HEADRO CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766960992 1079525657 /nfs/dbraw/zinc/52/56/57/1079525657.db2.gz ZKTNWBQETLLJPQ-FPOVZHCZSA-N 1 0 418.513 2.375 20 0 HEADRO CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766944852 1079533690 /nfs/dbraw/zinc/53/36/90/1079533690.db2.gz GLYMJCVUPCGGDB-CTNGQTDRSA-N 1 0 400.523 2.236 20 0 HEADRO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766947557 1079539417 /nfs/dbraw/zinc/53/94/17/1079539417.db2.gz WLFAXFUPOXETSE-AKCHCHLHSA-N 1 0 406.477 2.334 20 0 HEADRO CCCCn1c(C[NH2+][C@H](CO)C2CC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000771809850 1079543038 /nfs/dbraw/zinc/54/30/38/1079543038.db2.gz VPLDNSOAXMNEJV-QGZVFWFLSA-N 1 0 411.506 2.008 20 0 HEADRO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000766950012 1079544269 /nfs/dbraw/zinc/54/42/69/1079544269.db2.gz JTSDPOMNIVPBCS-RBBKRZOGSA-N 1 0 414.550 2.454 20 0 HEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 ZINC000771830283 1079550824 /nfs/dbraw/zinc/55/08/24/1079550824.db2.gz CMAKLCKOFWLADU-UYAOXDASSA-N 1 0 417.575 2.336 20 0 HEADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000766963719 1079558660 /nfs/dbraw/zinc/55/86/60/1079558660.db2.gz MGAXYXRJPAQEAZ-OALUTQOASA-N 1 0 401.551 2.383 20 0 HEADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NCCc2nc3ccccc3s2)cn1 ZINC000766963322 1079559791 /nfs/dbraw/zinc/55/97/91/1079559791.db2.gz WVBGXWVGAAEOTG-WMZOPIPTSA-N 1 0 413.547 2.277 20 0 HEADRO CCC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC[N@@H+]1CCOC ZINC000766967597 1079561854 /nfs/dbraw/zinc/56/18/54/1079561854.db2.gz KWRLPNGNNDFSEF-DENIHFKCSA-N 1 0 418.582 2.283 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)c1ccsc1 ZINC000771921023 1079573319 /nfs/dbraw/zinc/57/33/19/1079573319.db2.gz JXPJKTHPWSGZIT-GOSISDBHSA-N 1 0 417.535 2.098 20 0 HEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000804346269 1079580236 /nfs/dbraw/zinc/58/02/36/1079580236.db2.gz XOGZCHCJUDAAMZ-JOCHJYFZSA-N 1 0 407.514 2.044 20 0 HEADRO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1nc2ccccc2s1 ZINC000767018625 1079591034 /nfs/dbraw/zinc/59/10/34/1079591034.db2.gz NMRVJIGVWKCRSL-GOEBONIOSA-N 1 0 401.536 2.305 20 0 HEADRO Cn1ccc([C@H]2NC(=O)N(c3ccc(NC(=O)C[NH+]4CCCCCCC4)cc3)C2=O)n1 ZINC000771966928 1079613174 /nfs/dbraw/zinc/61/31/74/1079613174.db2.gz RKXUQZWYPAWOJC-HXUWFJFHSA-N 1 0 424.505 2.422 20 0 HEADRO CC(C)(C)OC(=O)NCC[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1 ZINC000767034008 1079617882 /nfs/dbraw/zinc/61/78/82/1079617882.db2.gz GXRKUZSEUFRMDB-UHFFFAOYSA-N 1 0 404.511 2.344 20 0 HEADRO C[C@H](CNS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000767081539 1079652783 /nfs/dbraw/zinc/65/27/83/1079652783.db2.gz RCOVSUALCFMKPL-HZPDHXFCSA-N 1 0 403.589 2.426 20 0 HEADRO Cc1c(-c2cc(CON=C(N)c3ccccc3C[NH+]3CCC(O)CC3)on2)cnn1C ZINC000767099601 1079656144 /nfs/dbraw/zinc/65/61/44/1079656144.db2.gz ZGBIJGWMGJLKIU-UHFFFAOYSA-N 1 0 424.505 2.387 20 0 HEADRO Cc1ccc(N2C(=O)c3ccccc3/C(=C/NC[C@H]3C[NH+]4CCN3CC4)C2=O)cc1C ZINC000746522007 1079657015 /nfs/dbraw/zinc/65/70/15/1079657015.db2.gz JFASNFIITABBRX-QFVADWCQSA-N 1 0 416.525 2.421 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)C1 ZINC000772045825 1079666898 /nfs/dbraw/zinc/66/68/98/1079666898.db2.gz JCWBMKLWEALAQR-SJORKVTESA-N 1 0 415.600 2.202 20 0 HEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000767095390 1079675263 /nfs/dbraw/zinc/67/52/63/1079675263.db2.gz HDUZIGLFGSAHHM-RBUKOAKNSA-N 1 0 412.534 2.381 20 0 HEADRO CCC[C@@H]1CN(C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC[N@@H+]1CCOC ZINC000767122822 1079689257 /nfs/dbraw/zinc/68/92/57/1079689257.db2.gz JGVVXJHCFJIXFU-QULHZPMSSA-N 1 0 415.538 2.278 20 0 HEADRO Cc1ccc(N2C(=O)NC3(Cc4ccccc4C3)C2=O)cc1NC(=O)CC[NH+](C)C ZINC000772102218 1079690777 /nfs/dbraw/zinc/69/07/77/1079690777.db2.gz MZYBBSNTXRBSBI-UHFFFAOYSA-N 1 0 406.486 2.479 20 0 HEADRO CCC[C@H]1CN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1CCOC ZINC000767124141 1079691567 /nfs/dbraw/zinc/69/15/67/1079691567.db2.gz VXJSRFOCZWVXQI-POGDKVGISA-N 1 0 409.552 2.031 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000767163282 1079701327 /nfs/dbraw/zinc/70/13/27/1079701327.db2.gz GAZHWYIELQSNDJ-LSDHHAIUSA-N 1 0 414.597 2.326 20 0 HEADRO CS(=O)(=O)Nc1ccc(/C=C\C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000772198343 1079757927 /nfs/dbraw/zinc/75/79/27/1079757927.db2.gz BPFMTLQAXOXORW-DAXSKMNVSA-N 1 0 414.531 2.499 20 0 HEADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000772198437 1079758021 /nfs/dbraw/zinc/75/80/21/1079758021.db2.gz DUVBPUCQSXFOQT-UHFFFAOYSA-N 1 0 418.519 2.106 20 0 HEADRO CN(C)S(=O)(=O)c1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000772200928 1079759652 /nfs/dbraw/zinc/75/96/52/1079759652.db2.gz SAQLSOPEJAZGTR-UHFFFAOYSA-N 1 0 420.510 2.117 20 0 HEADRO CC(C)c1ccc(N2Cc3ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc3C2)cc1 ZINC000772203207 1079763541 /nfs/dbraw/zinc/76/35/41/1079763541.db2.gz WZMGHSRYIYVNDD-QFIPXVFZSA-N 1 0 424.545 2.307 20 0 HEADRO COC(=O)/C=C/c1ccc(OCC[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000767297170 1079798173 /nfs/dbraw/zinc/79/81/73/1079798173.db2.gz SSKODBGPSLBBIU-MZEUMTGBSA-N 1 0 410.536 2.045 20 0 HEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000772283000 1079810137 /nfs/dbraw/zinc/81/01/37/1079810137.db2.gz WEBKOBPKDPNXBG-LJQANCHMSA-N 1 0 424.501 2.444 20 0 HEADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000767346401 1079824496 /nfs/dbraw/zinc/82/44/96/1079824496.db2.gz KEGTTXFZYGTFPY-PWRODBHTSA-N 1 0 417.550 2.385 20 0 HEADRO COC(=O)c1n[nH]c2ccc(NC(=O)NCC3([NH+]4CCCC4)CCOCC3)cc21 ZINC000772331146 1079825545 /nfs/dbraw/zinc/82/55/45/1079825545.db2.gz MDNNEUIFIIEOQI-UHFFFAOYSA-N 1 0 401.467 2.116 20 0 HEADRO 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20 0 HEADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@@]2(O)CCc3ccccc3C2)cc1 ZINC000786144642 1080420536 /nfs/dbraw/zinc/42/05/36/1080420536.db2.gz PYUDMLPQFLMFTL-XMMPIXPASA-N 1 0 407.514 2.371 20 0 HEADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768222184 1080427561 /nfs/dbraw/zinc/42/75/61/1080427561.db2.gz FRUKYXUZWLHVCV-ICSRJNTNSA-N 1 0 410.603 2.018 20 0 HEADRO C[C@@]1(CNC(=O)C(=O)NCCc2cn3ccccc3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000786156089 1080431298 /nfs/dbraw/zinc/43/12/98/1080431298.db2.gz NCFFCOHAUDVIHH-DEOSSOPVSA-N 1 0 419.529 2.021 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000786161004 1080434421 /nfs/dbraw/zinc/43/44/21/1080434421.db2.gz DEDDYQRHMDNMSN-IRXDYDNUSA-N 1 0 411.955 2.206 20 0 HEADRO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)ccc1OC(=O)C1CC1 ZINC000768233886 1080434441 /nfs/dbraw/zinc/43/44/41/1080434441.db2.gz APUVTJAQVWYFQO-GOSISDBHSA-N 1 0 402.491 2.081 20 0 HEADRO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2I)C1)N1CCOCC1 ZINC000768234974 1080435261 /nfs/dbraw/zinc/43/52/61/1080435261.db2.gz UKUKASYQPIALTJ-OAHLLOKOSA-N 1 0 414.287 2.362 20 0 HEADRO 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 ZINC000768248107 1080438924 /nfs/dbraw/zinc/43/89/24/1080438924.db2.gz JHYCTGWQQVMVLL-ZCRFILTFSA-N 1 0 405.539 2.190 20 0 HEADRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768250870 1080439498 /nfs/dbraw/zinc/43/94/98/1080439498.db2.gz CSSWYIZLEINEAW-DZFGPLHGSA-N 1 0 406.523 2.180 20 0 HEADRO COc1cccc(/C=C(/C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)n2nnnc2C)c1 ZINC000786188455 1080464942 /nfs/dbraw/zinc/46/49/42/1080464942.db2.gz FWMSOSFWWMAMCQ-RGEXLXHISA-N 1 0 422.493 2.090 20 0 HEADRO CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)ccc1F ZINC000786200770 1080469368 /nfs/dbraw/zinc/46/93/68/1080469368.db2.gz OWFOSJUFRBLSAL-UHFFFAOYSA-N 1 0 423.514 2.228 20 0 HEADRO C[C@H]1[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000786172811 1080478423 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OPEWEJNXSXONLN-UHFFFAOYSA-N 1 0 420.579 2.090 20 0 HEADRO COCC[C@H]1CCCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000768371838 1080519819 /nfs/dbraw/zinc/51/98/19/1080519819.db2.gz SESGJHHEOHTFFG-LJQANCHMSA-N 1 0 416.566 2.432 20 0 HEADRO C[NH+]1CCC(C)(CNC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)CC1 ZINC000768411863 1080530982 /nfs/dbraw/zinc/53/09/82/1080530982.db2.gz TVIOWHDGHSAAJW-ALOPSCKCSA-N 1 0 407.555 2.297 20 0 HEADRO C=CC(=O)NCc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000768423879 1080545405 /nfs/dbraw/zinc/54/54/05/1080545405.db2.gz DERDGCHIKRFRHM-JOCHJYFZSA-N 1 0 407.514 2.376 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000786266117 1080549513 /nfs/dbraw/zinc/54/95/13/1080549513.db2.gz FIVMIHYVCHTIFX-IBGZPJMESA-N 1 0 403.523 2.357 20 0 HEADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)[NH+](C)C)c1 ZINC000786269805 1080551197 /nfs/dbraw/zinc/55/11/97/1080551197.db2.gz SCMVLHRYKBEKAD-CQSZACIVSA-N 1 0 410.396 2.467 20 0 HEADRO Cc1c(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cccc1N1CCNC1=O ZINC000786313124 1080558561 /nfs/dbraw/zinc/55/85/61/1080558561.db2.gz PHFQQVSDGMABDH-KRWDZBQOSA-N 1 0 401.511 2.290 20 0 HEADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000786392897 1080583837 /nfs/dbraw/zinc/58/38/37/1080583837.db2.gz OTEWUFQEOUOYIN-UHFFFAOYSA-N 1 0 424.586 2.273 20 0 HEADRO CC(C)(C)OC(=O)NC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000786392914 1080583914 /nfs/dbraw/zinc/58/39/14/1080583914.db2.gz PAUQYKPQUCLWHA-IRXDYDNUSA-N 1 0 422.570 2.073 20 0 HEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786394905 1080584840 /nfs/dbraw/zinc/58/48/40/1080584840.db2.gz YDHIVJKGSQQCDD-KRWDZBQOSA-N 1 0 424.586 2.321 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000786397845 1080585903 /nfs/dbraw/zinc/58/59/03/1080585903.db2.gz PDJRWRQRGBCBIN-TZIWHRDSSA-N 1 0 409.486 2.292 20 0 HEADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786407518 1080588564 /nfs/dbraw/zinc/58/85/64/1080588564.db2.gz CLWGMSNNTKWJSX-UHFFFAOYSA-N 1 0 412.575 2.129 20 0 HEADRO CC(C)N(C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)C1CCCC1 ZINC001109305444 1080588949 /nfs/dbraw/zinc/58/89/49/1080588949.db2.gz JHVBUSCXNYAYNG-JFHUYLGKSA-N 1 0 404.599 2.228 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000786419791 1080593577 /nfs/dbraw/zinc/59/35/77/1080593577.db2.gz JCMNPOHVHCDEDP-DYESRHJHSA-N 1 0 423.513 2.367 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000786423763 1080595379 /nfs/dbraw/zinc/59/53/79/1080595379.db2.gz JNSSRZXDCDYDSO-IBGZPJMESA-N 1 0 401.507 2.208 20 0 HEADRO COc1cc(N[C@H]2CCC[N@H+](CCc3ccc(S(N)(=O)=O)cc3)C2)cc(OC)c1 ZINC000768557595 1080628568 /nfs/dbraw/zinc/62/85/68/1080628568.db2.gz WFDNPYWDGDNLNE-KRWDZBQOSA-N 1 0 419.547 2.470 20 0 HEADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C[C@H](O)C[NH+]1CCCC1 ZINC000786450363 1080635803 /nfs/dbraw/zinc/63/58/03/1080635803.db2.gz HUNHKMRFOMBKBK-INIZCTEOSA-N 1 0 415.372 2.487 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000768580983 1080645248 /nfs/dbraw/zinc/64/52/48/1080645248.db2.gz MZHFJFOQBMXXRY-CBGDNZLLSA-N 1 0 413.534 2.220 20 0 HEADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc(Cl)nc1 ZINC000786600563 1080702676 /nfs/dbraw/zinc/70/26/76/1080702676.db2.gz CCXDIKMOLBCCBP-GOSISDBHSA-N 1 0 400.910 2.332 20 0 HEADRO O=C(NCc1ccc(Cl)nc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000786606513 1080706549 /nfs/dbraw/zinc/70/65/49/1080706549.db2.gz VOUALDHCOKCNFI-UHFFFAOYSA-N 1 0 400.910 2.380 20 0 HEADRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000768675023 1080710613 /nfs/dbraw/zinc/71/06/13/1080710613.db2.gz VXUCMRQCEIQTSA-ATZDWAIDSA-N 1 0 421.538 2.219 20 0 HEADRO CN(C(=O)C(=O)NCc1ccc(Cl)nc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000786620533 1080715346 /nfs/dbraw/zinc/71/53/46/1080715346.db2.gz ODDIIXLNJTYNGX-SFHVURJKSA-N 1 0 400.910 2.474 20 0 HEADRO CN(C(=O)C(=O)NCc1ccc(Cl)nc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000786620532 1080715431 /nfs/dbraw/zinc/71/54/31/1080715431.db2.gz ODDIIXLNJTYNGX-GOSISDBHSA-N 1 0 400.910 2.474 20 0 HEADRO O=C(NCc1ccc(Cl)nc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000786622019 1080716072 /nfs/dbraw/zinc/71/60/72/1080716072.db2.gz WJVMHMCBOBKGTQ-GOSISDBHSA-N 1 0 400.910 2.032 20 0 HEADRO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2nccn2C)C1)[NH+]1CCCCCC1 ZINC000786626909 1080720832 /nfs/dbraw/zinc/72/08/32/1080720832.db2.gz KLXMJCQWGFQKTL-MOPGFXCFSA-N 1 0 403.571 2.143 20 0 HEADRO C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000768719760 1080736766 /nfs/dbraw/zinc/73/67/66/1080736766.db2.gz GPVNLXYAOIDKPZ-CQSZACIVSA-N 1 0 420.429 2.040 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000768688861 1080748259 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ZINC000787122960 1081034197 /nfs/dbraw/zinc/03/41/97/1081034197.db2.gz STRXKDZXZADLAF-MRXNPFEDSA-N 1 0 404.308 2.302 20 0 HEADRO CNC(=O)COc1ccc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)cc1OC ZINC000772695788 1081035797 /nfs/dbraw/zinc/03/57/97/1081035797.db2.gz BVACXWALOHTDQB-UHFFFAOYSA-N 1 0 416.474 2.482 20 0 HEADRO Cc1noc(C)c1CCCNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000787159880 1081036934 /nfs/dbraw/zinc/03/69/34/1081036934.db2.gz ORYJJZNZMZHALK-UHFFFAOYSA-N 1 0 400.523 2.497 20 0 HEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000787164425 1081040841 /nfs/dbraw/zinc/04/08/41/1081040841.db2.gz SIHCBTQGSWMVQG-MRXNPFEDSA-N 1 0 410.559 2.281 20 0 HEADRO COc1cc(C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc2c1OCO2 ZINC000769332564 1081044985 /nfs/dbraw/zinc/04/49/85/1081044985.db2.gz KWTINNFPSCGLMU-UHFFFAOYSA-N 1 0 407.511 2.408 20 0 HEADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000769337728 1081047490 /nfs/dbraw/zinc/04/74/90/1081047490.db2.gz OEBFQMIMURSQDN-DOMZBBRYSA-N 1 0 407.383 2.312 20 0 HEADRO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000746660791 1081054771 /nfs/dbraw/zinc/05/47/71/1081054771.db2.gz ACPXSEXUDSRSKU-INIZCTEOSA-N 1 0 411.543 2.119 20 0 HEADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000787194302 1081058096 /nfs/dbraw/zinc/05/80/96/1081058096.db2.gz ZJWYOJABILMGSM-UHFFFAOYSA-N 1 0 421.545 2.280 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000769385353 1081060181 /nfs/dbraw/zinc/06/01/81/1081060181.db2.gz QZYRITSREWBGOA-GOSISDBHSA-N 1 0 403.523 2.486 20 0 HEADRO OCC[N@H+](CCOCC(F)(F)F)Cc1cc2ccccc2nc1N1CCOCC1 ZINC000769388877 1081060397 /nfs/dbraw/zinc/06/03/97/1081060397.db2.gz NORYLKDLCCGSEU-UHFFFAOYSA-N 1 0 413.440 2.445 20 0 HEADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)C1 ZINC000787255397 1081073651 /nfs/dbraw/zinc/07/36/51/1081073651.db2.gz HZXWZTXAEBRTMB-FQEVSTJZSA-N 1 0 418.538 2.055 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787225348 1081078190 /nfs/dbraw/zinc/07/81/90/1081078190.db2.gz IGOPMMRBRBXYHG-QZTJIDSGSA-N 1 0 406.502 2.417 20 0 HEADRO C[C@@H]1CN(CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000787227740 1081078701 /nfs/dbraw/zinc/07/87/01/1081078701.db2.gz MSXMBZTWNSPMBW-WRWLIDTKSA-N 1 0 424.511 2.335 20 0 HEADRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000769489218 1081080518 /nfs/dbraw/zinc/08/05/18/1081080518.db2.gz JHEZWJVKFLNQBC-FUHWJXTLSA-N 1 0 421.538 2.316 20 0 HEADRO COc1cc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1OC(C)C ZINC000787232466 1081081074 /nfs/dbraw/zinc/08/10/74/1081081074.db2.gz DSQZUDQSCVNWPX-GOSISDBHSA-N 1 0 403.523 2.185 20 0 HEADRO COc1cc(CNC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1OC(C)C ZINC000787239438 1081085752 /nfs/dbraw/zinc/08/57/52/1081085752.db2.gz LPZBHVZRYHCDGT-DLBZAZTESA-N 1 0 405.539 2.335 20 0 HEADRO [NH3+]CCN(c1nc(Cl)nc2c1CCS2)S(=O)(=O)c1cccc2cnccc21 ZINC001170071412 1081087194 /nfs/dbraw/zinc/08/71/94/1081087194.db2.gz UEZSLFUQVCXMQQ-UHFFFAOYSA-N 1 0 421.935 2.480 20 0 HEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769473066 1081091231 /nfs/dbraw/zinc/09/12/31/1081091231.db2.gz RYZLMVZPYYQROC-HNNXBMFYSA-N 1 0 411.493 2.434 20 0 HEADRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000769540360 1081094156 /nfs/dbraw/zinc/09/41/56/1081094156.db2.gz PDEAFEVOYSUUGQ-BFUOFWGJSA-N 1 0 424.423 2.225 20 0 HEADRO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000769493946 1081096091 /nfs/dbraw/zinc/09/60/91/1081096091.db2.gz CADIVEDOJLFDIF-DOTOQJQBSA-N 1 0 402.499 2.166 20 0 HEADRO C[C@H]1CN(CCNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769501572 1081098914 /nfs/dbraw/zinc/09/89/14/1081098914.db2.gz BPXAQCFYNWQZIJ-YOEHRIQHSA-N 1 0 402.461 2.328 20 0 HEADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000769507395 1081101225 /nfs/dbraw/zinc/10/12/25/1081101225.db2.gz AOXNQZVNIXDQNI-WBVHZDCISA-N 1 0 403.589 2.474 20 0 HEADRO O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787270656 1081102414 /nfs/dbraw/zinc/10/24/14/1081102414.db2.gz JXCDTBCZZNQLRQ-JKSUJKDBSA-N 1 0 421.567 2.284 20 0 HEADRO O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787270654 1081102477 /nfs/dbraw/zinc/10/24/77/1081102477.db2.gz JXCDTBCZZNQLRQ-HZPDHXFCSA-N 1 0 421.567 2.284 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000769516349 1081104808 /nfs/dbraw/zinc/10/48/08/1081104808.db2.gz SVPYPGPJRKFICE-DLBZAZTESA-N 1 0 415.003 2.368 20 0 HEADRO CC[N@H+](CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)CC(=O)NC ZINC000746670372 1081105351 /nfs/dbraw/zinc/10/53/51/1081105351.db2.gz GHWFHAXIRGFCCL-FQEVSTJZSA-N 1 0 403.548 2.473 20 0 HEADRO CCCn1c(=O)cc(Nc2cc(/C=C/[NH+](C)C)c(OCOC)cn2)n(CCC)c1=O ZINC001170007369 1081129860 /nfs/dbraw/zinc/12/98/60/1081129860.db2.gz JPLBJHUILRCXKV-DHZHZOJOSA-N 1 0 417.510 2.484 20 0 HEADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1Cl ZINC000769612244 1081170095 /nfs/dbraw/zinc/17/00/95/1081170095.db2.gz DQXWFFSXFJHGPB-GDBMZVCRSA-N 1 0 415.943 2.078 20 0 HEADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164391097 718830484 /nfs/dbraw/zinc/83/04/84/718830484.db2.gz ITGUHMWMJJQCRV-SFHVURJKSA-N 1 0 405.502 2.311 20 0 HEADRO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164400268 718843866 /nfs/dbraw/zinc/84/38/66/718843866.db2.gz VAUFREUTSSOPAS-OAHLLOKOSA-N 1 0 407.909 2.348 20 0 HEADRO COc1ccccc1-c1cc(C(F)(F)N2CCN3CC[NH2+]C[C@@H]3C2)c(Cl)nn1 ZINC001164399823 718844093 /nfs/dbraw/zinc/84/40/93/718844093.db2.gz HHCWJLWHNCNILG-CYBMUJFWSA-N 1 0 409.868 2.444 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164435198 718969765 /nfs/dbraw/zinc/96/97/65/718969765.db2.gz ZZKZTTWKKLOVNX-OLZOCXBDSA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164435110 718970135 /nfs/dbraw/zinc/97/01/35/718970135.db2.gz ZCQOUJLYLPBMRZ-QWHCGFSZSA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(C(=O)OC)n3)CC2)CC1 ZINC001164613791 719021273 /nfs/dbraw/zinc/02/12/73/719021273.db2.gz DVMJRQXWWNUKQQ-UHFFFAOYSA-N 1 0 410.902 2.161 20 0 HEADRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@@H]3O2)n1 ZINC001164642721 719260139 /nfs/dbraw/zinc/26/01/39/719260139.db2.gz YPMAMQXELBHINI-IHPCNDPISA-N 1 0 423.565 2.498 20 0 HEADRO Cn1ncc2c1CN(c1cccc(N3CC[NH+](C)CC3)n1)C[C@H]2COc1cccnc1 ZINC001164682423 719597495 /nfs/dbraw/zinc/59/74/95/719597495.db2.gz BTUOOVMJQQCFGV-SFHVURJKSA-N 1 0 419.533 2.145 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)CC2 ZINC001164686054 719704975 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VXUMEGPNISDLHT-PGRDOPGGSA-N 1 0 405.539 2.050 20 0 HEADRO Cn1nnc2c1CCN(c1nc(C3CC3)nc3[nH]ccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164713423 720203816 /nfs/dbraw/zinc/20/38/16/720203816.db2.gz BZXQJIXCBKLADP-SFHVURJKSA-N 1 0 422.537 2.180 20 0 HEADRO COc1cnc(SC)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164815315 720213150 /nfs/dbraw/zinc/21/31/50/720213150.db2.gz YVINFSHPOIUVOT-UHFFFAOYSA-N 1 0 404.540 2.014 20 0 HEADRO CCOC(=O)c1cc(F)cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814042 720214163 /nfs/dbraw/zinc/21/41/63/720214163.db2.gz RZZOVODGAZFTAT-UHFFFAOYSA-N 1 0 417.485 2.205 20 0 HEADRO Cc1noc(-c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc2)n1 ZINC001164813884 720238245 /nfs/dbraw/zinc/23/82/45/720238245.db2.gz QVLZLCNOACAJDB-UHFFFAOYSA-N 1 0 409.494 2.247 20 0 HEADRO CCOC(=O)c1ccc(C)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164817715 720286574 /nfs/dbraw/zinc/28/65/74/720286574.db2.gz FNUXTZYWRYAQDQ-UXHICEINSA-N 1 0 414.550 2.478 20 0 HEADRO COC(=O)c1ccc(Cl)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164820518 720288200 /nfs/dbraw/zinc/28/82/00/720288200.db2.gz VWQDPPJWIJNGAN-IRXDYDNUSA-N 1 0 420.941 2.433 20 0 HEADRO COC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164820515 720288320 /nfs/dbraw/zinc/28/83/20/720288320.db2.gz VWQDPPJWIJNGAN-IAGOWNOFSA-N 1 0 420.941 2.433 20 0 HEADRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164821983 720294636 /nfs/dbraw/zinc/29/46/36/720294636.db2.gz MDFQQEATNZGMQV-OALUTQOASA-N 1 0 400.523 2.170 20 0 HEADRO COC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164824530 720295714 /nfs/dbraw/zinc/29/57/14/720295714.db2.gz RKPYZKZTYBWRGG-IAGOWNOFSA-N 1 0 420.941 2.433 20 0 HEADRO COC(=O)c1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C)c1 ZINC001164821606 720307923 /nfs/dbraw/zinc/30/79/23/720307923.db2.gz LFDNIJMLHPSSAQ-OALUTQOASA-N 1 0 400.523 2.088 20 0 HEADRO COC(=O)c1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1C ZINC001164823851 720324243 /nfs/dbraw/zinc/32/42/43/720324243.db2.gz BKLDKIMBNJKTRU-MOPGFXCFSA-N 1 0 400.523 2.088 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(N3CCCCC3)n2)CC1 ZINC001164825468 720327267 /nfs/dbraw/zinc/32/72/67/720327267.db2.gz FGWYMURSZICHFL-WOJBJXKFSA-N 1 0 412.582 2.378 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3ccccn3)ncn2)CC1 ZINC001164826005 720341953 /nfs/dbraw/zinc/34/19/53/720341953.db2.gz KBYZJKSWQORDRB-NHCUHLMSSA-N 1 0 406.534 2.450 20 0 HEADRO COC(=O)c1ccc2nc(Cl)c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nc2c1 ZINC001164729960 720507381 /nfs/dbraw/zinc/50/73/81/720507381.db2.gz LGVWYRLKDCHOLA-CYBMUJFWSA-N 1 0 414.897 2.464 20 0 HEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2CN(Cc2ccccc2)CC3)C1 ZINC001164732248 720508104 /nfs/dbraw/zinc/50/81/04/720508104.db2.gz UCTTXEUWFINYCO-HXUWFJFHSA-N 1 0 417.561 2.429 20 0 HEADRO COC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836046 720510047 /nfs/dbraw/zinc/51/00/47/720510047.db2.gz LWTSCNKKLPMZNX-ZMSDIMECSA-N 1 0 418.929 2.491 20 0 HEADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164726668 720515908 /nfs/dbraw/zinc/51/59/08/720515908.db2.gz CRCALAPEQWNIQU-CYBMUJFWSA-N 1 0 414.897 2.464 20 0 HEADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3S(C)(=O)=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834429 720525082 /nfs/dbraw/zinc/52/50/82/720525082.db2.gz GIUCVTWBMIGNCF-OKZBNKHCSA-N 1 0 403.552 2.059 20 0 HEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN([C@@](F)(COc2cncc(Cl)n2)C(F)F)C1 ZINC001164733832 720526959 /nfs/dbraw/zinc/52/69/59/720526959.db2.gz LVVCZGSRPWMSJU-PXAZEXFGSA-N 1 0 418.851 2.330 20 0 HEADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164837278 720559503 /nfs/dbraw/zinc/55/95/03/720559503.db2.gz LOQLKHLRXQAULF-LZLYRXPVSA-N 1 0 423.521 2.319 20 0 HEADRO FC(F)(COc1ccc(Cl)nn1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736816 720581687 /nfs/dbraw/zinc/58/16/87/720581687.db2.gz UVGJZYBWBKQPPC-UHFFFAOYSA-N 1 0 412.872 2.452 20 0 HEADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736280 720583597 /nfs/dbraw/zinc/58/35/97/720583597.db2.gz GMJBWOQCQJKVFF-UHFFFAOYSA-N 1 0 422.871 2.358 20 0 HEADRO CCOC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164738160 720604716 /nfs/dbraw/zinc/60/47/16/720604716.db2.gz ALPXPMPFOOOIRC-LSDHHAIUSA-N 1 0 403.870 2.044 20 0 HEADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n1)CSCC2 ZINC001164743648 720634649 /nfs/dbraw/zinc/63/46/49/720634649.db2.gz PXGJRSAMEUYCGI-CHWSQXEVSA-N 1 0 404.927 2.051 20 0 HEADRO Clc1cc(-c2ccncc2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164738148 720635558 /nfs/dbraw/zinc/63/55/58/720635558.db2.gz ALACVPUNYCEAFG-JKSUJKDBSA-N 1 0 409.881 2.324 20 0 HEADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(N)=O)nc(C4CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843176 720650153 /nfs/dbraw/zinc/65/01/53/720650153.db2.gz UNTMZZZWFKBIMT-JENIJYKNSA-N 1 0 409.538 2.027 20 0 HEADRO Clc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742630 720668012 /nfs/dbraw/zinc/66/80/12/720668012.db2.gz WERIESRKVZZHFF-CVEARBPZSA-N 1 0 409.881 2.324 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc(C(N)=O)n1)CC2 ZINC001164843372 720681458 /nfs/dbraw/zinc/68/14/58/720681458.db2.gz OWNGYHDRPOFLCN-INIZCTEOSA-N 1 0 415.925 2.489 20 0 HEADRO COc1cc2nc(C)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC ZINC001164738981 720698834 /nfs/dbraw/zinc/69/88/34/720698834.db2.gz LSXGTBYNENFALZ-JKSUJKDBSA-N 1 0 422.489 2.087 20 0 HEADRO COC(=O)C[C@H](c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1)C1CC1 ZINC001164737928 720752079 /nfs/dbraw/zinc/75/20/79/720752079.db2.gz DMUSPLCQAFSWKH-ZJOUEHCJSA-N 1 0 423.517 2.270 20 0 HEADRO COC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739909 720771069 /nfs/dbraw/zinc/77/10/69/720771069.db2.gz JPOHETLICUOERJ-SJORKVTESA-N 1 0 405.458 2.153 20 0 HEADRO COC(=O)c1cccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc21 ZINC001164751157 720791411 /nfs/dbraw/zinc/79/14/11/720791411.db2.gz XCRICPXBHHQHAW-JKSUJKDBSA-N 1 0 405.458 2.153 20 0 HEADRO CCCSc1ncnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1OC ZINC001164752536 720804561 /nfs/dbraw/zinc/80/45/61/720804561.db2.gz ZBLMCPYCLPVSRV-HUUCEWRRSA-N 1 0 402.524 2.119 20 0 HEADRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C)c1 ZINC001164739133 720820822 /nfs/dbraw/zinc/82/08/22/720820822.db2.gz HGCAOLSIOVNCPN-SLFFLAALSA-N 1 0 410.522 2.148 20 0 HEADRO COC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164746795 720824445 /nfs/dbraw/zinc/82/44/45/720824445.db2.gz ZDKFPRWMLRPHFE-WSTZPKSXSA-N 1 0 410.522 2.148 20 0 HEADRO COc1c(Cl)nc(C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740163 720828428 /nfs/dbraw/zinc/82/84/28/720828428.db2.gz JFVHZKANMWSFHP-GVDBMIGSSA-N 1 0 417.945 2.418 20 0 HEADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)CC[C@H]2C1 ZINC001164846366 720832726 /nfs/dbraw/zinc/83/27/26/720832726.db2.gz DTPQTTBTNCJONN-AAEUAGOBSA-N 1 0 400.310 2.438 20 0 HEADRO CCN(CC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164741185 720839208 /nfs/dbraw/zinc/83/92/08/720839208.db2.gz DSAXBLCAVCMTOY-XUVXKRRUSA-N 1 0 410.570 2.294 20 0 HEADRO Fc1nc(F)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164745761 720844608 /nfs/dbraw/zinc/84/46/08/720844608.db2.gz NFLUYNNAKLQHPQ-MGPQQGTHSA-N 1 0 409.872 2.379 20 0 HEADRO CC(C)COc1cncc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742987 720849841 /nfs/dbraw/zinc/84/98/41/720849841.db2.gz HQYRTHQXLHLEPV-VAMGGRTRSA-N 1 0 411.554 2.482 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4cc(Cl)c(OC)cc43)CC[C@H]2C1 ZINC001164855419 720856532 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414.897 2.434 20 0 HEADRO CSc1ccc2ncnc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c2c1 ZINC001164754129 720968459 /nfs/dbraw/zinc/96/84/59/720968459.db2.gz MLSQNSWYQOPRDP-UHFFFAOYSA-N 1 0 412.519 2.194 20 0 HEADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2cc(C[NH+](C)C)ccn2)C1 ZINC001164763568 721016516 /nfs/dbraw/zinc/01/65/16/721016516.db2.gz YEQGLEOFJXOPRK-HMXCVIKNSA-N 1 0 409.534 2.181 20 0 HEADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164867442 721042615 /nfs/dbraw/zinc/04/26/15/721042615.db2.gz JECVLOYTAZZIFM-DLBZAZTESA-N 1 0 402.882 2.396 20 0 HEADRO COC(=O)c1ccc2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164869954 721056846 /nfs/dbraw/zinc/05/68/46/721056846.db2.gz USSQXPXTZZXMAJ-PMACEKPBSA-N 1 0 419.485 2.291 20 0 HEADRO CCOC(=O)c1c[nH]c2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164871031 721063377 /nfs/dbraw/zinc/06/33/77/721063377.db2.gz XWDPFTVRAMUYRI-SJORKVTESA-N 1 0 422.489 2.009 20 0 HEADRO CCOC(=O)c1nnc(Cl)cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865940 721080060 /nfs/dbraw/zinc/08/00/60/721080060.db2.gz QCLNLEXYXUVHSL-HZPDHXFCSA-N 1 0 417.897 2.181 20 0 HEADRO CC(C)(C)NC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865126 721118994 /nfs/dbraw/zinc/11/89/94/721118994.db2.gz INOSHPPSDDGGIP-PMACEKPBSA-N 1 0 409.534 2.485 20 0 HEADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880964 721122344 /nfs/dbraw/zinc/12/23/44/721122344.db2.gz YIUSZKAYWWNQME-JVRGAZCGSA-N 1 0 408.502 2.451 20 0 HEADRO CCOC(=O)c1cnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1OCC ZINC001164766397 721127257 /nfs/dbraw/zinc/12/72/57/721127257.db2.gz KZOJDVFPGCPXSG-QZTJIDSGSA-N 1 0 413.522 2.349 20 0 HEADRO CCOC(=O)c1cnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1OCC ZINC001164766396 721128766 /nfs/dbraw/zinc/12/87/66/721128766.db2.gz KZOJDVFPGCPXSG-MSOLQXFVSA-N 1 0 413.522 2.349 20 0 HEADRO [O-][n+]1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1Cl ZINC001164867797 721191371 /nfs/dbraw/zinc/19/13/71/721191371.db2.gz IBLMYAIMFRPNRM-SJORKVTESA-N 1 0 410.852 2.393 20 0 HEADRO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)no1 ZINC001164762048 721192211 /nfs/dbraw/zinc/19/22/11/721192211.db2.gz CDXLWVHWIXAADM-ROUUACIJSA-N 1 0 421.505 2.322 20 0 HEADRO COc1cc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(Cl)n1 ZINC001164761472 721243033 /nfs/dbraw/zinc/24/30/33/721243033.db2.gz ISZAXDQXEVBUAP-KBPBESRZSA-N 1 0 412.872 2.375 20 0 HEADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164769721 721243716 /nfs/dbraw/zinc/24/37/16/721243716.db2.gz ZINQCFYEOKTJPC-BMFZPTHFSA-N 1 0 418.929 2.098 20 0 HEADRO CCc1cc2c(ncnc2N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)s1 ZINC001164868955 721273168 /nfs/dbraw/zinc/27/31/68/721273168.db2.gz HAHGCCIXAIHBAJ-UHFFFAOYSA-N 1 0 417.579 2.261 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc4c(F)cccc43)CC2)C1 ZINC001164873304 721275828 /nfs/dbraw/zinc/27/58/28/721275828.db2.gz LAEJOBMHJLYBMJ-UHFFFAOYSA-N 1 0 400.498 2.381 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc4ccc(Cl)cc4n3)CC2)C1 ZINC001164872912 721277932 /nfs/dbraw/zinc/27/79/32/721277932.db2.gz IFXQPFYERLBXQD-UHFFFAOYSA-N 1 0 417.941 2.290 20 0 HEADRO Cc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(C(C)(C)C)n1 ZINC001164877534 721287528 /nfs/dbraw/zinc/28/75/28/721287528.db2.gz NNTKFEZBQYCEHY-UHFFFAOYSA-N 1 0 403.571 2.090 20 0 HEADRO CC(C)c1c(Cl)ncnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164874917 721291563 /nfs/dbraw/zinc/29/15/63/721291563.db2.gz FJVWWOFTQNVTAE-UHFFFAOYSA-N 1 0 409.962 2.260 20 0 HEADRO C[N@H+](Cc1ccc(N2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164879021 721309151 /nfs/dbraw/zinc/30/91/51/721309151.db2.gz MKQQZGHWSRTTSB-OALUTQOASA-N 1 0 412.559 2.433 20 0 HEADRO O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164884168 721343560 /nfs/dbraw/zinc/34/35/60/721343560.db2.gz MSYQPYQDVKLBGG-CVDCTZTESA-N 1 0 414.550 2.068 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cc[nH]c54)C3)O2)CC1 ZINC001164892151 721379134 /nfs/dbraw/zinc/37/91/34/721379134.db2.gz RXONZRKZAXJFKD-MGPUTAFESA-N 1 0 404.946 2.377 20 0 HEADRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1NC(C)C ZINC001164890889 721379206 /nfs/dbraw/zinc/37/92/06/721379206.db2.gz OWNYUTGUZVWQLE-SIKLNZKXSA-N 1 0 402.587 2.371 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5[nH]ccc54)C3)O2)CC1 ZINC001164894502 721379723 /nfs/dbraw/zinc/37/97/23/721379723.db2.gz YLPAXLOKDBTBJF-YWZLYKJASA-N 1 0 404.946 2.377 20 0 HEADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C)c1 ZINC001164894095 721398307 /nfs/dbraw/zinc/39/83/07/721398307.db2.gz XPPIUPUDJFEVKY-NZQKXSOJSA-N 1 0 416.566 2.332 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cnccc54)C3)O2)CC1 ZINC001164891422 721400487 /nfs/dbraw/zinc/40/04/87/721400487.db2.gz WBWUCUVVCVKCLA-IIBYNOLFSA-N 1 0 416.957 2.444 20 0 HEADRO CCOc1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887745 721401313 /nfs/dbraw/zinc/40/13/13/721401313.db2.gz NDMSLBHURFGVRI-UZLBHIALSA-N 1 0 409.962 2.294 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc5c4C(=O)OC5(C)C)C3)O2)CC1 ZINC001164888911 721404833 /nfs/dbraw/zinc/40/48/33/721404833.db2.gz PGOCIJZISLZHCT-HXOBKFHXSA-N 1 0 414.550 2.253 20 0 HEADRO CCOC(=O)c1cc(C)cnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885871 721411966 /nfs/dbraw/zinc/41/19/66/721411966.db2.gz HSKCAHVUVNZVEN-CVDCTZTESA-N 1 0 416.566 2.332 20 0 HEADRO CCOc1c(Cl)ncnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888271 721416668 /nfs/dbraw/zinc/41/66/68/721416668.db2.gz NVXDEPNUHUZILI-OXQOHEQNSA-N 1 0 409.962 2.294 20 0 HEADRO CCOC(=O)c1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1C ZINC001164888787 721416700 /nfs/dbraw/zinc/41/67/00/721416700.db2.gz OQJQAXYFNUMLPA-CVDCTZTESA-N 1 0 416.566 2.332 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccnc(-c5cccnc5)n4)C3)O2)CC1 ZINC001164889440 721419110 /nfs/dbraw/zinc/41/91/10/721419110.db2.gz QNWGNEHLYUCTFY-NFBKMPQASA-N 1 0 408.550 2.304 20 0 HEADRO CC(=O)Nc1c(C)ccnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164889555 721429073 /nfs/dbraw/zinc/42/90/73/721429073.db2.gz BNXRVMKBLPULDP-UGKGYDQZSA-N 1 0 401.555 2.114 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4c(F)nc(F)nc4Cl)C3)O2)CC1 ZINC001164896081 721430940 /nfs/dbraw/zinc/43/09/40/721430940.db2.gz QKXKYSRVBFRLKO-ACJLOTCBSA-N 1 0 401.889 2.174 20 0 HEADRO Cc1noc(-c2cccnc2N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164898747 721435386 /nfs/dbraw/zinc/43/53/86/721435386.db2.gz WUQLDLNNJFQACL-PGRDOPGGSA-N 1 0 412.538 2.205 20 0 HEADRO Cc1noc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc2)n1 ZINC001164894321 721438131 /nfs/dbraw/zinc/43/81/31/721438131.db2.gz LPIJIPIPPTVKOB-KNQAVFIVSA-N 1 0 412.538 2.205 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccnc(-c5nccs5)n4)C3)O2)CC1 ZINC001164886582 721451879 /nfs/dbraw/zinc/45/18/79/721451879.db2.gz HSNJTEWBEKLVCN-DYESRHJHSA-N 1 0 414.579 2.366 20 0 HEADRO O=C([C@@H]1CCO[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]12)N1CCCO1 ZINC001164789053 721482068 /nfs/dbraw/zinc/48/20/68/721482068.db2.gz AISSSIVKGIRLBS-AQNXPRMDSA-N 1 0 400.523 2.073 20 0 HEADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)nc1)C1CC1 ZINC001164791871 721482754 /nfs/dbraw/zinc/48/27/54/721482754.db2.gz KCXIVWGSULWLBA-ZCNNSNEGSA-N 1 0 400.523 2.071 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc(-c4ccncc4)n2)CC3)CC1 ZINC001164795878 721522085 /nfs/dbraw/zinc/52/20/85/721522085.db2.gz UEOVYVNWQBJDJY-UHFFFAOYSA-N 1 0 424.940 2.156 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2c(F)ccc4c(Cl)ncnc42)CC3)CC1 ZINC001164795807 721522647 /nfs/dbraw/zinc/52/26/47/721522647.db2.gz SKAIKSXNQKFIFF-UHFFFAOYSA-N 1 0 415.904 2.386 20 0 HEADRO Cn1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912373 721526966 /nfs/dbraw/zinc/52/69/66/721526966.db2.gz ZHYPVIAECWRDES-HIFRSBDPSA-N 1 0 402.861 2.498 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(CN3CCOCC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164807825 721530345 /nfs/dbraw/zinc/53/03/45/721530345.db2.gz RLMCOCZSRQTEAW-AKFKNWHVSA-N 1 0 423.561 2.177 20 0 HEADRO COC(=O)c1nc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909809 721536745 /nfs/dbraw/zinc/53/67/45/721536745.db2.gz RXIAGBBHEYYUSZ-HIFRSBDPSA-N 1 0 406.845 2.398 20 0 HEADRO COC(=O)c1nc2cnccc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905218 721540709 /nfs/dbraw/zinc/54/07/09/721540709.db2.gz GUUVAMCUHSJBHO-RDJZCZTQSA-N 1 0 423.448 2.292 20 0 HEADRO CCOC(=O)Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164909166 721546355 /nfs/dbraw/zinc/54/63/55/721546355.db2.gz QUWDCKJLERGSQU-HKUYNNGSSA-N 1 0 400.454 2.063 20 0 HEADRO COC(=O)CSc1cncc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909670 721558744 /nfs/dbraw/zinc/55/87/44/721558744.db2.gz UNUYALASVZOFKR-NVXWUHKLSA-N 1 0 418.494 2.223 20 0 HEADRO COCCn1ccc2c1ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164801190 721559083 /nfs/dbraw/zinc/55/90/83/721559083.db2.gz GKJXECDZHFHDHK-ACRUOGEOSA-N 1 0 422.533 2.341 20 0 HEADRO COCCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164903593 721564530 /nfs/dbraw/zinc/56/45/30/721564530.db2.gz CVTPYJHQPRWONA-UYAOXDASSA-N 1 0 415.465 2.366 20 0 HEADRO CCOC(=O)Cc1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164799284 721590597 /nfs/dbraw/zinc/59/05/97/721590597.db2.gz ALCXPGWPPCCVLB-JTAQYXEDSA-N 1 0 410.518 2.450 20 0 HEADRO COC(=O)c1cncnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907318 721707300 /nfs/dbraw/zinc/70/73/00/721707300.db2.gz QSZGTPRMMFSHMP-LJQANCHMSA-N 1 0 403.433 2.396 20 0 HEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(C(N)=O)n3)C[C@H]21 ZINC001165020304 721808523 /nfs/dbraw/zinc/80/85/23/721808523.db2.gz FBWKSTLZHYDNQV-YSVLISHTSA-N 1 0 400.914 2.361 20 0 HEADRO COC(=O)c1ncnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001165021396 721831706 /nfs/dbraw/zinc/83/17/06/721831706.db2.gz FFWBYLAKQATVPC-SZMVWBNQSA-N 1 0 411.506 2.404 20 0 HEADRO COC(=O)c1ncnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001165021387 721831944 /nfs/dbraw/zinc/83/19/44/721831944.db2.gz FFWBYLAKQATVPC-CGTJXYLNSA-N 1 0 411.506 2.404 20 0 HEADRO COC(=O)c1ncnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001165021393 721831965 /nfs/dbraw/zinc/83/19/65/721831965.db2.gz FFWBYLAKQATVPC-RYQLBKOJSA-N 1 0 411.506 2.404 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(CCOC)CCO[C@@H]3C2)nc1 ZINC001164922089 721844802 /nfs/dbraw/zinc/84/48/02/721844802.db2.gz QIDHFERSFKIZKI-NJDAHSKKSA-N 1 0 416.566 2.329 20 0 HEADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c12 ZINC001164919883 721848310 /nfs/dbraw/zinc/84/83/10/721848310.db2.gz DUYIJWCNSVJYON-IAGOWNOFSA-N 1 0 422.533 2.274 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)cc(N2CCCC2)n1 ZINC001164929019 721853348 /nfs/dbraw/zinc/85/33/48/721853348.db2.gz PWQLPELROANMDX-HUUCEWRRSA-N 1 0 414.932 2.490 20 0 HEADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164930316 721859741 /nfs/dbraw/zinc/85/97/41/721859741.db2.gz RHRBKTZDEMCVGY-CABCVRRESA-N 1 0 402.873 2.281 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1CCN(Cc1ccccc1)C2 ZINC001164923396 721860386 /nfs/dbraw/zinc/86/03/86/721860386.db2.gz AGTPSQOZZCOLHT-XZOQPEGZSA-N 1 0 406.578 2.250 20 0 HEADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c(Cl)n1 ZINC001164925199 721861516 /nfs/dbraw/zinc/86/15/16/721861516.db2.gz DLTLOLGSUPUMTQ-CABCVRRESA-N 1 0 402.873 2.281 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2[C@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164930187 721882135 /nfs/dbraw/zinc/88/21/35/721882135.db2.gz CKPLSMAZUJYKNK-OGHNNQOOSA-N 1 0 407.868 2.150 20 0 HEADRO O=C(CO[C@H]1CO[C@@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1)N1CCCC1 ZINC001164939557 721918723 /nfs/dbraw/zinc/91/87/23/721918723.db2.gz UPSZYWVIVRFRHF-OFNKIYASSA-N 1 0 414.550 2.054 20 0 HEADRO c1cc(N2CCOCC2)ccc1-c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nn1 ZINC001165041942 721922957 /nfs/dbraw/zinc/92/29/57/721922957.db2.gz CXGXFUOPEZYUBS-OAQYLSRUSA-N 1 0 409.534 2.281 20 0 HEADRO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]21 ZINC001164949843 722003518 /nfs/dbraw/zinc/00/35/18/722003518.db2.gz AJSVVIRVQXMRRL-RBUKOAKNSA-N 1 0 415.545 2.405 20 0 HEADRO c1cn(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)cn1 ZINC001164959999 722057923 /nfs/dbraw/zinc/05/79/23/722057923.db2.gz CCZSCUVOGYFAFC-UHFFFAOYSA-N 1 0 405.506 2.176 20 0 HEADRO NC(=S)Nc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164962198 722061417 /nfs/dbraw/zinc/06/14/17/722061417.db2.gz POQWEDWDZRMUTL-UHFFFAOYSA-N 1 0 412.563 2.251 20 0 HEADRO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967221 722076116 /nfs/dbraw/zinc/07/61/16/722076116.db2.gz OIEFUGHMLKOVHO-IIYDPXPESA-N 1 0 406.836 2.235 20 0 HEADRO CC(C)OC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164982771 722106752 /nfs/dbraw/zinc/10/67/52/722106752.db2.gz OVXPLHDXPMGUSS-ICSRJNTNSA-N 1 0 411.506 2.164 20 0 HEADRO C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164975604 722120480 /nfs/dbraw/zinc/12/04/80/722120480.db2.gz JZASBJGFCDKGLM-KBAYOESNSA-N 1 0 408.506 2.045 20 0 HEADRO O=C1NCc2c1cc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983758 722127278 /nfs/dbraw/zinc/12/72/78/722127278.db2.gz ZYFSJIUTYQHDFJ-YJBOKZPZSA-N 1 0 413.909 2.101 20 0 HEADRO c1coc(CN=c2ccnc([C@@H]3COCCN3)n2-c2ncccc2C[NH+]2CCCC2)c1 ZINC001164983011 722173485 /nfs/dbraw/zinc/17/34/85/722173485.db2.gz AWYXKVNHJKGRBU-FQEVSTJZSA-N 1 0 420.517 2.218 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc(-c3cccnc3F)n1)CCC2 ZINC001165002534 722255227 /nfs/dbraw/zinc/25/52/27/722255227.db2.gz PBCOUMVDIRHCPD-UHFFFAOYSA-N 1 0 411.485 2.363 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cncc(Cl)n1)CCC2 ZINC001165001936 722255332 /nfs/dbraw/zinc/25/53/32/722255332.db2.gz JUJILQXRFPUPQQ-UHFFFAOYSA-N 1 0 400.861 2.360 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(C(N)=O)cc3ccccc31)CCC2 ZINC001165004040 722257004 /nfs/dbraw/zinc/25/70/04/722257004.db2.gz LYXSZVUAFKXGPL-UHFFFAOYSA-N 1 0 408.506 2.019 20 0 HEADRO CN(C[C@@H]1CCCN1C(=O)NC1CCN(CC[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000745453324 1078488987 /nfs/dbraw/zinc/48/89/87/1078488987.db2.gz KAVCADLYFVELOZ-SFHVURJKSA-N 1 0 411.591 2.053 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c(=O)[nH]c1=O ZINC000769655479 1078491691 /nfs/dbraw/zinc/49/16/91/1078491691.db2.gz ANJHEVXFLQBPBY-CVEARBPZSA-N 1 0 414.572 2.023 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)c1ccco1 ZINC000769662218 1078500299 /nfs/dbraw/zinc/50/02/99/1078500299.db2.gz MBPLQZWHVPYJLX-KRWDZBQOSA-N 1 0 408.543 2.331 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(CC(=O)NCc2ccccc2-n2ccnc2)CC1 ZINC000769677602 1078517112 /nfs/dbraw/zinc/51/71/12/1078517112.db2.gz SWYIYPKIUNZQRN-UHFFFAOYSA-N 1 0 413.522 2.478 20 0 HEADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000769692308 1078521678 /nfs/dbraw/zinc/52/16/78/1078521678.db2.gz IAFZNJXTNDKTKY-MSOLQXFVSA-N 1 0 419.570 2.402 20 0 HEADRO CCO[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C[NH+](C)C ZINC001671065143 1078530432 /nfs/dbraw/zinc/53/04/32/1078530432.db2.gz FNONNRKSTXNRLV-BBRMVZONSA-N 1 0 417.337 2.365 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1F ZINC000769758829 1078543636 /nfs/dbraw/zinc/54/36/36/1078543636.db2.gz WKECPFKJIPYAPP-FUHWJXTLSA-N 1 0 411.543 2.413 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000745629716 1078564923 /nfs/dbraw/zinc/56/49/23/1078564923.db2.gz SKNTXAXADAAAOA-QGZVFWFLSA-N 1 0 410.518 2.147 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1CC1CCOCC1 ZINC000769790962 1078567771 /nfs/dbraw/zinc/56/77/71/1078567771.db2.gz YIYWSNGQXHTQNJ-SJORKVTESA-N 1 0 408.547 2.273 20 0 HEADRO COc1ccc(COCC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)cc1 ZINC001109538856 1078603786 /nfs/dbraw/zinc/60/37/86/1078603786.db2.gz WOYIGNAVBDXAOT-UFXRRAJMSA-N 1 0 412.530 2.357 20 0 HEADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000769895785 1078617271 /nfs/dbraw/zinc/61/72/71/1078617271.db2.gz GXCZFUKKLNPVAM-MRXNPFEDSA-N 1 0 417.959 2.304 20 0 HEADRO Cn1cc(S(=O)(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)nc1Cl ZINC000769908681 1078629561 /nfs/dbraw/zinc/62/95/61/1078629561.db2.gz PXQWAOVGAROOSR-UHFFFAOYSA-N 1 0 416.906 2.034 20 0 HEADRO C[C@H](NC(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)C(=O)N1CCCCC1 ZINC000769919586 1078635007 /nfs/dbraw/zinc/63/50/07/1078635007.db2.gz ACSNJHSZHSJZBZ-WMZOPIPTSA-N 1 0 424.586 2.177 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)C1CCCC1 ZINC000769922121 1078636452 /nfs/dbraw/zinc/63/64/52/1078636452.db2.gz XFSKEPHKGJNGRB-KRWDZBQOSA-N 1 0 411.543 2.025 20 0 HEADRO COCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000745780009 1078639733 /nfs/dbraw/zinc/63/97/33/1078639733.db2.gz GWQHIFFPTUOUGQ-FUHWJXTLSA-N 1 0 412.575 2.480 20 0 HEADRO CCCN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000769959666 1078652465 /nfs/dbraw/zinc/65/24/65/1078652465.db2.gz QJKYWFZDVAYVGP-IBGZPJMESA-N 1 0 412.893 2.046 20 0 HEADRO CN(C)C(=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccc(Cl)cc21 ZINC000745803234 1078653412 /nfs/dbraw/zinc/65/34/12/1078653412.db2.gz QNUZUAAAJQPNRQ-DJIMGWMZSA-N 1 0 420.941 2.295 20 0 HEADRO CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000745803812 1078654028 /nfs/dbraw/zinc/65/40/28/1078654028.db2.gz WMSWHNSWWBMPQK-KBPBESRZSA-N 1 0 413.421 2.021 20 0 HEADRO C[NH+](C)C1(CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)Cc2ccccc2C1 ZINC000745842653 1078662123 /nfs/dbraw/zinc/66/21/23/1078662123.db2.gz DVDIYAQUTYLVPM-SFHVURJKSA-N 1 0 402.539 2.394 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)C2=O)cc1 ZINC000745824740 1078664879 /nfs/dbraw/zinc/66/48/79/1078664879.db2.gz LGCICOFKERESGP-SFTDATJTSA-N 1 0 414.550 2.433 20 0 HEADRO O=C(NCC[S@](=O)Cc1ccccc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745831682 1078666999 /nfs/dbraw/zinc/66/69/99/1078666999.db2.gz TZMFDTMFONAUQL-NDEPHWFRSA-N 1 0 407.580 2.222 20 0 HEADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N[C@H](CCO)C2CC2)CC1 ZINC000745848472 1078669077 /nfs/dbraw/zinc/66/90/77/1078669077.db2.gz GMPORXIHZNDKIW-QGZVFWFLSA-N 1 0 414.472 2.417 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000745870779 1078669233 /nfs/dbraw/zinc/66/92/33/1078669233.db2.gz FBNOKUXNQQTBBC-CADBVGFASA-N 1 0 424.586 2.311 20 0 HEADRO CC(C)N1C(=O)c2ccc(C(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)cc2S1(=O)=O ZINC000065421192 1078669760 /nfs/dbraw/zinc/66/97/60/1078669760.db2.gz HADKEXORKXZNEC-HNNXBMFYSA-N 1 0 421.563 2.480 20 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CCOc1ccccc1N1C(=O)C(=O)N(CN2C[C@H]([NH+](C)C)Cc3ccccc32)C1=O ZINC000766336842 1078700298 /nfs/dbraw/zinc/70/02/98/1078700298.db2.gz BPTBDSFYSWCKGD-QGZVFWFLSA-N 1 0 422.485 2.331 20 0 HEADRO CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000770047387 1078703481 /nfs/dbraw/zinc/70/34/81/1078703481.db2.gz JDEQDNYCMPXAMI-BEFAXECRSA-N 1 0 405.520 2.290 20 0 HEADRO CCN(CC1CC[NH+]([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1)C(=O)OC(C)(C)C ZINC000745946634 1078704701 /nfs/dbraw/zinc/70/47/01/1078704701.db2.gz WHDDJSUWETWVPT-INIZCTEOSA-N 1 0 424.586 2.068 20 0 HEADRO C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943272 1078707944 /nfs/dbraw/zinc/70/79/44/1078707944.db2.gz AEFSQEGZJBZXBD-GOSISDBHSA-N 1 0 417.554 2.062 20 0 HEADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745944126 1078708608 /nfs/dbraw/zinc/70/86/08/1078708608.db2.gz PGRKNRMSCAOCCB-QZTJIDSGSA-N 1 0 407.511 2.326 20 0 HEADRO COc1ccc([C@@H](CNC(=O)NC[C@@H](O)c2ccc(F)cc2)[NH+](C)C)cc1OC ZINC000770089320 1078715621 /nfs/dbraw/zinc/71/56/21/1078715621.db2.gz FCCJGXZQMMRJCS-QZTJIDSGSA-N 1 0 405.470 2.478 20 0 HEADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000745998283 1078725805 /nfs/dbraw/zinc/72/58/05/1078725805.db2.gz NZXHHGDPDCNIDD-SOLBZPMBSA-N 1 0 408.518 2.360 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000746036217 1078737932 /nfs/dbraw/zinc/73/79/32/1078737932.db2.gz MFIJSFLSMGDIQK-LSDHHAIUSA-N 1 0 417.901 2.178 20 0 HEADRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)nc1 ZINC001170013003 1078745386 /nfs/dbraw/zinc/74/53/86/1078745386.db2.gz AJKWRIYJKMZHQE-SJORKVTESA-N 1 0 406.552 2.391 20 0 HEADRO O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)C1 ZINC000770185495 1078752199 /nfs/dbraw/zinc/75/21/99/1078752199.db2.gz CSQGIVFHDHVBNM-LEWJYISDSA-N 1 0 415.534 2.358 20 0 HEADRO CCOC(=O)C1=C(C[NH2+]C(C)(C)CC(=O)OC)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000770191046 1078753584 /nfs/dbraw/zinc/75/35/84/1078753584.db2.gz KWTALCQFDHSQSM-KRWDZBQOSA-N 1 0 423.897 2.442 20 0 HEADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746045199 1078755438 /nfs/dbraw/zinc/75/54/38/1078755438.db2.gz HUSJHIBJLODYIV-KUHUBIRLSA-N 1 0 408.520 2.338 20 0 HEADRO CO[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000746047590 1078757279 /nfs/dbraw/zinc/75/72/79/1078757279.db2.gz NFSGQWFXPMZEEM-FQEVSTJZSA-N 1 0 404.555 2.190 20 0 HEADRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746049466 1078758121 /nfs/dbraw/zinc/75/81/21/1078758121.db2.gz QARQQWGFDIPBAI-VLIAUNLRSA-N 1 0 408.520 2.338 20 0 HEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000746053434 1078763262 /nfs/dbraw/zinc/76/32/62/1078763262.db2.gz KVWLFFFCFZDOOZ-AWEZNQCLSA-N 1 0 420.984 2.096 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000770172101 1078767783 /nfs/dbraw/zinc/76/77/83/1078767783.db2.gz FXMWMIYRFDZPMT-ICSRJNTNSA-N 1 0 418.582 2.437 20 0 HEADRO COC(=O)N1CC(NC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1 ZINC000770238541 1078780744 /nfs/dbraw/zinc/78/07/44/1078780744.db2.gz USWJWKNRUOPIEY-UHFFFAOYSA-N 1 0 417.510 2.463 20 0 HEADRO CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000746127897 1078799058 /nfs/dbraw/zinc/79/90/58/1078799058.db2.gz ZRIGBMZVGAXUDR-UHFFFAOYSA-N 1 0 404.518 2.287 20 0 HEADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(CN2CCOC2=O)cc1 ZINC000746140674 1078804313 /nfs/dbraw/zinc/80/43/13/1078804313.db2.gz XJUFAVXTCWNFKW-UHFFFAOYSA-N 1 0 409.490 2.185 20 0 HEADRO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000770247965 1078810521 /nfs/dbraw/zinc/81/05/21/1078810521.db2.gz XECBIUFCEZFXAI-NSHDSACASA-N 1 0 423.304 2.090 20 0 HEADRO CC[NH+](CC)CCSCC(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000746175013 1078810722 /nfs/dbraw/zinc/81/07/22/1078810722.db2.gz VARNPMVYBVCBCH-UHFFFAOYSA-N 1 0 417.579 2.456 20 0 HEADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000746224825 1078826255 /nfs/dbraw/zinc/82/62/55/1078826255.db2.gz JPDMIFKCAFMGFG-PKTZIBPZSA-N 1 0 421.541 2.217 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCc2ccncc2)C[C@H]1C(=O)N1CCSC1 ZINC001170014022 1078819018 /nfs/dbraw/zinc/81/90/18/1078819018.db2.gz MHCARUBZLSYOKR-SJORKVTESA-N 1 0 406.552 2.125 20 0 HEADRO COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000746209943 1078819221 /nfs/dbraw/zinc/81/92/21/1078819221.db2.gz FRBRQENRLFRGDC-CQSZACIVSA-N 1 0 420.510 2.391 20 0 HEADRO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000746256161 1078834110 /nfs/dbraw/zinc/83/41/10/1078834110.db2.gz KYLAYJMWDGGLFN-UHFFFAOYSA-N 1 0 424.473 2.241 20 0 HEADRO Cn1nccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770381270 1078834961 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20 0 HEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000746345004 1078867095 /nfs/dbraw/zinc/86/70/95/1078867095.db2.gz QMCPFCKLKKTKLA-KRWDZBQOSA-N 1 0 423.554 2.414 20 0 HEADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccnn2CC2CC2)[NH+]2CCCC2)c1 ZINC000746343334 1078867112 /nfs/dbraw/zinc/86/71/12/1078867112.db2.gz CTMPSIJGIAICEL-LJQANCHMSA-N 1 0 411.506 2.194 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2CC[C@H]3OC[C@@H](C(=O)Nc4cnccn4)C[C@H]3C2)CC1 ZINC001168779236 1078875896 /nfs/dbraw/zinc/87/58/96/1078875896.db2.gz BUUORFGOSHKABT-JTJPCEKRSA-N 1 0 416.522 2.264 20 0 HEADRO COC(=O)COc1c(C)cc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1C ZINC000746364947 1078876449 /nfs/dbraw/zinc/87/64/49/1078876449.db2.gz WKUWLWZPAYRJJS-SFHVURJKSA-N 1 0 415.412 2.128 20 0 HEADRO C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1cccc(F)c1 ZINC000053778831 1078878969 /nfs/dbraw/zinc/87/89/69/1078878969.db2.gz WTURYROUBOQMBY-UHFFFAOYSA-N 1 0 408.495 2.357 20 0 HEADRO COc1ccc([C@H](CNC(=O)COC(=O)[C@](C)(O)C(C)C)[NH+]2CCCCC2)cc1 ZINC000770558607 1078881113 /nfs/dbraw/zinc/88/11/13/1078881113.db2.gz PZIKFBGFHYRUHN-SIKLNZKXSA-N 1 0 406.523 2.289 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000770522709 1078883487 /nfs/dbraw/zinc/88/34/87/1078883487.db2.gz PHYXDXWXSSGECP-BZSNNMDCSA-N 1 0 410.559 2.232 20 0 HEADRO CC1(C)C[N@@H+](C2(CNC(=O)C(=O)Nc3ccnn3CC3CC3)CCCCC2)CCO1 ZINC000746395383 1078895336 /nfs/dbraw/zinc/89/53/36/1078895336.db2.gz UDFFTMRTOZWRQU-UHFFFAOYSA-N 1 0 417.554 2.162 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000770588272 1078898237 /nfs/dbraw/zinc/89/82/37/1078898237.db2.gz OAMLGRQIZHXJJA-KRWDZBQOSA-N 1 0 413.607 2.205 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000770589329 1078898640 /nfs/dbraw/zinc/89/86/40/1078898640.db2.gz HZVTUGLTUKZAJZ-ROUUACIJSA-N 1 0 411.591 2.101 20 0 HEADRO 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BSPKVDZIADKUJC-WOJBJXKFSA-N 1 0 422.529 2.476 20 0 HEADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(Br)c(S(C)(=O)=O)c3)C[C@]2(C)C1 ZINC001168928794 1079087665 /nfs/dbraw/zinc/08/76/65/1079087665.db2.gz BWVPKVLWNNHKAN-IRXDYDNUSA-N 1 0 415.353 2.266 20 0 HEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000766554038 1079094484 /nfs/dbraw/zinc/09/44/84/1079094484.db2.gz STQVCXUBXQWWTC-UHFFFAOYSA-N 1 0 401.960 2.442 20 0 HEADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766563370 1079096816 /nfs/dbraw/zinc/09/68/16/1079096816.db2.gz OOSAWCUDVOTUCH-PBHICJAKSA-N 1 0 420.501 2.196 20 0 HEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(N2CCOCC2)c1 ZINC000766564155 1079099808 /nfs/dbraw/zinc/09/98/08/1079099808.db2.gz QOSYDEOGDCFBHW-CQSZACIVSA-N 1 0 421.485 2.488 20 0 HEADRO O=C1[C@@H](N2CC[NH+](CC3(O)CCSCC3)CC2)CCCN1Cc1ccccc1 ZINC001169014567 1079099821 /nfs/dbraw/zinc/09/98/21/1079099821.db2.gz NPNSLOFFZARTSO-FQEVSTJZSA-N 1 0 403.592 2.053 20 0 HEADRO Cc1cc(-c2noc(CCC(=O)N3CC[NH+](CCCCCO)CC3)n2)ccc1F ZINC001169064317 1079119505 /nfs/dbraw/zinc/11/95/05/1079119505.db2.gz LDEANYOHWRSZQA-UHFFFAOYSA-N 1 0 404.486 2.424 20 0 HEADRO COc1ccccc1C[C@](C)(CO)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC001169094766 1079127455 /nfs/dbraw/zinc/12/74/55/1079127455.db2.gz SMGNSEVQVRFJID-XMMPIXPASA-N 1 0 411.546 2.166 20 0 HEADRO CSc1ccc([C@H](O)[C@H](CO)Nc2cncc(OCC[NH+]3CCCC3)n2)cc1 ZINC001169087515 1079137218 /nfs/dbraw/zinc/13/72/18/1079137218.db2.gz AYVBSSURPRLEBC-PXNSSMCTSA-N 1 0 404.536 2.180 20 0 HEADRO COc1ccc([C@H](CNC(=O)COC(=O)[C@@H]2CCO[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000771078898 1079133268 /nfs/dbraw/zinc/13/32/68/1079133268.db2.gz REDAJEYORMZGRQ-DBVUQKKJSA-N 1 0 404.507 2.307 20 0 HEADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cc(=O)[nH]c(C3CCC3)n2)[C@@H](c2cnn(C)c2)C1 ZINC001169084517 1079133711 /nfs/dbraw/zinc/13/37/11/1079133711.db2.gz NGWQNICYDBSCHM-RTBURBONSA-N 1 0 412.538 2.314 20 0 HEADRO COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000766587190 1079136800 /nfs/dbraw/zinc/13/68/00/1079136800.db2.gz WUFSNBCZGGKVJC-YJBOKZPZSA-N 1 0 401.507 2.018 20 0 HEADRO COC(=O)[C@H](C[NH3+])Cc1ccc(-n2cc(C[C@](C)(N)C(=O)OC)c3ccccc32)cc1 ZINC001169117728 1079141734 /nfs/dbraw/zinc/14/17/34/1079141734.db2.gz XMGRPLXJGPZFGE-XDHUDOTRSA-N 1 0 423.513 2.354 20 0 HEADRO CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H]1OC ZINC000766597613 1079144428 /nfs/dbraw/zinc/14/44/28/1079144428.db2.gz CFBUJOYBWAQSFV-RTBURBONSA-N 1 0 402.539 2.087 20 0 HEADRO CC(C)OCCC[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170021470 1079144835 /nfs/dbraw/zinc/14/48/35/1079144835.db2.gz FHBJMNDCWGEGNJ-HOTGVXAUSA-N 1 0 401.573 2.302 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3nc(C4CC4)cs3)cc2)CC1 ZINC000766598863 1079145633 /nfs/dbraw/zinc/14/56/33/1079145633.db2.gz VRLZPVZCVIMUEG-UHFFFAOYSA-N 1 0 413.547 2.417 20 0 HEADRO CCCN(CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000804309297 1079146597 /nfs/dbraw/zinc/14/65/97/1079146597.db2.gz ZQPQCSMEWADMSM-GOSISDBHSA-N 1 0 424.586 2.227 20 0 HEADRO CC(C)[N@H+](C)CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771106439 1079155654 /nfs/dbraw/zinc/15/56/54/1079155654.db2.gz MEKWIOVNWCFQLM-IBGZPJMESA-N 1 0 412.893 2.093 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1)C1CC1 ZINC001169112203 1079159825 /nfs/dbraw/zinc/15/98/25/1079159825.db2.gz NKSDAHQOOHLAKU-LJQANCHMSA-N 1 0 413.522 2.381 20 0 HEADRO COC(=O)[C@](C)(N)Cc1cn(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)c2ccccc12 ZINC001169114589 1079162252 /nfs/dbraw/zinc/16/22/52/1079162252.db2.gz DAKAPBHFCFCRJM-XMMPIXPASA-N 1 0 420.513 2.109 20 0 HEADRO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(I)nn3C)C2)c1 ZINC001169150217 1079166527 /nfs/dbraw/zinc/16/65/27/1079166527.db2.gz RLAUCHAKPQZOOA-CQSZACIVSA-N 1 0 424.286 2.337 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc(F)cc1F ZINC001169160499 1079169750 /nfs/dbraw/zinc/16/97/50/1079169750.db2.gz GXSAYTFGJLZDDW-ZDUSSCGKSA-N 1 0 405.449 2.061 20 0 HEADRO CC[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ncccc1C ZINC001169168498 1079168151 /nfs/dbraw/zinc/16/81/51/1079168151.db2.gz NFNBOLCKGRUJRQ-DLBZAZTESA-N 1 0 412.538 2.437 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1ccc2cc(C[NH3+])ccc21 ZINC001169165022 1079173376 /nfs/dbraw/zinc/17/33/76/1079173376.db2.gz YKFWPRWDDGZLPL-OAHLLOKOSA-N 1 0 408.506 2.279 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1CCC(F)(F)CC1 ZINC001169167314 1079175320 /nfs/dbraw/zinc/17/53/20/1079175320.db2.gz GBODUKLOPSTJMR-AWEZNQCLSA-N 1 0 411.497 2.408 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001169191704 1079179756 /nfs/dbraw/zinc/17/97/56/1079179756.db2.gz NWPMFCXRHFEROO-MSOLQXFVSA-N 1 0 423.561 2.387 20 0 HEADRO COc1ccc(CNC(=O)Cc2noc([C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000771164475 1079179868 /nfs/dbraw/zinc/17/98/68/1079179868.db2.gz ZNADWZPQRCDDPJ-HSZRJFAPSA-N 1 0 422.485 2.031 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1cnc(Cl)s1 ZINC001169190334 1079178379 /nfs/dbraw/zinc/17/83/79/1079178379.db2.gz FSIDTXMHWOUJOF-GFCCVEGCSA-N 1 0 424.958 2.234 20 0 HEADRO Cc1cccc2c1CC[N@@H+]([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169192160 1079180282 /nfs/dbraw/zinc/18/02/82/1079180282.db2.gz PGBOIKTTWSUSGI-QGZVFWFLSA-N 1 0 409.534 2.359 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCc2ccccc21 ZINC001169194001 1079180907 /nfs/dbraw/zinc/18/09/07/1079180907.db2.gz UWQGVZSCKXGKRD-SJLPKXTDSA-N 1 0 409.534 2.312 20 0 HEADRO Cc1ccnc(C2(C[NH2+][C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)c1 ZINC001169194252 1079181441 /nfs/dbraw/zinc/18/14/41/1079181441.db2.gz XMJREZPKXFFFGD-QGZVFWFLSA-N 1 0 424.549 2.017 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccc2cccnc21 ZINC001169194176 1079181832 /nfs/dbraw/zinc/18/18/32/1079181832.db2.gz WAFVMKJVNLTVKU-MRXNPFEDSA-N 1 0 420.517 2.331 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001169201896 1079183581 /nfs/dbraw/zinc/18/35/81/1079183581.db2.gz MTDYRZXZFTURFA-ZIAGYGMSSA-N 1 0 415.460 2.267 20 0 HEADRO Cc1nc([C@H](C)[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cs1 ZINC001169169961 1079185472 /nfs/dbraw/zinc/18/54/72/1079185472.db2.gz QQEIWQYTEVGIPQ-STQMWFEESA-N 1 0 404.540 2.108 20 0 HEADRO Cc1cccnc1[C@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC001169172669 1079187346 /nfs/dbraw/zinc/18/73/46/1079187346.db2.gz SSEXCUPZBUMMFO-VQIMIIECSA-N 1 0 424.549 2.437 20 0 HEADRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC001169172667 1079187349 /nfs/dbraw/zinc/18/73/49/1079187349.db2.gz SSEXCUPZBUMMFO-LPHOPBHVSA-N 1 0 424.549 2.437 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000771136057 1079187395 /nfs/dbraw/zinc/18/73/95/1079187395.db2.gz YSVWRVRXLVSCKE-GBESFXJTSA-N 1 0 403.571 2.448 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H](C)c1ccc(O)cc1 ZINC001169172923 1079188153 /nfs/dbraw/zinc/18/81/53/1079188153.db2.gz AKFHUMMYHLMKRY-CVEARBPZSA-N 1 0 413.522 2.091 20 0 HEADRO CCCN(CCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000804309474 1079188688 /nfs/dbraw/zinc/18/86/88/1079188688.db2.gz GGWRSJYRQQCICS-SFHVURJKSA-N 1 0 424.586 2.227 20 0 HEADRO CC(C)c1ncc(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)s1 ZINC001169181584 1079193864 /nfs/dbraw/zinc/19/38/64/1079193864.db2.gz RZAVWXGYASWVDC-CQSZACIVSA-N 1 0 418.567 2.362 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1ccc(F)cc1F ZINC001169182339 1079194457 /nfs/dbraw/zinc/19/44/57/1079194457.db2.gz XXENWHMGRDBSJJ-AWEZNQCLSA-N 1 0 419.476 2.103 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1nc2ccccc2o1 ZINC001169206244 1079195812 /nfs/dbraw/zinc/19/58/12/1079195812.db2.gz HXPLHOFJZPZPNN-OAHLLOKOSA-N 1 0 424.505 2.266 20 0 HEADRO OCC1(C[C@@H](O)C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCCC1 ZINC001169226811 1079203873 /nfs/dbraw/zinc/20/38/73/1079203873.db2.gz VEYPKHZGKCRCAM-CYBMUJFWSA-N 1 0 408.490 2.373 20 0 HEADRO CCC(CC)[C@H](C(=O)N1CC[NH2+][C@@H](Cc2cccc(OC)c2)C1)N1CCOCC1 ZINC001169249998 1079211763 /nfs/dbraw/zinc/21/17/63/1079211763.db2.gz HCNGRPZKLCOIFS-RBBKRZOGSA-N 1 0 403.567 2.175 20 0 HEADRO C[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CCO1 ZINC000771239057 1079222621 /nfs/dbraw/zinc/22/26/21/1079222621.db2.gz KXQFJAMEGCKJDD-IRXDYDNUSA-N 1 0 402.539 2.087 20 0 HEADRO CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000804314008 1079221550 /nfs/dbraw/zinc/22/15/50/1079221550.db2.gz DXAWMVMGKOAVMY-PMACEKPBSA-N 1 0 414.550 2.027 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)C ZINC000771226853 1079216950 /nfs/dbraw/zinc/21/69/50/1079216950.db2.gz HVSFPNMXZRJAOE-OXQOHEQNSA-N 1 0 414.550 2.485 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170023437 1079218984 /nfs/dbraw/zinc/21/89/84/1079218984.db2.gz XJGHQERUERRKFR-YVSFHVDLSA-N 1 0 413.584 2.038 20 0 HEADRO C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000766643940 1079223188 /nfs/dbraw/zinc/22/31/88/1079223188.db2.gz MVUYRWNJSYDHPS-YWZLYKJASA-N 1 0 401.482 2.497 20 0 HEADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1S(=O)(=O)N1CCCCC1 ZINC001169270978 1079224444 /nfs/dbraw/zinc/22/44/44/1079224444.db2.gz KMFBJDBGAGKYFY-IEBWSBKVSA-N 1 0 423.579 2.249 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCOC2CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169312828 1079224964 /nfs/dbraw/zinc/22/49/64/1079224964.db2.gz GHNNBAYFALZEJS-WMZOPIPTSA-N 1 0 414.543 2.493 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)C(C)C ZINC000771215464 1079231550 /nfs/dbraw/zinc/23/15/50/1079231550.db2.gz GWMLOYUMPHMBKJ-INIZCTEOSA-N 1 0 402.539 2.485 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CO1 ZINC001169346056 1079233511 /nfs/dbraw/zinc/23/35/11/1079233511.db2.gz DACWCZZWWGFUSO-YSVLISHTSA-N 1 0 402.447 2.129 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000771219113 1079233688 /nfs/dbraw/zinc/23/36/88/1079233688.db2.gz GKTGNUAGRLZFAJ-DLBZAZTESA-N 1 0 402.539 2.485 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ncn3c2CN(C(=O)OC(C)(C)C)CCC3)CO1 ZINC001169334507 1079237019 /nfs/dbraw/zinc/23/70/19/1079237019.db2.gz LMPLVWICFHQZIN-YJBOKZPZSA-N 1 0 422.526 2.224 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)CO1 ZINC001169340223 1079239596 /nfs/dbraw/zinc/23/95/96/1079239596.db2.gz LNAQDCHGLSUOSF-YVSFHVDLSA-N 1 0 415.527 2.329 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000771287008 1079241006 /nfs/dbraw/zinc/24/10/06/1079241006.db2.gz KJULLPOVCGGLJC-HKUYNNGSSA-N 1 0 404.511 2.362 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000771287412 1079241406 /nfs/dbraw/zinc/24/14/06/1079241406.db2.gz LKZNZWHCKOOVJK-FUHWJXTLSA-N 1 0 404.511 2.362 20 0 HEADRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCC12CCC[NH+](CCC1)C2 ZINC001169402428 1079251235 /nfs/dbraw/zinc/25/12/35/1079251235.db2.gz OGSRSCLZRDRNTQ-GOSISDBHSA-N 1 0 424.586 2.034 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)CO1 ZINC001169383886 1079254733 /nfs/dbraw/zinc/25/47/33/1079254733.db2.gz CIRISMGAZWVXAN-AFDCHOCNSA-N 1 0 404.507 2.331 20 0 HEADRO C[C@@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1(c2ccccc2)CCCC1 ZINC001169384225 1079255481 /nfs/dbraw/zinc/25/54/81/1079255481.db2.gz YZLQTJSGYSVZLB-QGZVFWFLSA-N 1 0 407.580 2.017 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CCN(Cc4csc(C)n4)C3=O)CC2)CO1 ZINC001169388780 1079259007 /nfs/dbraw/zinc/25/90/07/1079259007.db2.gz QFINJPBJNQTPDD-ROUUACIJSA-N 1 0 421.563 2.377 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)CO1 ZINC001169398188 1079270979 /nfs/dbraw/zinc/27/09/79/1079270979.db2.gz PPVCHOHCKCLBCI-NUJGCVRESA-N 1 0 408.470 2.334 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169398944 1079272554 /nfs/dbraw/zinc/27/25/54/1079272554.db2.gz UBLCGOOKGUXZTD-BMQTXXJKSA-N 1 0 422.547 2.212 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)CO1 ZINC001169393740 1079265469 /nfs/dbraw/zinc/26/54/69/1079265469.db2.gz CIRISMGAZWVXAN-PFAUGDHASA-N 1 0 404.507 2.331 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CO1 ZINC001169394781 1079267529 /nfs/dbraw/zinc/26/75/29/1079267529.db2.gz GEXKKPITKDLRQN-VAWZGJIGSA-N 1 0 400.519 2.435 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H](N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CO1 ZINC001169414942 1079275345 /nfs/dbraw/zinc/27/53/45/1079275345.db2.gz CKXQHJKNLRNIFT-KBPBESRZSA-N 1 0 402.417 2.165 20 0 HEADRO 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RGNKBQZPKRJQOJ-HNNXBMFYSA-N 1 0 414.472 2.096 20 0 HEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(CC)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000771659471 1079430601 /nfs/dbraw/zinc/43/06/01/1079430601.db2.gz GDQBAYXTFNXHSB-QFIPXVFZSA-N 1 0 424.586 2.179 20 0 HEADRO Cc1cccc(C2N=NC(=S)N2CC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000771661223 1079430864 /nfs/dbraw/zinc/43/08/64/1079430864.db2.gz OFCQHFBWJFIZBL-UHFFFAOYSA-N 1 0 416.595 2.075 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000771662964 1079432817 /nfs/dbraw/zinc/43/28/17/1079432817.db2.gz IGLGVPXNSGJPKO-UHFFFAOYSA-N 1 0 421.485 2.126 20 0 HEADRO CC[C@@]1(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000771667551 1079436630 /nfs/dbraw/zinc/43/66/30/1079436630.db2.gz LXGWYTBLCAUGKP-VGSWGCGISA-N 1 0 408.587 2.451 20 0 HEADRO Cc1ccc(N2CCOC[C@@]3(CCC[N@@H+](C4CCC(S(C)(=O)=O)CC4)C3)C2)nn1 ZINC001169879573 1079453405 /nfs/dbraw/zinc/45/34/05/1079453405.db2.gz DUXLYPNBTPKNFR-GZNCHQMQSA-N 1 0 422.595 2.060 20 0 HEADRO COCC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(S(C)(=O)=O)CC1 ZINC001169897243 1079468267 /nfs/dbraw/zinc/46/82/67/1079468267.db2.gz MXLGEFFTGCNJEF-AQFXKWCLSA-N 1 0 404.573 2.300 20 0 HEADRO CCOc1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)nc2nc(C(F)(F)F)nn21 ZINC000766879191 1079472791 /nfs/dbraw/zinc/47/27/91/1079472791.db2.gz VINKHWXHQIPWGC-LLVKDONJSA-N 1 0 401.389 2.127 20 0 HEADRO C[C@@H](CNC(=O)NC[C@H](O)COc1ccccc1Br)[NH+]1CCCCC1 ZINC000766879835 1079475190 /nfs/dbraw/zinc/47/51/90/1079475190.db2.gz HBHGQOQGNCCIHD-GJZGRUSLSA-N 1 0 414.344 2.362 20 0 HEADRO COc1ccc2c(c1)NC(=O)C[C@@H]2CNc1ncccc1C(=O)NCCC[NH+](C)C ZINC001169911238 1079475200 /nfs/dbraw/zinc/47/52/00/1079475200.db2.gz DIROINQDNBVYPH-OAHLLOKOSA-N 1 0 411.506 2.310 20 0 HEADRO CSCC[C@@H](O)C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001169913404 1079475949 /nfs/dbraw/zinc/47/59/49/1079475949.db2.gz SZPZOUBNHTWGEM-OAHLLOKOSA-N 1 0 410.540 2.191 20 0 HEADRO FC(F)(F)c1ncc([C@H](C[NH2+][C@@H]2CCCC3(C2)OCCO3)N2CCOCC2)cn1 ZINC001169916079 1079476825 /nfs/dbraw/zinc/47/68/25/1079476825.db2.gz KOIIUQHEMPQAOH-CVEARBPZSA-N 1 0 416.444 2.144 20 0 HEADRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001169928288 1079478309 /nfs/dbraw/zinc/47/83/09/1079478309.db2.gz LQFRGMGRBCLPPA-HKUYNNGSSA-N 1 0 423.579 2.425 20 0 HEADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC000737289100 1075894832 /nfs/dbraw/zinc/89/48/32/1075894832.db2.gz NMWJBKQYCRAEPQ-MRXNPFEDSA-N 1 0 406.490 2.451 20 0 HEADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)cc2)C1 ZINC000737306156 1075904490 /nfs/dbraw/zinc/90/44/90/1075904490.db2.gz QOUDABPBSSCEGH-INIZCTEOSA-N 1 0 423.579 2.187 20 0 HEADRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169946335 1079488911 /nfs/dbraw/zinc/48/89/11/1079488911.db2.gz ZFIUNZVHQMQSQP-OALUTQOASA-N 1 0 402.539 2.470 20 0 HEADRO Cc1cccc(CN2CC3(CC[NH+]([C@@H]4CCCC5(C4)OCCO5)CC3)OCC2=O)n1 ZINC001169946723 1079488923 /nfs/dbraw/zinc/48/89/23/1079488923.db2.gz CQGIIIRWSIAXOV-HXUWFJFHSA-N 1 0 415.534 2.269 20 0 HEADRO COC[C@H]1CC2(CN1c1ncccn1)CC[NH+]([C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001169946337 1079488966 /nfs/dbraw/zinc/48/89/66/1079488966.db2.gz ZFIUNZVHQMQSQP-RTBURBONSA-N 1 0 402.539 2.470 20 0 HEADRO C[C@@H](CN/C=C1\c2ccccc2C(=O)N(c2ccccn2)C1=O)C[NH+]1CCOCC1 ZINC000737753259 1075922416 /nfs/dbraw/zinc/92/24/16/1075922416.db2.gz TUDOAOFUBCYWEN-AWZALFRUSA-N 1 0 406.486 2.167 20 0 HEADRO CN(CC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000737729123 1075926743 /nfs/dbraw/zinc/92/67/43/1075926743.db2.gz SQFVAKSXHQRLFA-UHFFFAOYSA-N 1 0 420.554 2.143 20 0 HEADRO C[C@H](CNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000737853490 1075931884 /nfs/dbraw/zinc/93/18/84/1075931884.db2.gz HFJICOXXHHUOBX-DENIHFKCSA-N 1 0 424.545 2.406 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1CSc1nc[nH]n1 ZINC000737851078 1075931969 /nfs/dbraw/zinc/93/19/69/1075931969.db2.gz PQJWPIKHJULUDN-QGZVFWFLSA-N 1 0 401.536 2.470 20 0 HEADRO C[C@H]1COCCN1CCNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737836380 1075935365 /nfs/dbraw/zinc/93/53/65/1075935365.db2.gz FHVNULVFVUHDKB-GHTZIAJQSA-N 1 0 411.502 2.491 20 0 HEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2nc(-c3ccccc3F)oc2C)CC1 ZINC000737837804 1075935689 /nfs/dbraw/zinc/93/56/89/1075935689.db2.gz KQQTWXHSFSPNSE-UHFFFAOYSA-N 1 0 402.470 2.415 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2)CC1 ZINC000737950563 1075946609 /nfs/dbraw/zinc/94/66/09/1075946609.db2.gz CPUZVQWOADSKLM-UHFFFAOYSA-N 1 0 421.501 2.247 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000737995648 1075949213 /nfs/dbraw/zinc/94/92/13/1075949213.db2.gz XGLWREQKTLUYBU-UHFFFAOYSA-N 1 0 403.914 2.220 20 0 HEADRO CC(C)c1nnc(NC(=O)C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)s1 ZINC000766888754 1079493153 /nfs/dbraw/zinc/49/31/53/1079493153.db2.gz ICMZOTHWIFJFKI-HXUWFJFHSA-N 1 0 403.552 2.217 20 0 HEADRO CCN(CC)C(=O)c1cccnc1N1CC[NH+]([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169956930 1079493249 /nfs/dbraw/zinc/49/32/49/1079493249.db2.gz AZLWWXZSURYXEP-GOSISDBHSA-N 1 0 402.539 2.371 20 0 HEADRO CCCN(Cn1cc(S(=O)(=O)N(C)C)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738041803 1075955760 /nfs/dbraw/zinc/95/57/60/1075955760.db2.gz PBCWWQUNCDWUTM-FQEVSTJZSA-N 1 0 419.595 2.468 20 0 HEADRO Cn1c(=O)cc(Nc2nc(C[NH3+])ccc2NC(=O)C(C)(C)C)n(-c2ccccc2)c1=O ZINC001169958821 1079494571 /nfs/dbraw/zinc/49/45/71/1079494571.db2.gz SNASRHBGMLLYON-UHFFFAOYSA-N 1 0 422.489 2.118 20 0 HEADRO C[NH+](C)[C@@H]1CCCN(CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738142301 1075962924 /nfs/dbraw/zinc/96/29/24/1075962924.db2.gz BZCAIJQKZMDWRR-APWZRJJASA-N 1 0 408.340 2.449 20 0 HEADRO C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(CN1CCC(CC[NH+]3CCOCC3)CC1)C2=O ZINC000738112093 1075966719 /nfs/dbraw/zinc/96/67/19/1075966719.db2.gz SABWPLZHOYTSSV-OEWRPIJISA-N 1 0 406.571 2.125 20 0 HEADRO O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@H](n2ccnc2)C1 ZINC000738147954 1075968680 /nfs/dbraw/zinc/96/86/80/1075968680.db2.gz HEWOHIXYDOOOMP-REWPJTCUSA-N 1 0 422.533 2.064 20 0 HEADRO CC(=O)N(c1nn(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(=S)s1)C1CC1 ZINC000738168829 1075971978 /nfs/dbraw/zinc/97/19/78/1075971978.db2.gz AULKWMDKNDCGLA-QGZVFWFLSA-N 1 0 424.640 2.249 20 0 HEADRO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN1CCN(C[C@@H]3CCCC[N@@H+]3C)CC1)C2=O ZINC000738169277 1075972331 /nfs/dbraw/zinc/97/23/31/1075972331.db2.gz HNHOQHKFZHIXJT-MSYCTHLASA-N 1 0 419.614 2.183 20 0 HEADRO Cc1nn(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(=S)n1Cc1ccccc1 ZINC000738206739 1075973414 /nfs/dbraw/zinc/97/34/14/1075973414.db2.gz BRPHUWSBKCDYIB-FQEVSTJZSA-N 1 0 400.596 2.440 20 0 HEADRO C[NH+](C)CCOC1CCN(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000738211465 1075974523 /nfs/dbraw/zinc/97/45/23/1075974523.db2.gz WAWCQQYJNCEGSF-SFHVURJKSA-N 1 0 414.959 2.169 20 0 HEADRO C[NH+](C)C[C@H]1CCN(Cn2nc(N3CCOCC3)n(-c3ccccc3)c2=S)C1 ZINC000738226648 1075975977 /nfs/dbraw/zinc/97/59/77/1075975977.db2.gz YOKPTHQVKYYNEU-QGZVFWFLSA-N 1 0 402.568 2.081 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(Cn2nnn(C(C)(C)C)c2=S)CC1 ZINC000738284335 1075979254 /nfs/dbraw/zinc/97/92/54/1075979254.db2.gz KZEYSNRBEOZCHU-UHFFFAOYSA-N 1 0 419.599 2.284 20 0 HEADRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000738285725 1075979403 /nfs/dbraw/zinc/97/94/03/1075979403.db2.gz NOHNFHCSQBATOL-MRXNPFEDSA-N 1 0 412.581 2.444 20 0 HEADRO Cc1ccc(OC[C@H](O)C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000738326851 1075980547 /nfs/dbraw/zinc/98/05/47/1075980547.db2.gz POMLWHOKCSQKRD-LJQANCHMSA-N 1 0 407.555 2.219 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)CC(=O)NCc3ccccc3)cc2)CC1 ZINC000738335929 1075984078 /nfs/dbraw/zinc/98/40/78/1075984078.db2.gz VFGXKRWDIPQDFJ-UHFFFAOYSA-N 1 0 423.561 2.015 20 0 HEADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000738314625 1075987980 /nfs/dbraw/zinc/98/79/80/1075987980.db2.gz QJHLHPOEUFJQRJ-REDKUUPNSA-N 1 0 416.522 2.394 20 0 HEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1nc2ncc(Br)cn2n1 ZINC000738520431 1075999389 /nfs/dbraw/zinc/99/93/89/1075999389.db2.gz DROLLODTFVMKPT-UHFFFAOYSA-N 1 0 403.284 2.221 20 0 HEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000738517146 1075999414 /nfs/dbraw/zinc/99/94/14/1075999414.db2.gz SKQAWQSDRXINHZ-UHFFFAOYSA-N 1 0 409.577 2.174 20 0 HEADRO O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738549598 1076001351 /nfs/dbraw/zinc/00/13/51/1076001351.db2.gz SUEIYKHMDNUFGQ-YWFITGJYSA-N 1 0 405.564 2.444 20 0 HEADRO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000771780423 1079501267 /nfs/dbraw/zinc/50/12/67/1079501267.db2.gz MBHMIRCSEQQJRZ-QGZVFWFLSA-N 1 0 417.506 2.437 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NC[C@@H](c1ccccc1)C(C)C)CC2 ZINC000771780061 1079501677 /nfs/dbraw/zinc/50/16/77/1079501677.db2.gz QMTVFOMDMPVDCE-GOSISDBHSA-N 1 0 401.507 2.326 20 0 HEADRO CN1CC[C@H](NC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1=O ZINC000738920656 1076029221 /nfs/dbraw/zinc/02/92/21/1076029221.db2.gz USKDKPHQIRTTJM-SFHVURJKSA-N 1 0 401.511 2.243 20 0 HEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc(Cl)cc2)c(OCC[NH+](C)C)c1 ZINC000739064138 1076034301 /nfs/dbraw/zinc/03/43/01/1076034301.db2.gz ALSSMRFIPJVVOB-SFHVURJKSA-N 1 0 419.909 2.377 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000739068903 1076036280 /nfs/dbraw/zinc/03/62/80/1076036280.db2.gz HZCJJOBCQRELLJ-SFHVURJKSA-N 1 0 414.550 2.327 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N(CCO)CC(C)(C)C)cc2)CC1 ZINC000739085180 1076042036 /nfs/dbraw/zinc/04/20/36/1076042036.db2.gz HDCXSJIVUUFSBW-UHFFFAOYSA-N 1 0 418.582 2.270 20 0 HEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C[C@H](C)O1 ZINC000739089593 1076042780 /nfs/dbraw/zinc/04/27/80/1076042780.db2.gz RMLBCTQTJXRSPC-LAUBAEHRSA-N 1 0 416.566 2.429 20 0 HEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000739090306 1076043484 /nfs/dbraw/zinc/04/34/84/1076043484.db2.gz UAOXECFPZXERGP-KSZLIROESA-N 1 0 402.539 2.229 20 0 HEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)C1 ZINC000739091236 1076044048 /nfs/dbraw/zinc/04/40/48/1076044048.db2.gz VHMPPLXRWIRHBT-MSOLQXFVSA-N 1 0 402.539 2.087 20 0 HEADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000739117957 1076045825 /nfs/dbraw/zinc/04/58/25/1076045825.db2.gz GBXXITYQGRGZMJ-SFHVURJKSA-N 1 0 402.495 2.305 20 0 HEADRO O=C(Nc1ccc(CN2CCOC2=O)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000739119697 1076046358 /nfs/dbraw/zinc/04/63/58/1076046358.db2.gz MKPXHCYSXBUXPS-LJQANCHMSA-N 1 0 414.506 2.054 20 0 HEADRO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000739120247 1076046969 /nfs/dbraw/zinc/04/69/69/1076046969.db2.gz QSEAHQXYZQLNRJ-MRXNPFEDSA-N 1 0 420.941 2.457 20 0 HEADRO NC(=O)[C@@H]1CC(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)=NN1c1ccccc1 ZINC000739648766 1076069204 /nfs/dbraw/zinc/06/92/04/1076069204.db2.gz HXAYYRDUWSTTIA-NRFANRHFSA-N 1 0 405.502 2.236 20 0 HEADRO CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739721812 1076078809 /nfs/dbraw/zinc/07/88/09/1076078809.db2.gz LOIGWUGQMHTFDA-RTBURBONSA-N 1 0 408.587 2.166 20 0 HEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739723168 1076078904 /nfs/dbraw/zinc/07/89/04/1076078904.db2.gz GPVIDSAMAUCHBQ-CEXWTWQISA-N 1 0 408.587 2.308 20 0 HEADRO O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000739926405 1076093966 /nfs/dbraw/zinc/09/39/66/1076093966.db2.gz MJBKRALKWNMUBR-AWEZNQCLSA-N 1 0 401.479 2.039 20 0 HEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@](C)(O)c3cccs3)cc2)CC1 ZINC000740032947 1076097524 /nfs/dbraw/zinc/09/75/24/1076097524.db2.gz JCDVYFYTQJQHOR-OAQYLSRUSA-N 1 0 402.564 2.202 20 0 HEADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@@H](O)c2ccsc2)CC1 ZINC000740032977 1076097796 /nfs/dbraw/zinc/09/77/96/1076097796.db2.gz JNTQKKSYYRTIRY-HXUWFJFHSA-N 1 0 402.564 2.418 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@](C)(O)c1cccs1 ZINC000740016289 1076102808 /nfs/dbraw/zinc/10/28/08/1076102808.db2.gz MSCJRKGJOZOHRA-WBMJQRKESA-N 1 0 403.957 2.263 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000766245668 1076105587 /nfs/dbraw/zinc/10/55/87/1076105587.db2.gz BZEZTYBLFQWOOK-KRWDZBQOSA-N 1 0 402.520 2.183 20 0 HEADRO CC[N@@H+]1C[C@@H](C)N(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C[C@H]1C ZINC000766250693 1076150914 /nfs/dbraw/zinc/15/09/14/1076150914.db2.gz AKLFUIGKWSHBRJ-IAGOWNOFSA-N 1 0 404.530 2.091 20 0 HEADRO O=C(COC(=O)c1ccnc(-n2cccn2)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000740338491 1076154451 /nfs/dbraw/zinc/15/44/51/1076154451.db2.gz SPSIWOZXILUCKV-UHFFFAOYSA-N 1 0 419.485 2.336 20 0 HEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OCCC(C)C ZINC000740493150 1076172330 /nfs/dbraw/zinc/17/23/30/1076172330.db2.gz ALORDZKIULQEDF-RBUKOAKNSA-N 1 0 403.523 2.338 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)C[C@H]1C ZINC000740840898 1076264308 /nfs/dbraw/zinc/26/43/08/1076264308.db2.gz HMAXDXOEKNSKLV-TVTNDZMWSA-N 1 0 400.523 2.093 20 0 HEADRO CC(C)OCCCN(C)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000740856224 1076269106 /nfs/dbraw/zinc/26/91/06/1076269106.db2.gz BOIZQSDBQZIGOW-QFIPXVFZSA-N 1 0 402.539 2.277 20 0 HEADRO CC[N@H+](Cn1cc(C(=O)OC)nn1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000740856055 1076269234 /nfs/dbraw/zinc/26/92/34/1076269234.db2.gz MEECGVJPHPLIKJ-UHFFFAOYSA-N 1 0 401.515 2.235 20 0 HEADRO Cc1nn(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c(=S)n1CC(=O)N(C)C ZINC000740864331 1076274459 /nfs/dbraw/zinc/27/44/59/1076274459.db2.gz CUFKVALTPFZOAX-QGZVFWFLSA-N 1 0 416.595 2.365 20 0 HEADRO CC[NH+]1CCC(N(C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)CC1 ZINC000740874641 1076277274 /nfs/dbraw/zinc/27/72/74/1076277274.db2.gz XSYITNVVLBGGQC-UHFFFAOYSA-N 1 0 404.530 2.093 20 0 HEADRO CCOC(=O)N(C)C1CCN(CCC[NH+]2CCC(N(C)C(=O)OCC)CC2)CC1 ZINC000740876405 1076277981 /nfs/dbraw/zinc/27/79/81/1076277981.db2.gz UECSKRVPITZLDQ-UHFFFAOYSA-N 1 0 412.575 2.482 20 0 HEADRO CCS(=O)(=O)N(C)C1CC[NH+](CCOc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000740877247 1076278462 /nfs/dbraw/zinc/27/84/62/1076278462.db2.gz IKGCRZOVWSGVCU-UHFFFAOYSA-N 1 0 408.520 2.226 20 0 HEADRO O=C1CCCN1C[C@@H]1CCCCN1CCC[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000740877669 1076279157 /nfs/dbraw/zinc/27/91/57/1076279157.db2.gz WKPSHKCEOFSXAE-SFTDATJTSA-N 1 0 404.599 2.330 20 0 HEADRO O=C1CCCN1C[C@H]1CCCC[N@H+]1CCCN1CCCC[C@H]1CN1CCCC1=O ZINC000740877668 1076279313 /nfs/dbraw/zinc/27/93/13/1076279313.db2.gz WKPSHKCEOFSXAE-OYRHEFFESA-N 1 0 404.599 2.330 20 0 HEADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C[C@H](C)O1 ZINC000740905118 1076298581 /nfs/dbraw/zinc/29/85/81/1076298581.db2.gz YVFPOGQACLTVOA-FJIDUMEYSA-N 1 0 412.575 2.430 20 0 HEADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740942633 1076309066 /nfs/dbraw/zinc/30/90/66/1076309066.db2.gz KCUSBAMAWVCEHI-CVEARBPZSA-N 1 0 401.532 2.001 20 0 HEADRO Cc1c(C(=O)NC[C@@](C)(O)c2ccsc2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000740936106 1076314803 /nfs/dbraw/zinc/31/48/03/1076314803.db2.gz HFGRJANIUJVLHA-OAQYLSRUSA-N 1 0 411.531 2.263 20 0 HEADRO CC(C)[C@@H](C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1)[NH+]1CCCCC1 ZINC000741011744 1076327764 /nfs/dbraw/zinc/32/77/64/1076327764.db2.gz RFRNGCXLAYVYRX-IBGZPJMESA-N 1 0 412.552 2.369 20 0 HEADRO CC[C@H](C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)[NH+](CC)CC ZINC000741032257 1076331817 /nfs/dbraw/zinc/33/18/17/1076331817.db2.gz BSCVVWNIGSSYGJ-GOSISDBHSA-N 1 0 404.511 2.026 20 0 HEADRO C[N@H+](CCCO)C1CCN(C(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000741082137 1076357294 /nfs/dbraw/zinc/35/72/94/1076357294.db2.gz XWOZZARHGZJVAK-UHFFFAOYSA-N 1 0 402.539 2.192 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@H](CCO)c3ccccc3)cc2)CC1 ZINC000741105564 1076358362 /nfs/dbraw/zinc/35/83/62/1076358362.db2.gz VLMVLLWKDTZTBP-HXUWFJFHSA-N 1 0 424.545 2.049 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H](CCO)c3ccccc3)cc2)CC1 ZINC000741105563 1076358391 /nfs/dbraw/zinc/35/83/91/1076358391.db2.gz VLMVLLWKDTZTBP-FQEVSTJZSA-N 1 0 424.545 2.049 20 0 HEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H](O)c1ccccc1Cl ZINC000741104228 1076377162 /nfs/dbraw/zinc/37/71/62/1076377162.db2.gz GNTUTRJBLYWUNQ-KRWDZBQOSA-N 1 0 405.882 2.199 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)C1 ZINC000741119069 1076379172 /nfs/dbraw/zinc/37/91/72/1076379172.db2.gz YKGBFEHPVJGKHP-APWZRJJASA-N 1 0 402.491 2.207 20 0 HEADRO CCS(=O)(=O)N1CCC(C(=O)OC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000741124742 1076380658 /nfs/dbraw/zinc/38/06/58/1076380658.db2.gz PXBCZBXVTFRSDG-UYAOXDASSA-N 1 0 424.563 2.293 20 0 HEADRO CCn1cc(N=c2scc(-c3cnn(C)c3)n2[C@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000741155647 1076389100 /nfs/dbraw/zinc/38/91/00/1076389100.db2.gz LTTHMPUIOWQZIH-MRXNPFEDSA-N 1 0 414.583 2.207 20 0 HEADRO CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000741176640 1076395717 /nfs/dbraw/zinc/39/57/17/1076395717.db2.gz SWIFEINNGCWBDA-GOSISDBHSA-N 1 0 401.555 2.455 20 0 HEADRO Cn1nc(Br)c2c1ncnc2NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741242094 1076433345 /nfs/dbraw/zinc/43/33/45/1076433345.db2.gz LBSWWQMITYSZLG-GOSISDBHSA-N 1 0 417.311 2.175 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)CCO1 ZINC000741268140 1076437923 /nfs/dbraw/zinc/43/79/23/1076437923.db2.gz DNKCYENEBGBHGF-RTBURBONSA-N 1 0 407.511 2.052 20 0 HEADRO Cc1ccc([C@H](O)CNC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000741272497 1076439589 /nfs/dbraw/zinc/43/95/89/1076439589.db2.gz ZVSWZLSCEWCLPI-HXUWFJFHSA-N 1 0 400.523 2.129 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000741279003 1076442862 /nfs/dbraw/zinc/44/28/62/1076442862.db2.gz FOBOTXPSHQELAV-KRWDZBQOSA-N 1 0 410.559 2.234 20 0 HEADRO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C)C(=O)Nc1ccc(N3CCOCC3)cc1)CC2 ZINC000741257045 1076445713 /nfs/dbraw/zinc/44/57/13/1076445713.db2.gz RYAIBOLNLJBMJN-JRGCBEDISA-N 1 0 417.550 2.102 20 0 HEADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000741260728 1076448031 /nfs/dbraw/zinc/44/80/31/1076448031.db2.gz JMIAPLFYXFTWKE-UHFFFAOYSA-N 1 0 411.955 2.231 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000741282226 1076453586 /nfs/dbraw/zinc/45/35/86/1076453586.db2.gz URENRGJUHFIFGB-SFHVURJKSA-N 1 0 410.559 2.044 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)CCO1 ZINC000741282642 1076454540 /nfs/dbraw/zinc/45/45/40/1076454540.db2.gz NHMGBSSDTSIJIH-UYAOXDASSA-N 1 0 419.522 2.196 20 0 HEADRO CNC(=O)[C@@H](NC(=O)COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000741318204 1076466558 /nfs/dbraw/zinc/46/65/58/1076466558.db2.gz MESOULPPCKLODF-UNMCSNQZSA-N 1 0 423.513 2.045 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000741338814 1076471496 /nfs/dbraw/zinc/47/14/96/1076471496.db2.gz SPRARPATMFTVGC-QFBILLFUSA-N 1 0 403.523 2.188 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCCc3nnnn3-c3ccccc3)cc2)CC1 ZINC000741339614 1076472901 /nfs/dbraw/zinc/47/29/01/1076472901.db2.gz FCIRHGAELMYWKU-UHFFFAOYSA-N 1 0 406.490 2.204 20 0 HEADRO O=C(NCC[S@@](=O)Cc1ccccc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000741419584 1076510659 /nfs/dbraw/zinc/51/06/59/1076510659.db2.gz KRNLJHJVXZVXOB-MUUNZHRXSA-N 1 0 407.580 2.079 20 0 HEADRO Cc1nccn1-c1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000741410056 1076513154 /nfs/dbraw/zinc/51/31/54/1076513154.db2.gz WVXXJRUOZCUDLN-QHCPKHFHSA-N 1 0 420.517 2.012 20 0 HEADRO O=C(NCc1nc(Cc2ccccc2)no1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741412482 1076514521 /nfs/dbraw/zinc/51/45/21/1076514521.db2.gz PLWMYNMULRPLFG-QHCPKHFHSA-N 1 0 421.501 2.097 20 0 HEADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ncc(C)c(OC)c3C)cn2)CC1 ZINC000065304205 1076516855 /nfs/dbraw/zinc/51/68/55/1076516855.db2.gz QPXLWRGBLHBFNJ-UHFFFAOYSA-N 1 0 412.538 2.243 20 0 HEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000741428784 1076521719 /nfs/dbraw/zinc/52/17/19/1076521719.db2.gz XIRRAOLRPBNONN-OALUTQOASA-N 1 0 423.602 2.101 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(Cc3ccccc3)C[C@H](C)O)cc2)CC1 ZINC000741424651 1076534298 /nfs/dbraw/zinc/53/42/98/1076534298.db2.gz GJEDBCWFOIWTGE-IBGZPJMESA-N 1 0 424.545 2.177 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)[C@@H](C)C1 ZINC000741590293 1076547786 /nfs/dbraw/zinc/54/77/86/1076547786.db2.gz PMLMYYCLKBRVII-XJKSGUPXSA-N 1 0 417.959 2.324 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@H](C)C1 ZINC000741592356 1076548031 /nfs/dbraw/zinc/54/80/31/1076548031.db2.gz ZMGLIVMBTUDYEO-CZUORRHYSA-N 1 0 401.960 2.393 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@@H](C)C1 ZINC000741592351 1076548043 /nfs/dbraw/zinc/54/80/43/1076548043.db2.gz ZMGLIVMBTUDYEO-BBRMVZONSA-N 1 0 401.960 2.393 20 0 HEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000741584388 1076553445 /nfs/dbraw/zinc/55/34/45/1076553445.db2.gz JKEQVJYJQCQFCB-MAUKXSAKSA-N 1 0 408.506 2.252 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000741583469 1076553947 /nfs/dbraw/zinc/55/39/47/1076553947.db2.gz FLOHVEAFTKRIGL-NKNQFRNOSA-N 1 0 422.529 2.405 20 0 HEADRO Cn1ncc2c1nc(CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[nH]c2=O ZINC000741604428 1076562606 /nfs/dbraw/zinc/56/26/06/1076562606.db2.gz DABXJNNZCUWNAS-UGSOOPFHSA-N 1 0 414.535 2.262 20 0 HEADRO COC(=O)N(C)CCCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000741611630 1076565606 /nfs/dbraw/zinc/56/56/06/1076565606.db2.gz NAWGBTZBLDDETM-SFHVURJKSA-N 1 0 404.511 2.270 20 0 HEADRO CCc1nc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)nn1-c1ccccc1F ZINC000741691601 1076588238 /nfs/dbraw/zinc/58/82/38/1076588238.db2.gz AUVGYTQATGBRQF-MRXNPFEDSA-N 1 0 401.486 2.342 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](CC(=O)OC)c3ccccc32)CC1=O ZINC000741699316 1076595907 /nfs/dbraw/zinc/59/59/07/1076595907.db2.gz PORICGUFDULTLS-FGTMMUONSA-N 1 0 413.518 2.013 20 0 HEADRO Cc1cccc(C2(O)CC[NH+]([C@H](C)C(=O)N3CCN(c4ncccn4)CC3)CC2)c1C ZINC000741808076 1076634090 /nfs/dbraw/zinc/63/40/90/1076634090.db2.gz HIAURZCJKFZWLJ-HXUWFJFHSA-N 1 0 423.561 2.114 20 0 HEADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000804263217 1076677181 /nfs/dbraw/zinc/67/71/81/1076677181.db2.gz KYPHJRZGJGRBLQ-SFHVURJKSA-N 1 0 424.586 2.081 20 0 HEADRO CN(CCCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1=NS(=O)(=O)c2ccccc21 ZINC000741933473 1076680133 /nfs/dbraw/zinc/68/01/33/1076680133.db2.gz MIRDSIHFRKMGFB-SFHVURJKSA-N 1 0 422.595 2.330 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)[C@H](C)C1 ZINC000741954040 1076693234 /nfs/dbraw/zinc/69/32/34/1076693234.db2.gz BPBRVCNBSBSMFB-AEFFLSMTSA-N 1 0 420.579 2.036 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=S)NCCCN3CCOCC3)cc2)CC1 ZINC000737458737 1076696882 /nfs/dbraw/zinc/69/68/82/1076696882.db2.gz AYDAGKVWBFJVLH-UHFFFAOYSA-N 1 0 419.639 2.473 20 0 HEADRO C[C@@H](CNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[NH+]1CCC(C)CC1 ZINC000742056761 1076720567 /nfs/dbraw/zinc/72/05/67/1076720567.db2.gz BXCMXSSYPQPIDO-KRWDZBQOSA-N 1 0 420.579 2.084 20 0 HEADRO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000742098006 1076749623 /nfs/dbraw/zinc/74/96/23/1076749623.db2.gz CWFFHSKDXAFUHY-HXUWFJFHSA-N 1 0 400.523 2.423 20 0 HEADRO C[C@]1(c2ccc(Br)cc2)CC(=O)N(CN2CC[C@H]([NH+]3CC=CC3)C2)C1=O ZINC000742164462 1076761197 /nfs/dbraw/zinc/76/11/97/1076761197.db2.gz ZZHXQRAWRDKVNS-FXAWDEMLSA-N 1 0 418.335 2.369 20 0 HEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC34CC[NH+](C)CC4)C2)s1 ZINC000742186525 1076776268 /nfs/dbraw/zinc/77/62/68/1076776268.db2.gz DMTLVGGCWFTFHP-MRXNPFEDSA-N 1 0 411.593 2.154 20 0 HEADRO C[NH+]1CCC2(CCN2C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 ZINC000742186510 1076776354 /nfs/dbraw/zinc/77/63/54/1076776354.db2.gz DCSTVGJVMPLBCQ-NVMNQCDNSA-N 1 0 417.575 2.396 20 0 HEADRO COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCC34CC[NH+](C)CC4)CC2)c1 ZINC000742186454 1076776468 /nfs/dbraw/zinc/77/64/68/1076776468.db2.gz AXVIJMUXJRWRFT-UHFFFAOYSA-N 1 0 415.534 2.253 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000742241065 1076803920 /nfs/dbraw/zinc/80/39/20/1076803920.db2.gz SQTZOTOWVHBGFL-KRWDZBQOSA-N 1 0 419.591 2.177 20 0 HEADRO CCC[NH+]1CCC(CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 ZINC000742248065 1076805792 /nfs/dbraw/zinc/80/57/92/1076805792.db2.gz NIVJJCCVEXFUTA-UHFFFAOYSA-N 1 0 424.498 2.034 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000742275276 1076808282 /nfs/dbraw/zinc/80/82/82/1076808282.db2.gz MRKJYVSLLBWLRS-QUCCMNQESA-N 1 0 421.563 2.191 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC000742277105 1076808408 /nfs/dbraw/zinc/80/84/08/1076808408.db2.gz SBTHLURXULSTHT-UHFFFAOYSA-N 1 0 423.579 2.453 20 0 HEADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000742304547 1076812932 /nfs/dbraw/zinc/81/29/32/1076812932.db2.gz IKPIQRSHYORVPT-BXUZGUMPSA-N 1 0 419.341 2.196 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000742304390 1076813114 /nfs/dbraw/zinc/81/31/14/1076813114.db2.gz FPVYDQCJTAXERA-YLJYHZDGSA-N 1 0 423.579 2.389 20 0 HEADRO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742308061 1076814014 /nfs/dbraw/zinc/81/40/14/1076814014.db2.gz CFRWAQAXUYVERC-UXHICEINSA-N 1 0 423.579 2.391 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000742290829 1076818382 /nfs/dbraw/zinc/81/83/82/1076818382.db2.gz QAAWYEPCOVVNNV-IBGZPJMESA-N 1 0 423.579 2.091 20 0 HEADRO 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20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)C1 ZINC000742868629 1076890231 /nfs/dbraw/zinc/89/02/31/1076890231.db2.gz SRVJRRSZEQIYMU-HNNXBMFYSA-N 1 0 407.536 2.043 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)C1 ZINC000742901971 1076895249 /nfs/dbraw/zinc/89/52/49/1076895249.db2.gz UANNPWCHKHTFGV-SFHVURJKSA-N 1 0 401.511 2.157 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000742915414 1076897028 /nfs/dbraw/zinc/89/70/28/1076897028.db2.gz KLZSRJSZQWLYGK-ZRNYNZGJSA-N 1 0 419.591 2.499 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000742916169 1076897206 /nfs/dbraw/zinc/89/72/06/1076897206.db2.gz VHEJXIWVCRQWNT-MRXNPFEDSA-N 1 0 411.543 2.414 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)cc2)CC1 ZINC000743079589 1076945416 /nfs/dbraw/zinc/94/54/16/1076945416.db2.gz QWRRBNKSLSRZPR-LJQANCHMSA-N 1 0 411.554 2.353 20 0 HEADRO 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CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786113003 1080406338 /nfs/dbraw/zinc/40/63/38/1080406338.db2.gz KWKZFGYAJKRVHP-KRWDZBQOSA-N 1 0 418.538 2.495 20 0 HEADRO CC(=O)N1CCC([NH+]2CCN(CCCc3nc(-c4cccs4)no3)CC2)CC1 ZINC000768215776 1080418676 /nfs/dbraw/zinc/41/86/76/1080418676.db2.gz YHKJRGXBTCADRF-UHFFFAOYSA-N 1 0 403.552 2.359 20 0 HEADRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768224913 1080429237 /nfs/dbraw/zinc/42/92/37/1080429237.db2.gz UWESXQPCAUTYJZ-QUCCMNQESA-N 1 0 405.539 2.113 20 0 HEADRO C[C@@H]1[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCN1C(=O)OC(C)(C)C ZINC000786161005 1080434500 /nfs/dbraw/zinc/43/45/00/1080434500.db2.gz HGSWKWOQLPQOFB-AEFFLSMTSA-N 1 0 417.554 2.095 20 0 HEADRO C[C@@H]1[C@@H](C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786164864 1080435269 /nfs/dbraw/zinc/43/52/69/1080435269.db2.gz BIZMKGPBYDATCX-CVEARBPZSA-N 1 0 403.527 2.417 20 0 HEADRO O=C([C@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCOCC2)C1)N1CCOCC1 ZINC000768234462 1080435556 /nfs/dbraw/zinc/43/55/56/1080435556.db2.gz LMEXOIKBGCZOSC-FQEVSTJZSA-N 1 0 424.545 2.142 20 0 HEADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000786127657 1080447760 /nfs/dbraw/zinc/44/77/60/1080447760.db2.gz XGRQOIWTBQSTTN-RAXLEYEMSA-N 1 0 402.516 2.455 20 0 HEADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1 ZINC000768271795 1080453693 /nfs/dbraw/zinc/45/36/93/1080453693.db2.gz LSACFIGWNNGXME-IEBWSBKVSA-N 1 0 420.554 2.351 20 0 HEADRO O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@@]2(O)CCc3ccccc3C2)cc1 ZINC000786138076 1080460321 /nfs/dbraw/zinc/46/03/21/1080460321.db2.gz PKBSTRKCZLBBES-RUZDIDTESA-N 1 0 421.541 2.048 20 0 HEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000786183102 1080461741 /nfs/dbraw/zinc/46/17/41/1080461741.db2.gz DIRDZBVCZMJKST-RHSMWYFYSA-N 1 0 400.516 2.096 20 0 HEADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@@H]1CCCC2(C1)OCCO2 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IZYPRXKYPAVIPL-TZIWHRDSSA-N 1 0 415.534 2.454 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000786267029 1080549065 /nfs/dbraw/zinc/54/90/65/1080549065.db2.gz DVVAOVOCGDCVGU-IBGZPJMESA-N 1 0 415.465 2.289 20 0 HEADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)[NH+](C)C)c1 ZINC000786269798 1080551089 /nfs/dbraw/zinc/55/10/89/1080551089.db2.gz SCMVLHRYKBEKAD-AWEZNQCLSA-N 1 0 410.396 2.467 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000786330024 1080564526 /nfs/dbraw/zinc/56/45/26/1080564526.db2.gz AUCUFKYTQWCONQ-ZWKOTPCHSA-N 1 0 407.580 2.399 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)CC1 ZINC000786330413 1080565428 /nfs/dbraw/zinc/56/54/28/1080565428.db2.gz KXJGFMGZRDXFQD-NRFANRHFSA-N 1 0 401.551 2.195 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)CC1 ZINC000786330783 1080565453 /nfs/dbraw/zinc/56/54/53/1080565453.db2.gz BTVOXURSQHMYAL-HXUWFJFHSA-N 1 0 405.514 2.087 20 0 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BAOGOELMRINJEN-ZDUSSCGKSA-N 1 0 409.412 2.430 20 0 HEADRO C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H](O)c1c(F)cccc1Cl ZINC000768727363 1080755968 /nfs/dbraw/zinc/75/59/68/1080755968.db2.gz ODTCLYVSOLVLNV-DIFFPNOSSA-N 1 0 417.828 2.237 20 0 HEADRO Cn1ccnc1-c1csc(NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000768735947 1080761306 /nfs/dbraw/zinc/76/13/06/1080761306.db2.gz XBSWTNRSCGWIQE-UHFFFAOYSA-N 1 0 416.551 2.395 20 0 HEADRO O=C(NC[C@H]1CSCCS1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768738470 1080762589 /nfs/dbraw/zinc/76/25/89/1080762589.db2.gz IWLOHJJAFFXYEX-SFHVURJKSA-N 1 0 423.604 2.455 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000768747184 1080770631 /nfs/dbraw/zinc/77/06/31/1080770631.db2.gz LBLOAOXHMIBRFK-SFHVURJKSA-N 1 0 414.550 2.375 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000786725305 1080776496 /nfs/dbraw/zinc/77/64/96/1080776496.db2.gz SHOGXWCVZSCHNI-YQQAZPJKSA-N 1 0 413.588 2.114 20 0 HEADRO 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C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](c2ccco2)C1 ZINC000787135540 1081022026 /nfs/dbraw/zinc/02/20/26/1081022026.db2.gz ACNQVBVSXXKKFF-NZSAHSFTSA-N 1 0 403.523 2.339 20 0 HEADRO Cc1ccccc1C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787136300 1081022632 /nfs/dbraw/zinc/02/26/32/1081022632.db2.gz GJYWGIHDGRZKLI-FGZHOGPDSA-N 1 0 413.562 2.288 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3nccn3C)C2)CC1 ZINC000787143463 1081027106 /nfs/dbraw/zinc/02/71/06/1081027106.db2.gz LDAYVQAIVDZPRI-HXUWFJFHSA-N 1 0 423.561 2.215 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1nc(C2CC2)cc(C(F)(F)F)c1=O ZINC000746645399 1081030354 /nfs/dbraw/zinc/03/03/54/1081030354.db2.gz DNOMSMGEMBLDHH-COXVUDFISA-N 1 0 400.445 2.281 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CN1c2cccc(Br)c2C(=O)C1=O ZINC000746647384 1081031935 /nfs/dbraw/zinc/03/19/35/1081031935.db2.gz IRTKLZQVFQRNGG-XNRPHZJLSA-N 1 0 422.323 2.119 20 0 HEADRO 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CCCN(CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000787190572 1081056058 /nfs/dbraw/zinc/05/60/58/1081056058.db2.gz AEDAAISMHCYNII-UHFFFAOYSA-N 1 0 424.586 2.273 20 0 HEADRO [NH3+]CCN(c1nnc(Cl)c2c1CCC2)S(=O)(=O)c1cccc2cnccc21 ZINC001170070509 1081057885 /nfs/dbraw/zinc/05/78/85/1081057885.db2.gz CMYLAAZDLHWGAV-UHFFFAOYSA-N 1 0 403.895 2.321 20 0 HEADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)C1 ZINC000769382157 1081058211 /nfs/dbraw/zinc/05/82/11/1081058211.db2.gz CONZTSOSWKVCSB-MRXNPFEDSA-N 1 0 411.493 2.340 20 0 HEADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000769336465 1081061783 /nfs/dbraw/zinc/06/17/83/1081061783.db2.gz AQTCTKGLHMZGKP-ZFWWWQNUSA-N 1 0 407.383 2.312 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000769398373 1081062155 /nfs/dbraw/zinc/06/21/55/1081062155.db2.gz QNAFPEGCIYSSOO-UHFFFAOYSA-N 1 0 411.493 2.482 20 0 HEADRO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769422888 1081068944 /nfs/dbraw/zinc/06/89/44/1081068944.db2.gz FIRRWXVBUGZQSZ-CRAIPNDOSA-N 1 0 407.559 2.300 20 0 HEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)C1 ZINC000787255398 1081073750 /nfs/dbraw/zinc/07/37/50/1081073750.db2.gz HZXWZTXAEBRTMB-HXUWFJFHSA-N 1 0 418.538 2.055 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C2CCC(C(F)(F)F)CC2)C1 ZINC000769437864 1081074017 /nfs/dbraw/zinc/07/40/17/1081074017.db2.gz CEOSEYVKXOAWGD-GPANFISMSA-N 1 0 408.461 2.371 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(OC(C)C)c(OC)c2)C[C@@H]1C ZINC000787231811 1081080161 /nfs/dbraw/zinc/08/01/61/1081080161.db2.gz LXMQAGNIOAQICL-FUHWJXTLSA-N 1 0 405.539 2.430 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccc1OC(C)C ZINC000787232813 1081080662 /nfs/dbraw/zinc/08/06/62/1081080662.db2.gz GXFFLDHBEUMOMG-KRWDZBQOSA-N 1 0 405.539 2.335 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000769490093 1081080972 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ZUUXKDLIBQSEHH-KRWDZBQOSA-N 1 0 424.549 2.217 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+]([C@H]1CCCN(Cc3ccc(F)cc3F)C1=O)CC2 ZINC000787292325 1081095649 /nfs/dbraw/zinc/09/56/49/1081095649.db2.gz FHYJIIVDGZTXKT-SFHVURJKSA-N 1 0 421.444 2.240 20 0 HEADRO [NH3+]CCN(c1ccc(-c2cccnc2)nn1)S(=O)(=O)c1cccc2cnccc21 ZINC001170071563 1081095720 /nfs/dbraw/zinc/09/57/20/1081095720.db2.gz WRFQFTWWYWXMMR-UHFFFAOYSA-N 1 0 406.471 2.241 20 0 HEADRO C[C@@H]1CN(CCNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769501569 1081099019 /nfs/dbraw/zinc/09/90/19/1081099019.db2.gz BPXAQCFYNWQZIJ-PBHICJAKSA-N 1 0 402.461 2.328 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000787265364 1081099458 /nfs/dbraw/zinc/09/94/58/1081099458.db2.gz ZLDNVTWCISCOPL-MAUKXSAKSA-N 1 0 410.559 2.184 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000787267488 1081100628 /nfs/dbraw/zinc/10/06/28/1081100628.db2.gz UCVRJXIHRPKGIG-KSSFIOAISA-N 1 0 400.926 2.085 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000787272527 1081103511 /nfs/dbraw/zinc/10/35/11/1081103511.db2.gz UCDBTIORNIRBLI-CVEARBPZSA-N 1 0 419.513 2.496 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769531615 1081112418 /nfs/dbraw/zinc/11/24/18/1081112418.db2.gz JNVOZYBWGHWDBK-NEWSRXKRSA-N 1 0 420.554 2.082 20 0 HEADRO CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000769590347 1081140066 /nfs/dbraw/zinc/14/00/66/1081140066.db2.gz CISGBKKVYVYVEY-QGZVFWFLSA-N 1 0 424.586 2.035 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(=O)[nH]c1=O ZINC000769630350 1081147784 /nfs/dbraw/zinc/14/77/84/1081147784.db2.gz ICCVJVSMXPYGCG-JKSUJKDBSA-N 1 0 414.572 2.070 20 0 HEADRO O=C1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)CC2(CC[NH2+]CC2)N1 ZINC001164390688 718809536 /nfs/dbraw/zinc/80/95/36/718809536.db2.gz CPPPECBIIBXJCR-UHFFFAOYSA-N 1 0 407.852 2.400 20 0 HEADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164398717 718833359 /nfs/dbraw/zinc/83/33/59/718833359.db2.gz KBCWWVFJHFTLCS-JTQLQIEISA-N 1 0 404.248 2.455 20 0 HEADRO COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)c(Cl)nn2)cc1 ZINC001164410242 718854816 /nfs/dbraw/zinc/85/48/16/718854816.db2.gz ZKXDRMXVKVNSLB-SCLBCKFNSA-N 1 0 410.852 2.369 20 0 HEADRO O=C1COCC2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC2)N1 ZINC001164423256 718936657 /nfs/dbraw/zinc/93/66/57/718936657.db2.gz FUKFOZIRTBBRTD-UHFFFAOYSA-N 1 0 412.868 2.142 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN([C@H](F)Oc1ccnc(Cl)c1)C2 ZINC001164434469 718969126 /nfs/dbraw/zinc/96/91/26/718969126.db2.gz RBOSISWGFCAYGL-RRFJBIMHSA-N 1 0 411.783 2.384 20 0 HEADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN([C@H](F)Oc1cncc(Cl)n1)C2 ZINC001164614159 719011274 /nfs/dbraw/zinc/01/12/74/719011274.db2.gz DEJWLOLSZHEDAK-FMEYXAORSA-N 1 0 412.893 2.407 20 0 HEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164615240 719013597 /nfs/dbraw/zinc/01/35/97/719013597.db2.gz HQASYEVHNAXMND-HJNYFJLDSA-N 1 0 406.530 2.370 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)c(F)cc3C(N)=O)CC2)CC1 ZINC001164613911 719024172 /nfs/dbraw/zinc/02/41/72/719024172.db2.gz JPBKHCSWCQYYMJ-UHFFFAOYSA-N 1 0 412.893 2.217 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)n2)CC1 ZINC001164646624 719294340 /nfs/dbraw/zinc/29/43/40/719294340.db2.gz PBXSBFOJNKTHEX-QTEQDKRBSA-N 1 0 409.534 2.181 20 0 HEADRO COCCOc1cc2ncnc(N3CC[NH+](CC(C)C)CC3)c2cc1OCCOC ZINC001164651642 719330687 /nfs/dbraw/zinc/33/06/87/719330687.db2.gz GRLXAEPSFZSRIU-UHFFFAOYSA-N 1 0 418.538 2.458 20 0 HEADRO CC(C)N(C)Cc1nn(-c2ccnc(NC(=O)OC(C)(C)C)n2)c2c1CC[NH2+]C2 ZINC001164683640 719613830 /nfs/dbraw/zinc/61/38/30/719613830.db2.gz KNXIMCZGXOUDCR-UHFFFAOYSA-N 1 0 401.515 2.495 20 0 HEADRO CCOC(=O)c1ccc2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164681554 719623812 /nfs/dbraw/zinc/62/38/12/719623812.db2.gz HXQZXHCLCGQBEU-UHFFFAOYSA-N 1 0 408.506 2.478 20 0 HEADRO COC(=O)c1c[nH]c2nc(Cl)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164680670 719636421 /nfs/dbraw/zinc/63/64/21/719636421.db2.gz ZUORJKGDIGIDMD-UHFFFAOYSA-N 1 0 417.901 2.070 20 0 HEADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc3[nH]cnc3c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164679482 719640389 /nfs/dbraw/zinc/64/03/89/719640389.db2.gz CCWSNPOHDKMEEW-UHFFFAOYSA-N 1 0 410.860 2.238 20 0 HEADRO CC(C)N(C)Cc1nn(C(F)(F)COc2cncc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164679641 719641417 /nfs/dbraw/zinc/64/14/17/719641417.db2.gz JTEKWELNJUMTIO-UHFFFAOYSA-N 1 0 400.861 2.441 20 0 HEADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(N)ncn3)CC2)c2ccccc21 ZINC001164683142 719676463 /nfs/dbraw/zinc/67/64/63/719676463.db2.gz RAGQOYNAOOGJRG-QGZVFWFLSA-N 1 0 408.550 2.152 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(OC)nc1Cl)CC2 ZINC001164685436 719718620 /nfs/dbraw/zinc/71/86/20/719718620.db2.gz KRJYMNORFBYSTC-UHFFFAOYSA-N 1 0 402.873 2.469 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(OC)c(Cl)n1)CC2 ZINC001164683742 719726364 /nfs/dbraw/zinc/72/63/64/719726364.db2.gz FKSNVSOFKSLGMH-UHFFFAOYSA-N 1 0 402.873 2.469 20 0 HEADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc4c(n2)N(C)CC(=O)N4)CC3)cs1 ZINC001164692541 719810516 /nfs/dbraw/zinc/81/05/16/719810516.db2.gz IYILVECZXTZGFG-UHFFFAOYSA-N 1 0 413.551 2.265 20 0 HEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(C(=O)OC)cn1)CC2 ZINC001164711012 720095023 /nfs/dbraw/zinc/09/50/23/720095023.db2.gz MXYFFLLGYOPHQW-GOSISDBHSA-N 1 0 411.506 2.166 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(C)c1C(N)=O)CC2 ZINC001164719149 720114137 /nfs/dbraw/zinc/11/41/37/720114137.db2.gz WSCHJFMTDSBZQN-IBGZPJMESA-N 1 0 409.534 2.391 20 0 HEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c1NC(=O)CO3)CC2 ZINC001164717437 720120462 /nfs/dbraw/zinc/12/04/62/720120462.db2.gz OZXGGKPHHDSVRL-GOSISDBHSA-N 1 0 423.517 2.315 20 0 HEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)C2 ZINC001164816152 720126469 /nfs/dbraw/zinc/12/64/69/720126469.db2.gz XUQLTHPUCVZGEZ-ZUOKHONESA-N 1 0 408.905 2.302 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(F)cc1C(N)=O)CC2 ZINC001164713022 720134372 /nfs/dbraw/zinc/13/43/72/720134372.db2.gz OXKLRIYNNWJHSD-SFHVURJKSA-N 1 0 413.497 2.222 20 0 HEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cl)c3c1N(C)CCO3)C2 ZINC001164815002 720155401 /nfs/dbraw/zinc/15/54/01/720155401.db2.gz GMSMKUWZKUEZCH-MGPUTAFESA-N 1 0 407.946 2.143 20 0 HEADRO COc1cc(Cl)cnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164712978 720170913 /nfs/dbraw/zinc/17/09/13/720170913.db2.gz IYTZCCAXVJUSJY-INIZCTEOSA-N 1 0 406.918 2.088 20 0 HEADRO Cc1cccc2ncc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc12 ZINC001164718300 720178989 /nfs/dbraw/zinc/17/89/89/720178989.db2.gz OHSCCCGGACICCM-IBGZPJMESA-N 1 0 407.522 2.283 20 0 HEADRO Cc1nc(Cl)c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1C ZINC001164718391 720182756 /nfs/dbraw/zinc/18/27/56/720182756.db2.gz PKQNCZKHCXEBRA-MRXNPFEDSA-N 1 0 405.934 2.092 20 0 HEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCSCC3)ncn1)C2 ZINC001164819054 720187140 /nfs/dbraw/zinc/18/71/40/720187140.db2.gz VUVSNOBQPCEBHD-GHTZIAJQSA-N 1 0 403.596 2.215 20 0 HEADRO Cn1nnc2c1CCN(c1ccc3ncc(F)cc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716171 720194199 /nfs/dbraw/zinc/19/41/99/720194199.db2.gz PFPAGULZONQETE-LJQANCHMSA-N 1 0 411.485 2.114 20 0 HEADRO Cn1nnc2c1CCN(c1ccc(-c3ccco3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717684 720199608 /nfs/dbraw/zinc/19/96/08/720199608.db2.gz WADUINRFLDMQPU-SFHVURJKSA-N 1 0 409.494 2.081 20 0 HEADRO CC(C)COc1nccnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812626 720242677 /nfs/dbraw/zinc/24/26/77/720242677.db2.gz HEYZBZIIMVNHKI-UHFFFAOYSA-N 1 0 400.527 2.319 20 0 HEADRO COC(=O)c1cc(C)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164827764 720292012 /nfs/dbraw/zinc/29/20/12/720292012.db2.gz XXIDBTKKLSCRQI-MOPGFXCFSA-N 1 0 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c1ccc(N2CCN(c3ccc(N4CC[NH+](C[C@H]5CCCO5)CC4)nn3)CC2)cc1 ZINC001165036970 721918911 /nfs/dbraw/zinc/91/89/11/721918911.db2.gz DVUUCVUEZZBCQR-OAQYLSRUSA-N 1 0 408.550 2.104 20 0 HEADRO C[N@H+](Cc1ccc(N2CC[C@@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164939522 721919089 /nfs/dbraw/zinc/91/90/89/721919089.db2.gz UNOFBBLRAKUNCA-NFBKMPQASA-N 1 0 414.550 2.053 20 0 HEADRO O=C(N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CCCO[C@H]12)c1cscn1 ZINC001164948724 722001369 /nfs/dbraw/zinc/00/13/69/722001369.db2.gz AWDZWVFZVLZFLR-IMFGXOCKSA-N 1 0 413.547 2.300 20 0 HEADRO NS(=O)(=O)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)c1 ZINC001164952117 722016397 /nfs/dbraw/zinc/01/63/97/722016397.db2.gz HKGCKRGLXWJLRK-UHFFFAOYSA-N 1 0 421.954 2.270 20 0 HEADRO Cc1ccc(N2C[C@@]3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C3)CC2=O)s1 ZINC001164964717 722043519 /nfs/dbraw/zinc/04/35/19/722043519.db2.gz UXNWVYQQHZLLHU-NRFANRHFSA-N 1 0 412.563 2.232 20 0 HEADRO NC(=O)c1cc(Cl)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 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COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000745456114 1078490791 /nfs/dbraw/zinc/49/07/91/1078490791.db2.gz RDHDVPHHWYRKPP-RCCKNPSSSA-N 1 0 417.575 2.483 20 0 HEADRO O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc2ncccc21 ZINC000769674164 1078514771 /nfs/dbraw/zinc/51/47/71/1078514771.db2.gz UIPFOGHFFQYVSV-ICSRJNTNSA-N 1 0 411.527 2.396 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000769759325 1078543698 /nfs/dbraw/zinc/54/36/98/1078543698.db2.gz ZPLBZCUIYHJSJS-MLGOLLRUSA-N 1 0 415.353 2.409 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1F ZINC000769758831 1078543713 /nfs/dbraw/zinc/54/37/13/1078543713.db2.gz WKECPFKJIPYAPP-WMZOPIPTSA-N 1 0 411.543 2.413 20 0 HEADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000769756422 1078541491 /nfs/dbraw/zinc/54/14/91/1078541491.db2.gz SMHDPCAHMMRUKW-FQEVSTJZSA-N 1 0 423.579 2.391 20 0 HEADRO COC1CC[NH+](C(C)(C)CNC(=O)c2nccn3c(Br)cnc23)CC1 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O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)Nc1ccnn1CC1CC1 ZINC000746379999 1078884510 /nfs/dbraw/zinc/88/45/10/1078884510.db2.gz VOVQTIOFCWYUNG-INIZCTEOSA-N 1 0 401.536 2.322 20 0 HEADRO COC(=O)c1ccc(F)c(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)c1 ZINC001671069261 1078885441 /nfs/dbraw/zinc/88/54/41/1078885441.db2.gz PIHHWTOZTDEBEV-KRWDZBQOSA-N 1 0 406.479 2.474 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000770590679 1078899530 /nfs/dbraw/zinc/89/95/30/1078899530.db2.gz OEFANWSNOUSCSX-RHSMWYFYSA-N 1 0 402.461 2.064 20 0 HEADRO CN1CC[NH+](CCCCNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766350875 1078899791 /nfs/dbraw/zinc/89/97/91/1078899791.db2.gz KZLADOIPKYPPJL-OAQYLSRUSA-N 1 0 416.566 2.179 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2C[C@H](NC(=O)c3cccnc3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001168780443 1078901220 /nfs/dbraw/zinc/90/12/20/1078901220.db2.gz SAEGJUFBMIFXLN-KRPZRDOVSA-N 1 0 401.507 2.165 20 0 HEADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000770661605 1078923773 /nfs/dbraw/zinc/92/37/73/1078923773.db2.gz VPMZKIZMAUFAMN-UHFFFAOYSA-N 1 0 413.522 2.311 20 0 HEADRO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766369484 1078936531 /nfs/dbraw/zinc/93/65/31/1078936531.db2.gz NXVFVOMWCCHNPR-OAHLLOKOSA-N 1 0 418.581 2.006 20 0 HEADRO C[NH+](C)CCCC1CCN(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC1 ZINC000766381293 1078931790 /nfs/dbraw/zinc/93/17/90/1078931790.db2.gz KNVOUHOKFKYUHO-UHFFFAOYSA-N 1 0 406.552 2.093 20 0 HEADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(C)(C)C ZINC000770682189 1078932048 /nfs/dbraw/zinc/93/20/48/1078932048.db2.gz WZKWWVJKBFJRHY-NSHDSACASA-N 1 0 417.018 2.450 20 0 HEADRO CCC[C@H]1CN(CN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)CC[N@@H+]1CCOC ZINC000766372947 1078938717 /nfs/dbraw/zinc/93/87/17/1078938717.db2.gz DSSDWTNRHFXERL-GHTZIAJQSA-N 1 0 422.957 2.497 20 0 HEADRO CC(C)[N@@H+](Cc1ccc(NC(=O)NN2CC(=O)NC2=O)cc1)C[C@@H]1CCCCO1 ZINC000770652288 1078939195 /nfs/dbraw/zinc/93/91/95/1078939195.db2.gz BBQBQJJXIDPKEY-KRWDZBQOSA-N 1 0 403.483 2.054 20 0 HEADRO O=C(Nc1ccnn1Cc1ccccn1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000746437074 1078959679 /nfs/dbraw/zinc/95/96/79/1078959679.db2.gz SNXFYNLIWAXXIP-UHFFFAOYSA-N 1 0 410.522 2.178 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)CCCOC1 ZINC000770693362 1078961400 /nfs/dbraw/zinc/96/14/00/1078961400.db2.gz SWJMHJOVZUCHFJ-ICSRJNTNSA-N 1 0 403.504 2.051 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CCCOC1 ZINC000770693417 1078961570 /nfs/dbraw/zinc/96/15/70/1078961570.db2.gz TZBJUTPXZPELIZ-QHCPKHFHSA-N 1 0 411.502 2.486 20 0 HEADRO NC(CCN1CC[NH+](Cc2ccccc2)CC1)=NOCc1ncn(-c2ccccc2)n1 ZINC000770693800 1078962940 /nfs/dbraw/zinc/96/29/40/1078962940.db2.gz WTNMBBXTDDLCOZ-UHFFFAOYSA-N 1 0 419.533 2.474 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)CCCOC1 ZINC000770697740 1078965973 /nfs/dbraw/zinc/96/59/73/1078965973.db2.gz KRCUMOFZSSJTBX-NRFANRHFSA-N 1 0 400.479 2.130 20 0 HEADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770697746 1078966463 /nfs/dbraw/zinc/96/64/63/1078966463.db2.gz CPYZWXWFGHLCAV-UYRXBGFRSA-N 1 0 422.522 2.175 20 0 HEADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C[C@@H]1C ZINC000766424026 1078974307 /nfs/dbraw/zinc/97/43/07/1078974307.db2.gz PRHOJDHRFURMTP-STQMWFEESA-N 1 0 422.473 2.474 20 0 HEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@@H](CO)CC(C)(C)C)cc2F)CC1 ZINC000746450631 1078975675 /nfs/dbraw/zinc/97/56/75/1078975675.db2.gz HPMZHNVMYDGULJ-MRXNPFEDSA-N 1 0 422.545 2.208 20 0 HEADRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@]2(CC(=O)OC)CCCOC2)cc1 ZINC000770710702 1078978940 /nfs/dbraw/zinc/97/89/40/1078978940.db2.gz UCNGFIHIOFUGMF-SIKLNZKXSA-N 1 0 404.507 2.451 20 0 HEADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000746453122 1078980606 /nfs/dbraw/zinc/98/06/06/1078980606.db2.gz NFIJIXYDODXOCP-BEFAXECRSA-N 1 0 414.506 2.303 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000766417330 1078984278 /nfs/dbraw/zinc/98/42/78/1078984278.db2.gz DUIGBGVUPZCYII-HXUWFJFHSA-N 1 0 415.534 2.358 20 0 HEADRO COc1ccnc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)c1 ZINC001170017134 1078991005 /nfs/dbraw/zinc/99/10/05/1078991005.db2.gz AJCNNZKKNQXMGM-RDJZCZTQSA-N 1 0 422.551 2.091 20 0 HEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC001168791240 1078992324 /nfs/dbraw/zinc/99/23/24/1078992324.db2.gz GBASPMIFFSCFKG-HOCLYGCPSA-N 1 0 409.741 2.203 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)C1 ZINC000746455753 1078993022 /nfs/dbraw/zinc/99/30/22/1078993022.db2.gz VHPRHNKDHBXYOV-RBUKOAKNSA-N 1 0 416.566 2.334 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)C1 ZINC000746455428 1078994185 /nfs/dbraw/zinc/99/41/85/1078994185.db2.gz UIJCECSFMMLBLO-FQEVSTJZSA-N 1 0 424.545 2.319 20 0 HEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccc2c(c1)NC(=O)CO2 ZINC001168792536 1078998382 /nfs/dbraw/zinc/99/83/82/1078998382.db2.gz URFUHWAWVMYXLQ-NECUJFQYSA-N 1 0 421.497 2.126 20 0 HEADRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766438248 1079003990 /nfs/dbraw/zinc/00/39/90/1079003990.db2.gz SMIUFYVBXOUEPW-WBAXXEDZSA-N 1 0 418.581 2.004 20 0 HEADRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000746462157 1079014206 /nfs/dbraw/zinc/01/42/06/1079014206.db2.gz LPDSWMBCEHZHQX-NRFANRHFSA-N 1 0 412.534 2.444 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](CC(C)(C)O)C3CCOCC3)cc2)C[C@@H](C)O1 ZINC000746461927 1079015356 /nfs/dbraw/zinc/01/53/56/1079015356.db2.gz GJDICDDHDSCUTO-QZTJIDSGSA-N 1 0 419.566 2.491 20 0 HEADRO COCOc1ccc(OC)cc1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000766467250 1079026266 /nfs/dbraw/zinc/02/62/66/1079026266.db2.gz DCTKVPWDMHMFLS-UHFFFAOYSA-N 1 0 408.467 2.032 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000770804872 1079026956 /nfs/dbraw/zinc/02/69/56/1079026956.db2.gz YNQBTRORBDYJOF-VQIMIIECSA-N 1 0 416.522 2.204 20 0 HEADRO CCOC(=O)C1=C(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)NC(=O)N[C@@H]1c1ccco1 ZINC000746473010 1079027037 /nfs/dbraw/zinc/02/70/37/1079027037.db2.gz SHIHBKXOFOUMHH-IDHHARJASA-N 1 0 404.511 2.113 20 0 HEADRO C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000746474044 1079028304 /nfs/dbraw/zinc/02/83/04/1079028304.db2.gz ZZUJVKFQHRZUQC-UXHICEINSA-N 1 0 423.579 2.139 20 0 HEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)cc1 ZINC001168800372 1079040794 /nfs/dbraw/zinc/04/07/94/1079040794.db2.gz CNWPYWXDYDMKMI-PBHICJAKSA-N 1 0 403.504 2.167 20 0 HEADRO CCOC(=O)c1sc2nc(CN(C)C)nc(-n3cc4c(n3)CC[C@@H]([NH3+])C4)c2c1C ZINC001168813042 1079044941 /nfs/dbraw/zinc/04/49/41/1079044941.db2.gz USXVBOLRXUIMAW-CYBMUJFWSA-N 1 0 414.535 2.240 20 0 HEADRO CCN1C[C@H]2CC[N@@H+]([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)CC[C@H]2S1(=O)=O ZINC001168852419 1079052313 /nfs/dbraw/zinc/05/23/13/1079052313.db2.gz BYLZUOQKGQCRGO-QBPKDAKJSA-N 1 0 401.573 2.130 20 0 HEADRO C[C@H]1C[C@H]([N@@H+]2CCCC23CCN(CC(=O)N(C)C)CC3)CN1C(=O)OC(C)(C)C ZINC001168865415 1079057321 /nfs/dbraw/zinc/05/73/21/1079057321.db2.gz MBQFOYAKSKZGFX-ROUUACIJSA-N 1 0 408.587 2.403 20 0 HEADRO CNS(=O)(=O)c1ccc(C(=O)OCC2(C)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000770879972 1079058308 /nfs/dbraw/zinc/05/83/08/1079058308.db2.gz IIRQVKYJWLHZHL-UHFFFAOYSA-N 1 0 417.531 2.449 20 0 HEADRO COCCO[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@H]1Cc1cnn(C)c1 ZINC001168870156 1079059307 /nfs/dbraw/zinc/05/93/07/1079059307.db2.gz ZVCFTEXHHRSLCC-LMCOJAPRSA-N 1 0 422.570 2.466 20 0 HEADRO 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 ZINC001168850831 1079062234 /nfs/dbraw/zinc/06/22/34/1079062234.db2.gz RIEKFESOSZZVSY-NNIGNNQHSA-N 1 0 423.554 2.133 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)COc3ccc(OC)cc3)CC2=O)cc1 ZINC001168892297 1079062960 /nfs/dbraw/zinc/06/29/60/1079062960.db2.gz LNNXZHWEIIXVQX-RBUKOAKNSA-N 1 0 414.502 2.224 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]CCc3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 ZINC001168894631 1079063762 /nfs/dbraw/zinc/06/37/62/1079063762.db2.gz XAAKRKSVHZYWKY-LJQANCHMSA-N 1 0 416.543 2.422 20 0 HEADRO COc1ccc(CN2CC[C@H](n3cc(C[C@@H]([NH3+])C(N)=O)c4ccccc43)CC2=O)cc1 ZINC001168898627 1079064559 /nfs/dbraw/zinc/06/45/59/1079064559.db2.gz BBDLXXFKCDCHKW-GHTZIAJQSA-N 1 0 420.513 2.369 20 0 HEADRO CCOC(=O)c1cnc(-c2ccccc2)nc1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001168876702 1079065312 /nfs/dbraw/zinc/06/53/12/1079065312.db2.gz JCAZFXIGWKWATF-UHFFFAOYSA-N 1 0 401.430 2.422 20 0 HEADRO CCC[C@@H]1CN(C(=O)CCC(=O)N2CCOc3ccccc32)CC[N@@H+]1CCOC ZINC000766535594 1079070917 /nfs/dbraw/zinc/07/09/17/1079070917.db2.gz QMDQYBVDURSELN-GOSISDBHSA-N 1 0 403.523 2.152 20 0 HEADRO COc1ccc(CN2CC[C@H](n3ccncc3=N[C@H]3CC[C@H]([NH3+])CC3)CC2=O)cc1 ZINC001168912454 1079073963 /nfs/dbraw/zinc/07/39/63/1079073963.db2.gz BSDUPPMYUKJCIU-UFYCRDLUSA-N 1 0 409.534 2.426 20 0 HEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(S(=O)(=O)NC4CCCC4)c3)C[C@@]2(C)C1 ZINC001168931937 1079077664 /nfs/dbraw/zinc/07/76/64/1079077664.db2.gz SMKYEQQQCYCXCT-OYRHEFFESA-N 1 0 405.564 2.321 20 0 HEADRO COc1ccc(CN2CC[C@H](N3CCN(C(=O)OC(C)(C)C)C(=O)C3)CC2=O)cc1 ZINC001168945203 1079082902 /nfs/dbraw/zinc/08/29/02/1079082902.db2.gz UTZFOEVZNDVGFF-KRWDZBQOSA-N 1 0 417.506 2.266 20 0 HEADRO CCOC(=O)c1nn([C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)c2c1C[NH2+]CC2 ZINC001168946021 1079083270 /nfs/dbraw/zinc/08/32/70/1079083270.db2.gz HNHUMCCKFJGBQK-INIZCTEOSA-N 1 0 412.490 2.078 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000766553223 1079083716 /nfs/dbraw/zinc/08/37/16/1079083716.db2.gz QLNWHIBWCIVUCG-QFIPXVFZSA-N 1 0 400.523 2.034 20 0 HEADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000766543021 1079084516 /nfs/dbraw/zinc/08/45/16/1079084516.db2.gz YHKWNZJKJKCYHJ-UHFFFAOYSA-N 1 0 411.568 2.269 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CCC[C@@H](NC(=O)c4ccccn4)C3)CC2=O)cc1 ZINC001168952005 1079085209 /nfs/dbraw/zinc/08/52/09/1079085209.db2.gz BSPKVDZIADKUJC-UXHICEINSA-N 1 0 422.529 2.476 20 0 HEADRO COc1ccc(CN2CC[C@@H](N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)CC2=O)cc1 ZINC001168929067 1079087621 /nfs/dbraw/zinc/08/76/21/1079087621.db2.gz HIWQLURXKGRWRX-WOJBJXKFSA-N 1 0 411.550 2.076 20 0 HEADRO COCCOC(=O)Nc1cccc(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000746167411 1079092470 /nfs/dbraw/zinc/09/24/70/1079092470.db2.gz XCBFWHXCNXYDAO-JOCHJYFZSA-N 1 0 413.474 2.457 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(c4cc(OC)ccn4)CC3)CC2=O)cc1 ZINC001168955539 1079090747 /nfs/dbraw/zinc/09/07/47/1079090747.db2.gz QFVMMKOLBDKZCA-LJQANCHMSA-N 1 0 410.518 2.412 20 0 HEADRO COC(=O)c1cn([C@@H]2CC[N@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)nn1 ZINC001169013744 1079099876 /nfs/dbraw/zinc/09/98/76/1079099876.db2.gz JGAYVAJEXBDEKG-JKSUJKDBSA-N 1 0 407.515 2.349 20 0 HEADRO NC(=O)C1CCN(c2ccc(-n3c(CCC[NH3+])nc4ccc(Cl)cc43)nn2)CC1 ZINC001168991109 1079101791 /nfs/dbraw/zinc/10/17/91/1079101791.db2.gz FLKCPZUIECBROO-UHFFFAOYSA-N 1 0 413.913 2.062 20 0 HEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC1 ZINC001169040343 1079107615 /nfs/dbraw/zinc/10/76/15/1079107615.db2.gz CXZWXRXZNCMPTL-HTAPYJJXSA-N 1 0 409.571 2.471 20 0 HEADRO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)cn1 ZINC001170021125 1079117055 /nfs/dbraw/zinc/11/70/55/1079117055.db2.gz VSBAZGAOHCXEJO-HOTGVXAUSA-N 1 0 422.551 2.091 20 0 HEADRO COC(=O)[C@](C)(N)Cc1cn(-c2cc(C3C[NH2+]C3)nc(SC)n2)c2ccccc12 ZINC001169105922 1079132551 /nfs/dbraw/zinc/13/25/51/1079132551.db2.gz MMSFBPDXQPCNNG-OAQYLSRUSA-N 1 0 411.531 2.262 20 0 HEADRO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766601291 1079147713 /nfs/dbraw/zinc/14/77/13/1079147713.db2.gz CGKAOQJKBRVARE-UHFFFAOYSA-N 1 0 420.941 2.457 20 0 HEADRO COC1CCC([NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170021357 1079141042 /nfs/dbraw/zinc/14/10/42/1079141042.db2.gz CIXJNRVPUTUJTN-MYBQVCMBSA-N 1 0 413.584 2.445 20 0 HEADRO COC(=O)[C@H](C[NH3+])Cc1ccc(-n2cc(C[C@@](C)(N)C(=O)OC)c3ccccc32)cc1 ZINC001169117725 1079141706 /nfs/dbraw/zinc/14/17/06/1079141706.db2.gz XMGRPLXJGPZFGE-BXKMTCNYSA-N 1 0 423.513 2.354 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000766603343 1079152558 /nfs/dbraw/zinc/15/25/58/1079152558.db2.gz GAJILPXTXDYTKZ-SFHVURJKSA-N 1 0 414.550 2.327 20 0 HEADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H](C)C3CCCCCC3)C2=O)cc1 ZINC001169137165 1079154801 /nfs/dbraw/zinc/15/48/01/1079154801.db2.gz QLUUBCNHJRIGOS-QRQCRPRQSA-N 1 0 416.522 2.442 20 0 HEADRO CC(C)[N@H+](C)CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771106442 1079155580 /nfs/dbraw/zinc/15/55/80/1079155580.db2.gz MEKWIOVNWCFQLM-LJQANCHMSA-N 1 0 412.893 2.093 20 0 HEADRO CC1CC[NH+](CCNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771115302 1079160193 /nfs/dbraw/zinc/16/01/93/1079160193.db2.gz QMNZJJLARHAABX-HXUWFJFHSA-N 1 0 424.904 2.094 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 ZINC000766592502 1079160429 /nfs/dbraw/zinc/16/04/29/1079160429.db2.gz KDPNQMBGHQWEHA-UHFFFAOYSA-N 1 0 416.522 2.158 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)CC1 ZINC000766595002 1079162778 /nfs/dbraw/zinc/16/27/78/1079162778.db2.gz PTFOEVDVTDXWEF-UHFFFAOYSA-N 1 0 418.929 2.440 20 0 HEADRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3cccc(NS(C)(=O)=O)c3)C2)c1 ZINC001169149313 1079165970 /nfs/dbraw/zinc/16/59/70/1079165970.db2.gz JPQMMNCAJLMROR-HXUWFJFHSA-N 1 0 401.532 2.300 20 0 HEADRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001169151049 1079167312 /nfs/dbraw/zinc/16/73/12/1079167312.db2.gz ZGCYFUQDOVYALO-MSOLQXFVSA-N 1 0 419.522 2.142 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001169162393 1079171096 /nfs/dbraw/zinc/17/10/96/1079171096.db2.gz LYXXYVBDFGSKFP-LBPRGKRZSA-N 1 0 423.439 2.200 20 0 HEADRO C[NH+](C)C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771127461 1079182213 /nfs/dbraw/zinc/18/22/13/1079182213.db2.gz LQUFDZGMLZDING-VLIAUNLRSA-N 1 0 424.904 2.189 20 0 HEADRO Cc1cncc([C@H]([NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C2CC2)c1 ZINC001169197384 1079183027 /nfs/dbraw/zinc/18/30/27/1079183027.db2.gz VLSGDINHTZTDCC-VQIMIIECSA-N 1 0 424.549 2.437 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001169203170 1079184943 /nfs/dbraw/zinc/18/49/43/1079184943.db2.gz UAUQBVKPWDBOEA-WMZOPIPTSA-N 1 0 410.522 2.225 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001169176789 1079189947 /nfs/dbraw/zinc/18/99/47/1079189947.db2.gz PQLDWJSALKEBNL-ZTFGCOKTSA-N 1 0 413.497 2.277 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(c2ccccc2F)CC1 ZINC001169181173 1079193134 /nfs/dbraw/zinc/19/31/34/1079193134.db2.gz LSEQKUSIAXRXFR-HNNXBMFYSA-N 1 0 413.497 2.411 20 0 HEADRO CC[NH+](CC)C[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771146508 1079194641 /nfs/dbraw/zinc/19/46/41/1079194641.db2.gz TVQSDSHSYARHAL-BUXKBTBVSA-N 1 0 412.893 2.093 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000771192232 1079195017 /nfs/dbraw/zinc/19/50/17/1079195017.db2.gz WUFUCAWLPCLZFI-QGZVFWFLSA-N 1 0 414.550 2.486 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CCc1ccccc1F ZINC001169210926 1079196531 /nfs/dbraw/zinc/19/65/31/1079196531.db2.gz AYYHRUVMSFSLDW-INIZCTEOSA-N 1 0 415.513 2.306 20 0 HEADRO Cc1cccc(C)c1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000766625220 1079201227 /nfs/dbraw/zinc/20/12/27/1079201227.db2.gz RVRZSYVOGORXQF-UHFFFAOYSA-N 1 0 422.529 2.256 20 0 HEADRO Cc1c(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cccc1N1CCOC1=O ZINC000771167380 1079205364 /nfs/dbraw/zinc/20/53/64/1079205364.db2.gz HEVAZSRLMKRWLE-UHFFFAOYSA-N 1 0 403.527 2.489 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(CN3C(=O)NC4(C3=O)[C@@H](C)CCC[C@@H]4C)CC2)CC1 ZINC000771172277 1079208315 /nfs/dbraw/zinc/20/83/15/1079208315.db2.gz ATWPRMQUXFQFLG-OALUTQOASA-N 1 0 419.614 2.181 20 0 HEADRO CCC1CCC2(CC1)NC(=O)N(CN1CCN(C3CC[NH+](C(C)C)CC3)CC1)C2=O ZINC000771176661 1079210415 /nfs/dbraw/zinc/21/04/15/1079210415.db2.gz UJISGGRYGCKMJA-UHFFFAOYSA-N 1 0 419.614 2.325 20 0 HEADRO C[C@@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000771237878 1079221283 /nfs/dbraw/zinc/22/12/83/1079221283.db2.gz HFAHOYDWNGGMMC-MJGOQNOKSA-N 1 0 416.566 2.334 20 0 HEADRO C[C@@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CCO1 ZINC000771237880 1079221413 /nfs/dbraw/zinc/22/14/13/1079221413.db2.gz HFBXMHNCYVPMAW-CVEARBPZSA-N 1 0 420.529 2.226 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)[C@H]3CCCN(c4ccccc4)C3=O)CC[NH2+]2)c1 ZINC001169260512 1079214392 /nfs/dbraw/zinc/21/43/92/1079214392.db2.gz KNSFXXHFLZRJGB-DENIHFKCSA-N 1 0 407.514 2.481 20 0 HEADRO COCCNC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO)CCCC2 ZINC001169274057 1079215172 /nfs/dbraw/zinc/21/51/72/1079215172.db2.gz WKNKTLMWQBFDAU-GOEBONIOSA-N 1 0 423.579 2.082 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170023104 1079215437 /nfs/dbraw/zinc/21/54/37/1079215437.db2.gz UMUGKFWSCDQDAJ-OAGGEKHMSA-N 1 0 413.584 2.445 20 0 HEADRO C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000766650285 1079219260 /nfs/dbraw/zinc/21/92/60/1079219260.db2.gz JUFVZWMGOMRDQL-YWZLYKJASA-N 1 0 417.481 2.333 20 0 HEADRO CC[NH+]1CCN(CC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000804314406 1079226532 /nfs/dbraw/zinc/22/65/32/1079226532.db2.gz OANXUMMELSASFW-FQEVSTJZSA-N 1 0 416.566 2.275 20 0 HEADRO Cn1ncc(NC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1C1CC1 ZINC000771209747 1079229165 /nfs/dbraw/zinc/22/91/65/1079229165.db2.gz DKBVYAYKRSQXTM-UHFFFAOYSA-N 1 0 404.559 2.245 20 0 HEADRO COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@H+](C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169304649 1079230763 /nfs/dbraw/zinc/23/07/63/1079230763.db2.gz GZPSTZZCHUNEOF-LPOKXYRGSA-N 1 0 403.475 2.439 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)C(C)C ZINC000771215465 1079231417 /nfs/dbraw/zinc/23/14/17/1079231417.db2.gz GWMLOYUMPHMBKJ-MRXNPFEDSA-N 1 0 402.539 2.485 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CO1 ZINC001169325487 1079234869 /nfs/dbraw/zinc/23/48/69/1079234869.db2.gz LMRBCMXFCJQIOZ-NWZZKEMCSA-N 1 0 412.527 2.245 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)nc2)C1 ZINC000771221338 1079235070 /nfs/dbraw/zinc/23/50/70/1079235070.db2.gz HEUWENJKBPSUTD-AWEZNQCLSA-N 1 0 416.494 2.294 20 0 HEADRO C[C@@H]1C[N@H+](CC2(O)C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CCN1CC(C)(C)O ZINC001169334330 1079237127 /nfs/dbraw/zinc/23/71/27/1079237127.db2.gz XNULXCVAMWJQBQ-DIXTZKEJSA-N 1 0 411.587 2.056 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CO1 ZINC001169334985 1079237466 /nfs/dbraw/zinc/23/74/66/1079237466.db2.gz OTWLZHZHWBGHCU-IAGYGMIVSA-N 1 0 412.527 2.245 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)COc3ccc4ccc(=O)oc4c3)CC2)CC1 ZINC000771293090 1079254790 /nfs/dbraw/zinc/25/47/90/1079254790.db2.gz IZOPTBZSTYCBSO-UHFFFAOYSA-N 1 0 413.518 2.189 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@H+](C2COC2)C2CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169408676 1079253043 /nfs/dbraw/zinc/25/30/43/1079253043.db2.gz FMAPDFQACWELBS-FUHWJXTLSA-N 1 0 412.527 2.197 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCc3nc(C(=O)N4CCCCC4)sc3CC2)CO1 ZINC001169389787 1079260279 /nfs/dbraw/zinc/26/02/79/1079260279.db2.gz SHEYHQHHTUMUES-DOTOQJQBSA-N 1 0 421.563 2.281 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169389888 1079260309 /nfs/dbraw/zinc/26/03/09/1079260309.db2.gz UBLCGOOKGUXZTD-RYLXDESZSA-N 1 0 422.547 2.212 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CO1 ZINC001169390513 1079260815 /nfs/dbraw/zinc/26/08/15/1079260815.db2.gz VTFXLSHJCNVGAO-ZVVDCOBXSA-N 1 0 404.507 2.442 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]3(C2)COCCN(c2ncccc2F)C3)CO1 ZINC001169391798 1079261639 /nfs/dbraw/zinc/26/16/39/1079261639.db2.gz KDNJDDXLMAGQMQ-ZWCUEREDSA-N 1 0 421.513 2.250 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)CO1 ZINC001169398669 1079271757 /nfs/dbraw/zinc/27/17/57/1079271757.db2.gz SSCKHFQNYZOJRF-FDKIHUSFSA-N 1 0 404.507 2.331 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CO1 ZINC001169400189 1079273989 /nfs/dbraw/zinc/27/39/89/1079273989.db2.gz YLYIBTOITLOWHT-ROWPZFDLSA-N 1 0 408.470 2.334 20 0 HEADRO C[NH+]1CCN(C[C@@H](NC(=O)CNC(=O)c2ccccc2Cl)c2ccccc2)CC1 ZINC000110780127 1079265699 /nfs/dbraw/zinc/26/56/99/1079265699.db2.gz USTMFCOHRMRJSV-HXUWFJFHSA-N 1 0 414.937 2.175 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)CO1 ZINC001169395384 1079267603 /nfs/dbraw/zinc/26/76/03/1079267603.db2.gz IBQXURUXNPSXNP-GJYPPUQNSA-N 1 0 410.465 2.125 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CC2)c2ccccc2N(CCOC)C3=O)CO1 ZINC001169396147 1079268576 /nfs/dbraw/zinc/26/85/76/1079268576.db2.gz KYSRUKRSFJDNDJ-FXAWDEMLSA-N 1 0 416.518 2.124 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H](N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CO1 ZINC001169397952 1079269996 /nfs/dbraw/zinc/26/99/96/1079269996.db2.gz OPWFMXQCFHYPMZ-LLVBAIKDSA-N 1 0 416.566 2.169 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H](N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CO1 ZINC001169414947 1079275392 /nfs/dbraw/zinc/27/53/92/1079275392.db2.gz CKXQHJKNLRNIFT-ZIAGYGMSSA-N 1 0 402.417 2.165 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000771326741 1079288290 /nfs/dbraw/zinc/28/82/90/1079288290.db2.gz LDBDSOOSLCBFSB-HXUWFJFHSA-N 1 0 415.582 2.206 20 0 HEADRO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2ccc([C@@H]3CC[N@H+](C)C3)cc2)c1 ZINC001169443009 1079293529 /nfs/dbraw/zinc/29/35/29/1079293529.db2.gz XVMAXDLWFOVMGP-DYESRHJHSA-N 1 0 413.518 2.385 20 0 HEADRO CCC[C@@H](COC)N(CCC(=O)OCC)c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001156321248 1079298662 /nfs/dbraw/zinc/29/86/62/1079298662.db2.gz WJTCXEQVADPSAQ-SFHVURJKSA-N 1 0 408.543 2.430 20 0 HEADRO CN(C(=O)CNC(=O)c1ccc(Br)o1)c1ccc(OCC[NH+](C)C)cc1 ZINC000771346035 1079299283 /nfs/dbraw/zinc/29/92/83/1079299283.db2.gz YRDFALGECZUAJV-UHFFFAOYSA-N 1 0 424.295 2.375 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH+]1CCN(c2ncnc3cc(OC)c(OC)cc32)CC1 ZINC001169477416 1079303687 /nfs/dbraw/zinc/30/36/87/1079303687.db2.gz AFPCZJMDNFEHDH-MRXNPFEDSA-N 1 0 415.538 2.416 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC001169473920 1079311555 /nfs/dbraw/zinc/31/15/55/1079311555.db2.gz GUHPIJXXFSWFSH-DWLFOUALSA-N 1 0 421.607 2.311 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001169473960 1079311687 /nfs/dbraw/zinc/31/16/87/1079311687.db2.gz HITVVQNNJWSSNJ-KSFYIVLOSA-N 1 0 401.507 2.491 20 0 HEADRO COc1c(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCCN2)ncnc1C1C[NH2+]C1 ZINC001169513771 1079318767 /nfs/dbraw/zinc/31/87/67/1079318767.db2.gz AWVZUVOZESURDS-FUHWJXTLSA-N 1 0 411.506 2.043 20 0 HEADRO CCOC(=O)N1CCC(NC(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)CC1 ZINC000766742559 1079324152 /nfs/dbraw/zinc/32/41/52/1079324152.db2.gz SYZMYRPBICQHJW-UHFFFAOYSA-N 1 0 412.575 2.387 20 0 HEADRO C[C@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC001169540907 1079326159 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C[NH+](C)CCOC1CCN(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)CC1 ZINC000738212245 1075974493 /nfs/dbraw/zinc/97/44/93/1075974493.db2.gz YDAHONVEDNGDNI-QHCPKHFHSA-N 1 0 414.550 2.160 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000738223471 1075975723 /nfs/dbraw/zinc/97/57/23/1075975723.db2.gz JSWBLYVKRSLDFP-SCLBCKFNSA-N 1 0 414.428 2.193 20 0 HEADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCSC[C@H]1c1ccc(Cl)cc1)C2=O ZINC000738256197 1075977090 /nfs/dbraw/zinc/97/70/90/1075977090.db2.gz QQAZYXWHCRNXFT-INIZCTEOSA-N 1 0 408.955 2.404 20 0 HEADRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000738284820 1075978830 /nfs/dbraw/zinc/97/88/30/1075978830.db2.gz DMALZDYBJBGAIT-IBGZPJMESA-N 1 0 416.595 2.469 20 0 HEADRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1nc(-c2cccs2)n(CCC(N)=O)c1=S ZINC000738286522 1075979304 /nfs/dbraw/zinc/97/93/04/1075979304.db2.gz XESLCQQBEMELJZ-AWEZNQCLSA-N 1 0 408.597 2.247 20 0 HEADRO COc1ccc(S(=O)(=O)N(C2CC[NH2+]CC2)[C@H]2CCCC3(C2)OCCO3)cc1 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NCYZAXLGQNSOLO-MRXNPFEDSA-N 1 0 409.552 2.277 20 0 HEADRO COc1ccc(CNC(C)=O)cc1S(=O)(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738367570 1075991451 /nfs/dbraw/zinc/99/14/51/1075991451.db2.gz UNKKFDCQGMPERV-UHFFFAOYSA-N 1 0 419.547 2.214 20 0 HEADRO COC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000738367583 1075991531 /nfs/dbraw/zinc/99/15/31/1075991531.db2.gz UWSZWHBWVDIJFQ-UHFFFAOYSA-N 1 0 406.504 2.121 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1cn3cc(Br)ccc3n1)CC2 ZINC000771778534 1079498410 /nfs/dbraw/zinc/49/84/10/1079498410.db2.gz HFKVDRLPJGABSL-UHFFFAOYSA-N 1 0 407.268 2.381 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)CC1=O ZINC000738548109 1076000677 /nfs/dbraw/zinc/00/06/77/1076000677.db2.gz ISAIMZPKSGYFDB-DBXWQHBBSA-N 1 0 414.550 2.183 20 0 HEADRO O=C(CCNS(=O)(=O)/C=C\c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738549593 1076001264 /nfs/dbraw/zinc/00/12/64/1076001264.db2.gz SUEIYKHMDNUFGQ-SQWSFHKJSA-N 1 0 405.564 2.444 20 0 HEADRO CCc1cc(CNC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)[nH]n1 ZINC000738483714 1076005073 /nfs/dbraw/zinc/00/50/73/1076005073.db2.gz ZOBOFBFNEIFRPS-GOSISDBHSA-N 1 0 411.554 2.111 20 0 HEADRO C[NH+]1CCN(Cc2ccc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000740744774 1079501130 /nfs/dbraw/zinc/50/11/30/1079501130.db2.gz YHPTVBBUMONKGX-UHFFFAOYSA-N 1 0 404.555 2.467 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)CC2 ZINC000771778594 1079501164 /nfs/dbraw/zinc/50/11/64/1079501164.db2.gz HFPWYOGSBAPILF-CQSZACIVSA-N 1 0 416.396 2.229 20 0 HEADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)c(OCC[NH+](C)C)c1 ZINC000739083588 1076030990 /nfs/dbraw/zinc/03/09/90/1076030990.db2.gz DETXWAJNZPDUMF-YWZLYKJASA-N 1 0 417.481 2.251 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000739083592 1076031080 /nfs/dbraw/zinc/03/10/80/1076031080.db2.gz DFZCGVJLJOCXAD-NQIIRXRSSA-N 1 0 414.550 2.327 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000739066386 1076035335 /nfs/dbraw/zinc/03/53/35/1076035335.db2.gz HYZHQBFJJFIJSW-RBUKOAKNSA-N 1 0 416.566 2.479 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000739066961 1076036312 /nfs/dbraw/zinc/03/63/12/1076036312.db2.gz JZAFCQUTRVKGTH-KURKYZTESA-N 1 0 402.539 2.087 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000739069362 1076036605 /nfs/dbraw/zinc/03/66/05/1076036605.db2.gz SGECPGRNHKQOMU-QGZVFWFLSA-N 1 0 410.518 2.228 20 0 HEADRO COC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000739084588 1076038023 /nfs/dbraw/zinc/03/80/23/1076038023.db2.gz GEAKINPUWBXKAB-LJQANCHMSA-N 1 0 416.566 2.288 20 0 HEADRO CC(C)OCCCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739072578 1076038047 /nfs/dbraw/zinc/03/80/47/1076038047.db2.gz XMMHNWLWTVPFJZ-UHFFFAOYSA-N 1 0 404.555 2.334 20 0 HEADRO CN(C[C@H]1CCCCO1)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739081870 1076039486 /nfs/dbraw/zinc/03/94/86/1076039486.db2.gz QFALAZHKKWKRMK-OAQYLSRUSA-N 1 0 416.566 2.431 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)[N@H+](C)Cc1ccccc1 ZINC000739091267 1076044003 /nfs/dbraw/zinc/04/40/03/1076044003.db2.gz YBGCLEJQHOWDPN-MOPGFXCFSA-N 1 0 424.545 2.487 20 0 HEADRO O=C(Nc1ccc(CN2CCOC2=O)cc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000739119680 1076046376 /nfs/dbraw/zinc/04/63/76/1076046376.db2.gz LZPXENZXDYVOBB-UHFFFAOYSA-N 1 0 414.506 2.054 20 0 HEADRO O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739788264 1076075292 /nfs/dbraw/zinc/07/52/92/1076075292.db2.gz NUSDYNIFKURUBM-KRWDZBQOSA-N 1 0 420.517 2.398 20 0 HEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739723170 1076079015 /nfs/dbraw/zinc/07/90/15/1076079015.db2.gz GPVIDSAMAUCHBQ-GUDVDZBRSA-N 1 0 408.587 2.308 20 0 HEADRO 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Cc1nccn1CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766247759 1076140169 /nfs/dbraw/zinc/14/01/69/1076140169.db2.gz MPZQEMUTFWNQAF-RTBURBONSA-N 1 0 419.570 2.419 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000766249936 1076147038 /nfs/dbraw/zinc/14/70/38/1076147038.db2.gz QWQNSUUJESJCQO-ROUUACIJSA-N 1 0 405.543 2.111 20 0 HEADRO CC(C)(C)OC(=O)NC1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000740485600 1076170327 /nfs/dbraw/zinc/17/03/27/1076170327.db2.gz HTIXRQKNAITYBE-ZGUYJTEBSA-N 1 0 410.559 2.063 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1cccc(COc2ccccc2)c1)C[NH+]1CCN(C)CC1 ZINC000740493518 1076172966 /nfs/dbraw/zinc/17/29/66/1076172966.db2.gz DSVXZDZHZMOQRK-LJQANCHMSA-N 1 0 424.545 2.204 20 0 HEADRO C[NH+](C)CCN1CCC(NC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000740469419 1076185149 /nfs/dbraw/zinc/18/51/49/1076185149.db2.gz YMIDXUCYFOXSHA-UHFFFAOYSA-N 1 0 411.591 2.148 20 0 HEADRO O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000740512723 1076199274 /nfs/dbraw/zinc/19/92/74/1076199274.db2.gz LNLNMNJYHNLWAT-OAHLLOKOSA-N 1 0 418.925 2.350 20 0 HEADRO O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000740647730 1076208703 /nfs/dbraw/zinc/20/87/03/1076208703.db2.gz HAWXTJWURWADJQ-UHFFFAOYSA-N 1 0 408.470 2.400 20 0 HEADRO C[C@H](CNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)C[NH+]1CCN(C)CC1 ZINC000740756609 1076227653 /nfs/dbraw/zinc/22/76/53/1076227653.db2.gz NDPNUKFYZMNTDG-GUDVDZBRSA-N 1 0 403.571 2.305 20 0 HEADRO CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)ccc21 ZINC000740757647 1076228804 /nfs/dbraw/zinc/22/88/04/1076228804.db2.gz RAZZCBVFRJVQIC-INIZCTEOSA-N 1 0 414.506 2.276 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000740740470 1076229680 /nfs/dbraw/zinc/22/96/80/1076229680.db2.gz RHWHLXWSFYATGE-LJQANCHMSA-N 1 0 403.523 2.357 20 0 HEADRO CS(=O)(=O)[C@H]1CCC[C@H](NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000740770231 1076236060 /nfs/dbraw/zinc/23/60/60/1076236060.db2.gz IEEGKTPCFKTDNB-OALUTQOASA-N 1 0 409.621 2.471 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)C[C@@H]1C ZINC000740841803 1076265058 /nfs/dbraw/zinc/26/50/58/1076265058.db2.gz YLIAUAQIDNWCJF-GOEBONIOSA-N 1 0 407.536 2.184 20 0 HEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000740847095 1076266413 /nfs/dbraw/zinc/26/64/13/1076266413.db2.gz NBMCIZKXMAZAKQ-OAHLLOKOSA-N 1 0 405.495 2.210 20 0 HEADRO C[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740880345 1076280013 /nfs/dbraw/zinc/28/00/13/1076280013.db2.gz XAJGPQFINUQZPM-IEBWSBKVSA-N 1 0 420.554 2.159 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@](C)(O)c1ccsc1 ZINC000740899915 1076296799 /nfs/dbraw/zinc/29/67/99/1076296799.db2.gz VWJYMQDICWKQBV-CJNGLKHVSA-N 1 0 403.957 2.263 20 0 HEADRO Cc1noc2ncc(C(=O)O[C@@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000740952509 1076311844 /nfs/dbraw/zinc/31/18/44/1076311844.db2.gz ZZBGGXGVFBOOEA-MAUKXSAKSA-N 1 0 408.458 2.467 20 0 HEADRO CC(C)[C@H](C(=O)OCc1nnc2n1c1ccsc1c(=O)n2C)[NH+]1CCCCC1 ZINC000741011452 1076327623 /nfs/dbraw/zinc/32/76/23/1076327623.db2.gz UGQQQPHWCBOPMP-OAHLLOKOSA-N 1 0 403.508 2.196 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@@H](C(C)C)N3CCCC3)cc2)CC1 ZINC000741012017 1076328588 /nfs/dbraw/zinc/32/85/88/1076328588.db2.gz SQOIBXKUXISHEA-JOCHJYFZSA-N 1 0 416.566 2.431 20 0 HEADRO CCOC(=O)C1=C(COC(=O)[C@H](C(C)C)[NH+]2CCCC2)NC(=O)N[C@H]1c1ccco1 ZINC000741014509 1076329432 /nfs/dbraw/zinc/32/94/32/1076329432.db2.gz NXBFQZDKSFJVAF-ROUUACIJSA-N 1 0 419.478 2.114 20 0 HEADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@H](O)c2c(F)cccc2F)c2ccccc2)CC1 ZINC000741084393 1076348456 /nfs/dbraw/zinc/34/84/56/1076348456.db2.gz MOIGSNSWXSRDHG-UXHICEINSA-N 1 0 418.488 2.286 20 0 HEADRO C[NH+]1CCN(C[C@@H](NC(=O)N[C@H](CCO)c2cccs2)c2ccccc2)CC1 ZINC000741084440 1076348774 /nfs/dbraw/zinc/34/87/74/1076348774.db2.gz NZQHVLICOZABFT-RTBURBONSA-N 1 0 402.564 2.460 20 0 HEADRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000741083555 1076357529 /nfs/dbraw/zinc/35/75/29/1076357529.db2.gz TVTPKMNMGFIBOU-QGZVFWFLSA-N 1 0 402.539 2.363 20 0 HEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000741099939 1076370376 /nfs/dbraw/zinc/37/03/76/1076370376.db2.gz PJPPEEGTIMRUIO-YJBOKZPZSA-N 1 0 418.538 2.448 20 0 HEADRO CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000741104915 1076375965 /nfs/dbraw/zinc/37/59/65/1076375965.db2.gz IVPQAKXUCDMPBY-HSZRJFAPSA-N 1 0 418.582 2.459 20 0 HEADRO CCC1(CC)NC(=O)N(CC(=O)OC[C@H]2CC[N@H+](C)[C@H]2c2ccc(OC)cc2)C1=O ZINC000741125351 1076381183 /nfs/dbraw/zinc/38/11/83/1076381183.db2.gz VRDHRVRYZOZIBR-APWZRJJASA-N 1 0 417.506 2.342 20 0 HEADRO C[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000741136405 1076382358 /nfs/dbraw/zinc/38/23/58/1076382358.db2.gz WGWVKPVNPBSJCK-UHFFFAOYSA-N 1 0 416.503 2.196 20 0 HEADRO Cc1nc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccn12 ZINC000741188303 1076401487 /nfs/dbraw/zinc/40/14/87/1076401487.db2.gz LTDBLTIYPWPSKU-LJQANCHMSA-N 1 0 405.502 2.270 20 0 HEADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)CC2 ZINC000741250417 1076419710 /nfs/dbraw/zinc/41/97/10/1076419710.db2.gz HDTUAHJXUUCZOX-WOJBJXKFSA-N 1 0 415.534 2.159 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC000741267754 1076437427 /nfs/dbraw/zinc/43/74/27/1076437427.db2.gz ALOSEAFYZUGMGE-UXHICEINSA-N 1 0 403.523 2.433 20 0 HEADRO Cc1ccc([C@H](O)CNC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)o1 ZINC000741271512 1076439194 /nfs/dbraw/zinc/43/91/94/1076439194.db2.gz VAMRNCBUNPKZSE-HXUWFJFHSA-N 1 0 400.523 2.441 20 0 HEADRO COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000741273069 1076439241 /nfs/dbraw/zinc/43/92/41/1076439241.db2.gz BDKJTVVVRNENHG-KRWDZBQOSA-N 1 0 412.575 2.478 20 0 HEADRO CN1CCC([NH+]2CCC(NC(=O)NC[C@@H](O)c3c(F)cccc3Cl)CC2)CC1 ZINC000741276104 1076440741 /nfs/dbraw/zinc/44/07/41/1076440741.db2.gz PYIUTIOEGMGLPR-GOSISDBHSA-N 1 0 412.937 2.370 20 0 HEADRO CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000741281911 1076452786 /nfs/dbraw/zinc/45/27/86/1076452786.db2.gz DVEJRMFUCMCAON-UHFFFAOYSA-N 1 0 404.555 2.373 20 0 HEADRO Cn1cc(N2CC[C@@H](OC(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)C2=O)cn1 ZINC000741323479 1076471062 /nfs/dbraw/zinc/47/10/62/1076471062.db2.gz ALWTZNVMPLNIJC-QFBILLFUSA-N 1 0 400.454 2.120 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000741338505 1076472062 /nfs/dbraw/zinc/47/20/62/1076472062.db2.gz OWZMZHNJVXHSQM-MRXNPFEDSA-N 1 0 403.523 2.188 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)cc2)CC1 ZINC000741339578 1076472921 /nfs/dbraw/zinc/47/29/21/1076472921.db2.gz CIFSFNSNOWXWFH-UHFFFAOYSA-N 1 0 423.469 2.199 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NCc3ccccc3OC)cc2)CC1 ZINC000741343591 1076487314 /nfs/dbraw/zinc/48/73/14/1076487314.db2.gz XNMOPZLDQNUAAM-UHFFFAOYSA-N 1 0 411.502 2.310 20 0 HEADRO C[C@](O)(C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000741346841 1076489522 /nfs/dbraw/zinc/48/95/22/1076489522.db2.gz FRPQIVYSZAERRG-LJQANCHMSA-N 1 0 414.424 2.199 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000741404222 1076511480 /nfs/dbraw/zinc/51/14/80/1076511480.db2.gz LJLMYLYNULQOEZ-ZWKOTPCHSA-N 1 0 409.914 2.450 20 0 HEADRO O=C(NCc1ccc(N2CCCC2=O)cc1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741404447 1076512090 /nfs/dbraw/zinc/51/20/90/1076512090.db2.gz CLECQEBDVQXYLH-XMMPIXPASA-N 1 0 422.529 2.250 20 0 HEADRO CC(C)[C@@H](CNC(=O)NC[C@H](O)c1c(F)cccc1Cl)[NH+]1CCN(C)CC1 ZINC000741412853 1076514218 /nfs/dbraw/zinc/51/42/18/1076514218.db2.gz VDSCNKJCGDEZQQ-SJORKVTESA-N 1 0 400.926 2.084 20 0 HEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCc2nnc(-c3ccccc3)[nH]2)CC1 ZINC000741415983 1076515851 /nfs/dbraw/zinc/51/58/51/1076515851.db2.gz JSPXBPCTPWEKNG-ROUUACIJSA-N 1 0 411.554 2.172 20 0 HEADRO COCC(=O)Nc1ccc(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741394518 1076520254 /nfs/dbraw/zinc/52/02/54/1076520254.db2.gz MVQIWYFFUSGDEK-QFIPXVFZSA-N 1 0 412.490 2.030 20 0 HEADRO CCc1cc(CNC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)on1 ZINC000741428464 1076522029 /nfs/dbraw/zinc/52/20/29/1076522029.db2.gz XQPKNZBSYKFEMP-UHFFFAOYSA-N 1 0 417.485 2.161 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN[C@@H](C)c3nnc4ccccn43)cc2)CC1 ZINC000741716027 1076590613 /nfs/dbraw/zinc/59/06/13/1076590613.db2.gz UNTJDNXQXNGZBT-KRWDZBQOSA-N 1 0 407.522 2.161 20 0 HEADRO Cc1cccc(C2(O)CCN(CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)c1C ZINC000741799929 1076641453 /nfs/dbraw/zinc/64/14/53/1076641453.db2.gz GYRQWXPYQNBNGX-OAQYLSRUSA-N 1 0 417.594 2.060 20 0 HEADRO C[C@@H](CNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000741902238 1076665191 /nfs/dbraw/zinc/66/51/91/1076665191.db2.gz TYXAOOSKTTZFRS-SJORKVTESA-N 1 0 420.579 2.227 20 0 HEADRO CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)CC2=O)cc1 ZINC000741944881 1076689386 /nfs/dbraw/zinc/68/93/86/1076689386.db2.gz QXZKJUPMWGKMLJ-KRWDZBQOSA-N 1 0 424.501 2.237 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000741982455 1076702345 /nfs/dbraw/zinc/70/23/45/1076702345.db2.gz XUKADIAKIHUISW-UHFFFAOYSA-N 1 0 406.486 2.134 20 0 HEADRO CC(C)(C)OC(=O)N(CC(=O)N1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCO1 ZINC000742036482 1076727287 /nfs/dbraw/zinc/72/72/87/1076727287.db2.gz JWXYUQFTQDDFJR-GOSISDBHSA-N 1 0 404.511 2.146 20 0 HEADRO CN(CCCC(=O)N(CC[NH+](C)C)C1CCCC1)C1=NS(=O)(=O)c2ccccc21 ZINC000742074800 1076735750 /nfs/dbraw/zinc/73/57/50/1076735750.db2.gz NAAKBZQVDQYKFT-UHFFFAOYSA-N 1 0 420.579 2.180 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000742075293 1076736157 /nfs/dbraw/zinc/73/61/57/1076736157.db2.gz UGKRWUCBJQGIDW-QGZVFWFLSA-N 1 0 413.474 2.486 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742103676 1076742650 /nfs/dbraw/zinc/74/26/50/1076742650.db2.gz BPPXKKFGDUZPKT-PMACEKPBSA-N 1 0 417.550 2.303 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n(C)c1 ZINC000742117289 1076747503 /nfs/dbraw/zinc/74/75/03/1076747503.db2.gz AGMCWXATWRBREW-KRWDZBQOSA-N 1 0 410.584 2.004 20 0 HEADRO COc1cccc(/C=C(/C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n2nnnc2C)c1 ZINC000742118885 1076747773 /nfs/dbraw/zinc/74/77/73/1076747773.db2.gz QLIFSNNACLAGHJ-BWCLHNGZSA-N 1 0 410.522 2.323 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000742098261 1076749630 /nfs/dbraw/zinc/74/96/30/1076749630.db2.gz HVMZPAORBDYOKR-UHFFFAOYSA-N 1 0 401.960 2.442 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)CC1=O ZINC000742141707 1076754503 /nfs/dbraw/zinc/75/45/03/1076754503.db2.gz SOTINPFCHMDNMI-TUNNFDKTSA-N 1 0 412.578 2.413 20 0 HEADRO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000742161056 1076772346 /nfs/dbraw/zinc/77/23/46/1076772346.db2.gz DLQWKJXJSAGNRY-KKSFZXQISA-N 1 0 420.941 2.109 20 0 HEADRO CCC1N=NC(=S)N1CCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000742189000 1076777196 /nfs/dbraw/zinc/77/71/96/1076777196.db2.gz ZLDAQHAVPPAAKR-UHFFFAOYSA-N 1 0 402.568 2.090 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000742238772 1076803562 /nfs/dbraw/zinc/80/35/62/1076803562.db2.gz BHHDJRHCYICDEF-SFHVURJKSA-N 1 0 407.580 2.394 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000742243478 1076804680 /nfs/dbraw/zinc/80/46/80/1076804680.db2.gz GEBOMIBKWNWYEZ-UHFFFAOYSA-N 1 0 402.539 2.278 20 0 HEADRO CN1C(=S)N=NC1[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000742250810 1076806488 /nfs/dbraw/zinc/80/64/88/1076806488.db2.gz KRPLGXHKKNYPHA-KRWDZBQOSA-N 1 0 414.579 2.022 20 0 HEADRO Cc1c(S(=O)(=O)N(CCc2ccccc2)CC[NH+](C)C)cnn1-c1ccccn1 ZINC000742276571 1076808436 /nfs/dbraw/zinc/80/84/36/1076808436.db2.gz BPLHSBWMNFOJGE-UHFFFAOYSA-N 1 0 413.547 2.371 20 0 HEADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000742303624 1076812548 /nfs/dbraw/zinc/81/25/48/1076812548.db2.gz KOVRVILCLPGYJY-WCQYABFASA-N 1 0 419.341 2.339 20 0 HEADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000742308496 1076814447 /nfs/dbraw/zinc/81/44/47/1076814447.db2.gz IYQOZLLGYGOCGX-WCQYABFASA-N 1 0 419.341 2.387 20 0 HEADRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742310054 1076814700 /nfs/dbraw/zinc/81/47/00/1076814700.db2.gz WVMXQHPBTMAXBL-RTBURBONSA-N 1 0 409.552 2.143 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)CC1 ZINC000742282798 1076815299 /nfs/dbraw/zinc/81/52/99/1076815299.db2.gz STSWEJXDBYGZOY-UHFFFAOYSA-N 1 0 401.573 2.135 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC000742283604 1076815588 /nfs/dbraw/zinc/81/55/88/1076815588.db2.gz VMRFSONMCMSBHC-ULQDDVLXSA-N 1 0 401.573 2.274 20 0 HEADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742312137 1076827298 /nfs/dbraw/zinc/82/72/98/1076827298.db2.gz WSQIMCNLVUIQJK-PKOBYXMFSA-N 1 0 411.568 2.295 20 0 HEADRO C[C@H](CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000742312769 1076827878 /nfs/dbraw/zinc/82/78/78/1076827878.db2.gz LSFFBJRRWPCHIA-CYBMUJFWSA-N 1 0 411.515 2.460 20 0 HEADRO O=S(=O)(/C=C/c1cccc(Br)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000742316211 1076828516 /nfs/dbraw/zinc/82/85/16/1076828516.db2.gz FONHTDQNVYFSGP-QHQPLOKBSA-N 1 0 415.353 2.404 20 0 HEADRO Cn1cc(N2CCC[C@H](ON=C(N)c3cccc(C[NH+]4CCCCC4)c3)C2=O)cn1 ZINC000742357194 1076829866 /nfs/dbraw/zinc/82/98/66/1076829866.db2.gz POAOVBDRCSKCNQ-FQEVSTJZSA-N 1 0 410.522 2.448 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000742347425 1076832476 /nfs/dbraw/zinc/83/24/76/1076832476.db2.gz QHAZDHUUNKNOQH-LJQANCHMSA-N 1 0 423.579 2.391 20 0 HEADRO CCNC(=O)COc1ccc(C[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)cc1OC ZINC000742375656 1076834783 /nfs/dbraw/zinc/83/47/83/1076834783.db2.gz UMDQIUGGTKWXKH-IBGZPJMESA-N 1 0 411.502 2.414 20 0 HEADRO CSC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCOCC1 ZINC000742378800 1076835061 /nfs/dbraw/zinc/83/50/61/1076835061.db2.gz YWBCRKXTICOBBM-ZDUSSCGKSA-N 1 0 407.989 2.206 20 0 HEADRO O=C(Nc1ccc(Br)nc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000766282130 1076836449 /nfs/dbraw/zinc/83/64/49/1076836449.db2.gz MIOHORIWNDNBHQ-OAHLLOKOSA-N 1 0 403.280 2.173 20 0 HEADRO C[NH+]1CCN(CCCNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742489487 1076844263 /nfs/dbraw/zinc/84/42/63/1076844263.db2.gz LEUFIVYKATWFGK-IBGZPJMESA-N 1 0 404.555 2.049 20 0 HEADRO NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1F ZINC000742484163 1076846585 /nfs/dbraw/zinc/84/65/85/1076846585.db2.gz ASRZIEADSZGUHO-KRWDZBQOSA-N 1 0 405.495 2.258 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)c1cccc(F)c1 ZINC000766283301 1076851958 /nfs/dbraw/zinc/85/19/58/1076851958.db2.gz UEUQGPGXCQLEHQ-CQSZACIVSA-N 1 0 409.259 2.341 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000742599142 1076854815 /nfs/dbraw/zinc/85/48/15/1076854815.db2.gz SHXMHDFIWOEHIX-FHWLQOOXSA-N 1 0 403.523 2.274 20 0 HEADRO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000742614941 1076856653 /nfs/dbraw/zinc/85/66/53/1076856653.db2.gz PPZVWVJYEYIEAO-LJQANCHMSA-N 1 0 419.570 2.490 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000742669798 1076862972 /nfs/dbraw/zinc/86/29/72/1076862972.db2.gz BVBXIZKOYFOFLW-MRXNPFEDSA-N 1 0 408.543 2.308 20 0 HEADRO Cn1ccnc1[C@](O)(CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C(F)(F)F ZINC000742789594 1076879301 /nfs/dbraw/zinc/87/93/01/1076879301.db2.gz AESIAYZMOBTFFQ-QFBILLFUSA-N 1 0 410.440 2.293 20 0 HEADRO CON(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000742791966 1076879795 /nfs/dbraw/zinc/87/97/95/1076879795.db2.gz OLPWAIQTLLJIAR-IBGZPJMESA-N 1 0 417.531 2.215 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(C(=O)OCC)=NN2c2ccccc2)C1 ZINC000742882971 1076891483 /nfs/dbraw/zinc/89/14/83/1076891483.db2.gz YGVKSMHINUZLFH-FXAWDEMLSA-N 1 0 400.523 2.375 20 0 HEADRO CN(C[C@@H]1CCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)OC(C)(C)C ZINC000742883990 1076891661 /nfs/dbraw/zinc/89/16/61/1076891661.db2.gz JCVFPUMZQILNPP-SFHVURJKSA-N 1 0 417.554 2.305 20 0 HEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccc(Cn4cccn4)o3)cc2)CC1 ZINC000742897511 1076893901 /nfs/dbraw/zinc/89/39/01/1076893901.db2.gz MPXSSAKQPWVEDM-UHFFFAOYSA-N 1 0 409.490 2.403 20 0 HEADRO CC[NH+](CC)CCN(C(=S)N[C@@H]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000742979483 1076920971 /nfs/dbraw/zinc/92/09/71/1076920971.db2.gz ROFFMSMOMFLTDI-WOJBJXKFSA-N 1 0 423.648 2.249 20 0 HEADRO CCn1nnnc1-c1cccc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000743176696 1076990283 /nfs/dbraw/zinc/99/02/83/1076990283.db2.gz DSZZFQARNJZOFL-UHFFFAOYSA-N 1 0 413.526 2.326 20 0 HEADRO CS(=O)(=O)CCn1ccc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000743206667 1076998151 /nfs/dbraw/zinc/99/81/51/1076998151.db2.gz FOYDDSDXVRKECR-UHFFFAOYSA-N 1 0 411.572 2.094 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000743240637 1077012001 /nfs/dbraw/zinc/01/20/01/1077012001.db2.gz MAWSWATUJKIVAK-GOSISDBHSA-N 1 0 417.510 2.016 20 0 HEADRO CCN1CC[NH+](CCCCNC(=O)Nc2cccc(N3CCOC3=O)c2C)CC1 ZINC000743243562 1077012916 /nfs/dbraw/zinc/01/29/16/1077012916.db2.gz FBTYSULOGASHPY-UHFFFAOYSA-N 1 0 403.527 2.491 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000743282199 1077016110 /nfs/dbraw/zinc/01/61/10/1077016110.db2.gz JMARQEQHEWHOAL-UHFFFAOYSA-N 1 0 402.445 2.475 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)cc2)CC1 ZINC000743306927 1077023234 /nfs/dbraw/zinc/02/32/34/1077023234.db2.gz OUMZWAOJIQYCRJ-UHFFFAOYSA-N 1 0 407.518 2.017 20 0 HEADRO Cc1ccc([C@@H](CNC(=O)NCCNS(=O)(=O)Cc2ccccc2)[NH+](C)C)cc1 ZINC000743329787 1077029278 /nfs/dbraw/zinc/02/92/78/1077029278.db2.gz KBMZPJXDYJBYPO-HXUWFJFHSA-N 1 0 418.563 2.017 20 0 HEADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cc(NC(C)=O)c(F)cc2F)CC1 ZINC000743388695 1077039710 /nfs/dbraw/zinc/03/97/10/1077039710.db2.gz WDQOSOOGKNCCGX-UHFFFAOYSA-N 1 0 410.465 2.442 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)C1 ZINC000743390087 1077039823 /nfs/dbraw/zinc/03/98/23/1077039823.db2.gz LTLLPHGRYIXNAA-GCJKJVERSA-N 1 0 402.539 2.169 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000743401005 1077043102 /nfs/dbraw/zinc/04/31/02/1077043102.db2.gz XAVVHPFEPAEDOY-LIRRHRJNSA-N 1 0 423.355 2.447 20 0 HEADRO C[C@H]1CCN(Cn2nc(N3CCOCC3)n(C)c2=S)CC[N@@H+]1Cc1ccccc1 ZINC000743406235 1077047318 /nfs/dbraw/zinc/04/73/18/1077047318.db2.gz PQLVHKDOXOVSBE-SFHVURJKSA-N 1 0 416.595 2.342 20 0 HEADRO COC(=O)c1ncn(CN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)n1 ZINC000743407200 1077047400 /nfs/dbraw/zinc/04/74/00/1077047400.db2.gz NGAYUWNJJJZOGQ-MRXNPFEDSA-N 1 0 411.428 2.409 20 0 HEADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)[NH+](C)C)cc1 ZINC000743413543 1077049420 /nfs/dbraw/zinc/04/94/20/1077049420.db2.gz GXIHNTNGZGOTJH-NRFANRHFSA-N 1 0 410.518 2.189 20 0 HEADRO Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC001545680340 1077071831 /nfs/dbraw/zinc/07/18/31/1077071831.db2.gz ZSAOPZIZEMFMAL-UHFFFAOYSA-N 1 0 402.495 2.285 20 0 HEADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@@H](O)c2cccnc2)CC1 ZINC000743607542 1077075295 /nfs/dbraw/zinc/07/52/95/1077075295.db2.gz RPBWRBSTHVRZAN-SFHVURJKSA-N 1 0 408.424 2.202 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)NCC3([NH+](C)C)CCOCC3)CC2)cc1 ZINC000743626556 1077082591 /nfs/dbraw/zinc/08/25/91/1077082591.db2.gz MFCMREIZJQPJGA-UHFFFAOYSA-N 1 0 403.571 2.131 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC[N@@H+]1C ZINC000743639935 1077085445 /nfs/dbraw/zinc/08/54/45/1077085445.db2.gz ZTBLNPAEWPTBGK-BIFSNJIPSA-N 1 0 408.502 2.206 20 0 HEADRO CCc1ccc(N2C[C@@H](C(=O)NC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2=O)cc1 ZINC000743766547 1077118380 /nfs/dbraw/zinc/11/83/80/1077118380.db2.gz NHAMKVALOXMXSJ-OFVILXPXSA-N 1 0 421.541 2.355 20 0 HEADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2F)[C@H]1c1cccs1 ZINC000743824635 1077134620 /nfs/dbraw/zinc/13/46/20/1077134620.db2.gz UPXGQVJMNFQKGR-SJCJKPOMSA-N 1 0 411.524 2.348 20 0 HEADRO O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000743847647 1077140721 /nfs/dbraw/zinc/14/07/21/1077140721.db2.gz MUMSTDGJAXMBCJ-UHFFFAOYSA-N 1 0 420.579 2.162 20 0 HEADRO O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000743861136 1077147084 /nfs/dbraw/zinc/14/70/84/1077147084.db2.gz ILOXDJWFPLYUAP-QUCCMNQESA-N 1 0 420.579 2.162 20 0 HEADRO CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000743842885 1077148082 /nfs/dbraw/zinc/14/80/82/1077148082.db2.gz LACSIBHGKCUKJQ-IRXDYDNUSA-N 1 0 411.543 2.119 20 0 HEADRO CC[NH+](CC)[C@@H]1CCN(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1 ZINC000743866297 1077151776 /nfs/dbraw/zinc/15/17/76/1077151776.db2.gz BUQOLTJCZYIHMK-LJQANCHMSA-N 1 0 404.530 2.093 20 0 HEADRO CN(C[C@@H]1CCC[N@@H+]1CCOc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000743867283 1077152208 /nfs/dbraw/zinc/15/22/08/1077152208.db2.gz SJPIPXLAWGJDEE-HNNXBMFYSA-N 1 0 413.540 2.044 20 0 HEADRO CCOC(=O)C1=C(C[N@H+](CC)CC2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1C ZINC000743874696 1077157920 /nfs/dbraw/zinc/15/79/20/1077157920.db2.gz ZQHLHROLPIIXNV-MRXNPFEDSA-N 1 0 415.538 2.138 20 0 HEADRO Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000743915180 1077194493 /nfs/dbraw/zinc/19/44/93/1077194493.db2.gz VJFMSHAOHMJVEJ-FQEVSTJZSA-N 1 0 422.529 2.304 20 0 HEADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cccc1N1CCOC1=O ZINC000743894263 1077205139 /nfs/dbraw/zinc/20/51/39/1077205139.db2.gz NSTAJNKSVJFMFU-OAHLLOKOSA-N 1 0 402.495 2.128 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000743897145 1077209329 /nfs/dbraw/zinc/20/93/29/1077209329.db2.gz NMARJZPIWNEWDU-ZBFHGGJFSA-N 1 0 402.495 2.127 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccnn3C3CCCCC3)CC2)c1 ZINC000743904231 1077217443 /nfs/dbraw/zinc/21/74/43/1077217443.db2.gz IHFLDAUFDUFODM-UHFFFAOYSA-N 1 0 412.494 2.079 20 0 HEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)CC1 ZINC000743918159 1077218020 /nfs/dbraw/zinc/21/80/20/1077218020.db2.gz ZSJULCNOZXPSOS-UHFFFAOYSA-N 1 0 421.973 2.021 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000743906567 1077219007 /nfs/dbraw/zinc/21/90/07/1077219007.db2.gz IVEFVJPOHROHHP-HOTGVXAUSA-N 1 0 402.495 2.269 20 0 HEADRO Cc1c(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cccc1N1CCOC1=O ZINC000743907456 1077220677 /nfs/dbraw/zinc/22/06/77/1077220677.db2.gz SAOYOVQDPBXFTE-KRWDZBQOSA-N 1 0 414.506 2.367 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000743941424 1077234683 /nfs/dbraw/zinc/23/46/83/1077234683.db2.gz SMPPDPNHOVVXSG-ZCNNSNEGSA-N 1 0 414.550 2.087 20 0 HEADRO O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000743943014 1077237569 /nfs/dbraw/zinc/23/75/69/1077237569.db2.gz RHFNLZWQTNUSDZ-HNNXBMFYSA-N 1 0 413.865 2.334 20 0 HEADRO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NCCC2CC[NH+](CC)CC2)cc1 ZINC000743942997 1077237589 /nfs/dbraw/zinc/23/75/89/1077237589.db2.gz QQXAFUXHXLIAEB-UHFFFAOYSA-N 1 0 404.511 2.456 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(N3CCOC3=O)ccc2C)CC1 ZINC000743942992 1077237766 /nfs/dbraw/zinc/23/77/66/1077237766.db2.gz QLZLEADCVBMCBL-UHFFFAOYSA-N 1 0 402.495 2.128 20 0 HEADRO CCCOc1cc(C)ccc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743945607 1077239117 /nfs/dbraw/zinc/23/91/17/1077239117.db2.gz CJOOOOGDBWBORG-GOSISDBHSA-N 1 0 403.523 2.482 20 0 HEADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)C1 ZINC000743919532 1077240567 /nfs/dbraw/zinc/24/05/67/1077240567.db2.gz KABFDUGXHYCWOK-INIZCTEOSA-N 1 0 408.930 2.106 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCC[C@H](O)C3)cc2)CC1 ZINC000743921754 1077243990 /nfs/dbraw/zinc/24/39/90/1077243990.db2.gz PPBNKFAMDMTPDD-RXVVDRJESA-N 1 0 416.566 2.070 20 0 HEADRO CC[C@H](O)CCCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000743925420 1077249712 /nfs/dbraw/zinc/24/97/12/1077249712.db2.gz YGDNBNYUNGTUPF-FQEVSTJZSA-N 1 0 404.555 2.070 20 0 HEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)[C@H]1c1cccs1 ZINC000743926518 1077250347 /nfs/dbraw/zinc/25/03/47/1077250347.db2.gz WRESJFMPZCPJRT-BEFAXECRSA-N 1 0 424.530 2.467 20 0 HEADRO COC[C@H](NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000743928959 1077254478 /nfs/dbraw/zinc/25/44/78/1077254478.db2.gz PRZXUZXLDUDZOJ-FQEVSTJZSA-N 1 0 404.555 2.190 20 0 HEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CC[N@@H+]1C ZINC000743932222 1077257838 /nfs/dbraw/zinc/25/78/38/1077257838.db2.gz VIOHVVAGTGHQTL-DZGCQCFKSA-N 1 0 410.971 2.431 20 0 HEADRO COC(C)(C)CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000743960186 1077268018 /nfs/dbraw/zinc/26/80/18/1077268018.db2.gz BDPICMMQEZLRDB-UHFFFAOYSA-N 1 0 418.538 2.371 20 0 HEADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H](SC)C3)cc2)CC1 ZINC000743968792 1077273012 /nfs/dbraw/zinc/27/30/12/1077273012.db2.gz SMDLYDODZOYPSY-RTBURBONSA-N 1 0 404.580 2.163 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)Oc1ccc(F)cc1 ZINC000743966960 1077273126 /nfs/dbraw/zinc/27/31/26/1077273126.db2.gz YWJPRRPRUHJGGU-INIZCTEOSA-N 1 0 414.481 2.100 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H](SC)C3)c(C)c2)CC1 ZINC000743969639 1077273707 /nfs/dbraw/zinc/27/37/07/1077273707.db2.gz XCRSULFRWCTWRF-SJLPKXTDSA-N 1 0 404.580 2.476 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H]1CC[C@H](SC)C1 ZINC000743970269 1077274711 /nfs/dbraw/zinc/27/47/11/1077274711.db2.gz POLREDFWFLQMRB-WBVHZDCISA-N 1 0 420.579 2.176 20 0 HEADRO O=C(Nc1ccccc1OCC1CC1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743947531 1077276884 /nfs/dbraw/zinc/27/68/84/1077276884.db2.gz RJTUJOUZKIHOEP-GOSISDBHSA-N 1 0 401.507 2.174 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000743993521 1077284334 /nfs/dbraw/zinc/28/43/34/1077284334.db2.gz ROXFVRPCDOGMBS-HNNXBMFYSA-N 1 0 405.499 2.310 20 0 HEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000743998607 1077286653 /nfs/dbraw/zinc/28/66/53/1077286653.db2.gz ZMMUORSGLGKJQF-GOSISDBHSA-N 1 0 418.501 2.329 20 0 HEADRO CN(C)C(=O)c1ccccc1NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743998381 1077286708 /nfs/dbraw/zinc/28/67/08/1077286708.db2.gz ZXRXGXFEWZKXFE-LJQANCHMSA-N 1 0 422.529 2.307 20 0 HEADRO 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HEADRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000766913308 1079504026 /nfs/dbraw/zinc/50/40/26/1079504026.db2.gz JNPYLRACLSCHQE-HRAATJIYSA-N 1 0 406.546 2.496 20 0 HEADRO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCC3(CC(C(=O)OC)=NO3)CC2)c(OC)c1 ZINC000771787066 1079506733 /nfs/dbraw/zinc/50/67/33/1079506733.db2.gz XNGFVWGRPRAWJN-BDUNBXCCSA-N 1 0 418.490 2.252 20 0 HEADRO CCN(C(=O)NCc1ccc(-n2cncn2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771763575 1079519681 /nfs/dbraw/zinc/51/96/81/1079519681.db2.gz SYHGSOAQFKZFGK-FQEVSTJZSA-N 1 0 405.506 2.468 20 0 HEADRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CC(=O)NCCOc2cccc(Cl)c2)cn1 ZINC000766960366 1079523881 /nfs/dbraw/zinc/52/38/81/1079523881.db2.gz LIGJPUATIXQGQG-MJGOQNOKSA-N 1 0 406.914 2.157 20 0 HEADRO CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766961521 1079525179 /nfs/dbraw/zinc/52/51/79/1079525179.db2.gz PGDKZCIARUOBBZ-NHCUHLMSSA-N 1 0 400.523 2.161 20 0 HEADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)C1CC1 ZINC000766938005 1079527914 /nfs/dbraw/zinc/52/79/14/1079527914.db2.gz FFOYOJXPNPKNAL-VGSWGCGISA-N 1 0 403.523 2.389 20 0 HEADRO CCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766945367 1079533737 /nfs/dbraw/zinc/53/37/37/1079533737.db2.gz IJPZFCMBVROSPT-PZJWPPBQSA-N 1 0 400.523 2.413 20 0 HEADRO CCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766945368 1079533916 /nfs/dbraw/zinc/53/39/16/1079533916.db2.gz IJPZFCMBVROSPT-TZIWHRDSSA-N 1 0 400.523 2.413 20 0 HEADRO CCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000766945366 1079534286 /nfs/dbraw/zinc/53/42/86/1079534286.db2.gz IJPZFCMBVROSPT-FPOVZHCZSA-N 1 0 400.523 2.413 20 0 HEADRO Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766945783 1079535886 /nfs/dbraw/zinc/53/58/86/1079535886.db2.gz JUKBTCRXSFGCNX-IFMALSPDSA-N 1 0 414.550 2.462 20 0 HEADRO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766946511 1079536879 /nfs/dbraw/zinc/53/68/79/1079536879.db2.gz OEHBPZCIXTVSFV-HFSMHLIXSA-N 1 0 400.523 2.200 20 0 HEADRO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766946945 1079537883 /nfs/dbraw/zinc/53/78/83/1079537883.db2.gz HNNBTJMTMGAOFB-QUCCMNQESA-N 1 0 420.941 2.499 20 0 HEADRO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000771819728 1079546704 /nfs/dbraw/zinc/54/67/04/1079546704.db2.gz VECHHAAOHIRYTK-LJQANCHMSA-N 1 0 418.538 2.440 20 0 HEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000771825197 1079548774 /nfs/dbraw/zinc/54/87/74/1079548774.db2.gz ZNPHQLKSHLHSFT-UHFFFAOYSA-N 1 0 422.938 2.290 20 0 HEADRO O=C(CN1CC[NH+](CCCCO)CC1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000746484769 1079556991 /nfs/dbraw/zinc/55/69/91/1079556991.db2.gz VOLDSSPUWJAUBE-UHFFFAOYSA-N 1 0 416.547 2.329 20 0 HEADRO CCC[C@H]1CN([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC[N@@H+]1CCOC 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/nfs/dbraw/zinc/59/10/68/1079591068.db2.gz FMOGAIIFPORTRK-RTWAWAEBSA-N 1 0 403.523 2.422 20 0 HEADRO Cn1ccnc1[C@H](O)C1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000771945977 1079596373 /nfs/dbraw/zinc/59/63/73/1079596373.db2.gz FVJPYIYSJNYJKE-IEBWSBKVSA-N 1 0 401.511 2.305 20 0 HEADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000771952937 1079600889 /nfs/dbraw/zinc/60/08/89/1079600889.db2.gz KUMDRCLREDKLDE-ROUUACIJSA-N 1 0 411.591 2.101 20 0 HEADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000771961044 1079607601 /nfs/dbraw/zinc/60/76/01/1079607601.db2.gz OUQSKMMAVHGALW-GOSISDBHSA-N 1 0 409.552 2.143 20 0 HEADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(N2C(=O)[C@@H]3COCCN3C2=O)cc1 ZINC000771968494 1079614554 /nfs/dbraw/zinc/61/45/54/1079614554.db2.gz VPGHERGOCIJFMB-SFHVURJKSA-N 1 0 400.479 2.059 20 0 HEADRO Cn1ccnc1[C@H](O)C1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000771970831 1079616871 /nfs/dbraw/zinc/61/68/71/1079616871.db2.gz 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COC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164885818 721409738 /nfs/dbraw/zinc/40/97/38/721409738.db2.gz HNEBHZVJBCTOJJ-IIBYNOLFSA-N 1 0 422.957 2.287 20 0 HEADRO COc1c(Cl)nc(C)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886229 721411037 /nfs/dbraw/zinc/41/10/37/721411037.db2.gz IJTSULCOJRBTGO-JXFKEZNVSA-N 1 0 409.962 2.212 20 0 HEADRO CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1C ZINC001164888790 721416652 /nfs/dbraw/zinc/41/66/52/721416652.db2.gz OQJQAXYFNUMLPA-WMZHIEFXSA-N 1 0 416.566 2.332 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4c(F)nc(F)nc4Cl)C3)O2)CC1 ZINC001164896085 721431055 /nfs/dbraw/zinc/43/10/55/721431055.db2.gz QKXKYSRVBFRLKO-SCLBCKFNSA-N 1 0 401.889 2.174 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccncc5)ncn4)C3)O2)CC1 ZINC001164888698 721437893 /nfs/dbraw/zinc/43/78/93/721437893.db2.gz AMYHEUIOORXULK-NFBKMPQASA-N 1 0 408.550 2.304 20 0 HEADRO CC(C)OC(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164899857 721446595 /nfs/dbraw/zinc/44/65/95/721446595.db2.gz ZKFICTMNWRUPBM-XXBNENTESA-N 1 0 416.566 2.412 20 0 HEADRO O=C([C@@H]1CCO[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21)N1CCCO1 ZINC001164789054 721482109 /nfs/dbraw/zinc/48/21/09/721482109.db2.gz AISSSIVKGIRLBS-HSALFYBXSA-N 1 0 400.523 2.073 20 0 HEADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)nc1)C1CC1 ZINC001164791869 721482466 /nfs/dbraw/zinc/48/24/66/721482466.db2.gz KCXIVWGSULWLBA-AQNXPRMDSA-N 1 0 400.523 2.071 20 0 HEADRO c1cnn(C[C@@H]2Cn3ccnc3CN(c3cccc(OCC[NH+]4CCCC4)n3)C2)c1 ZINC001164899432 721487162 /nfs/dbraw/zinc/48/71/62/721487162.db2.gz ZGXKVLPCJXVAOH-LJQANCHMSA-N 1 0 407.522 2.286 20 0 HEADRO C[NH+](C)Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)c1 ZINC001164898250 721495643 /nfs/dbraw/zinc/49/56/43/721495643.db2.gz GFXQJZPPCIAENG-CEXWTWQISA-N 1 0 424.578 2.365 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccnc(Cl)c2F)CC3)CC1 ZINC001164795208 721509043 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402.857 2.459 20 0 HEADRO COC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1F ZINC001164809503 721543692 /nfs/dbraw/zinc/54/36/92/721543692.db2.gz UZCPKPQWRXMOCM-CMKODMSKSA-N 1 0 400.454 2.271 20 0 HEADRO CCOC(=O)Cc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164909168 721546136 /nfs/dbraw/zinc/54/61/36/721546136.db2.gz QUWDCKJLERGSQU-IEBWSBKVSA-N 1 0 400.454 2.063 20 0 HEADRO COC(OC)c1c(CO)ccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902989 721547123 /nfs/dbraw/zinc/54/71/23/721547123.db2.gz BPYCCLMQDJMBGK-PKOBYXMFSA-N 1 0 417.481 2.346 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164809909 721559445 /nfs/dbraw/zinc/55/94/45/721559445.db2.gz YAMJWKVVTAGDLV-KCZVDYSFSA-N 1 0 407.518 2.237 20 0 HEADRO O=C1CSc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2N1 ZINC001164911421 721566231 /nfs/dbraw/zinc/56/62/31/721566231.db2.gz ZEDRCEZQBHSBKS-DZGCQCFKSA-N 1 0 401.467 2.002 20 0 HEADRO CCOC(=O)Cc1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164799286 721590966 /nfs/dbraw/zinc/59/09/66/721590966.db2.gz ALCXPGWPPCCVLB-SXWKCWPCSA-N 1 0 410.518 2.450 20 0 HEADRO COC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904131 721692831 /nfs/dbraw/zinc/69/28/31/721692831.db2.gz DHKBCPAAZJJLKN-IBGZPJMESA-N 1 0 403.433 2.396 20 0 HEADRO NC(=O)c1nc(Cl)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906491 721711710 /nfs/dbraw/zinc/71/17/10/721711710.db2.gz MIZHQIGZRRJMLN-GOSISDBHSA-N 1 0 422.867 2.362 20 0 HEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(C(=O)NC(C)(C)C)cn2)CC1 ZINC001165011614 721738708 /nfs/dbraw/zinc/73/87/08/721738708.db2.gz SQGHDNDRRWROKS-UHFFFAOYSA-N 1 0 401.555 2.133 20 0 HEADRO CCOC(=O)c1c(C)cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1C ZINC001165010810 721740114 /nfs/dbraw/zinc/74/01/14/721740114.db2.gz PIYMECWNGZEEJX-UHFFFAOYSA-N 1 0 402.539 2.398 20 0 HEADRO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc(C[N@H+](C)C5CC5)cn4)C[C@@H]32)cc1 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KTYBWTZZHCEDIC-KRWDZBQOSA-N 1 0 422.533 2.436 20 0 HEADRO CC(=O)N1[C@@H]2CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164968755 722081078 /nfs/dbraw/zinc/08/10/78/722081078.db2.gz DWFKFXGJSZMYTO-ILWGZMRPSA-N 1 0 408.550 2.388 20 0 HEADRO CSc1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983703 722108447 /nfs/dbraw/zinc/10/84/47/722108447.db2.gz ZAIYWSYLLOHCEG-LSDHHAIUSA-N 1 0 406.943 2.369 20 0 HEADRO Cn1c(=O)ccc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164982028 722119927 /nfs/dbraw/zinc/11/99/27/722119927.db2.gz VTRQDRCLZQFVIY-UXHICEINSA-N 1 0 405.502 2.056 20 0 HEADRO Cn1c(=O)ccc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164982031 722119978 /nfs/dbraw/zinc/11/99/78/722119978.db2.gz VTRQDRCLZQFVIY-WOJBJXKFSA-N 1 0 405.502 2.056 20 0 HEADRO COC(=O)c1cc2c[nH]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc-2n1 ZINC001164980279 722134788 /nfs/dbraw/zinc/13/47/88/722134788.db2.gz MKPOZQCXGRTHOB-UWJYYQICSA-N 1 0 421.501 2.472 20 0 HEADRO CCCNC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164981039 722143066 /nfs/dbraw/zinc/14/30/66/722143066.db2.gz OKHWXROGJSQSMC-RTWAWAEBSA-N 1 0 409.534 2.344 20 0 HEADRO COC(=O)c1nc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984668 722148655 /nfs/dbraw/zinc/14/86/55/722148655.db2.gz YINWBSJNHYFQPO-HOTGVXAUSA-N 1 0 417.897 2.039 20 0 HEADRO COc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2c1ccn2C ZINC001164972206 722154346 /nfs/dbraw/zinc/15/43/46/722154346.db2.gz GXAOSYJSUIQGKR-MJGOQNOKSA-N 1 0 408.506 2.099 20 0 HEADRO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3cccc(OCC[NH+]4CCCC4)n3)[C@H]2C1 ZINC001164999097 722215418 /nfs/dbraw/zinc/21/54/18/722215418.db2.gz ZLWWUSWIOJVTPB-GBESFXJTSA-N 1 0 402.539 2.065 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000745453776 1078489106 /nfs/dbraw/zinc/48/91/06/1078489106.db2.gz GKIINMFNKKQOQG-KRWDZBQOSA-N 1 0 411.543 2.308 20 0 HEADRO 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[NH3+]Cc1cccc(-c2nnn(-c3ccc4c(c3)CN(C(=O)C(F)(F)F)CC4)n2)c1 ZINC001168880669 1079067968 /nfs/dbraw/zinc/06/79/68/1079067968.db2.gz WYDMKAIBJUMRNZ-UHFFFAOYSA-N 1 0 402.380 2.235 20 0 HEADRO CCC[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC000766533142 1079069106 /nfs/dbraw/zinc/06/91/06/1079069106.db2.gz GMBFRHHXXPHTKN-CVEARBPZSA-N 1 0 401.573 2.256 20 0 HEADRO CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000770915718 1079075844 /nfs/dbraw/zinc/07/58/44/1079075844.db2.gz XUVRVDGMLRGNGO-QAPCUYQASA-N 1 0 403.504 2.057 20 0 HEADRO CC[N@@H+](Cc1ccncc1)C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC ZINC001168941766 1079081339 /nfs/dbraw/zinc/08/13/39/1079081339.db2.gz UHOWGBZPHNOAMW-LJQANCHMSA-N 1 0 410.474 2.316 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3C[C@@H](OCC4CC4)[C@H]4COC[C@H]43)CC2=O)cc1 ZINC001168943700 1079081856 /nfs/dbraw/zinc/08/18/56/1079081856.db2.gz ZQHWJQPJEYHTBV-FVTFTPSCSA-N 1 0 400.519 2.312 20 0 HEADRO C[Si](C)(C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)c1ccccc1 ZINC001168948504 1079084144 /nfs/dbraw/zinc/08/41/44/1079084144.db2.gz DNDUVZHBHPLMPU-UHFFFAOYSA-N 1 0 403.624 2.335 20 0 HEADRO COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC001168951253 1079085314 /nfs/dbraw/zinc/08/53/14/1079085314.db2.gz YRNZNDBDNIUVRT-VQIMIIECSA-N 1 0 410.474 2.487 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCC(NC(=O)N4CCCC4)CC3)CC2=O)cc1 ZINC001168953352 1079085789 /nfs/dbraw/zinc/08/57/89/1079085789.db2.gz IUZLJESVKKBOMJ-FQEVSTJZSA-N 1 0 414.550 2.456 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CCN(Cc4ccccc4)[C@@H](CO)C3)CC2=O)cc1 ZINC001168927900 1079086617 /nfs/dbraw/zinc/08/66/17/1079086617.db2.gz VEGQEILNVQKMHW-XZOQPEGZSA-N 1 0 423.557 2.365 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(c4ccc(OC)cn4)CC3)CC2=O)cc1 ZINC001168956514 1079090897 /nfs/dbraw/zinc/09/08/97/1079090897.db2.gz UVCSFFYLEAJQHS-IBGZPJMESA-N 1 0 410.518 2.412 20 0 HEADRO CC[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001169013535 1079099432 /nfs/dbraw/zinc/09/94/32/1079099432.db2.gz HQJNICROWBJPGH-FQEVSTJZSA-N 1 0 415.559 2.220 20 0 HEADRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766563481 1079100388 /nfs/dbraw/zinc/10/03/88/1079100388.db2.gz OOSAWCUDVOTUCH-RHSMWYFYSA-N 1 0 420.501 2.196 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000771038745 1079112548 /nfs/dbraw/zinc/11/25/48/1079112548.db2.gz JUZILLKCBAEGHF-KRWDZBQOSA-N 1 0 418.515 2.237 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cncc(F)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170021072 1079138176 /nfs/dbraw/zinc/13/81/76/1079138176.db2.gz TUWFNYQFXWEXER-CVEARBPZSA-N 1 0 410.515 2.221 20 0 HEADRO 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 ZINC001169131777 1079151511 /nfs/dbraw/zinc/15/15/11/1079151511.db2.gz YZFBUDIBDYCKMR-FBAVSBLXSA-N 1 0 406.571 2.203 20 0 HEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771112884 1079158352 /nfs/dbraw/zinc/15/83/52/1079158352.db2.gz BBNSNHJJVFXVQX-RBZFPXEDSA-N 1 0 424.904 2.237 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1ccc2c1cccc2C[NH3+] ZINC001169161791 1079170360 /nfs/dbraw/zinc/17/03/60/1079170360.db2.gz FVSCTPBAFBHDGZ-HNNXBMFYSA-N 1 0 408.506 2.279 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1c(C[NH3+])cc2ccccc21 ZINC001169161553 1079170483 /nfs/dbraw/zinc/17/04/83/1079170483.db2.gz FCAVJCOAYSOZIH-OAHLLOKOSA-N 1 0 408.506 2.279 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccnc2ccccc12 ZINC001169165017 1079172897 /nfs/dbraw/zinc/17/28/97/1079172897.db2.gz YIPFQRUPYXIBHZ-INIZCTEOSA-N 1 0 420.517 2.331 20 0 HEADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000766612471 1079173391 /nfs/dbraw/zinc/17/33/91/1079173391.db2.gz GAYZFCYKFWEAJG-KRWDZBQOSA-N 1 0 408.564 2.494 20 0 HEADRO CN(C[C@](C)(O)C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1)C(=O)OC(C)(C)C ZINC001169165879 1079174208 /nfs/dbraw/zinc/17/42/08/1079174208.db2.gz ZTRKCGFKLLOGKU-ZHRRBRCNSA-N 1 0 418.538 2.137 20 0 HEADRO O=C(Nc1ccccc1N1CCOC1=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766609349 1079176564 /nfs/dbraw/zinc/17/65/64/1079176564.db2.gz XNFQAGAVKHWSSY-UHFFFAOYSA-N 1 0 400.479 2.059 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(C)Cc2ccccc2C1 ZINC001169185125 1079176975 /nfs/dbraw/zinc/17/69/75/1079176975.db2.gz VWKXZHDCACLVDG-MRXNPFEDSA-N 1 0 409.534 2.140 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001169193921 1079180850 /nfs/dbraw/zinc/18/08/50/1079180850.db2.gz XJONENFJZVQLJS-HKUYNNGSSA-N 1 0 409.534 2.482 20 0 HEADRO CC(C)CN1N=C(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)CCC1=O ZINC000766616184 1079181390 /nfs/dbraw/zinc/18/13/90/1079181390.db2.gz OJLQAINKKSFDOB-LEWJYISDSA-N 1 0 419.614 2.416 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001169200695 1079182876 /nfs/dbraw/zinc/18/28/76/1079182876.db2.gz BFTPKRLFWNRWFU-MJGOQNOKSA-N 1 0 424.549 2.095 20 0 HEADRO C[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1cncc(Cl)c1 ZINC001169197692 1079183035 /nfs/dbraw/zinc/18/30/35/1079183035.db2.gz XNZASTWGXKIVLK-UONOGXRCSA-N 1 0 418.929 2.392 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1ccccc1F ZINC001169203249 1079184707 /nfs/dbraw/zinc/18/47/07/1079184707.db2.gz UIYPYBJWLGTSCC-HNNXBMFYSA-N 1 0 401.486 2.264 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000771135833 1079186363 /nfs/dbraw/zinc/18/63/63/1079186363.db2.gz QRVNJKRSHXRSDD-HNNXBMFYSA-N 1 0 419.551 2.030 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCCc2cccnc21 ZINC001169172482 1079187313 /nfs/dbraw/zinc/18/73/13/1079187313.db2.gz PPZWQTDZAYTCMJ-DOTOQJQBSA-N 1 0 410.522 2.055 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCCc2ccccc2C1 ZINC001169208206 1079195549 /nfs/dbraw/zinc/19/55/49/1079195549.db2.gz MNSPGGPTEAMQKI-QGZVFWFLSA-N 1 0 409.534 2.441 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CCc1ccc(F)cc1 ZINC001169207641 1079195888 /nfs/dbraw/zinc/19/58/88/1079195888.db2.gz LCJGXNIRRNEMGP-MRXNPFEDSA-N 1 0 415.513 2.306 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CC/C=C/c1cccnc1 ZINC001169212116 1079197384 /nfs/dbraw/zinc/19/73/84/1079197384.db2.gz KKFATDZWQWUVNW-PMQIGOLDSA-N 1 0 424.549 2.423 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCOC2(CCCCC2)C1 ZINC001169213492 1079197501 /nfs/dbraw/zinc/19/75/01/1079197501.db2.gz QUKMYKGDBKRFET-QGZVFWFLSA-N 1 0 417.554 2.028 20 0 HEADRO O=C(Nc1ccc(SC(F)F)nc1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000771199005 1079199998 /nfs/dbraw/zinc/19/99/98/1079199998.db2.gz XBAPYWVSUSYCCR-AWEZNQCLSA-N 1 0 414.478 2.048 20 0 HEADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000804310341 1079205087 /nfs/dbraw/zinc/20/50/87/1079205087.db2.gz MARFPQFEKKLSEE-UHFFFAOYSA-N 1 0 424.586 2.081 20 0 HEADRO Cc1cc(C)n2c(nc(=S)n2CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 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412.552 2.137 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001169468657 1079309000 /nfs/dbraw/zinc/30/90/00/1079309000.db2.gz YJNRBMXMPDXTJW-KSFYIVLOSA-N 1 0 418.513 2.310 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@H]2OC[C@@H](C(=O)NCc3ccco3)C[C@H]2C1 ZINC001169472266 1079310747 /nfs/dbraw/zinc/31/07/47/1079310747.db2.gz PLNXQSKYBVKYOK-CGBFIWBNSA-N 1 0 405.539 2.270 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC001169473919 1079311611 /nfs/dbraw/zinc/31/16/11/1079311611.db2.gz GUHPIJXXFSWFSH-CZTZKLFOSA-N 1 0 421.607 2.311 20 0 HEADRO CC[C@@H]1CC[N@H+](CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)[C@@H]1C ZINC001169496062 1079314286 /nfs/dbraw/zinc/31/42/86/1079314286.db2.gz SXNJQUHUMRXWFY-UYAOXDASSA-N 1 0 423.579 2.391 20 0 HEADRO C[C@H]([NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)c1cnccn1 ZINC001170026458 1079314922 /nfs/dbraw/zinc/31/49/22/1079314922.db2.gz NJUWLRPXIGFKSE-DZKIICNBSA-N 1 0 407.540 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/nfs/dbraw/zinc/45/67/72/1079456772.db2.gz UFOQRYRYSMWYGU-DQTJMLIDSA-N 1 0 423.504 2.226 20 0 HEADRO CS(=O)(=O)C1CCC([N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)CC1 ZINC001169884542 1079458358 /nfs/dbraw/zinc/45/83/58/1079458358.db2.gz GSFVANWVEDGQIF-GZNCHQMQSA-N 1 0 405.564 2.252 20 0 HEADRO COc1cc(/C=C/C(=O)NCCCC[NH2+]C2CCC(S(C)(=O)=O)CC2)ccc1O ZINC001169873902 1079465651 /nfs/dbraw/zinc/46/56/51/1079465651.db2.gz QYPCMQFQUMVBCK-WUXMJOGZSA-N 1 0 424.563 2.256 20 0 HEADRO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@@H+]([C@H]3CCCC4(C3)OCCO4)C2)C1 ZINC001169933674 1079480499 /nfs/dbraw/zinc/48/04/99/1079480499.db2.gz IUGXVKWUJYJJJS-GHTZIAJQSA-N 1 0 417.481 2.348 20 0 HEADRO COC(=O)c1ccc(C(=O)N2CCC([NH2+][C@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169922916 1079485230 /nfs/dbraw/zinc/48/52/30/1079485230.db2.gz GBAOEVOHMCWNMA-IBGZPJMESA-N 1 0 402.491 2.353 20 0 HEADRO O=C(NCc1nnc(-c2ccccc2)[nH]1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000737270547 1075898963 /nfs/dbraw/zinc/89/89/63/1075898963.db2.gz OJLRCEVNMRVIDG-UHFFFAOYSA-N 1 0 418.501 2.365 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@](C)(O)CCC)cc2Cl)CC1 ZINC000737304277 1075903369 /nfs/dbraw/zinc/90/33/69/1075903369.db2.gz HNBMCUWKXSDWQH-NRFANRHFSA-N 1 0 424.973 2.478 20 0 HEADRO CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)CC2)cc1 ZINC001273352560 1075907222 /nfs/dbraw/zinc/90/72/22/1075907222.db2.gz RZPIXRYESQZOAH-CTNGQTDRSA-N 1 0 419.591 2.373 20 0 HEADRO CC(C)N1C(=O)c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)cc2S1(=O)=O ZINC000737691994 1075919838 /nfs/dbraw/zinc/91/98/38/1075919838.db2.gz PIOVSKSLQGPJFM-QGZVFWFLSA-N 1 0 419.547 2.330 20 0 HEADRO CNC(=O)c1cc2c(nc1N(C(C)C)[C@@H]1CCCC3(C1)OCCO3)CC[NH2+]CC2 ZINC001169950078 1079490939 /nfs/dbraw/zinc/49/09/39/1079490939.db2.gz QZJAMMDJIGJRMK-QGZVFWFLSA-N 1 0 402.539 2.030 20 0 HEADRO C[C@@H]1N(Cc2cccnc2)C(=O)COC12CC[NH+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169950474 1079491058 /nfs/dbraw/zinc/49/10/58/1079491058.db2.gz TXEAAIBRXBXBPP-ICSRJNTNSA-N 1 0 415.534 2.349 20 0 HEADRO CNC(=O)c1cc2c(nc1N(C(C)C)[C@H]1CCCC3(C1)OCCO3)CC[NH2+]CC2 ZINC001169950076 1079491087 /nfs/dbraw/zinc/49/10/87/1079491087.db2.gz QZJAMMDJIGJRMK-KRWDZBQOSA-N 1 0 402.539 2.030 20 0 HEADRO COC(=O)c1ccc2c(cnn2C[NH+]2CCC(C(=O)NCCCOC(C)C)CC2)c1 ZINC000738074575 1075958647 /nfs/dbraw/zinc/95/86/47/1075958647.db2.gz CBCUKIYMQAXZDQ-UHFFFAOYSA-N 1 0 416.522 2.424 20 0 HEADRO Cn1c(=O)cc(Nc2ccc([C@@]34CC[NH2+][C@H]3COCC4)cc2)n(-c2ccccc2)c1=O ZINC001169959058 1079494568 /nfs/dbraw/zinc/49/45/68/1079494568.db2.gz VYOUUYJSHUWJQO-RDPSFJRHSA-N 1 0 418.497 2.300 20 0 HEADRO C[NH+](C)[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738143170 1075962910 /nfs/dbraw/zinc/96/29/10/1075962910.db2.gz DJSDHLJBSTWNKR-QAPCUYQASA-N 1 0 409.328 2.200 20 0 HEADRO C[NH+](C)[C@H]1CCCN(Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)C1 ZINC000738143073 1075963365 /nfs/dbraw/zinc/96/33/65/1075963365.db2.gz IJTNMJIMMUVGDQ-IBGZPJMESA-N 1 0 416.595 2.282 20 0 HEADRO CNC(=O)c1nn(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(=O)c2ccccc21 ZINC000738107171 1075964285 /nfs/dbraw/zinc/96/42/85/1075964285.db2.gz JXXFAYPXEWGHMF-ZWKOTPCHSA-N 1 0 411.550 2.300 20 0 HEADRO CCOc1ccc(-c2nnn(CN3CCC(CC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000738112598 1075966096 /nfs/dbraw/zinc/96/60/96/1075966096.db2.gz YDXWFYWUXREGLP-UHFFFAOYSA-N 1 0 400.527 2.131 20 0 HEADRO Cn1c(=O)cc(Nc2cccc3cc([C@@H]4C[NH2+]CCO4)cn32)n(-c2ccccc2)c1=O ZINC001169959693 1079495007 /nfs/dbraw/zinc/49/50/07/1079495007.db2.gz BQAOOJKKWHMUOD-IBGZPJMESA-N 1 0 417.469 2.193 20 0 HEADRO O=C(C[NH+]1CCCC1)N1CCN(Cn2nc(Cc3ccccc3F)oc2=S)CC1 ZINC000738162108 1075971316 /nfs/dbraw/zinc/97/13/16/1075971316.db2.gz WZGHVQQZVPMYDY-UHFFFAOYSA-N 1 0 419.526 2.133 20 0 HEADRO COc1ccccc1-n1cnn(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1=S ZINC000738169272 1075972459 /nfs/dbraw/zinc/97/24/59/1075972459.db2.gz HKUKYTKKFRLCGD-GOSISDBHSA-N 1 0 416.595 2.471 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(Cn2nc(N3CCOCC3)n(-c3cccc(F)c3)c2=S)C1 ZINC000738223368 1075975475 /nfs/dbraw/zinc/97/54/75/1075975475.db2.gz INMFJDIJUVBQGE-INIZCTEOSA-N 1 0 420.558 2.220 20 0 HEADRO Cc1ccc(-n2c(=S)n(CN3CC[C@@H](C[NH+](C)C)C3)nc2N2CCOCC2)cc1 ZINC000738223738 1075975649 /nfs/dbraw/zinc/97/56/49/1075975649.db2.gz KVSSLKZHLHHXMJ-SFHVURJKSA-N 1 0 416.595 2.389 20 0 HEADRO Cc1ccccc1-n1c(=S)n(CN2CC[C@@H](C[NH+](C)C)C2)nc1N1CCOCC1 ZINC000738220994 1075975685 /nfs/dbraw/zinc/97/56/85/1075975685.db2.gz BCODRJTXSDMLOE-SFHVURJKSA-N 1 0 416.595 2.389 20 0 HEADRO CCCn1c2nn(CN3CC[C@@H](C[NH+](C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000738222691 1075975731 /nfs/dbraw/zinc/97/57/31/1075975731.db2.gz HDKYWBXFZDFXGV-HNNXBMFYSA-N 1 0 400.552 2.431 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000738226267 1075976092 /nfs/dbraw/zinc/97/60/92/1075976092.db2.gz GDDUYILMZCMPIW-UGSOOPFHSA-N 1 0 409.328 2.057 20 0 HEADRO S=c1n(CN2CCC[N@@H+](C3CCCC3)CC2)nc(N2CCOCC2)n1C1CC1 ZINC000738268046 1075977357 /nfs/dbraw/zinc/97/73/57/1075977357.db2.gz CSSSQSZVSZUAJF-UHFFFAOYSA-N 1 0 406.600 2.493 20 0 HEADRO CN(C)c1nn(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)c(=S)s1 ZINC000738282627 1075978950 /nfs/dbraw/zinc/97/89/50/1075978950.db2.gz ACMVFGKIMJGBNO-UHFFFAOYSA-N 1 0 422.624 2.460 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(CN2C(=O)c3ccccc3C2=O)CC1 ZINC000738286272 1075979719 /nfs/dbraw/zinc/97/97/19/1075979719.db2.gz YIJDNPVDWUQUCD-UHFFFAOYSA-N 1 0 408.502 2.003 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 ZINC000738286398 1075979806 /nfs/dbraw/zinc/97/98/06/1075979806.db2.gz ZYOZYOFRMOUAOD-UHFFFAOYSA-N 1 0 414.550 2.026 20 0 HEADRO CN(C)C(=O)c1cccc(C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000738326635 1075980325 /nfs/dbraw/zinc/98/03/25/1075980325.db2.gz KKZUZTNZCQXGCU-UHFFFAOYSA-N 1 0 404.555 2.373 20 0 HEADRO CC(C)(C)c1nnc(NC(=O)C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)s1 ZINC000766890106 1079497163 /nfs/dbraw/zinc/49/71/63/1079497163.db2.gz VWGGFTAICGYLRW-OAQYLSRUSA-N 1 0 417.579 2.391 20 0 HEADRO COCCS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000738521287 1075999342 /nfs/dbraw/zinc/99/93/42/1075999342.db2.gz GPUKZUVOBGZWRE-UHFFFAOYSA-N 1 0 404.532 2.441 20 0 HEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000738517163 1075999362 /nfs/dbraw/zinc/99/93/62/1075999362.db2.gz TUOAHCCNDWUFHI-UHFFFAOYSA-N 1 0 400.504 2.072 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000771776727 1079498551 /nfs/dbraw/zinc/49/85/51/1079498551.db2.gz RNPFVAAMMXISNH-LJQANCHMSA-N 1 0 411.568 2.200 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NCCCO[C@@H](C)c1ccccc1)CC2 ZINC000771778232 1079499063 /nfs/dbraw/zinc/49/90/63/1079499063.db2.gz FXDJKHMMSKWIGW-KRWDZBQOSA-N 1 0 417.506 2.054 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NC[C@H](c1ccccc1)C(C)C)CC2 ZINC000771780062 1079501858 /nfs/dbraw/zinc/50/18/58/1079501858.db2.gz QMTVFOMDMPVDCE-SFHVURJKSA-N 1 0 401.507 2.326 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](C[C@@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000771780042 1079502141 /nfs/dbraw/zinc/50/21/41/1079502141.db2.gz JUDBEDAFCLZJRS-AWEZNQCLSA-N 1 0 400.397 2.393 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000738991365 1076029514 /nfs/dbraw/zinc/02/95/14/1076029514.db2.gz PTMRRUSAQKKXFC-UHFFFAOYSA-N 1 0 423.602 2.199 20 0 HEADRO COc1c(C)cnc(CNC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1C ZINC000739083878 1076029820 /nfs/dbraw/zinc/02/98/20/1076029820.db2.gz ZSXHBPUXHBDHIC-UHFFFAOYSA-N 1 0 414.506 2.211 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000738992116 1076029928 /nfs/dbraw/zinc/02/99/28/1076029928.db2.gz YJTYZIVJFLYJIJ-LJQANCHMSA-N 1 0 423.602 2.199 20 0 HEADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)CC1 ZINC000739064311 1076034225 /nfs/dbraw/zinc/03/42/25/1076034225.db2.gz ARLLMKJJQFNPGX-SFHVURJKSA-N 1 0 402.539 2.088 20 0 HEADRO Cc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cn1 ZINC000739065155 1076034588 /nfs/dbraw/zinc/03/45/88/1076034588.db2.gz FNDQQGSKAMRNCY-UHFFFAOYSA-N 1 0 409.534 2.423 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000739066965 1076036348 /nfs/dbraw/zinc/03/63/48/1076036348.db2.gz JZAFCQUTRVKGTH-SQNIBIBYSA-N 1 0 402.539 2.087 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000739073419 1076038149 /nfs/dbraw/zinc/03/81/49/1076038149.db2.gz ZVAGXXDORYYHNS-RCCFBDPRSA-N 1 0 402.539 2.229 20 0 HEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000739086295 1076042310 /nfs/dbraw/zinc/04/23/10/1076042310.db2.gz LFPSPRWFYVPLQE-PKOBYXMFSA-N 1 0 402.539 2.231 20 0 HEADRO O=C(Nc1ccc(CN2CCOC2=O)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000739119696 1076046394 /nfs/dbraw/zinc/04/63/94/1076046394.db2.gz MKPXHCYSXBUXPS-IBGZPJMESA-N 1 0 414.506 2.054 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000739120804 1076046689 /nfs/dbraw/zinc/04/66/89/1076046689.db2.gz TWERDMKCWOHVGJ-UYAOXDASSA-N 1 0 414.550 2.327 20 0 HEADRO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000739122461 1076047727 /nfs/dbraw/zinc/04/77/27/1076047727.db2.gz ZDHYKUYBPNMBBE-UHFFFAOYSA-N 1 0 420.941 2.457 20 0 HEADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739696517 1076072907 /nfs/dbraw/zinc/07/29/07/1076072907.db2.gz JARGOQKHBUHZMD-IRXDYDNUSA-N 1 0 411.543 2.071 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)ccn2)CC1 ZINC000739698601 1076073556 /nfs/dbraw/zinc/07/35/56/1076073556.db2.gz KIMDOQMXHGDHBM-MSOLQXFVSA-N 1 0 417.554 2.143 20 0 HEADRO C[C@H]1NC(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)=NN(c2ccccc2)C1=O ZINC000739799850 1076076117 /nfs/dbraw/zinc/07/61/17/1076076117.db2.gz HAMCWRIHMWONCR-GOSISDBHSA-N 1 0 405.502 2.454 20 0 HEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@](C)(O)c3cccs3)cc2)CC1 ZINC000740032945 1076097770 /nfs/dbraw/zinc/09/77/70/1076097770.db2.gz JCDVYFYTQJQHOR-NRFANRHFSA-N 1 0 402.564 2.202 20 0 HEADRO C[NH+]1CCN(C[C@H](NC(=O)NC[C@](C)(O)c2cccs2)c2ccccc2)CC1 ZINC000740477405 1076185992 /nfs/dbraw/zinc/18/59/92/1076185992.db2.gz BSEFGJCUVANBDO-RXVVDRJESA-N 1 0 402.564 2.244 20 0 HEADRO CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000740511958 1076198663 /nfs/dbraw/zinc/19/86/63/1076198663.db2.gz CHYGHNGLFGOZNS-HNNXBMFYSA-N 1 0 417.510 2.311 20 0 HEADRO C[C@H]1NC(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)=NN(c2ccccc2)C1=O ZINC000740724663 1076217551 /nfs/dbraw/zinc/21/75/51/1076217551.db2.gz RJATYPMQEZKEOO-MRXNPFEDSA-N 1 0 418.501 2.480 20 0 HEADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000740804218 1076243836 /nfs/dbraw/zinc/24/38/36/1076243836.db2.gz ZZEKDPYLQVWPBA-INIZCTEOSA-N 1 0 408.506 2.125 20 0 HEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC000740825945 1076249177 /nfs/dbraw/zinc/24/91/77/1076249177.db2.gz UJQXLGGJRXWPJO-IRXDYDNUSA-N 1 0 410.946 2.268 20 0 HEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC000740825944 1076249391 /nfs/dbraw/zinc/24/93/91/1076249391.db2.gz UJQXLGGJRXWPJO-IAGOWNOFSA-N 1 0 410.946 2.268 20 0 HEADRO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)ccc12 ZINC000740873593 1076276877 /nfs/dbraw/zinc/27/68/77/1076276877.db2.gz NRXVHQSUJKDUFL-KRWDZBQOSA-N 1 0 400.475 2.051 20 0 HEADRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000740877300 1076278248 /nfs/dbraw/zinc/27/82/48/1076278248.db2.gz LRAQYSXTRWULMZ-DEOSSOPVSA-N 1 0 407.514 2.289 20 0 HEADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCOc2ccc3c(C)cc(=O)oc3c2)C1 ZINC000740875843 1076278597 /nfs/dbraw/zinc/27/85/97/1076278597.db2.gz HHDYLFCKQYLLDV-IRXDYDNUSA-N 1 0 402.491 2.343 20 0 HEADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740885222 1076284589 /nfs/dbraw/zinc/28/45/89/1076284589.db2.gz ZDBKFLJGGPQSSZ-BFYDXBDKSA-N 1 0 408.495 2.390 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C ZINC000740886746 1076286628 /nfs/dbraw/zinc/28/66/28/1076286628.db2.gz YXYIRSJOBOZJBM-HIFRSBDPSA-N 1 0 403.495 2.426 20 0 HEADRO CC[C@@H]1C[N@H+](CCCC(=O)NC(N)=O)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740888078 1076289016 /nfs/dbraw/zinc/28/90/16/1076289016.db2.gz MLARARQLEMONJC-ZWKOTPCHSA-N 1 0 404.511 2.473 20 0 HEADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(N3CCOC3=O)cc2)o1 ZINC000740890863 1076291689 /nfs/dbraw/zinc/29/16/89/1076291689.db2.gz AUCKKIBLEMPLRW-UHFFFAOYSA-N 1 0 407.492 2.297 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](O)c3ccccc3Cl)cn2)CC1 ZINC000740904686 1076297814 /nfs/dbraw/zinc/29/78/14/1076297814.db2.gz LBCPNOVVOKQHFS-GOSISDBHSA-N 1 0 403.914 2.020 20 0 HEADRO C[C@@](O)(CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccsc1 ZINC000740906183 1076299017 /nfs/dbraw/zinc/29/90/17/1076299017.db2.gz BRLMOQLEZJUOMA-OAQYLSRUSA-N 1 0 402.564 2.467 20 0 HEADRO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740916883 1076304673 /nfs/dbraw/zinc/30/46/73/1076304673.db2.gz DRFCNMLKHDRIPY-ZHALLVOQSA-N 1 0 423.602 2.100 20 0 HEADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000740925877 1076308213 /nfs/dbraw/zinc/30/82/13/1076308213.db2.gz WLBZTJXOLUFSLU-AWEZNQCLSA-N 1 0 420.510 2.056 20 0 HEADRO CCOC(=O)c1c(C)oc2nc(COC(=O)[C@H](C(C)C)[NH+]3CCCC3)nc(N)c21 ZINC000741014071 1076329423 /nfs/dbraw/zinc/32/94/23/1076329423.db2.gz IUKAZQIKTOKBAX-INIZCTEOSA-N 1 0 404.467 2.454 20 0 HEADRO CC(C)[C@@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)NC(=O)OC(C)(C)C ZINC000741088847 1076350254 /nfs/dbraw/zinc/35/02/54/1076350254.db2.gz DLSPHYFCLJPLRA-QGZVFWFLSA-N 1 0 400.564 2.024 20 0 HEADRO O=C(NC[C@@H](O)c1c(F)cccc1F)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000741102845 1076373266 /nfs/dbraw/zinc/37/32/66/1076373266.db2.gz KJDYOXSYQMFCME-LJQANCHMSA-N 1 0 417.456 2.391 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)CN(C)C(=O)c2ccc(Br)o2)C1 ZINC000741118003 1076378693 /nfs/dbraw/zinc/37/86/93/1076378693.db2.gz MGHHMLDFKSCNNS-CYBMUJFWSA-N 1 0 417.300 2.014 20 0 HEADRO COc1ccc([C@@H]2[C@@H](COC(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC[N@@H+]2C)cc1 ZINC000741123612 1076380257 /nfs/dbraw/zinc/38/02/57/1076380257.db2.gz HMJAUHAQFOCLTJ-NZSAHSFTSA-N 1 0 410.536 2.045 20 0 HEADRO COc1ccc([C@H]2[C@@H](COC(=O)Cc3ccc(-n4cnnn4)cc3)CC[N@@H+]2C)cc1 ZINC000741125620 1076380579 /nfs/dbraw/zinc/38/05/79/1076380579.db2.gz XNJRAGMYTDKCBF-GCJKJVERSA-N 1 0 407.474 2.450 20 0 HEADRO CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000741139286 1076383097 /nfs/dbraw/zinc/38/30/97/1076383097.db2.gz KVHUBRBOBOHAFA-QZTJIDSGSA-N 1 0 402.539 2.183 20 0 HEADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000741155492 1076389144 /nfs/dbraw/zinc/38/91/44/1076389144.db2.gz GFCUWNPNZXVARR-HSALFYBXSA-N 1 0 422.614 2.366 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000741145739 1076391831 /nfs/dbraw/zinc/39/18/31/1076391831.db2.gz IOXLYDTYWFSSFB-UHFFFAOYSA-N 1 0 417.554 2.109 20 0 HEADRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)CC2 ZINC000741250416 1076420169 /nfs/dbraw/zinc/42/01/69/1076420169.db2.gz HDTUAHJXUUCZOX-VQTJNVASSA-N 1 0 415.534 2.159 20 0 HEADRO COc1ccc(CNC(=S)C(C(=O)c2cnn(C)c2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000741237799 1076430434 /nfs/dbraw/zinc/43/04/34/1076430434.db2.gz IBZIXDZOFZZFDE-UHFFFAOYSA-O 1 0 424.550 2.263 20 0 HEADRO Cn1cc(C(=O)C(C(=S)NCC(C)(C)C[NH+](C)C)[n+]2cc([O-])cc(Cl)c2)cn1 ZINC000741240071 1076431748 /nfs/dbraw/zinc/43/17/48/1076431748.db2.gz VPRBHGDTOLFCEK-UHFFFAOYSA-O 1 0 424.978 2.455 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000741272605 1076439655 /nfs/dbraw/zinc/43/96/55/1076439655.db2.gz ROHBRBGYGCMXLK-KRWDZBQOSA-N 1 0 421.904 2.159 20 0 HEADRO COC(=O)C1(C)CCC([NH2+][C@@H](CO)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001168772454 1076463862 /nfs/dbraw/zinc/46/38/62/1076463862.db2.gz KKZRNUPKXXDMAV-QQHGCPPCSA-N 1 0 416.474 2.112 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)N3CCO[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000741340979 1076473298 /nfs/dbraw/zinc/47/32/98/1076473298.db2.gz LKNNGTLILZFORD-SFTDATJTSA-N 1 0 415.534 2.155 20 0 HEADRO CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741326163 1076476739 /nfs/dbraw/zinc/47/67/39/1076476739.db2.gz LATGLIVRXYWKPK-WBVHZDCISA-N 1 0 407.486 2.451 20 0 HEADRO Nc1ncnc2c1ncn2CCCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741331133 1076478485 /nfs/dbraw/zinc/47/84/85/1076478485.db2.gz SVELJSVGKJVFBR-INIZCTEOSA-N 1 0 412.469 2.393 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)c3cc(C(=O)OC)co3)cc2)CC1 ZINC000741343572 1076487234 /nfs/dbraw/zinc/48/72/34/1076487234.db2.gz XICDXUZSIOCWRM-UHFFFAOYSA-N 1 0 400.431 2.248 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CCO1 ZINC000741402145 1076511041 /nfs/dbraw/zinc/51/10/41/1076511041.db2.gz IIMIIECAHYAZCH-UXHICEINSA-N 1 0 419.522 2.196 20 0 HEADRO Cc1nccn1-c1ncccc1CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741403963 1076511684 /nfs/dbraw/zinc/51/16/84/1076511684.db2.gz IDIDGZRZNABTIR-HSZRJFAPSA-N 1 0 420.517 2.012 20 0 HEADRO CC(C)[C@@H](CNC(=O)NC[C@@H](O)c1c(F)cccc1Cl)[NH+]1CCN(C)CC1 ZINC000741412848 1076514180 /nfs/dbraw/zinc/51/41/80/1076514180.db2.gz VDSCNKJCGDEZQQ-IAGOWNOFSA-N 1 0 400.926 2.084 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000741412580 1076514567 /nfs/dbraw/zinc/51/45/67/1076514567.db2.gz SMERKSTXNPZIPE-ZWKOTPCHSA-N 1 0 410.559 2.232 20 0 HEADRO C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000741414730 1076515243 /nfs/dbraw/zinc/51/52/43/1076515243.db2.gz VFUIMUNSPLPGEM-BXKMTCNYSA-N 1 0 422.529 2.203 20 0 HEADRO COCC(=O)Nc1ccc(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741394515 1076520208 /nfs/dbraw/zinc/52/02/08/1076520208.db2.gz MVQIWYFFUSGDEK-JOCHJYFZSA-N 1 0 412.490 2.030 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C1 ZINC000741441331 1076530837 /nfs/dbraw/zinc/53/08/37/1076530837.db2.gz HACCRTXGVKTYEY-TZIWHRDSSA-N 1 0 418.534 2.204 20 0 HEADRO C[NH+](C)CCCNC(=S)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000741490666 1076541126 /nfs/dbraw/zinc/54/11/26/1076541126.db2.gz YNGCDCGKVYYJPT-UHFFFAOYSA-N 1 0 422.576 2.193 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000766271964 1076542033 /nfs/dbraw/zinc/54/20/33/1076542033.db2.gz WPPFTLCOXVMTFC-IBGZPJMESA-N 1 0 422.595 2.088 20 0 HEADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cc(N3CCOC3=O)ccc2F)cc1 ZINC000741536527 1076542627 /nfs/dbraw/zinc/54/26/27/1076542627.db2.gz YVYMNVIWNXMQPF-UHFFFAOYSA-N 1 0 414.437 2.326 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)[C@H](C)C1 ZINC000741588157 1076546949 /nfs/dbraw/zinc/54/69/49/1076546949.db2.gz HOPWUXYZOLJHCT-CRAIPNDOSA-N 1 0 411.543 2.413 20 0 HEADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Cl ZINC000741589173 1076547059 /nfs/dbraw/zinc/54/70/59/1076547059.db2.gz LJIWGMNDFLDICU-JSGCOSHPSA-N 1 0 403.932 2.077 20 0 HEADRO 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 1076547276 /nfs/dbraw/zinc/54/72/76/1076547276.db2.gz PMLMYYCLKBRVII-CZUORRHYSA-N 1 0 417.959 2.324 20 0 HEADRO 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 1076547344 /nfs/dbraw/zinc/54/73/44/1076547344.db2.gz PMLMYYCLKBRVII-CJNGLKHVSA-N 1 0 417.959 2.324 20 0 HEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000741584372 1076553489 /nfs/dbraw/zinc/55/34/89/1076553489.db2.gz JCDNLCFPPPUKGV-MAUKXSAKSA-N 1 0 411.543 2.413 20 0 HEADRO COCCOc1ccc(-n2nc(C)c(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)n2)cc1 ZINC000741584917 1076554466 /nfs/dbraw/zinc/55/44/66/1076554466.db2.gz LPVPHJDBKOJXRJ-KXBFYZLASA-N 1 0 401.511 2.013 20 0 HEADRO CC(=O)[C@@H]1CC(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)=NN1c1ccccc1 ZINC000741603650 1076562559 /nfs/dbraw/zinc/56/25/59/1076562559.db2.gz NSVKZMACWZYLEY-QFIPXVFZSA-N 1 0 404.514 2.426 20 0 HEADRO COC(=O)NC(C)(C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000741610774 1076565175 /nfs/dbraw/zinc/56/51/75/1076565175.db2.gz WETJRVUIUYBSQM-UHFFFAOYSA-N 1 0 416.444 2.208 20 0 HEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(N2CCOC2=O)ccc1F ZINC000741685305 1076585206 /nfs/dbraw/zinc/58/52/06/1076585206.db2.gz REZRURPDJPIVFE-UHFFFAOYSA-N 1 0 409.458 2.128 20 0 HEADRO CC(C)c1nn(C)c(Cl)c1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000741690863 1076588062 /nfs/dbraw/zinc/58/80/62/1076588062.db2.gz SJGHSBZYCURLJG-UHFFFAOYSA-N 1 0 405.930 2.418 20 0 HEADRO C[N@@H+]1CCC[C@H](CNC(=O)CS[C@H]2CCS(=O)(=O)C2)[C@@H]1c1cccs1 ZINC000741710758 1076601643 /nfs/dbraw/zinc/60/16/43/1076601643.db2.gz HTRMQZOIPAKPMF-JKIFEVAISA-N 1 0 402.607 2.168 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000741774503 1076621838 /nfs/dbraw/zinc/62/18/38/1076621838.db2.gz CZLWUFBDFSQWKY-LJQANCHMSA-N 1 0 408.587 2.264 20 0 HEADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000741791344 1076628886 /nfs/dbraw/zinc/62/88/86/1076628886.db2.gz QGBDLIHNYHOFML-BEWREHSGSA-N 1 0 408.495 2.303 20 0 HEADRO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741796603 1076632499 /nfs/dbraw/zinc/63/24/99/1076632499.db2.gz IHKJNKVJHYGHML-IBGZPJMESA-N 1 0 418.538 2.496 20 0 HEADRO S=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](CN2CCOCC2)C1 ZINC000741867731 1076656524 /nfs/dbraw/zinc/65/65/24/1076656524.db2.gz YQJSCOFFCPIBGD-HXUWFJFHSA-N 1 0 402.608 2.180 20 0 HEADRO Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000741981886 1076702162 /nfs/dbraw/zinc/70/21/62/1076702162.db2.gz BNBFEKMAKNXBRO-UHFFFAOYSA-N 1 0 422.533 2.445 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)cc1 ZINC000741982502 1076702416 /nfs/dbraw/zinc/70/24/16/1076702416.db2.gz USOIPFQHHFLJCZ-BGYRXZFFSA-N 1 0 412.534 2.013 20 0 HEADRO CCC[NH+]1CCC(N(C)C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000742051771 1076718815 /nfs/dbraw/zinc/71/88/15/1076718815.db2.gz CSZOOWRNIRNNCS-UHFFFAOYSA-N 1 0 420.579 2.180 20 0 HEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000742056438 1076720352 /nfs/dbraw/zinc/72/03/52/1076720352.db2.gz URWGFTOEQHVESR-IAGOWNOFSA-N 1 0 420.579 2.084 20 0 HEADRO CN(CCCC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000742057482 1076720513 /nfs/dbraw/zinc/72/05/13/1076720513.db2.gz AAVFCYHBFCUSBX-UHFFFAOYSA-N 1 0 420.579 2.180 20 0 HEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000742038195 1076727293 /nfs/dbraw/zinc/72/72/93/1076727293.db2.gz GXAAKGIDZMGOEY-KRWDZBQOSA-N 1 0 420.579 2.228 20 0 HEADRO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742106893 1076743707 /nfs/dbraw/zinc/74/37/07/1076743707.db2.gz AQQJONGQNSBUMB-OTWHNJEPSA-N 1 0 419.522 2.431 20 0 HEADRO O=C(/C=C\c1ccc(I)o1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742107160 1076744639 /nfs/dbraw/zinc/74/46/39/1076744639.db2.gz GLWDLKMYMKSRBE-LSYFEZSPSA-N 1 0 416.259 2.078 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)c3ccnc(N4CC[NH+](C)CC4)c3)CC2)cc1 ZINC000742109362 1076745125 /nfs/dbraw/zinc/74/51/25/1076745125.db2.gz NUCBQXYMGBBBHU-UHFFFAOYSA-N 1 0 422.577 2.298 20 0 HEADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000742120410 1076748966 /nfs/dbraw/zinc/74/89/66/1076748966.db2.gz WFUCIUKHKVNTOH-MBSDFSHPSA-N 1 0 412.534 2.096 20 0 HEADRO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CC[C@H]([NH+]2CC=CC2)C1 ZINC000742163130 1076760786 /nfs/dbraw/zinc/76/07/86/1076760786.db2.gz QCZVKHTXKPYHAS-NRFANRHFSA-N 1 0 402.498 2.386 20 0 HEADRO COc1ccc(-c2nn(CN3CC[C@@H](C[NH+]4CCOCC4)C3)c(=S)n2C)cc1 ZINC000742167323 1076762267 /nfs/dbraw/zinc/76/22/67/1076762267.db2.gz SIAOJKHPNRXPEP-INIZCTEOSA-N 1 0 403.552 2.238 20 0 HEADRO CC(C)Cn1c(CCC(N)=O)nn(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1=S ZINC000742168522 1076762860 /nfs/dbraw/zinc/76/28/60/1076762860.db2.gz BOOQWQGIHZNEOD-QGZVFWFLSA-N 1 0 408.616 2.253 20 0 HEADRO CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(C[NH+](CC1CC1)CC1CC1)C2=O ZINC000742149635 1076766051 /nfs/dbraw/zinc/76/60/51/1076766051.db2.gz MZEIACBGFLTZQC-UHFFFAOYSA-N 1 0 406.527 2.387 20 0 HEADRO C[C@@H](NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000742197466 1076785630 /nfs/dbraw/zinc/78/56/30/1076785630.db2.gz UJGZEKPRVJEPNG-PYUISTEWSA-N 1 0 421.563 2.221 20 0 HEADRO C[NH+](C)C1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000742276494 1076808677 /nfs/dbraw/zinc/80/86/77/1076808677.db2.gz HPPULEAJMJJQOU-LJQANCHMSA-N 1 0 409.552 2.143 20 0 HEADRO C[C@H](CNS(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000742277861 1076808864 /nfs/dbraw/zinc/80/88/64/1076808864.db2.gz GJJGLOFULTXRLO-UYAOXDASSA-N 1 0 423.579 2.439 20 0 HEADRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742308062 1076813980 /nfs/dbraw/zinc/81/39/80/1076813980.db2.gz CFRWAQAXUYVERC-VQTJNVASSA-N 1 0 423.579 2.391 20 0 HEADRO CC[N@H+](CCNS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000742287607 1076816895 /nfs/dbraw/zinc/81/68/95/1076816895.db2.gz KDFGMHBZVVZSFX-LJQANCHMSA-N 1 0 423.579 2.439 20 0 HEADRO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)cc21 ZINC000742334759 1076825739 /nfs/dbraw/zinc/82/57/39/1076825739.db2.gz UQJSEYPBKDLUTM-HXUWFJFHSA-N 1 0 413.543 2.491 20 0 HEADRO C[C@H](CNS(=O)(=O)/C=C\c1ccccc1Br)CN1CC[NH+](C)CC1 ZINC000742312860 1076827838 /nfs/dbraw/zinc/82/78/38/1076827838.db2.gz NGNXCXOBADYDAK-WASHYIJTSA-N 1 0 416.385 2.223 20 0 HEADRO Cc1cc(N2CC[C@H](ON=C(N)c3ccccc3C[NH+]3CCCCC3)C2=O)n(C)n1 ZINC000742356361 1076830149 /nfs/dbraw/zinc/83/01/49/1076830149.db2.gz ADEITMWSMWQBKT-IBGZPJMESA-N 1 0 410.522 2.366 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Br)C1 ZINC000742346360 1076832237 /nfs/dbraw/zinc/83/22/37/1076832237.db2.gz HJBNKUKSUFFJFC-GFCCVEGCSA-N 1 0 419.341 2.198 20 0 HEADRO CCN1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)cc2S1(=O)=O ZINC000742397064 1076834081 /nfs/dbraw/zinc/83/40/81/1076834081.db2.gz LHBKCMSTECXAFY-GOSISDBHSA-N 1 0 415.515 2.192 20 0 HEADRO COc1cccc(C[NH+]2CCC(NC(=O)c3cn(Cc4ccccn4)nn3)CC2)c1 ZINC000742562431 1076849550 /nfs/dbraw/zinc/84/95/50/1076849550.db2.gz JIQODIWAJIUFCG-UHFFFAOYSA-N 1 0 406.490 2.124 20 0 HEADRO COCC[N@@H+]1CCCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742582829 1076853326 /nfs/dbraw/zinc/85/33/26/1076853326.db2.gz KVLQTGGHELEHOC-LJQANCHMSA-N 1 0 405.539 2.476 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000742599146 1076854783 /nfs/dbraw/zinc/85/47/83/1076854783.db2.gz SHXMHDFIWOEHIX-QRVBRYPASA-N 1 0 403.523 2.274 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000742642906 1076860643 /nfs/dbraw/zinc/86/06/43/1076860643.db2.gz ODCOZXIPHRTCSU-XUVXKRRUSA-N 1 0 417.550 2.353 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000742642904 1076860705 /nfs/dbraw/zinc/86/07/05/1076860705.db2.gz ODCOZXIPHRTCSU-SLFFLAALSA-N 1 0 417.550 2.353 20 0 HEADRO CC(C)(C)C(=O)Nc1nc(CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cs1 ZINC000742669385 1076862584 /nfs/dbraw/zinc/86/25/84/1076862584.db2.gz KHVUFMWZWXVLQN-MRXNPFEDSA-N 1 0 408.568 2.430 20 0 HEADRO C[C@@H](CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000742670568 1076863285 /nfs/dbraw/zinc/86/32/85/1076863285.db2.gz VFNOUSWAQUZGPU-KRWDZBQOSA-N 1 0 424.586 2.130 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN1Cc2ccccc2C1 ZINC000742691951 1076867391 /nfs/dbraw/zinc/86/73/91/1076867391.db2.gz ZEQYQRBTYMRLMB-QGZVFWFLSA-N 1 0 408.955 2.310 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000742834202 1076885289 /nfs/dbraw/zinc/88/52/89/1076885289.db2.gz NHABSNCKTVUXGA-UHFFFAOYSA-N 1 0 408.587 2.264 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000742880972 1076888556 /nfs/dbraw/zinc/88/85/56/1076888556.db2.gz DOLWZQHJDMYZJI-AWEZNQCLSA-N 1 0 401.960 2.394 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)C1 ZINC000742869073 1076890221 /nfs/dbraw/zinc/89/02/21/1076890221.db2.gz VVATXTIOMFYQOH-SFHVURJKSA-N 1 0 415.538 2.405 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)C1 ZINC000742868630 1076890238 /nfs/dbraw/zinc/89/02/38/1076890238.db2.gz SRVJRRSZEQIYMU-OAHLLOKOSA-N 1 0 407.536 2.043 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000742867907 1076890275 /nfs/dbraw/zinc/89/02/75/1076890275.db2.gz OKJZAGAIVVVNNJ-INIZCTEOSA-N 1 0 411.543 2.414 20 0 HEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc2)CC1 ZINC000742896687 1076893831 /nfs/dbraw/zinc/89/38/31/1076893831.db2.gz BPWHTAPCXCNHAT-OAQYLSRUSA-N 1 0 409.486 2.033 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000742915142 1076896909 /nfs/dbraw/zinc/89/69/09/1076896909.db2.gz DDRYPXZMSMUOGH-SFHVURJKSA-N 1 0 422.595 2.219 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c[nH]1 ZINC000743047157 1076936650 /nfs/dbraw/zinc/93/66/50/1076936650.db2.gz SKHANPXADQKYHZ-UHFFFAOYSA-N 1 0 424.498 2.272 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 ZINC000743098087 1076953093 /nfs/dbraw/zinc/95/30/93/1076953093.db2.gz LQYXRJSIDPFLPU-QGZVFWFLSA-N 1 0 403.527 2.034 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000743141221 1076975021 /nfs/dbraw/zinc/97/50/21/1076975021.db2.gz XVVPAOXNCZZRLN-QGZVFWFLSA-N 1 0 407.534 2.057 20 0 HEADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)CC1 ZINC000743168875 1076985629 /nfs/dbraw/zinc/98/56/29/1076985629.db2.gz GENNNZBWPQQNRQ-IBGZPJMESA-N 1 0 403.571 2.451 20 0 HEADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000743204882 1076994730 /nfs/dbraw/zinc/99/47/30/1076994730.db2.gz ZZUBRIIRELFCQX-AWEZNQCLSA-N 1 0 401.389 2.198 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)C1 ZINC000743207434 1077000151 /nfs/dbraw/zinc/00/01/51/1077000151.db2.gz LEHCZBGLZJQCLY-IAGOWNOFSA-N 1 0 411.572 2.046 20 0 HEADRO CS(=O)(=O)CCn1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000743209400 1077001257 /nfs/dbraw/zinc/00/12/57/1077001257.db2.gz XGLGAUWHIZCWGI-QGZVFWFLSA-N 1 0 411.572 2.094 20 0 HEADRO COC(=O)c1cc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(OC)c(OC)c1 ZINC000743194779 1077003558 /nfs/dbraw/zinc/00/35/58/1077003558.db2.gz OSQAWLCMIZGDDF-MRXNPFEDSA-N 1 0 421.494 2.255 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cccc(N3CCOC3=O)c2C)CC1 ZINC000743243789 1077012967 /nfs/dbraw/zinc/01/29/67/1077012967.db2.gz MUUXBFUQEUUVFQ-MRXNPFEDSA-N 1 0 403.527 2.347 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000743243262 1077013263 /nfs/dbraw/zinc/01/32/63/1077013263.db2.gz WFBQJUJTEYXTPJ-UHFFFAOYSA-N 1 0 424.505 2.420 20 0 HEADRO CCC(=O)N1CCC[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000743262306 1077017411 /nfs/dbraw/zinc/01/74/11/1077017411.db2.gz UCZLUTIWDVGXRW-PMACEKPBSA-N 1 0 419.566 2.428 20 0 HEADRO CCN(CC)C(=O)[C@H]1CCCN1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000743271637 1077021153 /nfs/dbraw/zinc/02/11/53/1077021153.db2.gz JDNZTPJPRWAXMF-OAQYLSRUSA-N 1 0 415.582 2.100 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCC(C4N=NC(=S)N4C)CC3)cc2)CC1 ZINC000743336106 1077029847 /nfs/dbraw/zinc/02/98/47/1077029847.db2.gz DFESVGZBWIIOIF-UHFFFAOYSA-N 1 0 414.579 2.266 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(Cn2ncc(Br)c(Br)c2=O)C1 ZINC000743387896 1077039078 /nfs/dbraw/zinc/03/90/78/1077039078.db2.gz PDBQRBUCOPYJHI-NSHDSACASA-N 1 0 422.165 2.390 20 0 HEADRO C[C@]1(CCc2ccc3c(c2)OCO3)NC(=O)N(C[N@@H+]2CCC3(C2)CCOCC3)C1=O ZINC000743406745 1077047878 /nfs/dbraw/zinc/04/78/78/1077047878.db2.gz KKOFUGULKATGEH-OAQYLSRUSA-N 1 0 415.490 2.118 20 0 HEADRO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000743413222 1077048779 /nfs/dbraw/zinc/04/87/79/1077048779.db2.gz CCAAITXVBREQJU-MRXNPFEDSA-N 1 0 404.511 2.454 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(-n2ccnc2C)nc1)c1ccco1 ZINC000743413518 1077049371 /nfs/dbraw/zinc/04/93/71/1077049371.db2.gz FSUZEPXJSPWXOI-KRWDZBQOSA-N 1 0 410.478 2.307 20 0 HEADRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)[NH+](C)C)cc1 ZINC000743413624 1077049406 /nfs/dbraw/zinc/04/94/06/1077049406.db2.gz INAAQRGXKDHSIZ-HXUWFJFHSA-N 1 0 424.501 2.305 20 0 HEADRO CCc1ccc(N2CCN(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)CC2)cc1 ZINC000743565135 1077069879 /nfs/dbraw/zinc/06/98/79/1077069879.db2.gz SWKLTABYLXSMDW-UHFFFAOYSA-N 1 0 422.577 2.428 20 0 HEADRO CC(C)(C)OC(=O)N[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000743594209 1077077453 /nfs/dbraw/zinc/07/74/53/1077077453.db2.gz QYLOAOOFWVHRQA-GUDVDZBRSA-N 1 0 418.538 2.415 20 0 HEADRO C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Oc1cccc(Br)c1 ZINC000743594663 1077077980 /nfs/dbraw/zinc/07/79/80/1077077980.db2.gz VVNBQEWBRLXQGK-FRFSOERESA-N 1 0 412.328 2.379 20 0 HEADRO Cn1cc([C@H](O)CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000743595404 1077078058 /nfs/dbraw/zinc/07/80/58/1077078058.db2.gz BDNXJBCYGXIEQT-LJQANCHMSA-N 1 0 405.930 2.318 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC1 ZINC000743694382 1077091744 /nfs/dbraw/zinc/09/17/44/1077091744.db2.gz WCHHBEZXFMECML-UHFFFAOYSA-N 1 0 422.576 2.150 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H](Cc1ccccc1)[NH+](C)C ZINC000743714737 1077095276 /nfs/dbraw/zinc/09/52/76/1077095276.db2.gz PZHCXAAUMGLPMY-ROUUACIJSA-N 1 0 424.998 2.467 20 0 HEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000743717126 1077095772 /nfs/dbraw/zinc/09/57/72/1077095772.db2.gz DUJFLDSBJIGCLG-ZCNNSNEGSA-N 1 0 403.523 2.091 20 0 HEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000743717122 1077096055 /nfs/dbraw/zinc/09/60/55/1077096055.db2.gz DUJFLDSBJIGCLG-AQNXPRMDSA-N 1 0 403.523 2.091 20 0 HEADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001545680667 1077100147 /nfs/dbraw/zinc/10/01/47/1077100147.db2.gz GTJIDFNGVKRNGG-ZIFCJYIRSA-N 1 0 418.586 2.355 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CSc1cccc[n+]1[O-] ZINC000743783510 1077112482 /nfs/dbraw/zinc/11/24/82/1077112482.db2.gz BPKLXNCIXPDHNK-UHFFFAOYSA-N 1 0 402.520 2.201 20 0 HEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(N2CCOC2=O)ccc1F ZINC000743765328 1077117593 /nfs/dbraw/zinc/11/75/93/1077117593.db2.gz IADLZROQXSBLRJ-QFIPXVFZSA-N 1 0 413.449 2.149 20 0 HEADRO CC(C)COC(=O)N1CCC(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000743766232 1077119353 /nfs/dbraw/zinc/11/93/53/1077119353.db2.gz UYKKWAIXQALXEZ-HSZRJFAPSA-N 1 0 417.550 2.244 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000743765888 1077120371 /nfs/dbraw/zinc/12/03/71/1077120371.db2.gz DXXVCGBEOWGZSK-HSZRJFAPSA-N 1 0 417.550 2.387 20 0 HEADRO CCOC(=O)C1=C(CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)NC(=O)N[C@H]1C ZINC000743871577 1077155844 /nfs/dbraw/zinc/15/58/44/1077155844.db2.gz ILEYWVZHIRBMJM-SJORKVTESA-N 1 0 400.523 2.101 20 0 HEADRO Cc1c(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)cccc1N1CCOC1=O ZINC000743879793 1077164731 /nfs/dbraw/zinc/16/47/31/1077164731.db2.gz JRIYHNJPETUPGJ-UHFFFAOYSA-N 1 0 402.495 2.128 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000743882942 1077171852 /nfs/dbraw/zinc/17/18/52/1077171852.db2.gz GGODDNFTANGPBS-HOCLYGCPSA-N 1 0 402.495 2.127 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000743885750 1077176824 /nfs/dbraw/zinc/17/68/24/1077176824.db2.gz ZVSMXGDLNSPHJL-CVEARBPZSA-N 1 0 402.495 2.269 20 0 HEADRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1N1CCOC1=O ZINC000743913366 1077190052 /nfs/dbraw/zinc/19/00/52/1077190052.db2.gz FEFQXLYXFGCOJS-MRXNPFEDSA-N 1 0 402.495 2.127 20 0 HEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000743917746 1077197963 /nfs/dbraw/zinc/19/79/63/1077197963.db2.gz RPWDMTIICJEMGU-CALCHBBNSA-N 1 0 402.539 2.229 20 0 HEADRO O=C(Nc1ccc(N2CCSCC2)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000743894822 1077206883 /nfs/dbraw/zinc/20/68/83/1077206883.db2.gz WCXQETZCMKTAEV-IBGZPJMESA-N 1 0 402.564 2.265 20 0 HEADRO CCOC(=O)c1c2c(sc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)CCC2 ZINC000743894837 1077207370 /nfs/dbraw/zinc/20/73/70/1077207370.db2.gz BJYHINGICJEAQL-CYBMUJFWSA-N 1 0 407.536 2.343 20 0 HEADRO Cc1c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1N1CCOC1=O ZINC000743897702 1077208787 /nfs/dbraw/zinc/20/87/87/1077208787.db2.gz SAOCKNYATODSAW-LSDHHAIUSA-N 1 0 402.495 2.127 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000743939142 1077232472 /nfs/dbraw/zinc/23/24/72/1077232472.db2.gz JCOHVYYYMCWTNA-XUVXKRRUSA-N 1 0 414.550 2.087 20 0 HEADRO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000743942506 1077235171 /nfs/dbraw/zinc/23/51/71/1077235171.db2.gz DLFNLMVUAUGKCS-UHFFFAOYSA-N 1 0 402.539 2.345 20 0 HEADRO O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000743942106 1077235686 /nfs/dbraw/zinc/23/56/86/1077235686.db2.gz AVRAVZRNYGPQPU-NRFANRHFSA-N 1 0 419.481 2.455 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2C)CC1 ZINC000743942951 1077238100 /nfs/dbraw/zinc/23/81/00/1077238100.db2.gz OZPFCEUBWVPJKH-UHFFFAOYSA-N 1 0 402.495 2.128 20 0 HEADRO O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000743919745 1077240844 /nfs/dbraw/zinc/24/08/44/1077240844.db2.gz MVIRAUKYJYDQDQ-CYBMUJFWSA-N 1 0 401.854 2.214 20 0 HEADRO CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000743924421 1077248766 /nfs/dbraw/zinc/24/87/66/1077248766.db2.gz MXOXHIPWJAHWOO-UHFFFAOYSA-N 1 0 424.501 2.409 20 0 HEADRO CCc1ccc([C@H](COC)NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)o1 ZINC000743928361 1077252297 /nfs/dbraw/zinc/25/22/97/1077252297.db2.gz XELJHRJCFTUIEZ-SFHVURJKSA-N 1 0 414.506 2.036 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)Oc1cccc(F)c1 ZINC000743954563 1077261885 /nfs/dbraw/zinc/26/18/85/1077261885.db2.gz LYMBJPANUCEZCP-INIZCTEOSA-N 1 0 414.481 2.100 20 0 HEADRO Cc1cccc(F)c1CNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000743961921 1077269679 /nfs/dbraw/zinc/26/96/79/1077269679.db2.gz AYPYXPLYXOHZBB-UHFFFAOYSA-N 1 0 400.454 2.279 20 0 HEADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCSC2)cc1 ZINC000743970647 1077274428 /nfs/dbraw/zinc/27/44/28/1077274428.db2.gz JVASGTSBSBGVRL-GOSISDBHSA-N 1 0 418.563 2.451 20 0 HEADRO CN(C)C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000743972742 1077275279 /nfs/dbraw/zinc/27/52/79/1077275279.db2.gz VDGRQUVVRIYAFG-SFHVURJKSA-N 1 0 408.502 2.060 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCSC3)cc2Cl)CC1 ZINC000743972672 1077275465 /nfs/dbraw/zinc/27/54/65/1077275465.db2.gz KELAFMLKNZFAHV-OAHLLOKOSA-N 1 0 410.971 2.432 20 0 HEADRO O=C(Nc1cccc(COCC2CC2)c1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743947959 1077278001 /nfs/dbraw/zinc/27/80/01/1077278001.db2.gz ATTADYNEXGWDJH-OAQYLSRUSA-N 1 0 415.534 2.311 20 0 HEADRO CCc1nc2cc(NC(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)ccc2o1 ZINC000743947867 1077278259 /nfs/dbraw/zinc/27/82/59/1077278259.db2.gz UZRWMKYLJKBJTR-MRXNPFEDSA-N 1 0 400.479 2.088 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCOC4(CCCCC4)C3)cc2)CC1 ZINC000743949393 1077278767 /nfs/dbraw/zinc/27/87/67/1077278767.db2.gz KKCASTAPTQFYOB-UHFFFAOYSA-N 1 0 414.550 2.329 20 0 HEADRO COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000743952678 1077280418 /nfs/dbraw/zinc/28/04/18/1077280418.db2.gz UPQHKVPWQNHXTP-QGZVFWFLSA-N 1 0 415.534 2.410 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)C1 ZINC000743988614 1077281012 /nfs/dbraw/zinc/28/10/12/1077281012.db2.gz PVFWNDQQFSZHOI-MSOLQXFVSA-N 1 0 402.539 2.041 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)C1 ZINC000743987935 1077281049 /nfs/dbraw/zinc/28/10/49/1077281049.db2.gz BIEDWPOSDZDKKA-QZTJIDSGSA-N 1 0 402.539 2.041 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000743988519 1077281238 /nfs/dbraw/zinc/28/12/38/1077281238.db2.gz GRIALOYXKGGIEZ-CEXWTWQISA-N 1 0 416.566 2.429 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)C1 ZINC000743989607 1077282040 /nfs/dbraw/zinc/28/20/40/1077282040.db2.gz NIFZVSRKUQZOJK-AWEZNQCLSA-N 1 0 408.930 2.171 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3cccn3C)cc2Cl)CC1 ZINC000743998136 1077286863 /nfs/dbraw/zinc/28/68/63/1077286863.db2.gz PJRUEJQNVHWNJC-UHFFFAOYSA-N 1 0 417.941 2.465 20 0 HEADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@@H](O)c3ccccc3)cc2)CC1 ZINC000743976902 1077291260 /nfs/dbraw/zinc/29/12/60/1077291260.db2.gz BPCYPTWCBFDBLH-JOCHJYFZSA-N 1 0 424.545 2.003 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000743977973 1077292066 /nfs/dbraw/zinc/29/20/66/1077292066.db2.gz BTHLFFGPNGNYNU-QGZVFWFLSA-N 1 0 424.501 2.243 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[C@H](O)c3ccccc3)c(C)c2)CC1 ZINC000743978106 1077292090 /nfs/dbraw/zinc/29/20/90/1077292090.db2.gz WKFMWLMMHASCEE-QFIPXVFZSA-N 1 0 424.545 2.315 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000743978838 1077292428 /nfs/dbraw/zinc/29/24/28/1077292428.db2.gz PMOBCJHMIBLKAB-ZDUSSCGKSA-N 1 0 403.870 2.461 20 0 HEADRO Cc1cc(I)ccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000743978854 1077292517 /nfs/dbraw/zinc/29/25/17/1077292517.db2.gz QFERTTGPHZIQFE-LBPRGKRZSA-N 1 0 415.275 2.139 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000743981087 1077294064 /nfs/dbraw/zinc/29/40/64/1077294064.db2.gz IWTKEMWAGSOLQQ-CYBMUJFWSA-N 1 0 420.311 2.174 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000743980842 1077294154 /nfs/dbraw/zinc/29/41/54/1077294154.db2.gz MYYLPFBRNGVVGL-OAHLLOKOSA-N 1 0 420.469 2.026 20 0 HEADRO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000743982682 1077294372 /nfs/dbraw/zinc/29/43/72/1077294372.db2.gz XTVJVOOSXYIRKL-INIZCTEOSA-N 1 0 400.523 2.206 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000743983645 1077295470 /nfs/dbraw/zinc/29/54/70/1077295470.db2.gz XZCZCPQZRNCRIW-KURKYZTESA-N 1 0 414.550 2.344 20 0 HEADRO CCC(CC)(CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)SC ZINC000743984020 1077296195 /nfs/dbraw/zinc/29/61/95/1077296195.db2.gz MSEHOAMABWEKCZ-UHFFFAOYSA-N 1 0 406.596 2.411 20 0 HEADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)Nc3ccc(F)nc3)cc2)C[C@H](C)O1 ZINC000766304608 1077337018 /nfs/dbraw/zinc/33/70/18/1077337018.db2.gz UGGQTRDZKRILSG-GJZGRUSLSA-N 1 0 400.454 2.085 20 0 HEADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cccc2c1COC2=O ZINC000744252366 1077350270 /nfs/dbraw/zinc/35/02/70/1077350270.db2.gz USPAVJADCFKZHG-UHFFFAOYSA-N 1 0 410.442 2.388 20 0 HEADRO COCCOC[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000744417062 1077378332 /nfs/dbraw/zinc/37/83/32/1077378332.db2.gz LKIHHFFMWKQIED-CQSZACIVSA-N 1 0 409.552 2.039 20 0 HEADRO Cc1ccc(N2CCC[C@@H]([NH+]3CCC(CC(=O)N4CCN(C)CC4)CC3)C2=O)cc1 ZINC000744402277 1077380566 /nfs/dbraw/zinc/38/05/66/1077380566.db2.gz LUXZEDPIXBMYCW-JOCHJYFZSA-N 1 0 412.578 2.367 20 0 HEADRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000744409578 1077383235 /nfs/dbraw/zinc/38/32/35/1077383235.db2.gz UCBANGJBBZIPBU-MAUKXSAKSA-N 1 0 404.536 2.360 20 0 HEADRO CC(C)Cn1c(CCC(N)=O)nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1=S ZINC000744439840 1077395193 /nfs/dbraw/zinc/39/51/93/1077395193.db2.gz CUOHHEIEVFHNNR-SJORKVTESA-N 1 0 408.616 2.393 20 0 HEADRO C[C@H](OC(=O)C[C@](C)(O)C(F)(F)F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744647306 1077519583 /nfs/dbraw/zinc/51/95/83/1077519583.db2.gz LFRRQNLONOGHMX-JOQOYGCGSA-N 1 0 402.413 2.012 20 0 HEADRO Cc1c(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000744680159 1077540854 /nfs/dbraw/zinc/54/08/54/1077540854.db2.gz LCHYJIZCXSDZFH-UHFFFAOYSA-N 1 0 402.470 2.466 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)CC1 ZINC000744719469 1077553651 /nfs/dbraw/zinc/55/36/51/1077553651.db2.gz MMKLKLHFXRLFJN-KXBFYZLASA-N 1 0 401.507 2.427 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000744706384 1077561386 /nfs/dbraw/zinc/56/13/86/1077561386.db2.gz KXCYAVRSXPHOHG-UHFFFAOYSA-N 1 0 405.886 2.067 20 0 HEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000744757899 1077570794 /nfs/dbraw/zinc/57/07/94/1077570794.db2.gz CKWKYGJARSQBEJ-UHFFFAOYSA-N 1 0 414.955 2.461 20 0 HEADRO C[C@@H](OC(=O)c1cccnc1N(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000744737241 1077572613 /nfs/dbraw/zinc/57/26/13/1077572613.db2.gz NISWXFRSAJIYGY-QGZVFWFLSA-N 1 0 410.518 2.474 20 0 HEADRO COc1ccc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cc1OC(F)F ZINC000744765546 1077576204 /nfs/dbraw/zinc/57/62/04/1077576204.db2.gz XPZSBLAHHGNZAK-UHFFFAOYSA-N 1 0 400.422 2.442 20 0 HEADRO CCCC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744897024 1077640718 /nfs/dbraw/zinc/64/07/18/1077640718.db2.gz IRGBVZISSZVHBR-YZGWKJHDSA-N 1 0 415.534 2.100 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000744881743 1077650626 /nfs/dbraw/zinc/65/06/26/1077650626.db2.gz CPVSURKJWVRLEQ-QGZVFWFLSA-N 1 0 411.543 2.308 20 0 HEADRO COc1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1NC(=O)OC(C)(C)C ZINC000744908323 1077661289 /nfs/dbraw/zinc/66/12/89/1077661289.db2.gz VRCIDJHTGZBCDM-ZDUSSCGKSA-N 1 0 408.499 2.437 20 0 HEADRO C[C@H](OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)C(=O)N1CCNC1=O ZINC000744993644 1077698107 /nfs/dbraw/zinc/69/81/07/1077698107.db2.gz LSSDEXMVWPCEMX-HOTGVXAUSA-N 1 0 403.479 2.037 20 0 HEADRO C[C@@H](OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)C(=O)N1CCNC1=O ZINC000744993646 1077698173 /nfs/dbraw/zinc/69/81/73/1077698173.db2.gz LSSDEXMVWPCEMX-JKSUJKDBSA-N 1 0 403.479 2.037 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2csc(Nc3ccccn3)n2)CC1 ZINC000745064556 1077723578 /nfs/dbraw/zinc/72/35/78/1077723578.db2.gz VSUVLVJBBQVERB-UHFFFAOYSA-N 1 0 403.508 2.428 20 0 HEADRO O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000745152869 1077760094 /nfs/dbraw/zinc/76/00/94/1077760094.db2.gz AXCOWYRLMGGGLT-XMMPIXPASA-N 1 0 424.545 2.151 20 0 HEADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)CCNC(=O)CC(C)C)CC1 ZINC000745203784 1077774209 /nfs/dbraw/zinc/77/42/09/1077774209.db2.gz PVRQBCSRKSNHCO-UHFFFAOYSA-N 1 0 417.550 2.125 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2=O)cc1 ZINC000745314707 1077806359 /nfs/dbraw/zinc/80/63/59/1077806359.db2.gz BJUCOGIUTPSZCM-PMACEKPBSA-N 1 0 402.539 2.146 20 0 HEADRO COc1ccccc1[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1nccn1C ZINC000745401207 1077818324 /nfs/dbraw/zinc/81/83/24/1077818324.db2.gz QTFMWFFJVIUPAP-YLJYHZDGSA-N 1 0 415.538 2.270 20 0 HEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000745429479 1077824062 /nfs/dbraw/zinc/82/40/62/1077824062.db2.gz URBATDVOBXBXCX-FQEVSTJZSA-N 1 0 402.539 2.175 20 0 HEADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000771792340 1079509287 /nfs/dbraw/zinc/50/92/87/1079509287.db2.gz VHZLRBJJQNPHIG-AWEZNQCLSA-N 1 0 416.551 2.373 20 0 HEADRO CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000771794661 1079511472 /nfs/dbraw/zinc/51/14/72/1079511472.db2.gz HDOFDWCFOHLPMO-SFHVURJKSA-N 1 0 423.579 2.329 20 0 HEADRO CCN(CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)OC(C)(C)C ZINC000771766222 1079520196 /nfs/dbraw/zinc/52/01/96/1079520196.db2.gz SRQUPHOAMQMPGX-SFHVURJKSA-N 1 0 411.591 2.053 20 0 HEADRO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc(C(=O)OC)c1 ZINC000766961988 1079526564 /nfs/dbraw/zinc/52/65/64/1079526564.db2.gz ARAAPOUPJUJKEH-RBUKOAKNSA-N 1 0 401.463 2.081 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000766940738 1079528867 /nfs/dbraw/zinc/52/88/67/1079528867.db2.gz CDHRPKPNIMQXTH-HXUWFJFHSA-N 1 0 403.483 2.490 20 0 HEADRO CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000766943736 1079530390 /nfs/dbraw/zinc/53/03/90/1079530390.db2.gz CHBBPPGSIBDIPJ-PZJWPPBQSA-N 1 0 400.523 2.365 20 0 HEADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCCOc2ccc(S(C)(=O)=O)cc2)cn1 ZINC000766943711 1079530661 /nfs/dbraw/zinc/53/06/61/1079530661.db2.gz BRVVTWVQTUYKKK-YLJYHZDGSA-N 1 0 407.536 2.181 20 0 HEADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000766944035 1079532156 /nfs/dbraw/zinc/53/21/56/1079532156.db2.gz BAJRQRCJVHSJJQ-PWRODBHTSA-N 1 0 416.497 2.047 20 0 HEADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cn1 ZINC000766944031 1079532206 /nfs/dbraw/zinc/53/22/06/1079532206.db2.gz BAJRQRCJVHSJJQ-NJYVYQBISA-N 1 0 416.497 2.047 20 0 HEADRO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766943973 1079533134 /nfs/dbraw/zinc/53/31/34/1079533134.db2.gz AQMLEMSZDRLEDA-XUWXXGDYSA-N 1 0 403.458 2.184 20 0 HEADRO Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766945793 1079535728 /nfs/dbraw/zinc/53/57/28/1079535728.db2.gz JUKBTCRXSFGCNX-RBBKRZOGSA-N 1 0 414.550 2.462 20 0 HEADRO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000766949381 1079541564 /nfs/dbraw/zinc/54/15/64/1079541564.db2.gz JTSDPOMNIVPBCS-IFMALSPDSA-N 1 0 414.550 2.454 20 0 HEADRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000766948813 1079543411 /nfs/dbraw/zinc/54/34/11/1079543411.db2.gz WIPTYANPEGAVBV-KNBMTAEXSA-N 1 0 416.522 2.203 20 0 HEADRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766948815 1079543681 /nfs/dbraw/zinc/54/36/81/1079543681.db2.gz WIPTYANPEGAVBV-RIFZZMRRSA-N 1 0 416.522 2.203 20 0 HEADRO O=C1[C@@H](N2CC[NH+](CCCCO)CC2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000746484804 1079557335 /nfs/dbraw/zinc/55/73/35/1079557335.db2.gz YOYJOYGPYJDIME-KRWDZBQOSA-N 1 0 401.429 2.081 20 0 HEADRO CCC[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NC(C)C)CC[N@@H+]1CCOC ZINC000766973685 1079568592 /nfs/dbraw/zinc/56/85/92/1079568592.db2.gz MHLXWHWYBKOPDL-GOSISDBHSA-N 1 0 404.555 2.196 20 0 HEADRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000771918465 1079570522 /nfs/dbraw/zinc/57/05/22/1079570522.db2.gz IYFFRYFMZKTEDO-MSOLQXFVSA-N 1 0 411.591 2.053 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C(C)(C)C(C)(C)O)C[C@H]1C(=O)N1CCSC1 ZINC001170035108 1079572987 /nfs/dbraw/zinc/57/29/87/1079572987.db2.gz MOIYJEWGLVTVGN-KGLIPLIRSA-N 1 0 401.573 2.036 20 0 HEADRO C=C1c2ccccc2C(=O)N1CC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000804345821 1079585672 /nfs/dbraw/zinc/58/56/72/1079585672.db2.gz RRHHNBMMINDWDC-UHFFFAOYSA-N 1 0 418.541 2.389 20 0 HEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)CNC(=O)OCc1ccccc1 ZINC000804345624 1079586319 /nfs/dbraw/zinc/58/63/19/1079586319.db2.gz PSPQOLADNFTAKK-UHFFFAOYSA-N 1 0 424.545 2.189 20 0 HEADRO C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1nc2ccccc2s1 ZINC000767018626 1079590899 /nfs/dbraw/zinc/59/08/99/1079590899.db2.gz NMRVJIGVWKCRSL-HOCLYGCPSA-N 1 0 401.536 2.305 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000767018641 1079591078 /nfs/dbraw/zinc/59/10/78/1079591078.db2.gz OAZOTQXMHRFVPI-OAQYLSRUSA-N 1 0 404.530 2.296 20 0 HEADRO CC[NH+](CC)CCOc1cc(N2C(=O)N[C@@H](Cc3ccncc3)C2=O)ccc1OC ZINC000771951545 1079599466 /nfs/dbraw/zinc/59/94/66/1079599466.db2.gz JQOXYGZTNZBGSZ-SFHVURJKSA-N 1 0 412.490 2.478 20 0 HEADRO O=C1C[C@@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)CN1CCN1CCOCC1 ZINC000771957049 1079603523 /nfs/dbraw/zinc/60/35/23/1079603523.db2.gz GEPXPWXQRJYLNW-OAHLLOKOSA-N 1 0 403.470 2.321 20 0 HEADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2cnc3ccc(C)cn23)CC1 ZINC000771957986 1079604343 /nfs/dbraw/zinc/60/43/43/1079604343.db2.gz BCDADUBODFEXIS-UHFFFAOYSA-N 1 0 401.511 2.250 20 0 HEADRO Cn1ccc([C@@H]2NC(=O)N(c3ccc(NC(=O)C[NH+]4CCCCCCC4)cc3)C2=O)n1 ZINC000771966927 1079613638 /nfs/dbraw/zinc/61/36/38/1079613638.db2.gz RKXUQZWYPAWOJC-FQEVSTJZSA-N 1 0 424.505 2.422 20 0 HEADRO Cc1ccc(NS(=O)(=O)c2cccc3c2COC3=O)cc1NC(=O)CC[NH+](C)C ZINC000767042720 1079627089 /nfs/dbraw/zinc/62/70/89/1079627089.db2.gz AXSUQYXDZQUFPT-UHFFFAOYSA-N 1 0 417.487 2.356 20 0 HEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)[C@@H](C)C1 ZINC000771987847 1079633488 /nfs/dbraw/zinc/63/34/88/1079633488.db2.gz IIHYGFUGQMJBFO-YSIASYRMSA-N 1 0 421.586 2.012 20 0 HEADRO Cn1ccnc1[C@H](O)C1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000772004937 1079645686 /nfs/dbraw/zinc/64/56/86/1079645686.db2.gz NFMWCRCTANWMKO-LJQANCHMSA-N 1 0 403.502 2.146 20 0 HEADRO C[C@@H]1C[NH+](CCCNC(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000772045198 1079666997 /nfs/dbraw/zinc/66/69/97/1079666997.db2.gz XCUQZFLNEINNEJ-BRWVUGGUSA-N 1 0 415.600 2.345 20 0 HEADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000767082165 1079668335 /nfs/dbraw/zinc/66/83/35/1079668335.db2.gz XTAZBAGETLZNGI-UONOGXRCSA-N 1 0 423.760 2.385 20 0 HEADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000767082166 1079668405 /nfs/dbraw/zinc/66/84/05/1079668405.db2.gz XTAZBAGETLZNGI-ZIAGYGMSSA-N 1 0 423.760 2.385 20 0 HEADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000772049380 1079670655 /nfs/dbraw/zinc/67/06/55/1079670655.db2.gz HRJJDPDJUXCDMD-UHFFFAOYSA-N 1 0 411.550 2.188 20 0 HEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000767124712 1079691197 /nfs/dbraw/zinc/69/11/97/1079691197.db2.gz JKAASZCMANFOQQ-BETUJISGSA-N 1 0 408.442 2.348 20 0 HEADRO C[N@@H+]1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)C(C)(C)C1 ZINC000767128724 1079694082 /nfs/dbraw/zinc/69/40/82/1079694082.db2.gz MXGVIZDVHANRES-UHFFFAOYSA-N 1 0 412.515 2.414 20 0 HEADRO C[NH+]1CCN(c2cccc(C(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000767170507 1079705951 /nfs/dbraw/zinc/70/59/51/1079705951.db2.gz LTDJBVBMUDIIFI-QGZVFWFLSA-N 1 0 408.424 2.316 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170038169 1079709849 /nfs/dbraw/zinc/70/98/49/1079709849.db2.gz LCWPBSREEQXOEA-SJORKVTESA-N 1 0 406.552 2.424 20 0 HEADRO Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H](C)C[NH+]3CCOCC3)C2=O)cc1 ZINC000767177848 1079710980 /nfs/dbraw/zinc/71/09/80/1079710980.db2.gz DGQWUBCMMCMJQD-OKSBFYSISA-N 1 0 417.531 2.116 20 0 HEADRO CC[C@]1(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000772127025 1079720489 /nfs/dbraw/zinc/72/04/89/1079720489.db2.gz WPWUOWOYAMBRAB-JOCHJYFZSA-N 1 0 423.554 2.452 20 0 HEADRO O=C(CCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000767229095 1079752124 /nfs/dbraw/zinc/75/21/24/1079752124.db2.gz GEAKHDBBANPZJE-HXUWFJFHSA-N 1 0 402.516 2.314 20 0 HEADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000772200368 1079760066 /nfs/dbraw/zinc/76/00/66/1079760066.db2.gz ZKLDWEPMFSFVJK-FUHWJXTLSA-N 1 0 417.554 2.351 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000772270758 1079773041 /nfs/dbraw/zinc/77/30/41/1079773041.db2.gz WBRSFMZLGAZJMC-UGKGYDQZSA-N 1 0 422.529 2.271 20 0 HEADRO CCn1c(=O)c2ccccc2n(CC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1=O ZINC000746533744 1079791934 /nfs/dbraw/zinc/79/19/34/1079791934.db2.gz NQURVXWTJZFHTB-GOSISDBHSA-N 1 0 422.529 2.210 20 0 HEADRO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCC(=O)OCc2ccccc2)[C@H]1c1ccccc1 ZINC000767301261 1079800893 /nfs/dbraw/zinc/80/08/93/1079800893.db2.gz IRUXUZBLCUCQMO-TZIWHRDSSA-N 1 0 402.516 2.485 20 0 HEADRO CCc1nn(C)c(Cl)c1C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000767321667 1079817807 /nfs/dbraw/zinc/81/78/07/1079817807.db2.gz OAGMJFZHZDGNFY-UHFFFAOYSA-N 1 0 411.978 2.192 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000772343119 1079832511 /nfs/dbraw/zinc/83/25/11/1079832511.db2.gz GUZCHNSXTAHGPV-MSOLQXFVSA-N 1 0 411.591 2.101 20 0 HEADRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772343799 1079833557 /nfs/dbraw/zinc/83/35/57/1079833557.db2.gz GZNVFBVHGUOQND-QGZVFWFLSA-N 1 0 410.518 2.379 20 0 HEADRO CC(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CCO1 ZINC000772344218 1079834099 /nfs/dbraw/zinc/83/40/99/1079834099.db2.gz JTLZBRBZNHOOQS-AZUAARDMSA-N 1 0 402.539 2.087 20 0 HEADRO CC(C)[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CCO1 ZINC000772346824 1079834979 /nfs/dbraw/zinc/83/49/79/1079834979.db2.gz RHPGGWZUMXBODE-NQIIRXRSSA-N 1 0 416.566 2.475 20 0 HEADRO C[C@H](CCNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1 ZINC000746537667 1079862166 /nfs/dbraw/zinc/86/21/66/1079862166.db2.gz ZRZQQRPZXVMUEJ-DYESRHJHSA-N 1 0 407.518 2.133 20 0 HEADRO NC(=O)c1cc(OC2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000772419864 1079866267 /nfs/dbraw/zinc/86/62/67/1079866267.db2.gz BPLQLFBDPBOEML-SFHVURJKSA-N 1 0 423.517 2.008 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)C[C@H]1C(=O)N1CCSC1 ZINC001170042996 1079873080 /nfs/dbraw/zinc/87/30/80/1079873080.db2.gz LWWTVTDHKJKJEV-DLTWYDFYSA-N 1 0 409.552 2.093 20 0 HEADRO COC[C@H]1CCCC[N@@H+]1[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170043650 1079890136 /nfs/dbraw/zinc/89/01/36/1079890136.db2.gz OCZCQCJTORELGT-IKGGRYGDSA-N 1 0 413.584 2.398 20 0 HEADRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000772528117 1079914191 /nfs/dbraw/zinc/91/41/91/1079914191.db2.gz FDQDZTLOFQJLHK-RWQQGDIJSA-N 1 0 424.586 2.404 20 0 HEADRO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000772619338 1079982487 /nfs/dbraw/zinc/98/24/87/1079982487.db2.gz RRPMBAMDFNGZHU-LEWJYISDSA-N 1 0 412.538 2.329 20 0 HEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772633497 1079993923 /nfs/dbraw/zinc/99/39/23/1079993923.db2.gz QDIWHCQDZISFGL-IAGOWNOFSA-N 1 0 414.333 2.358 20 0 HEADRO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000767595950 1079995489 /nfs/dbraw/zinc/99/54/89/1079995489.db2.gz JMLJCDVQMCRMNH-LJQANCHMSA-N 1 0 420.554 2.302 20 0 HEADRO CCOc1cc2c(cc1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)O[C@@H](C)C2 ZINC000785497861 1080020639 /nfs/dbraw/zinc/02/06/39/1080020639.db2.gz AWDCLRAIPXTHRD-CVEARBPZSA-N 1 0 403.523 2.016 20 0 HEADRO Cc1ccc(CCCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000785506466 1080026789 /nfs/dbraw/zinc/02/67/89/1080026789.db2.gz RPKSUXPEYJXSME-OAQYLSRUSA-N 1 0 401.551 2.112 20 0 HEADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000785519007 1080031933 /nfs/dbraw/zinc/03/19/33/1080031933.db2.gz ZHEVZWRISMWZGP-QZTJIDSGSA-N 1 0 424.586 2.130 20 0 HEADRO CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000785520378 1080034009 /nfs/dbraw/zinc/03/40/09/1080034009.db2.gz MGJMTPKUZCSKNX-ZWKOTPCHSA-N 1 0 424.586 2.129 20 0 HEADRO COc1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1N ZINC000767711390 1080045305 /nfs/dbraw/zinc/04/53/05/1080045305.db2.gz LACBVENUDDFATL-GDBMZVCRSA-N 1 0 415.465 2.353 20 0 HEADRO O=C(NCCc1ccc(Cl)nc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000785538006 1080046830 /nfs/dbraw/zinc/04/68/30/1080046830.db2.gz ACRQZOWXGVVTMG-UHFFFAOYSA-N 1 0 400.910 2.306 20 0 HEADRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 ZINC000785560266 1080057878 /nfs/dbraw/zinc/05/78/78/1080057878.db2.gz HJHAIVVMHLWHKZ-FQEVSTJZSA-N 1 0 417.550 2.337 20 0 HEADRO Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767737633 1080058818 /nfs/dbraw/zinc/05/88/18/1080058818.db2.gz ULYQBDTWRFYNMN-FQEVSTJZSA-N 1 0 407.511 2.361 20 0 HEADRO COc1cc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc(Cl)c1OCC(N)=O ZINC000785582164 1080059740 /nfs/dbraw/zinc/05/97/40/1080059740.db2.gz TVWAKBRKDNEFCD-WLRWDXFRSA-N 1 0 422.865 2.153 20 0 HEADRO C[C@]1(CNC(=O)C(=O)NCc2cn3ccsc3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000785583831 1080060555 /nfs/dbraw/zinc/06/05/55/1080060555.db2.gz LUDSCJVBGMFCEE-OAQYLSRUSA-N 1 0 411.531 2.040 20 0 HEADRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](c3nccn3C)C2)cc1 ZINC000785560547 1080077478 /nfs/dbraw/zinc/07/74/78/1080077478.db2.gz IVKJZWFLHCNHAH-FQEVSTJZSA-N 1 0 411.550 2.284 20 0 HEADRO OCCCC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000746487822 1080085282 /nfs/dbraw/zinc/08/52/82/1080085282.db2.gz MOEAMSYSNXXCEK-OAHLLOKOSA-N 1 0 421.763 2.232 20 0 HEADRO COc1ccc(COCC[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 ZINC000767753302 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O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCCc1cnn(-c2ccccc2)c1 ZINC000786887126 1080887096 /nfs/dbraw/zinc/88/70/96/1080887096.db2.gz DSEQMGWKNLUVGB-NRFANRHFSA-N 1 0 410.518 2.481 20 0 HEADRO CCOC(CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC ZINC000786971367 1080895939 /nfs/dbraw/zinc/89/59/39/1080895939.db2.gz VEKLTLDRPZVROC-INIZCTEOSA-N 1 0 400.541 2.147 20 0 HEADRO CN(CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)C(=O)OC(C)(C)C ZINC000769096842 1080905916 /nfs/dbraw/zinc/90/59/16/1080905916.db2.gz HHUJFVBMGNKHGV-MOPGFXCFSA-N 1 0 420.554 2.036 20 0 HEADRO C[N@H+](CCOC(=O)CNS(=O)(=O)/C=C/c1ccccc1)Cc1ccc(F)cc1 ZINC000769059533 1080915816 /nfs/dbraw/zinc/91/58/16/1080915816.db2.gz AIMJDGWQCGGPIN-SDNWHVSQSA-N 1 0 406.479 2.391 20 0 HEADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC[N@H+](C)Cc1ccc(F)cc1)C2=O ZINC000769064821 1080920450 /nfs/dbraw/zinc/92/04/50/1080920450.db2.gz NAZPGCQVYLPAPH-QVKFZJNVSA-N 1 0 405.470 2.301 20 0 HEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000769120632 1080941792 /nfs/dbraw/zinc/94/17/92/1080941792.db2.gz CWGSDRDJBAPHPI-HDICACEKSA-N 1 0 410.603 2.460 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000787035754 1080958767 /nfs/dbraw/zinc/95/87/67/1080958767.db2.gz NUNXCMIBOUJNAP-INIZCTEOSA-N 1 0 402.495 2.038 20 0 HEADRO CCNC(=O)COc1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1OC ZINC000769192916 1080966519 /nfs/dbraw/zinc/96/65/19/1080966519.db2.gz VUWDKACDKPAECK-IBGZPJMESA-N 1 0 406.523 2.370 20 0 HEADRO CCn1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1C ZINC000769193292 1080968634 /nfs/dbraw/zinc/96/86/34/1080968634.db2.gz VRXVDFBRRIOCKM-KRWDZBQOSA-N 1 0 407.559 2.373 20 0 HEADRO CN(C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1)C(=O)OC(C)(C)C ZINC000769149679 1080969377 /nfs/dbraw/zinc/96/93/77/1080969377.db2.gz GFTPATYQVICLGQ-UHOSZYNNSA-N 1 0 424.586 2.263 20 0 HEADRO CCCOc1nc(Cl)nc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)n1 ZINC001170067010 1080969749 /nfs/dbraw/zinc/96/97/49/1080969749.db2.gz PUBAGTWBGOVCCJ-UHFFFAOYSA-N 1 0 422.898 2.016 20 0 HEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000769152419 1080971588 /nfs/dbraw/zinc/97/15/88/1080971588.db2.gz FOAFRRXPKGLXST-FGTMMUONSA-N 1 0 410.559 2.015 20 0 HEADRO CC(C)Oc1cccc([C@H](O)CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000769157458 1080975871 /nfs/dbraw/zinc/97/58/71/1080975871.db2.gz VKNCTZMAUCBUIH-QHAWAJNXSA-N 1 0 405.539 2.184 20 0 HEADRO CN(C[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)OC(C)(C)C ZINC000769157093 1080976530 /nfs/dbraw/zinc/97/65/30/1080976530.db2.gz TUTNSOOXEGQXBE-GBESFXJTSA-N 1 0 424.586 2.405 20 0 HEADRO O=C(NCc1cccc(N2CCOC2=O)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000769164506 1080982018 /nfs/dbraw/zinc/98/20/18/1080982018.db2.gz AZOGYEVSSYLUIG-WOJBJXKFSA-N 1 0 416.522 2.210 20 0 HEADRO CC(C)COC(=O)N1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000769167135 1080984682 /nfs/dbraw/zinc/98/46/82/1080984682.db2.gz QEROZCPGTGGSPJ-UXHICEINSA-N 1 0 424.586 2.264 20 0 HEADRO C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000787092582 1080993874 /nfs/dbraw/zinc/99/38/74/1080993874.db2.gz PMYPGPADYPIWIX-BOCKYXSRSA-N 1 0 417.550 2.385 20 0 HEADRO O=C(COC(=O)Cc1ccccc1CO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000787064810 1081003387 /nfs/dbraw/zinc/00/33/87/1081003387.db2.gz NNTBKXWWVDDSSH-UHFFFAOYSA-N 1 0 414.527 2.452 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000787113591 1081005867 /nfs/dbraw/zinc/00/58/67/1081005867.db2.gz HPQDREJNTUOJFT-FQEVSTJZSA-N 1 0 403.498 2.076 20 0 HEADRO CC(C)COc1cccc(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000787113601 1081005879 /nfs/dbraw/zinc/00/58/79/1081005879.db2.gz HVIGUSPCURFYRE-NRFANRHFSA-N 1 0 417.550 2.097 20 0 HEADRO CCOc1cccc([C@@H](C)NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000787117670 1081006941 /nfs/dbraw/zinc/00/69/41/1081006941.db2.gz RYGJGPKKDVQTIW-UZLBHIALSA-N 1 0 403.523 2.022 20 0 HEADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000769222497 1081007058 /nfs/dbraw/zinc/00/70/58/1081007058.db2.gz MJRGCRNBOQLMTL-UHFFFAOYSA-N 1 0 419.551 2.082 20 0 HEADRO Cn1ncc2c1nc(CCC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[nH]c2=O ZINC000746635775 1081008270 /nfs/dbraw/zinc/00/82/70/1081008270.db2.gz KCMYRDVEZGGZLD-OAHLLOKOSA-N 1 0 402.886 2.074 20 0 HEADRO O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787119983 1081009347 /nfs/dbraw/zinc/00/93/47/1081009347.db2.gz AOMIIIBVRVHWLG-BVSLBCMMSA-N 1 0 413.562 2.274 20 0 HEADRO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787121264 1081009522 /nfs/dbraw/zinc/00/95/22/1081009522.db2.gz DXDMLBYBFXBINU-TYCQWZJGSA-N 1 0 417.525 2.495 20 0 HEADRO CS(=O)(=O)c1cccnc1CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787095906 1081010641 /nfs/dbraw/zinc/01/06/41/1081010641.db2.gz GFDUDMLYRQWBNH-UHFFFAOYSA-N 1 0 408.568 2.329 20 0 HEADRO O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787099508 1081012216 /nfs/dbraw/zinc/01/22/16/1081012216.db2.gz ACMFTNXMIWDRRK-UIFIKXQLSA-N 1 0 417.525 2.338 20 0 HEADRO CCCOc1ccc(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000787104208 1081015238 /nfs/dbraw/zinc/01/52/38/1081015238.db2.gz IPDOBZKBQXKOLK-OAQYLSRUSA-N 1 0 417.550 2.160 20 0 HEADRO Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1Br ZINC000769250209 1081016655 /nfs/dbraw/zinc/01/66/55/1081016655.db2.gz AWXDNHMVUOOCMW-OAHLLOKOSA-N 1 0 424.339 2.456 20 0 HEADRO O=C(NCCCCCc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787130412 1081019070 /nfs/dbraw/zinc/01/90/70/1081019070.db2.gz NAAKTCVKJQUHJS-OAQYLSRUSA-N 1 0 401.551 2.275 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)C1 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C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3CSCCS3)cc2)C1 ZINC000787160334 1081038808 /nfs/dbraw/zinc/03/88/08/1081038808.db2.gz WJFYPUUJTZPYNT-APWZRJJASA-N 1 0 421.632 2.500 20 0 HEADRO CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000769316086 1081039932 /nfs/dbraw/zinc/03/99/32/1081039932.db2.gz NBHQSBANCZVJDW-RTBURBONSA-N 1 0 412.527 2.117 20 0 HEADRO Cn1cc(C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cccnc2)n1 ZINC000769335675 1081046685 /nfs/dbraw/zinc/04/66/85/1081046685.db2.gz WMJQWVRZCQSFJT-UHFFFAOYSA-N 1 0 414.554 2.467 20 0 HEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(OCc3ccccn3)c2)C1 ZINC000787180795 1081047453 /nfs/dbraw/zinc/04/74/53/1081047453.db2.gz XDRAVLIJXDHFRP-QUCCMNQESA-N 1 0 410.518 2.266 20 0 HEADRO COCOc1ccc(OC)cc1C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000769337844 1081047553 /nfs/dbraw/zinc/04/75/53/1081047553.db2.gz KOCGYXFFOOPYIF-UHFFFAOYSA-N 1 0 405.539 2.054 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 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O=C1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)CC2(CC[NH2+]CC2)N1 ZINC001164392689 718809883 /nfs/dbraw/zinc/80/98/83/718809883.db2.gz NUFCIIDQRJCJDG-UHFFFAOYSA-N 1 0 407.852 2.400 20 0 HEADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164408775 718851712 /nfs/dbraw/zinc/85/17/12/718851712.db2.gz SYUQFKLBTZCGIQ-RFAUZJTJSA-N 1 0 405.232 2.379 20 0 HEADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415989 718885160 /nfs/dbraw/zinc/88/51/60/718885160.db2.gz PHLBMCIDICIOAC-UHFFFAOYSA-N 1 0 421.839 2.398 20 0 HEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164617873 719016330 /nfs/dbraw/zinc/01/63/30/719016330.db2.gz QGKLLWIOXACOJX-ONERCXAPSA-N 1 0 412.824 2.438 20 0 HEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164614843 719019053 /nfs/dbraw/zinc/01/90/53/719019053.db2.gz GQJYQLMWUVNHBJ-DRZSPHRISA-N 1 0 418.828 2.102 20 0 HEADRO 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COCCOc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nn1 ZINC001164840088 720611396 /nfs/dbraw/zinc/61/13/96/720611396.db2.gz OZEDBATYYBNUIK-GUDVDZBRSA-N 1 0 400.527 2.076 20 0 HEADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccnc(-n4ccccc4=O)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836284 720615731 /nfs/dbraw/zinc/61/57/31/720615731.db2.gz FPOBJXRWMIUQRD-HSALFYBXSA-N 1 0 419.533 2.202 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccnc(-n4ccccc4=O)n3)CC[C@@H]21 ZINC001164836286 720616554 /nfs/dbraw/zinc/61/65/54/720616554.db2.gz FPOBJXRWMIUQRD-UFYCRDLUSA-N 1 0 419.533 2.202 20 0 HEADRO Clc1cc(-c2ccncc2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164738145 720635552 /nfs/dbraw/zinc/63/55/52/720635552.db2.gz ALACVPUNYCEAFG-HZPDHXFCSA-N 1 0 409.881 2.324 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3NC(=O)CS4)CC[C@@H]21 ZINC001164837548 720644738 /nfs/dbraw/zinc/64/47/38/720644738.db2.gz CVEVNWZAIGECGL-PMPSAXMXSA-N 1 0 413.551 2.095 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cnc1C(N)=O)CC2 ZINC001164844946 720680953 /nfs/dbraw/zinc/68/09/53/720680953.db2.gz WUVLBAGLKVTWIZ-MRXNPFEDSA-N 1 0 415.925 2.489 20 0 HEADRO c1ccc(COc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164742550 720693775 /nfs/dbraw/zinc/69/37/75/720693775.db2.gz VNRJUPPLXDKLMN-MOPGFXCFSA-N 1 0 404.474 2.188 20 0 HEADRO Clc1ccc(CN2CCCC2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741396 720714220 /nfs/dbraw/zinc/71/42/20/720714220.db2.gz SXAKCBBYLFQFNK-QZTJIDSGSA-N 1 0 414.941 2.463 20 0 HEADRO c1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(N3CCCC3)nc2c1 ZINC001164745876 720754442 /nfs/dbraw/zinc/75/44/42/720754442.db2.gz WBTTWPRRFLAEFD-ZWKOTPCHSA-N 1 0 417.517 2.362 20 0 HEADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2)C1 ZINC001164744176 720758925 /nfs/dbraw/zinc/75/89/25/720758925.db2.gz RJPCPALNXHMETL-RLLQIKCJSA-N 1 0 422.533 2.086 20 0 HEADRO Cc1nc(-c2ccccn2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C ZINC001164749910 720785730 /nfs/dbraw/zinc/78/57/30/720785730.db2.gz USRBTRMVZNLIEO-ZWKOTPCHSA-N 1 0 403.490 2.287 20 0 HEADRO Cc1cc(OCc2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164744065 720797131 /nfs/dbraw/zinc/79/71/31/720797131.db2.gz HFJPVTIRUYDZQX-WOJBJXKFSA-N 1 0 418.501 2.496 20 0 HEADRO c1cc(-c2nc(C3CC3)no2)cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742734 720797814 /nfs/dbraw/zinc/79/78/14/720797814.db2.gz DEOCLMJUJIMRQV-IAGOWNOFSA-N 1 0 405.462 2.141 20 0 HEADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747370 720812824 /nfs/dbraw/zinc/81/28/24/720812824.db2.gz NRGNEKMYKXTETP-HSALFYBXSA-N 1 0 410.522 2.229 20 0 HEADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738758 720826560 /nfs/dbraw/zinc/82/65/60/720826560.db2.gz GGABAKWKGNSCQM-HSALFYBXSA-N 1 0 424.549 2.456 20 0 HEADRO Cc1nc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2n1C ZINC001164737336 720829192 /nfs/dbraw/zinc/82/91/92/720829192.db2.gz ADGNFTPWQZDUMK-CMKODMSKSA-N 1 0 406.538 2.248 20 0 HEADRO CN(C)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746766 720831244 /nfs/dbraw/zinc/83/12/44/720831244.db2.gz ZCPXWJLKWSNPHI-BRWVUGGUSA-N 1 0 416.961 2.167 20 0 HEADRO COC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1C ZINC001164741323 720834658 /nfs/dbraw/zinc/83/46/58/720834658.db2.gz FAJJANCIACHVAL-NLWGTHIKSA-N 1 0 410.522 2.148 20 0 HEADRO CC(=O)Nc1c(C)ccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748908 720842887 /nfs/dbraw/zinc/84/28/87/720842887.db2.gz VCNHIIXDXALOMD-VAMGGRTRSA-N 1 0 409.538 2.319 20 0 HEADRO CCCNC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739529 720847270 /nfs/dbraw/zinc/84/72/70/720847270.db2.gz AYZZDZQDWLHARP-SVFBPWRDSA-N 1 0 423.565 2.192 20 0 HEADRO Cc1noc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)n1 ZINC001164751045 720849849 /nfs/dbraw/zinc/84/98/49/720849849.db2.gz XYUDNTSYFZPAIX-XUVXKRRUSA-N 1 0 420.521 2.411 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(OC)cccc43)CC[C@H]2C1 ZINC001164854921 720854347 /nfs/dbraw/zinc/85/43/47/720854347.db2.gz LMMPPEXTMBNWDG-WMLDXEAASA-N 1 0 406.914 2.465 20 0 HEADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4nccnc4OC4CCC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748119 720855214 /nfs/dbraw/zinc/85/52/14/720855214.db2.gz KHCGFZPQJFIGRV-WSTZPKSXSA-N 1 0 409.538 2.379 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)CC[C@@H]2C1 ZINC001164858163 720860966 /nfs/dbraw/zinc/86/09/66/720860966.db2.gz RKCZBVGCFKYXTP-NVXWUHKLSA-N 1 0 424.973 2.437 20 0 HEADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4nc3N3CCCC3)CC[C@@H]2C1 ZINC001164859281 720872843 /nfs/dbraw/zinc/87/28/43/720872843.db2.gz MLJRWNLJIZEHES-NQIIRXRSSA-N 1 0 411.550 2.404 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4nc3N3CCCC3)CC[C@H]2C1 ZINC001164859279 720872954 /nfs/dbraw/zinc/87/29/54/720872954.db2.gz MLJRWNLJIZEHES-GHTZIAJQSA-N 1 0 411.550 2.404 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc([C@H](CC(=O)OC)C4CC4)ccn3)CC[C@H]2C1 ZINC001164864987 720872989 /nfs/dbraw/zinc/87/29/89/720872989.db2.gz XQDFTNBIFMYNKW-PWRODBHTSA-N 1 0 417.550 2.312 20 0 HEADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(-c4nc(C(C)C)no4)ccn3)CC[C@H]2C1 ZINC001164855646 720883424 /nfs/dbraw/zinc/88/34/24/720883424.db2.gz HMZSSIUFZHBZHF-ROUUACIJSA-N 1 0 401.511 2.429 20 0 HEADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4c(cc(OC)cc4OC)n3)CC[C@@H]2C1 ZINC001164864401 720887598 /nfs/dbraw/zinc/88/75/98/720887598.db2.gz VRAYGXZGOZQSPB-IERDGZPVSA-N 1 0 401.507 2.426 20 0 HEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001164750722 720947535 /nfs/dbraw/zinc/94/75/35/720947535.db2.gz MWSJHHSZTNMVIL-UHFFFAOYSA-N 1 0 417.819 2.261 20 0 HEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164749552 720953825 /nfs/dbraw/zinc/95/38/25/720953825.db2.gz HQDQVIQQJVSGJB-UHFFFAOYSA-N 1 0 400.870 2.125 20 0 HEADRO CSc1nc2ccccc2c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164749451 720956643 /nfs/dbraw/zinc/95/66/43/720956643.db2.gz DYTYTPAEIHIZLU-UHFFFAOYSA-N 1 0 412.519 2.194 20 0 HEADRO Cc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc(-c2cccs2)n1 ZINC001164754174 720965102 /nfs/dbraw/zinc/96/51/02/720965102.db2.gz ODJRSOYKDFWRQN-UHFFFAOYSA-N 1 0 412.519 2.356 20 0 HEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccnc1Oc1ccccc1)CC2 ZINC001164754185 720967424 /nfs/dbraw/zinc/96/74/24/720967424.db2.gz OKNVPGWUZNGGPH-UHFFFAOYSA-N 1 0 408.462 2.111 20 0 HEADRO COc1cc2ccnc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c2cc1F ZINC001164753350 720968268 /nfs/dbraw/zinc/96/82/68/720968268.db2.gz CQDGGWPZOGIYTN-UHFFFAOYSA-N 1 0 413.453 2.225 20 0 HEADRO CCNC(=O)c1cc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863727 721024439 /nfs/dbraw/zinc/02/44/39/721024439.db2.gz UTHKNHBXFKBMMW-ZDUSSCGKSA-N 1 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COc1cc2ncnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OC ZINC001164772648 721091752 /nfs/dbraw/zinc/09/17/52/721091752.db2.gz VJHNURRRXLHWPN-SJORKVTESA-N 1 0 408.506 2.339 20 0 HEADRO CC(C)(C)NC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865127 721118083 /nfs/dbraw/zinc/11/80/83/721118083.db2.gz INOSHPPSDDGGIP-UXHICEINSA-N 1 0 409.534 2.485 20 0 HEADRO CCOC(=O)c1cnc(C2CC2)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762153 721132368 /nfs/dbraw/zinc/13/23/68/721132368.db2.gz CGJKPYZWDKYYMI-ROUUACIJSA-N 1 0 410.522 2.223 20 0 HEADRO CCOC(=O)c1ccc2ncnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762713 721133755 /nfs/dbraw/zinc/13/37/55/721133755.db2.gz DHXQXOZHRDYTGF-RTBURBONSA-N 1 0 420.517 2.498 20 0 HEADRO NC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164881102 721158503 /nfs/dbraw/zinc/15/85/03/721158503.db2.gz ZBKODKYJMQRKCA-MOPGFXCFSA-N 1 0 403.486 2.208 20 0 HEADRO CCOC(=O)c1cc2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)[nH]c-2n1 ZINC001164764029 721167511 /nfs/dbraw/zinc/16/75/11/721167511.db2.gz GCKFFUAKZPLBBE-MSOLQXFVSA-N 1 0 408.506 2.431 20 0 HEADRO COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164764249 721183094 /nfs/dbraw/zinc/18/30/94/721183094.db2.gz GRAGLJAVOGTMCE-KGLIPLIRSA-N 1 0 412.872 2.375 20 0 HEADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164870560 721200605 /nfs/dbraw/zinc/20/06/05/721200605.db2.gz VQQCOMCLUFEYQZ-UHFFFAOYSA-N 1 0 419.533 2.161 20 0 HEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)COc4cncc(Cl)n4)C[C@H]3C2)cn1 ZINC001164767839 721208599 /nfs/dbraw/zinc/20/85/99/721208599.db2.gz KSRQPXASXNJRRT-HUUCEWRRSA-N 1 0 412.872 2.289 20 0 HEADRO Cc1cccc(N2CCC[C@]3(C2)CN(c2ccc(N4CC[NH+](C)CC4)nn2)CCO3)c1 ZINC001164775140 721303790 /nfs/dbraw/zinc/30/37/90/721303790.db2.gz QYNVCIBNVQLEBN-DEOSSOPVSA-N 1 0 422.577 2.413 20 0 HEADRO Cc1cccc(N(c2ccnc(N3CCN(C)CC3)n2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777026 721329614 /nfs/dbraw/zinc/32/96/14/721329614.db2.gz KLMRWLGVKRPGQD-NFBKMPQASA-N 1 0 408.550 2.196 20 0 HEADRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1N1CCCC1 ZINC001164887202 721378566 /nfs/dbraw/zinc/37/85/66/721378566.db2.gz HIBXTJDVMFVVCB-NFBKMPQASA-N 1 0 414.598 2.151 20 0 HEADRO COc1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1NC(C)C ZINC001164888534 721378927 /nfs/dbraw/zinc/37/89/27/721378927.db2.gz JZGOSPVYFFVWRL-AVRDEDQJSA-N 1 0 418.586 2.071 20 0 HEADRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1NC1CC1 ZINC001164890869 721379225 /nfs/dbraw/zinc/37/92/25/721379225.db2.gz OSJHMCGSHFKGJW-DENIHFKCSA-N 1 0 400.571 2.125 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nn4)C3)O2)CC1 ZINC001164889258 721392356 /nfs/dbraw/zinc/39/23/56/721392356.db2.gz LJMJHUCJBZKOFM-CRAIPNDOSA-N 1 0 415.916 2.440 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5cccnc54)C3)O2)CC1 ZINC001164894546 721394164 /nfs/dbraw/zinc/39/41/64/721394164.db2.gz YYVCURHLLCEVFI-IERDGZPVSA-N 1 0 416.957 2.444 20 0 HEADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C)c1 ZINC001164894096 721398126 /nfs/dbraw/zinc/39/81/26/721398126.db2.gz XPPIUPUDJFEVKY-OFNKIYASSA-N 1 0 416.566 2.332 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164887142 721407143 /nfs/dbraw/zinc/40/71/43/721407143.db2.gz LDMHXCGPYIAFCF-QRWLVFNGSA-N 1 0 404.946 2.377 20 0 HEADRO C=C(OCC)c1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164884505 721411904 /nfs/dbraw/zinc/41/19/04/721411904.db2.gz DNTQXTZUKNPRPJ-DENIHFKCSA-N 1 0 401.555 2.249 20 0 HEADRO CCN(CC)c1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164885609 721424331 /nfs/dbraw/zinc/42/43/31/721424331.db2.gz GSTBQLYEDVCQHU-KNQAVFIVSA-N 1 0 402.587 2.088 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cncc(Cl)n4)C3)O2)CC1 ZINC001164895384 721426976 /nfs/dbraw/zinc/42/69/76/721426976.db2.gz OGRIHSNMQNCNSW-CRAIPNDOSA-N 1 0 415.916 2.440 20 0 HEADRO CC(C)COc1nccnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164898404 721443800 /nfs/dbraw/zinc/44/38/00/721443800.db2.gz VYMXXURWKCLXEE-SIKLNZKXSA-N 1 0 403.571 2.277 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@@H](F)Oc4cncc(Cl)n4)C3)O2)CC1 ZINC001164890276 721445376 /nfs/dbraw/zinc/44/53/76/721445376.db2.gz CYQQYHSXMIZUJH-IPELMVKDSA-N 1 0 413.925 2.023 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nnc(Cl)cc2-c2ccncc2)CC3)CC1 ZINC001164794446 721510100 /nfs/dbraw/zinc/51/01/00/721510100.db2.gz POBLJCVGWPLXNH-UHFFFAOYSA-N 1 0 424.940 2.156 20 0 HEADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(CN5CCOCC5)cn4)CC[N@@H+]3C2)c1 ZINC001164900016 721514255 /nfs/dbraw/zinc/51/42/55/721514255.db2.gz NBUNWNPQXREPFE-UNMCSNQZSA-N 1 0 412.509 2.395 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cncc(Oc4cccc(F)c4)n2)CC3)CC1 ZINC001164797105 721516954 /nfs/dbraw/zinc/51/69/54/721516954.db2.gz GOPIANPMQQWXFV-UHFFFAOYSA-N 1 0 423.496 2.372 20 0 HEADRO Cc1ccc(-c2ccc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nn2)cc1 ZINC001164798236 721517878 /nfs/dbraw/zinc/51/78/78/721517878.db2.gz QDLROFCIXBOKSL-UHFFFAOYSA-N 1 0 403.534 2.416 20 0 HEADRO CCOC(=O)c1cnc(OC)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903994 721530254 /nfs/dbraw/zinc/53/02/54/721530254.db2.gz DTQAQYGDNUNRLN-DOTOQJQBSA-N 1 0 416.453 2.143 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cl)c(C(N)=O)n2)[C@H]2CCCO[C@H]12 ZINC001164800600 721533075 /nfs/dbraw/zinc/53/30/75/721533075.db2.gz CPEXQPGBKBTERI-FCEWJHQRSA-N 1 0 401.898 2.097 20 0 HEADRO CNC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1Cl ZINC001164804036 721563351 /nfs/dbraw/zinc/56/33/51/721563351.db2.gz KZQFJDQZDAAVJN-ABSDTBQOSA-N 1 0 415.925 2.358 20 0 HEADRO COCCN1C[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1=O ZINC001164901567 721573253 /nfs/dbraw/zinc/57/32/53/721573253.db2.gz GDAYHYOHCMKXFN-NHCUHLMSSA-N 1 0 406.530 2.181 20 0 HEADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC001164902261 721580408 /nfs/dbraw/zinc/58/04/08/721580408.db2.gz DYLHMPVJEGMYGQ-QHCPKHFHSA-N 1 0 424.549 2.222 20 0 HEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncccc2C(=O)N2CCCCC2)CC1 ZINC001165007804 721730985 /nfs/dbraw/zinc/73/09/85/721730985.db2.gz HYNOIHBBIUOPKU-UHFFFAOYSA-N 1 0 413.566 2.231 20 0 HEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c2CSCC3)CC1 ZINC001165008836 721731696 /nfs/dbraw/zinc/73/16/96/721731696.db2.gz RYLAJGLUMFZREE-UHFFFAOYSA-N 1 0 409.987 2.442 20 0 HEADRO COc1nc(-c2ccccc2)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165010844 721740475 /nfs/dbraw/zinc/74/04/75/721740475.db2.gz PPZMYTAJXJPARD-UHFFFAOYSA-N 1 0 410.522 2.070 20 0 HEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cncc(C(=O)N(C)C)n2)CC1 ZINC001165020541 721843808 /nfs/dbraw/zinc/84/38/08/721843808.db2.gz FQAQSVYPXMLUGZ-UHFFFAOYSA-N 1 0 413.522 2.296 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1 ZINC001164925609 721862679 /nfs/dbraw/zinc/86/26/79/721862679.db2.gz OOSOOEHBTUQTEX-OAGGEKHMSA-N 1 0 419.961 2.393 20 0 HEADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164924301 721863368 /nfs/dbraw/zinc/86/33/68/721863368.db2.gz KSAXRICEQRGFGR-QWHCGFSZSA-N 1 0 413.975 2.243 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(N3CCOCC3)cc2)nn1 ZINC001164932627 721885673 /nfs/dbraw/zinc/88/56/73/721885673.db2.gz JTPVHSTYPIQOKS-GOTSBHOMSA-N 1 0 422.577 2.195 20 0 HEADRO O=C(CO[C@@H]1CO[C@@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1)N1CCCC1 ZINC001164939560 721918750 /nfs/dbraw/zinc/91/87/50/721918750.db2.gz UPSZYWVIVRFRHF-REWPJTCUSA-N 1 0 414.550 2.054 20 0 HEADRO O=C1COC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)CN1Cc1cccnc1 ZINC001164951816 722003151 /nfs/dbraw/zinc/00/31/51/722003151.db2.gz JHRNVDYOKONRKK-UHFFFAOYSA-N 1 0 421.545 2.470 20 0 HEADRO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3C[N@@H+](C(C)(C)c4ccnc(Cl)c4)CC[C@@H]32)cn1 ZINC001164956065 722032471 /nfs/dbraw/zinc/03/24/71/722032471.db2.gz BNEJEGMIZZRKBH-NJAFHUGGSA-N 1 0 417.941 2.471 20 0 HEADRO COCc1nc(OC)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164965008 722061833 /nfs/dbraw/zinc/06/18/33/722061833.db2.gz HYFYYYSZRVBRDR-UHFFFAOYSA-N 1 0 413.522 2.146 20 0 HEADRO COc1cnc(SC)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984362 722102379 /nfs/dbraw/zinc/10/23/79/722102379.db2.gz SUFITKBBKVFUSS-WMZOPIPTSA-N 1 0 401.536 2.329 20 0 HEADRO Cc1nc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2[nH]1 ZINC001164978244 722109285 /nfs/dbraw/zinc/10/92/85/722109285.db2.gz OAMRASXJOREFNI-HZPDHXFCSA-N 1 0 413.913 2.437 20 0 HEADRO Cn1cnc2c1nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973089 722109967 /nfs/dbraw/zinc/10/99/67/722109967.db2.gz GKYXQNZEUADWBC-HOTGVXAUSA-N 1 0 413.913 2.139 20 0 HEADRO C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164975602 722120794 /nfs/dbraw/zinc/12/07/94/722120794.db2.gz JZASBJGFCDKGLM-BPQIPLTHSA-N 1 0 408.506 2.045 20 0 HEADRO F[C@H](Oc1ccc(Cl)nn1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975313 722156962 /nfs/dbraw/zinc/15/69/62/722156962.db2.gz SCZNALNGQSVXOM-MDZRGWNJSA-N 1 0 407.877 2.380 20 0 HEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(C)c(C5C[NH2+]C5)n4)CC[C@@H]32)cs1 ZINC001164989684 722186822 /nfs/dbraw/zinc/18/68/22/722186822.db2.gz PPNJKVUJQRZCSY-RBUKOAKNSA-N 1 0 414.579 2.107 20 0 HEADRO CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(c3cccc(OCC[NH+]4CCCC4)n3)[C@H]2C1 ZINC001164999095 722215465 /nfs/dbraw/zinc/21/54/65/722215465.db2.gz ZLWWUSWIOJVTPB-FHWLQOOXSA-N 1 0 402.539 2.065 20 0 HEADRO COC(=O)c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncc1Cl ZINC001164999588 722250996 /nfs/dbraw/zinc/25/09/96/722250996.db2.gz DDKKVPZZMCCNMM-UHFFFAOYSA-N 1 0 407.902 2.207 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(C(=O)NC(C)(C)C)ccn1)CCC2 ZINC001165001786 722255334 /nfs/dbraw/zinc/25/53/34/722255334.db2.gz FXQBWVHKEPGRKO-UHFFFAOYSA-N 1 0 414.554 2.295 20 0 HEADRO C[C@@H]1CCCN(c2cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ncn2)C1 ZINC001165003732 722257500 /nfs/dbraw/zinc/25/75/00/722257500.db2.gz GVAWANJTTXURHH-GOSISDBHSA-N 1 0 413.570 2.398 20 0 HEADRO C[NH+](C)C[C@H](O)CN[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000769686490 1078481097 /nfs/dbraw/zinc/48/10/97/1078481097.db2.gz IWUZZLQJYCFUCL-TVTNDZMWSA-N 1 0 405.539 2.402 20 0 HEADRO CCOC(=O)N1CCN(C(=O)CN(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000745450966 1078487367 /nfs/dbraw/zinc/48/73/67/1078487367.db2.gz WLOLHNWAJFMQSS-FPOVZHCZSA-N 1 0 416.566 2.445 20 0 HEADRO CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)C2)nc1 ZINC000766331399 1078492356 /nfs/dbraw/zinc/49/23/56/1078492356.db2.gz LWIHTXJDZVEXQF-DLBZAZTESA-N 1 0 404.511 2.482 20 0 HEADRO C[N@H+](CCC(=O)[O-])CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000769757333 1078542414 /nfs/dbraw/zinc/54/24/14/1078542414.db2.gz DHZDHHQRPKGTTJ-UHFFFAOYSA-N 1 0 410.518 2.354 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000745629714 1078564850 /nfs/dbraw/zinc/56/48/50/1078564850.db2.gz SKNTXAXADAAAOA-KRWDZBQOSA-N 1 0 410.518 2.147 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000769789831 1078567250 /nfs/dbraw/zinc/56/72/50/1078567250.db2.gz ACCDLQKIRUEOQH-MRXNPFEDSA-N 1 0 407.580 2.472 20 0 HEADRO CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000769799166 1078569487 /nfs/dbraw/zinc/56/94/87/1078569487.db2.gz DBARARFMVGATSE-SFTDATJTSA-N 1 0 416.566 2.244 20 0 HEADRO CC[C@@H](C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)N1CCCC1=O ZINC000745698768 1078592306 /nfs/dbraw/zinc/59/23/06/1078592306.db2.gz PNDRKSLAXPCBMB-SFHVURJKSA-N 1 0 419.547 2.118 20 0 HEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000766333190 1078596730 /nfs/dbraw/zinc/59/67/30/1078596730.db2.gz HWWZOCDLVZOYQK-GOSISDBHSA-N 1 0 424.586 2.227 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C1 ZINC000745721337 1078605368 /nfs/dbraw/zinc/60/53/68/1078605368.db2.gz RWYAPGDOMZNLKT-NHCICSSKSA-N 1 0 414.546 2.297 20 0 HEADRO COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000769851447 1078611205 /nfs/dbraw/zinc/61/12/05/1078611205.db2.gz YCFMWMKZCIABHB-UHFFFAOYSA-N 1 0 421.494 2.473 20 0 HEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000766334660 1078615956 /nfs/dbraw/zinc/61/59/56/1078615956.db2.gz YRELUMAYKLQOKA-OAQYLSRUSA-N 1 0 408.502 2.039 20 0 HEADRO CCC[C@@]1(CO)CCC[N@@H+]1CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000769914283 1078632400 /nfs/dbraw/zinc/63/24/00/1078632400.db2.gz YIAIICAIMCEWKK-KNQAVFIVSA-N 1 0 401.507 2.485 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)cc1 ZINC000745796494 1078651108 /nfs/dbraw/zinc/65/11/08/1078651108.db2.gz TZLHJTRPWKOJSV-CTNGQTDRSA-N 1 0 415.582 2.206 20 0 HEADRO CN(C)C(=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccc(Cl)cc21 ZINC000745803235 1078653509 /nfs/dbraw/zinc/65/35/09/1078653509.db2.gz QNUZUAAAJQPNRQ-HYVNUMGLSA-N 1 0 420.941 2.295 20 0 HEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745811612 1078656325 /nfs/dbraw/zinc/65/63/25/1078656325.db2.gz YFRSZJIXTIOJAJ-ROUUACIJSA-N 1 0 412.575 2.386 20 0 HEADRO O=S(=O)(c1ccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1)N1CCOCC1 ZINC000769926287 1078661262 /nfs/dbraw/zinc/66/12/62/1078661262.db2.gz LOYMKBMDELSKSS-IBGZPJMESA-N 1 0 410.923 2.184 20 0 HEADRO O=S(=O)(c1ccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1)N1CCOCC1 ZINC000769926291 1078661360 /nfs/dbraw/zinc/66/13/60/1078661360.db2.gz LOYMKBMDELSKSS-LJQANCHMSA-N 1 0 410.923 2.184 20 0 HEADRO CCOC(=O)N1CC[C@H]([NH2+][C@H](CN2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)C1 ZINC000769987400 1078675347 /nfs/dbraw/zinc/67/53/47/1078675347.db2.gz LYJFKYITNOODFX-RBUKOAKNSA-N 1 0 422.957 2.399 20 0 HEADRO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000769992256 1078676900 /nfs/dbraw/zinc/67/69/00/1078676900.db2.gz VTIJWDCYTZSVQL-UHFFFAOYSA-N 1 0 401.532 2.493 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000745863169 1078678141 /nfs/dbraw/zinc/67/81/41/1078678141.db2.gz RXQIEWAWGWVNQI-RXVVDRJESA-N 1 0 406.571 2.080 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000745863167 1078678240 /nfs/dbraw/zinc/67/82/40/1078678240.db2.gz RXQIEWAWGWVNQI-GHTZIAJQSA-N 1 0 406.571 2.080 20 0 HEADRO CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000766335318 1078678766 /nfs/dbraw/zinc/67/87/66/1078678766.db2.gz BDVIKKUSBDMBCE-UHFFFAOYSA-N 1 0 404.511 2.252 20 0 HEADRO C[NH+]1CCC(O)(CNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000745881950 1078684670 /nfs/dbraw/zinc/68/46/70/1078684670.db2.gz UMVQKPNUVXWSIJ-QGZVFWFLSA-N 1 0 406.527 2.008 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC(S(=O)(=O)CC)CC3)cc2)CC1 ZINC000770058461 1078686553 /nfs/dbraw/zinc/68/65/53/1078686553.db2.gz ZIDSHDMIINEZHK-UHFFFAOYSA-N 1 0 408.568 2.260 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)N(C)CC[N@H+](C)C3CCN(C)CC3)C2=O)cc1 ZINC000745885019 1078686732 /nfs/dbraw/zinc/68/67/32/1078686732.db2.gz NMXQRCFSYJTJFJ-NRFANRHFSA-N 1 0 415.582 2.158 20 0 HEADRO O=C(NC[C@H](O)c1c(F)cccc1F)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000770017595 1078688894 /nfs/dbraw/zinc/68/88/94/1078688894.db2.gz WBIOVVBYRUPWOL-IBGZPJMESA-N 1 0 417.456 2.391 20 0 HEADRO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000770019537 1078690810 /nfs/dbraw/zinc/69/08/10/1078690810.db2.gz TZTSAWQEQYEAIX-QFBILLFUSA-N 1 0 403.502 2.276 20 0 HEADRO CC(=O)OC1CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000770034736 1078697513 /nfs/dbraw/zinc/69/75/13/1078697513.db2.gz BKFFAGGCKZQLHC-UHFFFAOYSA-N 1 0 415.534 2.454 20 0 HEADRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)ccc2NC1=O ZINC000745933576 1078701130 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O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746150640 1078807191 /nfs/dbraw/zinc/80/71/91/1078807191.db2.gz BMIKUKSECOTKBY-DEOSSOPVSA-N 1 0 403.482 2.472 20 0 HEADRO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000770249659 1078811179 /nfs/dbraw/zinc/81/11/79/1078811179.db2.gz ZKIPOIDJVJYSAH-UHFFFAOYSA-N 1 0 423.304 2.091 20 0 HEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 ZINC000746185704 1078812290 /nfs/dbraw/zinc/81/22/90/1078812290.db2.gz XSUDDWPRJQOPJJ-AWEZNQCLSA-N 1 0 424.498 2.033 20 0 HEADRO CC[NH+]1CCN(CC(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000746186710 1078812621 /nfs/dbraw/zinc/81/26/21/1078812621.db2.gz UQKSUHZQKPFGCL-MOPGFXCFSA-N 1 0 408.587 2.405 20 0 HEADRO Cc1occc1-c1cc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n(CCO)n1 ZINC000746207540 1078818642 /nfs/dbraw/zinc/81/86/42/1078818642.db2.gz NWEWHXYEASCTLV-QFIPXVFZSA-N 1 0 410.474 2.019 20 0 HEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000770294330 1078819676 /nfs/dbraw/zinc/81/96/76/1078819676.db2.gz XAJMBPUQISSBCY-NHXNDTTKSA-N 1 0 416.385 2.365 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000770298936 1078821513 /nfs/dbraw/zinc/82/15/13/1078821513.db2.gz MOSIPBWZKGIKQT-ZWKOTPCHSA-N 1 0 408.587 2.166 20 0 HEADRO COC[C@@H]([NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C(C)C ZINC001170013809 1078823170 /nfs/dbraw/zinc/82/31/70/1078823170.db2.gz KFQCCRIWRAOAPE-XHSDSOJGSA-N 1 0 401.573 2.158 20 0 HEADRO CN(C[C@H]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC000746220362 1078825205 /nfs/dbraw/zinc/82/52/05/1078825205.db2.gz IXTISPOJTYTUDL-XXBNENTESA-N 1 0 417.550 2.339 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746238262 1078828959 /nfs/dbraw/zinc/82/89/59/1078828959.db2.gz XVXULAAJXXJBMB-AVRDEDQJSA-N 1 0 403.523 2.139 20 0 HEADRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000770360508 1078830485 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DMHFXIXSIVDVHV-HNNXBMFYSA-N 1 0 411.543 2.364 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1ccc(Br)cc1F ZINC000770405915 1078843461 /nfs/dbraw/zinc/84/34/61/1078843461.db2.gz OUSFTZMPVJOYJA-CQSZACIVSA-N 1 0 415.351 2.456 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000746292219 1078843897 /nfs/dbraw/zinc/84/38/97/1078843897.db2.gz AXVXUSHKBAQTNE-AUUYWEPGSA-N 1 0 409.527 2.165 20 0 HEADRO COC(=O)C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000746296279 1078845520 /nfs/dbraw/zinc/84/55/20/1078845520.db2.gz OAFIAPLDLYERLR-GOSISDBHSA-N 1 0 408.502 2.287 20 0 HEADRO C[C@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000746302093 1078847453 /nfs/dbraw/zinc/84/74/53/1078847453.db2.gz INXPPBIWXJGJKT-JTSKRJEESA-N 1 0 403.523 2.091 20 0 HEADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000746311412 1078851040 /nfs/dbraw/zinc/85/10/40/1078851040.db2.gz OYJAOFDDZLKGDH-PMACEKPBSA-N 1 0 406.546 2.449 20 0 HEADRO CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000770387393 1078849641 /nfs/dbraw/zinc/84/96/41/1078849641.db2.gz PSQOCCFLXMCSPM-RBUKOAKNSA-N 1 0 416.522 2.032 20 0 HEADRO CC1(C)CC(=O)N(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000746333065 1078862553 /nfs/dbraw/zinc/86/25/53/1078862553.db2.gz RJRSYGNNNYXNON-LBPRGKRZSA-N 1 0 423.311 2.237 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)CC[NH+]3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000746314380 1078854523 /nfs/dbraw/zinc/85/45/23/1078854523.db2.gz BUGHVZUOKGFZDB-OAQYLSRUSA-N 1 0 421.545 2.214 20 0 HEADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000766343119 1078858794 /nfs/dbraw/zinc/85/87/94/1078858794.db2.gz LCSBJJURPYINBV-UHFFFAOYSA-N 1 0 405.296 2.373 20 0 HEADRO C[NH+](C)[C@@H]1Cc2ccccc2N(CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000766342299 1078861565 /nfs/dbraw/zinc/86/15/65/1078861565.db2.gz XXNWBYDBJVYOQB-ZHRRBRCNSA-N 1 0 400.523 2.205 20 0 HEADRO CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000746332675 1078861847 /nfs/dbraw/zinc/86/18/47/1078861847.db2.gz OOUIGTXITPPMSA-PGRDOPGGSA-N 1 0 403.523 2.091 20 0 HEADRO COc1cccc(/C=C(/C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n2nnnc2C)c1 ZINC000746348287 1078868694 /nfs/dbraw/zinc/86/86/94/1078868694.db2.gz SRWYBXGCOBAJMD-VFAFIFLJSA-N 1 0 410.522 2.179 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000053778543 1078878994 /nfs/dbraw/zinc/87/89/94/1078878994.db2.gz YMORIDDLZXSQHT-UHFFFAOYSA-N 1 0 407.511 2.277 20 0 HEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770520717 1078882865 /nfs/dbraw/zinc/88/28/65/1078882865.db2.gz GQXSHRXPTGYHGQ-UXHICEINSA-N 1 0 403.523 2.214 20 0 HEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770520719 1078882894 /nfs/dbraw/zinc/88/28/94/1078882894.db2.gz GQXSHRXPTGYHGQ-WOJBJXKFSA-N 1 0 403.523 2.214 20 0 HEADRO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000746379652 1078885024 /nfs/dbraw/zinc/88/50/24/1078885024.db2.gz OXRMTKHCYJVPRS-UHFFFAOYSA-N 1 0 424.549 2.426 20 0 HEADRO Cn1cc(N2CC[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC2)cn1 ZINC000746381328 1078887113 /nfs/dbraw/zinc/88/71/13/1078887113.db2.gz CPCSDTRWIUHWHR-UHFFFAOYSA-N 1 0 402.296 2.277 20 0 HEADRO COc1ccc(C[C@]2(C)NC(=O)N(CN3CC[C@H](C[N@H+](C)CC4CC4)C3)C2=O)cc1 ZINC000746383622 1078889290 /nfs/dbraw/zinc/88/92/90/1078889290.db2.gz XKYSLBSRNQRVTA-XXBNENTESA-N 1 0 414.550 2.169 20 0 HEADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C3=NN(CC(C)C)C(=O)CC3)CC2)c1 ZINC000766348435 1078893662 /nfs/dbraw/zinc/89/36/62/1078893662.db2.gz ZXJGRKFKIHXJOB-UHFFFAOYSA-N 1 0 413.566 2.258 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000770605494 1078913179 /nfs/dbraw/zinc/91/31/79/1078913179.db2.gz LSOIGMHPZKPREX-QZTJIDSGSA-N 1 0 411.591 2.101 20 0 HEADRO C[NH+](C)C1(CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CCOCC1 ZINC000770609880 1078915604 /nfs/dbraw/zinc/91/56/04/1078915604.db2.gz AOSBKAOZZHEEES-QGZVFWFLSA-N 1 0 412.575 2.480 20 0 HEADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000749300483 1078918266 /nfs/dbraw/zinc/91/82/66/1078918266.db2.gz KMYFZQZTENZVBE-CHWSQXEVSA-N 1 0 419.341 2.387 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000746423680 1078918590 /nfs/dbraw/zinc/91/85/90/1078918590.db2.gz XBRGESLJGFTGER-CYBMUJFWSA-N 1 0 409.412 2.430 20 0 HEADRO Cc1ccc([C@H](CNC(=O)NCCNS(=O)(=O)Cc2ccccc2)[NH+](C)C)cc1 ZINC000065469088 1078919556 /nfs/dbraw/zinc/91/95/56/1078919556.db2.gz KBMZPJXDYJBYPO-FQEVSTJZSA-N 1 0 418.563 2.017 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770625953 1078920854 /nfs/dbraw/zinc/92/08/54/1078920854.db2.gz NUUPUISHTCICDE-QUCCMNQESA-N 1 0 401.507 2.015 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770625957 1078920899 /nfs/dbraw/zinc/92/08/99/1078920899.db2.gz NUUPUISHTCICDE-UYAOXDASSA-N 1 0 401.507 2.015 20 0 HEADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000770670555 1078926975 /nfs/dbraw/zinc/92/69/75/1078926975.db2.gz OUJLFHNPLKWCHA-UHFFFAOYSA-N 1 0 415.002 2.205 20 0 HEADRO CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000766379199 1078929582 /nfs/dbraw/zinc/92/95/82/1078929582.db2.gz YVEXNWRDOVXAFU-IUKKYPGJSA-N 1 0 424.549 2.130 20 0 HEADRO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000770686231 1078935259 /nfs/dbraw/zinc/93/52/59/1078935259.db2.gz VCCYQKINQXZDDY-QGZVFWFLSA-N 1 0 405.564 2.448 20 0 HEADRO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c(C(F)F)n1 ZINC000770650782 1078939019 /nfs/dbraw/zinc/93/90/19/1078939019.db2.gz WLQRVTGUNCDEKN-ZDUSSCGKSA-N 1 0 415.485 2.211 20 0 HEADRO COC(=O)C1(C)CCC([NH+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)CC1 ZINC001168782420 1078939869 /nfs/dbraw/zinc/93/98/69/1078939869.db2.gz OOUAALJWZQAPKP-WVNPWQTNSA-N 1 0 406.548 2.361 20 0 HEADRO CNC(=O)c1nn(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c(=O)c2ccccc21 ZINC000766373256 1078941245 /nfs/dbraw/zinc/94/12/45/1078941245.db2.gz FPJPODADPQJHHP-QZTJIDSGSA-N 1 0 419.529 2.308 20 0 HEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766402931 1078954147 /nfs/dbraw/zinc/95/41/47/1078954147.db2.gz AEENFFYBCPZLSD-NRFANRHFSA-N 1 0 416.566 2.131 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)CCCOC1 ZINC000770693365 1078961478 /nfs/dbraw/zinc/96/14/78/1078961478.db2.gz SWJMHJOVZUCHFJ-QUCCMNQESA-N 1 0 403.504 2.051 20 0 HEADRO COC1CC[NH+](CCNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766411752 1078964782 /nfs/dbraw/zinc/96/47/82/1078964782.db2.gz LNHJPESKLQEPRE-LJQANCHMSA-N 1 0 403.523 2.262 20 0 HEADRO COC(=O)Nc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000746448265 1078965478 /nfs/dbraw/zinc/96/54/78/1078965478.db2.gz BCEITRSLAGVOSM-SCLBCKFNSA-N 1 0 418.469 2.418 20 0 HEADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770697743 1078966624 /nfs/dbraw/zinc/96/66/24/1078966624.db2.gz CPYZWXWFGHLCAV-CPNJWEJPSA-N 1 0 422.522 2.175 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)CCCOC1 ZINC000770702841 1078971425 /nfs/dbraw/zinc/97/14/25/1078971425.db2.gz ALJVCYJJXGHHSP-AVRDEDQJSA-N 1 0 420.506 2.069 20 0 HEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C[C@@H]1C ZINC000766424025 1078974207 /nfs/dbraw/zinc/97/42/07/1078974207.db2.gz PRHOJDHRFURMTP-QWHCGFSZSA-N 1 0 422.473 2.474 20 0 HEADRO COc1ccc(CC[N@H+](CC(C)C)Cn2cc(S(=O)(=O)N(C)C)cn2)cc1OC ZINC000738045711 1078978795 /nfs/dbraw/zinc/97/87/95/1078978795.db2.gz ZHMNOBMHTOHUQT-UHFFFAOYSA-N 1 0 424.567 2.309 20 0 HEADRO COC(=O)Nc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)ccc1F ZINC000746454634 1078980038 /nfs/dbraw/zinc/98/00/38/1078980038.db2.gz OZNIDSXVCNAFCC-CQSZACIVSA-N 1 0 408.474 2.427 20 0 HEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC001168791959 1078996020 /nfs/dbraw/zinc/99/60/20/1078996020.db2.gz OYWVGVAGOGNWHJ-DHLKQENFSA-N 1 0 424.541 2.492 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)C1 ZINC000746448361 1078990250 /nfs/dbraw/zinc/99/02/50/1078990250.db2.gz BTNLLJUYKMVKMZ-RTBURBONSA-N 1 0 416.566 2.334 20 0 HEADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000804278774 1078994620 /nfs/dbraw/zinc/99/46/20/1078994620.db2.gz JMEJEHVIFMHQGE-FPOVZHCZSA-N 1 0 407.514 2.135 20 0 HEADRO O=C(NCCc1ccc(Cl)nc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804278857 1078994667 /nfs/dbraw/zinc/99/46/67/1078994667.db2.gz LKWWJAVPUYFEAT-SFHVURJKSA-N 1 0 400.910 2.032 20 0 HEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cc2nnc[nH]2)cc1 ZINC001168791760 1078995343 /nfs/dbraw/zinc/99/53/43/1078995343.db2.gz MUROKMUNPZRSAU-HSZRJFAPSA-N 1 0 405.502 2.105 20 0 HEADRO CC[C@H]([NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)c1ccc(C)c(F)c1 ZINC001168792295 1078997351 /nfs/dbraw/zinc/99/73/51/1078997351.db2.gz AOGJTTKBUYEQDJ-INIZCTEOSA-N 1 0 404.486 2.156 20 0 HEADRO C[C@](O)(CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000804278560 1078999109 /nfs/dbraw/zinc/99/91/09/1078999109.db2.gz CBQPQHLAVPOIQG-RDPSFJRHSA-N 1 0 409.530 2.039 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCCc3c(C)noc3C)c2)CC1 ZINC000770746236 1079002123 /nfs/dbraw/zinc/00/21/23/1079002123.db2.gz AJPUNQFSUCZSPK-UHFFFAOYSA-N 1 0 413.522 2.121 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2N2CCOC2=O)C1 ZINC000746455299 1079006032 /nfs/dbraw/zinc/00/60/32/1079006032.db2.gz RSFBKYHXDFVWFE-MRXNPFEDSA-N 1 0 402.495 2.066 20 0 HEADRO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000746463522 1079022497 /nfs/dbraw/zinc/02/24/97/1079022497.db2.gz UMPCYAUAZIRWBT-UHFFFAOYSA-N 1 0 405.539 2.263 20 0 HEADRO C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746474045 1079028191 /nfs/dbraw/zinc/02/81/91/1079028191.db2.gz ZZUJVKFQHRZUQC-VQTJNVASSA-N 1 0 423.579 2.139 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccncc2F)C[C@H]1C(=O)N1CCSC1 ZINC001170018163 1079030320 /nfs/dbraw/zinc/03/03/20/1079030320.db2.gz FYODLYDHXGEGKH-ZBFHGGJFSA-N 1 0 410.515 2.221 20 0 HEADRO Cc1ccccc1CN1CCN(C(=O)C[NH+]2CCC(N(C)CC(F)F)CC2)CC1 ZINC000746481433 1079040359 /nfs/dbraw/zinc/04/03/59/1079040359.db2.gz HVOYGOSDXJBXMI-UHFFFAOYSA-N 1 0 408.537 2.301 20 0 HEADRO Cc1cccc(Cc2cnc(NC(=O)CN3CC[NH+](CCCCO)CC3)s2)c1 ZINC000746484213 1079041609 /nfs/dbraw/zinc/04/16/09/1079041609.db2.gz MLOLEHYVRDQIEO-UHFFFAOYSA-N 1 0 402.564 2.371 20 0 HEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[NH+](CCCCO)CC1 ZINC000746483665 1079042518 /nfs/dbraw/zinc/04/25/18/1079042518.db2.gz HUEYKEMGJUBHKB-UHFFFAOYSA-N 1 0 418.321 2.109 20 0 HEADRO CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)ncn1 ZINC001168813549 1079044902 /nfs/dbraw/zinc/04/49/02/1079044902.db2.gz YNLQQIQSFHNMDW-YHZJOHHESA-N 1 0 421.457 2.431 20 0 HEADRO C[C@@H]1C[C@H](N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168831862 1079048425 /nfs/dbraw/zinc/04/84/25/1079048425.db2.gz CQMGOWGFWXWPPV-MJGOQNOKSA-N 1 0 416.566 2.494 20 0 HEADRO COC(=O)[C@H](C[NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001168818900 1079051686 /nfs/dbraw/zinc/05/16/86/1079051686.db2.gz UFGXHTORNHAHTI-IHRRRGAJSA-N 1 0 401.504 2.040 20 0 HEADRO CCN1C[C@H]2CC[N@@H+]([C@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC[C@H]2S1(=O)=O ZINC001168852420 1079052218 /nfs/dbraw/zinc/05/22/18/1079052218.db2.gz BYLZUOQKGQCRGO-VVLHAWIVSA-N 1 0 401.573 2.130 20 0 HEADRO C[C@@H]1C[C@@H](N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)CN1C(=O)OC(C)(C)C ZINC001168853688 1079053253 /nfs/dbraw/zinc/05/32/53/1079053253.db2.gz FGGXDLIEDUDYRD-MTHXSQLBSA-N 1 0 417.554 2.305 20 0 HEADRO 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 ZINC001168861320 1079056038 /nfs/dbraw/zinc/05/60/38/1079056038.db2.gz XWMSLRLNHZRLDD-FBAVSBLXSA-N 1 0 409.571 2.495 20 0 HEADRO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CN1C(=O)OC(C)(C)C ZINC001168864079 1079056901 /nfs/dbraw/zinc/05/69/01/1079056901.db2.gz JLCJPQNYGSWSKW-PBWVOLNLSA-N 1 0 407.555 2.249 20 0 HEADRO C[C@@H]1C[C@H](N(C[C@H]2CCC[NH2+]2)S(=O)(=O)C(F)(F)F)CN1C(=O)OC(C)(C)C ZINC001168863874 1079056908 /nfs/dbraw/zinc/05/69/08/1079056908.db2.gz KBZIKFXRCRZYIH-UPJWGTAASA-N 1 0 415.478 2.288 20 0 HEADRO C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)CN1C(=O)OC(C)(C)C ZINC001168869891 1079059297 /nfs/dbraw/zinc/05/92/97/1079059297.db2.gz YUKDHBOUAMPYAS-KBAYOESNSA-N 1 0 417.554 2.256 20 0 HEADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000766511769 1079060225 /nfs/dbraw/zinc/06/02/25/1079060225.db2.gz YUGRGIOCQSQNRX-CQSZACIVSA-N 1 0 417.460 2.318 20 0 HEADRO 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 ZINC001168849511 1079061199 /nfs/dbraw/zinc/06/11/99/1079061199.db2.gz KCNBJHKPWJXKQE-WSIUPNEHSA-N 1 0 407.555 2.390 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2(F)CCOCC2)C[C@H]1C(=O)N1CCSC1 ZINC001170018862 1079061945 /nfs/dbraw/zinc/06/19/45/1079061945.db2.gz AXCASLKEMCXOQI-GJZGRUSLSA-N 1 0 417.547 2.006 20 0 HEADRO COC[C@@H](C[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)NC(=O)OC(C)(C)C ZINC001168893623 1079063418 /nfs/dbraw/zinc/06/34/18/1079063418.db2.gz APTWRJMXDQFIKA-QZTJIDSGSA-N 1 0 421.538 2.316 20 0 HEADRO COC[C@H](C[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)NC(=O)OC(C)(C)C ZINC001168893621 1079063514 /nfs/dbraw/zinc/06/35/14/1079063514.db2.gz APTWRJMXDQFIKA-MSOLQXFVSA-N 1 0 421.538 2.316 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3C[C@H]4CN(c5ncccn5)C[C@@H]4C3)CC2=O)cc1 ZINC001168936658 1079079297 /nfs/dbraw/zinc/07/92/97/1079079297.db2.gz SOBGGIIIZUVSGO-UFYCRDLUSA-N 1 0 407.518 2.044 20 0 HEADRO CCC[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC000766533168 1079069247 /nfs/dbraw/zinc/06/92/47/1079069247.db2.gz GMBFRHHXXPHTKN-HZPDHXFCSA-N 1 0 401.573 2.256 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]CCOCCNC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168907413 1079072484 /nfs/dbraw/zinc/07/24/84/1079072484.db2.gz AIPVNNXOKMVXKD-SFHVURJKSA-N 1 0 421.538 2.317 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]C3CCN(C(=O)c4cccnc4)CC3)CC2=O)cc1 ZINC001168910296 1079073132 /nfs/dbraw/zinc/07/31/32/1079073132.db2.gz VUCLQXLBOKVUKG-OAQYLSRUSA-N 1 0 422.529 2.476 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]C3CCN(C(=O)c4ccccn4)CC3)CC2=O)cc1 ZINC001168910684 1079073175 /nfs/dbraw/zinc/07/31/75/1079073175.db2.gz YVBPDFAFARXPPX-HXUWFJFHSA-N 1 0 422.529 2.476 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]CCN(CCO)C(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168916403 1079075157 /nfs/dbraw/zinc/07/51/57/1079075157.db2.gz SHLRPERYYDEYGV-GOSISDBHSA-N 1 0 421.538 2.005 20 0 HEADRO CC(C)C[C@H](C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001168931931 1079077727 /nfs/dbraw/zinc/07/77/27/1079077727.db2.gz SKEWEHOKFUGMSM-SUUIZWKSSA-N 1 0 401.551 2.153 20 0 HEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C[C@@]2(C)C1 ZINC001168932555 1079078050 /nfs/dbraw/zinc/07/80/50/1079078050.db2.gz VIJSTWORLJYZRC-ORYQWCPZSA-N 1 0 418.925 2.345 20 0 HEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)CCCCOc3ccc(S(C)(=O)=O)cc3)C[C@@]2(C)C1 ZINC001168933554 1079078504 /nfs/dbraw/zinc/07/85/04/1079078504.db2.gz YJXYISKGKMKMCZ-OYRHEFFESA-N 1 0 408.564 2.439 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)n(C)c1 ZINC000766552025 1079082236 /nfs/dbraw/zinc/08/22/36/1079082236.db2.gz FQIYBJSOQUFTKP-UHFFFAOYSA-N 1 0 412.600 2.250 20 0 HEADRO CC(C)CN1N=C(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CCC1=O ZINC000766542861 1079084847 /nfs/dbraw/zinc/08/48/47/1079084847.db2.gz POHIRHGZWRUZRH-UHFFFAOYSA-N 1 0 400.527 2.185 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCC(NC(=O)c4cccnc4)CC3)CC2=O)cc1 ZINC001168953296 1079085707 /nfs/dbraw/zinc/08/57/07/1079085707.db2.gz HYYKNEBFROYWGF-NRFANRHFSA-N 1 0 422.529 2.476 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@H](NC(=O)NC(C)C)C3)CC2=O)cc1 ZINC001168953680 1079086072 /nfs/dbraw/zinc/08/60/72/1079086072.db2.gz LHIMSYAGSDDVRG-RBUKOAKNSA-N 1 0 402.539 2.358 20 0 HEADRO COc1ccc(CN2CC[C@@H](N3CCn4cc(C[NH+]5CCCC5)nc4C3)CC2=O)cc1 ZINC001168928378 1079087267 /nfs/dbraw/zinc/08/72/67/1079087267.db2.gz CBLQJDZYWBJASU-OAQYLSRUSA-N 1 0 423.561 2.494 20 0 HEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(-n2cncn2)cc1 ZINC000766565023 1079100877 /nfs/dbraw/zinc/10/08/77/1079100877.db2.gz WHMFCYDZVQVWOY-LBPRGKRZSA-N 1 0 403.430 2.232 20 0 HEADRO C[NH+](C)CC1(O)CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC001169030600 1079103294 /nfs/dbraw/zinc/10/32/94/1079103294.db2.gz CLGBQWWHXIJCKJ-UHFFFAOYSA-N 1 0 411.481 2.331 20 0 HEADRO Cc1nc(NC2CC2)sc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000771024349 1079107874 /nfs/dbraw/zinc/10/78/74/1079107874.db2.gz HDWMPRVJUMTXGF-UHFFFAOYSA-N 1 0 419.595 2.480 20 0 HEADRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC001169043062 1079109205 /nfs/dbraw/zinc/10/92/05/1079109205.db2.gz CTBZSNJATSXFMY-LPHOPBHVSA-N 1 0 404.511 2.360 20 0 HEADRO COc1cc(Br)cc2c1nc(Cl)nc2-n1cncc1C[C@@H]([NH3+])CO ZINC001169076475 1079113925 /nfs/dbraw/zinc/11/39/25/1079113925.db2.gz UEUXSSNMTBSXKX-SECBINFHSA-N 1 0 412.675 2.102 20 0 HEADRO Cc1noc(C)c1C[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170021117 1079116031 /nfs/dbraw/zinc/11/60/31/1079116031.db2.gz VCQYOCZYVRGFDU-ZBFHGGJFSA-N 1 0 410.540 2.292 20 0 HEADRO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000766580947 1079124928 /nfs/dbraw/zinc/12/49/28/1079124928.db2.gz CSJRWCXYOIOIIX-QAPCUYQASA-N 1 0 402.495 2.161 20 0 HEADRO CSc1ccc([C@H](O)[C@H](CO)Nc2ncc(OCC3CC[NH+](C)CC3)cn2)cc1 ZINC001169088474 1079138157 /nfs/dbraw/zinc/13/81/57/1079138157.db2.gz SZZINFZKCZECRJ-PMACEKPBSA-N 1 0 418.563 2.426 20 0 HEADRO COC(=O)[C@@](C)(N)Cc1cn(-c2nc(C)cc(OC3CC[NH2+]CC3)n2)c2ccccc12 ZINC001169105820 1079131492 /nfs/dbraw/zinc/13/14/92/1079131492.db2.gz JYRNVMUZXDCKBO-QHCPKHFHSA-N 1 0 423.517 2.293 20 0 HEADRO CSc1ccc([C@H](O)[C@H](CO)Nc2nc(N3CCC(C[NH3+])CC3)ncc2C)cc1 ZINC001169088248 1079137700 /nfs/dbraw/zinc/13/77/00/1079137700.db2.gz RNXXKQISMDGWDF-OALUTQOASA-N 1 0 417.579 2.188 20 0 HEADRO COC(=O)[C@@H](C[NH3+])Cc1ccc(-n2cc(C[C@@](C)(N)C(=O)OC)c3ccccc32)cc1 ZINC001169117726 1079141745 /nfs/dbraw/zinc/14/17/45/1079141745.db2.gz XMGRPLXJGPZFGE-MZNJEOGPSA-N 1 0 423.513 2.354 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCOC(F)(F)F)C[C@H]1C(=O)N1CCSC1 ZINC001170021398 1079144099 /nfs/dbraw/zinc/14/40/99/1079144099.db2.gz CZLRGQUUZVSEIX-RYUDHWBXSA-N 1 0 413.462 2.023 20 0 HEADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001626110932 1079144373 /nfs/dbraw/zinc/14/43/73/1079144373.db2.gz GSTOBDGCFPPZCP-QUCCMNQESA-N 1 0 415.559 2.382 20 0 HEADRO CCC[NH+]1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771094177 1079148754 /nfs/dbraw/zinc/14/87/54/1079148754.db2.gz FHBNONXRBIXRHN-FQEVSTJZSA-N 1 0 424.904 2.237 20 0 HEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000766602166 1079150735 /nfs/dbraw/zinc/15/07/35/1079150735.db2.gz BYCIYHKFGPRZJI-YADHBBJMSA-N 1 0 424.545 2.274 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3C[C@@H](OC)C3(CC)CC)cc2)CC1 ZINC000766605324 1079155332 /nfs/dbraw/zinc/15/53/32/1079155332.db2.gz UMFIMEAOSSQEMJ-VQTJNVASSA-N 1 0 416.566 2.477 20 0 HEADRO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1N1CCOC1=O ZINC000766606270 1079155860 /nfs/dbraw/zinc/15/58/60/1079155860.db2.gz NYQHOSHHCMHFDR-UHFFFAOYSA-N 1 0 414.506 2.367 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)C1CC1 ZINC001169112736 1079159770 /nfs/dbraw/zinc/15/97/70/1079159770.db2.gz QXOUYBMEUNHNMN-GOSISDBHSA-N 1 0 416.522 2.410 20 0 HEADRO COC(=O)[C@@](C)(N)Cc1cn(-c2ccc(N3CC[NH+](C)CC3)cn2)c2ccccc12 ZINC001169112855 1079160288 /nfs/dbraw/zinc/16/02/88/1079160288.db2.gz MXOUKLNPUSCZQC-QHCPKHFHSA-N 1 0 407.518 2.210 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 ZINC000766594874 1079162236 /nfs/dbraw/zinc/16/22/36/1079162236.db2.gz MZRQBCFBQFHEQA-UHFFFAOYSA-N 1 0 402.495 2.162 20 0 HEADRO Cc1ccc(F)c(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1F ZINC001169162186 1079171146 /nfs/dbraw/zinc/17/11/46/1079171146.db2.gz JUPCYPOGGPPLPN-AWEZNQCLSA-N 1 0 419.476 2.369 20 0 HEADRO Cc1ccc([C@@H]([NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C2CC2)nc1 ZINC001169188913 1079177658 /nfs/dbraw/zinc/17/76/58/1079177658.db2.gz BKZQFZAWLAZBID-LPHOPBHVSA-N 1 0 424.549 2.437 20 0 HEADRO Cc1ccc([C@H]([NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C2CC2)nc1 ZINC001169188915 1079177726 /nfs/dbraw/zinc/17/77/26/1079177726.db2.gz BKZQFZAWLAZBID-QFBILLFUSA-N 1 0 424.549 2.437 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCCc2ccncc21 ZINC001169194730 1079182259 /nfs/dbraw/zinc/18/22/59/1079182259.db2.gz DHXSHOJLIPPKFB-QAPCUYQASA-N 1 0 410.522 2.055 20 0 HEADRO CC[N@H+](CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C(C)C ZINC000771140978 1079190281 /nfs/dbraw/zinc/19/02/81/1079190281.db2.gz KYDLLQDJAXYETA-LJQANCHMSA-N 1 0 412.893 2.093 20 0 HEADRO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1CC(=O)NC1CC[NH+](C)CC1 ZINC001169178410 1079191941 /nfs/dbraw/zinc/19/19/41/1079191941.db2.gz PYVCYEIWXZVQFC-NRFANRHFSA-N 1 0 411.550 2.073 20 0 HEADRO C[NH+]1CCC(CCNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771144533 1079192570 /nfs/dbraw/zinc/19/25/70/1079192570.db2.gz LGUSCMXCCKVXDN-FQEVSTJZSA-N 1 0 424.904 2.094 20 0 HEADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3CC[NH+](C(C)C)CC3)C2=O)c(C)c1 ZINC000771146946 1079193974 /nfs/dbraw/zinc/19/39/74/1079193974.db2.gz DNVHIMSYUODWGO-JOCHJYFZSA-N 1 0 400.523 2.059 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(Cn3nc(-c4ccncc4)n(C)c3=S)CC2)CC1 ZINC000771175793 1079209306 /nfs/dbraw/zinc/20/93/06/1079209306.db2.gz JMSYWHNJLXLEPL-UHFFFAOYSA-N 1 0 415.611 2.461 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)CN3CC[C@H](c4ccccc4)NC3=O)CC[NH2+]2)c1 ZINC001169260273 1079214456 /nfs/dbraw/zinc/21/44/56/1079214456.db2.gz HNCKXOYOZAEVKK-IFMALSPDSA-N 1 0 422.529 2.195 20 0 HEADRO C[C@H]1CC(O)C[C@H](C)[NH+]1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001169285763 1079219612 /nfs/dbraw/zinc/21/96/12/1079219612.db2.gz XSEFJVQXOIPCET-HOTGVXAUSA-N 1 0 409.552 2.033 20 0 HEADRO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C[NH+](C)C)cc2)C1=O ZINC000771245847 1079226189 /nfs/dbraw/zinc/22/61/89/1079226189.db2.gz QBAUVJXRUUGXMQ-HSZRJFAPSA-N 1 0 424.501 2.471 20 0 HEADRO COc1ccc([C@H]2CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO2)cc1 ZINC001169311330 1079232633 /nfs/dbraw/zinc/23/26/33/1079232633.db2.gz ZNCDABOLCRQYAT-RTBURBONSA-N 1 0 421.538 2.440 20 0 HEADRO CC[NH+](CC)CCNC(=O)c1cc(Nn2c(N)cc(C)cc2=O)nc2ccccc21 ZINC001169297089 1079227660 /nfs/dbraw/zinc/22/76/60/1079227660.db2.gz ZWJWFIFCOBBWOI-UHFFFAOYSA-N 1 0 408.506 2.234 20 0 HEADRO O=C(OC1CCC([NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)CC1)c1ccccc1 ZINC001169304816 1079230644 /nfs/dbraw/zinc/23/06/44/1079230644.db2.gz NLALEPKKQXNPCT-UHFFFAOYSA-N 1 0 420.575 2.349 20 0 HEADRO C[C@@H]1CN(CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CC(C)(C)O1 ZINC000746505572 1079233764 /nfs/dbraw/zinc/23/37/64/1079233764.db2.gz KTLNCVYEHGIAKL-VGOFRKELSA-N 1 0 400.523 2.030 20 0 HEADRO C[C@H]1C[N@H+](CC2(O)C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CCN1CC(C)(C)O ZINC001169334331 1079236841 /nfs/dbraw/zinc/23/68/41/1079236841.db2.gz XNULXCVAMWJQBQ-PVNZRKONSA-N 1 0 411.587 2.056 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCNC(=O)/C=C/c2ccc(O)c(OC)c2)CO1 ZINC001169364383 1079242631 /nfs/dbraw/zinc/24/26/31/1079242631.db2.gz BNVODXYRYCMFLI-UCBJXKDQSA-N 1 0 420.506 2.011 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(C(=O)OC)cc3)CC2)CO1 ZINC001169352375 1079248977 /nfs/dbraw/zinc/24/89/77/1079248977.db2.gz OYPMQJTWDCFJJR-PMACEKPBSA-N 1 0 404.507 2.138 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C(=O)OC)cc3)CC2)CO1 ZINC001169352378 1079248998 /nfs/dbraw/zinc/24/89/98/1079248998.db2.gz OYPMQJTWDCFJJR-WOJBJXKFSA-N 1 0 404.507 2.138 20 0 HEADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000771259623 1079250431 /nfs/dbraw/zinc/25/04/31/1079250431.db2.gz TUJKIGDIQZCAPI-GOSISDBHSA-N 1 0 411.593 2.067 20 0 HEADRO O=C(NCCN(Cc1ccccc1)c1ccccn1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001687510679 1079252644 /nfs/dbraw/zinc/25/26/44/1079252644.db2.gz DACOUHNEFXVWMN-JOCHJYFZSA-N 1 0 423.561 2.329 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccc2F)C3)CO1 ZINC001169391797 1079261556 /nfs/dbraw/zinc/26/15/56/1079261556.db2.gz KDNJDDXLMAGQMQ-LZNRXBQRSA-N 1 0 421.513 2.250 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)CO1 ZINC001169393155 1079264508 /nfs/dbraw/zinc/26/45/08/1079264508.db2.gz BNNRROKHKIVMKF-CZYKHXBRSA-N 1 0 402.535 2.115 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)CO1 ZINC001169383747 1079254977 /nfs/dbraw/zinc/25/49/77/1079254977.db2.gz BNNFOQMYUFSMNN-XAPVIXHLSA-N 1 0 404.507 2.332 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)CO1 ZINC001169393742 1079265725 /nfs/dbraw/zinc/26/57/25/1079265725.db2.gz CIRISMGAZWVXAN-SRHPJPHMSA-N 1 0 404.507 2.331 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)CO1 ZINC001169396079 1079268067 /nfs/dbraw/zinc/26/80/67/1079268067.db2.gz KIYDRZIQDKVHCM-MOPGFXCFSA-N 1 0 401.507 2.149 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)CO1 ZINC001169397442 1079269119 /nfs/dbraw/zinc/26/91/19/1079269119.db2.gz NQJAWKFWMUQFKX-TVFCKZIOSA-N 1 0 407.536 2.128 20 0 HEADRO 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O=C(Nc1ccc(-n2cncn2)c(Cl)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000739119223 1076046384 /nfs/dbraw/zinc/04/63/84/1076046384.db2.gz KTRWNZJCUSSETE-MRXNPFEDSA-N 1 0 416.913 2.336 20 0 HEADRO C[C@H]1CSCCN1C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000739120465 1076046718 /nfs/dbraw/zinc/04/67/18/1076046718.db2.gz JUJXDKWEVHGLCA-AWEZNQCLSA-N 1 0 408.543 2.259 20 0 HEADRO O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000739120201 1076047000 /nfs/dbraw/zinc/04/70/00/1076047000.db2.gz PGNXDAATKRIMTE-UHFFFAOYSA-N 1 0 418.513 2.078 20 0 HEADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000739788252 1076075207 /nfs/dbraw/zinc/07/52/07/1076075207.db2.gz NLAPUBJPMKQMCP-CQSZACIVSA-N 1 0 415.943 2.080 20 0 HEADRO O=C(Nc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1)C(F)(F)F ZINC000739975283 1076089573 /nfs/dbraw/zinc/08/95/73/1076089573.db2.gz AWHYFBYKPHENDK-ZDUSSCGKSA-N 1 0 405.442 2.294 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 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416.595 2.342 20 0 HEADRO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000740882373 1076281215 /nfs/dbraw/zinc/28/12/15/1076281215.db2.gz MAYPMOXUGYGALF-DOTOQJQBSA-N 1 0 411.543 2.023 20 0 HEADRO CCC[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740883049 1076283960 /nfs/dbraw/zinc/28/39/60/1076283960.db2.gz MESLXFWGCDVHFI-KBAYOESNSA-N 1 0 420.554 2.188 20 0 HEADRO C[C@](O)(CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000740907085 1076287324 /nfs/dbraw/zinc/28/73/24/1076287324.db2.gz JEXCDRJWNDLOHJ-QFIPXVFZSA-N 1 0 416.591 2.463 20 0 HEADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)Cc1ccccc1 ZINC000740890434 1076291459 /nfs/dbraw/zinc/29/14/59/1076291459.db2.gz UWLHSTJFBYZREQ-SFHVURJKSA-N 1 0 403.504 2.094 20 0 HEADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H](O)c3c(Cl)cccc3Cl)C2)CC1 ZINC000740917879 1076305015 /nfs/dbraw/zinc/30/50/15/1076305015.db2.gz SLPBNXQIPMJCEI-DYVFJYSZSA-N 1 0 415.365 2.495 20 0 HEADRO Cc1cc(OCC(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)no1 ZINC000740946846 1076310609 /nfs/dbraw/zinc/31/06/09/1076310609.db2.gz OLCSDGSXUACWPI-UHFFFAOYSA-N 1 0 405.476 2.093 20 0 HEADRO CCS(=O)(=O)Nc1ccc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000741068544 1076351870 /nfs/dbraw/zinc/35/18/70/1076351870.db2.gz WYTKZUWHTYLCOB-UHFFFAOYSA-N 1 0 424.567 2.414 20 0 HEADRO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000741107212 1076360976 /nfs/dbraw/zinc/36/09/76/1076360976.db2.gz ANHIYNIPENDDSM-CQSZACIVSA-N 1 0 420.256 2.362 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)C[C@H](C)O)cc2Cl)CC1 ZINC000741097079 1076368833 /nfs/dbraw/zinc/36/88/33/1076368833.db2.gz BAFYIHLKNKYHOW-CVEARBPZSA-N 1 0 424.973 2.334 20 0 HEADRO COc1ccc([C@@H]2[C@H](COC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC[N@@H+]2C)cc1 ZINC000741123701 1076380276 /nfs/dbraw/zinc/38/02/76/1076380276.db2.gz IHAPAMWLMAWQFE-HRAATJIYSA-N 1 0 423.469 2.347 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000741145992 1076392232 /nfs/dbraw/zinc/39/22/32/1076392232.db2.gz YQRWVQMMOJLMPA-UHFFFAOYSA-N 1 0 417.554 2.109 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCO1 ZINC000741268421 1076438277 /nfs/dbraw/zinc/43/82/77/1076438277.db2.gz FSRRUTRTDRFWCH-XLIONFOSSA-N 1 0 403.523 2.392 20 0 HEADRO CN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)C[C@H]1CCC[N@H+](C)C1 ZINC000741253184 1076444296 /nfs/dbraw/zinc/44/42/96/1076444296.db2.gz SYFZTFLRMJTKNT-SFHVURJKSA-N 1 0 412.534 2.446 20 0 HEADRO COc1cccc2cc(C[NH2+]C3CCN(S(=O)(=O)c4cnn(C)c4)CC3)oc21 ZINC000741254607 1076445163 /nfs/dbraw/zinc/44/51/63/1076445163.db2.gz CEYLUVAVFQAMPX-UHFFFAOYSA-N 1 0 404.492 2.118 20 0 HEADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C)C(=O)Nc1ccc(N3CCOCC3)cc1)CC2 ZINC000741257040 1076445668 /nfs/dbraw/zinc/44/56/68/1076445668.db2.gz RYAIBOLNLJBMJN-IOMROCGXSA-N 1 0 417.550 2.102 20 0 HEADRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CC3)cc2)CC1 ZINC000741291610 1076460256 /nfs/dbraw/zinc/46/02/56/1076460256.db2.gz BNYUMHUTPRFEBP-FQEVSTJZSA-N 1 0 416.566 2.467 20 0 HEADRO O=C(COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)NC1CCC2(CC1)OCCO2 ZINC000741314520 1076465157 /nfs/dbraw/zinc/46/51/57/1076465157.db2.gz DKVNSQGQKYXDQW-IBGZPJMESA-N 1 0 416.518 2.244 20 0 HEADRO O=C(OCCNS(=O)(=O)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000741322215 1076466924 /nfs/dbraw/zinc/46/69/24/1076466924.db2.gz AKMCISRFZLNIRD-IBGZPJMESA-N 1 0 402.516 2.420 20 0 HEADRO CCn1c(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc2ccccc21 ZINC000741406759 1076512464 /nfs/dbraw/zinc/51/24/64/1076512464.db2.gz YVRKYDAAIKYSCI-QHCPKHFHSA-N 1 0 407.518 2.492 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000741412576 1076514133 /nfs/dbraw/zinc/51/41/33/1076514133.db2.gz SMERKSTXNPZIPE-MSOLQXFVSA-N 1 0 410.559 2.232 20 0 HEADRO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000741587270 1076546300 /nfs/dbraw/zinc/54/63/00/1076546300.db2.gz DTJADIBOJAFGLF-DBVUQKKJSA-N 1 0 400.523 2.373 20 0 HEADRO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000741587267 1076546336 /nfs/dbraw/zinc/54/63/36/1076546336.db2.gz DTJADIBOJAFGLF-AHRSYUTCSA-N 1 0 400.523 2.373 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000741587069 1076546764 /nfs/dbraw/zinc/54/67/64/1076546764.db2.gz VIOPLOGZLKHOMV-FZWXURRLSA-N 1 0 419.591 2.498 20 0 HEADRO COCCOc1ccc(-n2nc(C)c(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)n2)cc1 ZINC000741592570 1076548906 /nfs/dbraw/zinc/54/89/06/1076548906.db2.gz SUXXCPBINHTSOX-CRAIPNDOSA-N 1 0 401.511 2.156 20 0 HEADRO CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1(C)C ZINC000766271187 1076559063 /nfs/dbraw/zinc/55/90/63/1076559063.db2.gz MAQPQZGHWRURQF-UXHICEINSA-N 1 0 416.566 2.475 20 0 HEADRO Cc1cc(OCC(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)no1 ZINC000741610240 1076565287 /nfs/dbraw/zinc/56/52/87/1076565287.db2.gz RRILGCLPOSACIS-UHFFFAOYSA-N 1 0 412.412 2.449 20 0 HEADRO CN(C(=O)c1cc(N2CCOC2=O)ccc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000741689751 1076588259 /nfs/dbraw/zinc/58/82/59/1076588259.db2.gz GDCQGCJQPJBZEL-KRWDZBQOSA-N 1 0 404.486 2.023 20 0 HEADRO CN(C(=O)c1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000741713356 1076589400 /nfs/dbraw/zinc/58/94/00/1076589400.db2.gz ANBDHOGALZDMGS-SFHVURJKSA-N 1 0 414.531 2.217 20 0 HEADRO C[C@@H]1C[C@H](NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000741721193 1076593003 /nfs/dbraw/zinc/59/30/03/1076593003.db2.gz HCEGXVQPRWMBTL-SJLPKXTDSA-N 1 0 408.568 2.018 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000741721189 1076593082 /nfs/dbraw/zinc/59/30/82/1076593082.db2.gz HCEGXVQPRWMBTL-AEFFLSMTSA-N 1 0 408.568 2.018 20 0 HEADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000741754505 1076619997 /nfs/dbraw/zinc/61/99/97/1076619997.db2.gz RGXQKUTYXRSEKH-UHFFFAOYSA-N 1 0 423.000 2.486 20 0 HEADRO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741779584 1076624324 /nfs/dbraw/zinc/62/43/24/1076624324.db2.gz LRIMUUZANKGXLF-ROUUACIJSA-N 1 0 408.587 2.308 20 0 HEADRO Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000741781729 1076625163 /nfs/dbraw/zinc/62/51/63/1076625163.db2.gz OUWFZNVOBGZMLZ-IEBWSBKVSA-N 1 0 405.539 2.381 20 0 HEADRO CCN1CCN(C(=O)CC2CC[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)CC1 ZINC000741783477 1076625819 /nfs/dbraw/zinc/62/58/19/1076625819.db2.gz AXRXSPSBAFHZQY-NRFANRHFSA-N 1 0 414.550 2.278 20 0 HEADRO CCOC(=O)C1C(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)=NC(=O)N[C@H]1c1ccccc1 ZINC000741790955 1076629242 /nfs/dbraw/zinc/62/92/42/1076629242.db2.gz ONDXYORRUNBBGJ-MDYRTPRTSA-N 1 0 400.523 2.272 20 0 HEADRO CC(=O)c1ccc(N2CCN(C(=O)CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c(F)c1 ZINC000741791488 1076629269 /nfs/dbraw/zinc/62/92/69/1076629269.db2.gz VNJYANSGOBPCAZ-VQIMIIECSA-N 1 0 404.530 2.091 20 0 HEADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@H](C)CCC[C@@H]3C)C2=O)c1 ZINC000741794334 1076630921 /nfs/dbraw/zinc/63/09/21/1076630921.db2.gz JLDUIPBCEREUPW-WIEQDCTASA-N 1 0 402.495 2.004 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)NCCCN2C(=O)COc3ccccc32)CC1 ZINC000741809120 1076634614 /nfs/dbraw/zinc/63/46/14/1076634614.db2.gz QLUNERBOPWTDGY-UHFFFAOYSA-N 1 0 423.517 2.376 20 0 HEADRO Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000737451141 1076651444 /nfs/dbraw/zinc/65/14/44/1076651444.db2.gz JVJLSZUZPBVIJR-GOSISDBHSA-N 1 0 418.607 2.184 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=S)NCCN3CCOCC3)cc2)CC1 ZINC000737458392 1076701323 /nfs/dbraw/zinc/70/13/23/1076701323.db2.gz RQALRHIPRSISDU-UHFFFAOYSA-N 1 0 405.612 2.083 20 0 HEADRO C[C@@H](CNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C[NH+]1CCCCC1 ZINC000742051374 1076718832 /nfs/dbraw/zinc/71/88/32/1076718832.db2.gz UMTYDMZSFBUKLY-KRWDZBQOSA-N 1 0 420.579 2.086 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)C[C@@H]1C ZINC000742082940 1076738552 /nfs/dbraw/zinc/73/85/52/1076738552.db2.gz UPVOTTSHLOFUFL-IRXDYDNUSA-N 1 0 420.579 2.179 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000742107314 1076744052 /nfs/dbraw/zinc/74/40/52/1076744052.db2.gz HRKHPPGAJDOUGB-IEBWSBKVSA-N 1 0 403.523 2.433 20 0 HEADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742107856 1076744065 /nfs/dbraw/zinc/74/40/65/1076744065.db2.gz XCQLYKPQKPZNPE-PMACEKPBSA-N 1 0 403.523 2.118 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)CC1 ZINC000742098485 1076749536 /nfs/dbraw/zinc/74/95/36/1076749536.db2.gz OSNBGKBTJMZIAD-UHFFFAOYSA-N 1 0 415.538 2.453 20 0 HEADRO CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000742152487 1076767963 /nfs/dbraw/zinc/76/79/63/1076767963.db2.gz ISIDMBZOYRBHQN-KRWDZBQOSA-N 1 0 415.515 2.367 20 0 HEADRO CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CC[C@H](C[NH+]3CCOCC3)C1)C2=O ZINC000742161064 1076772741 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ZINC000766971978 1079567952 /nfs/dbraw/zinc/56/79/52/1079567952.db2.gz HILNIZZHEQQBGQ-JOCHJYFZSA-N 1 0 418.582 2.285 20 0 HEADRO COc1cccc(/C=C(\C(=O)N2CCC([NH+]3CCCCC3)CC2)n2nnnc2C)c1 ZINC000746517389 1079574157 /nfs/dbraw/zinc/57/41/57/1079574157.db2.gz MDBOPCQLWKDVAA-LTGZKZEYSA-N 1 0 410.522 2.465 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2C[C@]23CCCOC3)C[C@H]1C(=O)N1CCSC1 ZINC001170035479 1079578739 /nfs/dbraw/zinc/57/87/39/1079578739.db2.gz OAICFHLMQGMYJR-ASKKUZCQSA-N 1 0 411.568 2.056 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@@]3(CCc4cc(Cl)ccc43)C2=O)CC1 ZINC000771905652 1079583561 /nfs/dbraw/zinc/58/35/61/1079583561.db2.gz IPWZUDQPTPFTHM-OAQYLSRUSA-N 1 0 418.925 2.022 20 0 HEADRO C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1nc2ccccc2s1 ZINC000767018627 1079591114 /nfs/dbraw/zinc/59/11/14/1079591114.db2.gz NMRVJIGVWKCRSL-ZBFHGGJFSA-N 1 0 401.536 2.305 20 0 HEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 ZINC000771937180 1079591241 /nfs/dbraw/zinc/59/12/41/1079591241.db2.gz GXIQMCAEDRTVME-CALCHBBNSA-N 1 0 417.554 2.101 20 0 HEADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 ZINC000771941797 1079593701 /nfs/dbraw/zinc/59/37/01/1079593701.db2.gz UNHPQQUZVXWOJT-KRWDZBQOSA-N 1 0 417.554 2.245 20 0 HEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000767018838 1079593742 /nfs/dbraw/zinc/59/37/42/1079593742.db2.gz ADLOHTCPOYNABF-LEWJYISDSA-N 1 0 414.550 2.102 20 0 HEADRO Cc1nc(C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccccc1 ZINC000804345455 1079601312 /nfs/dbraw/zinc/60/13/12/1079601312.db2.gz NPXSXPRQLAIOMM-UHFFFAOYSA-N 1 0 418.545 2.466 20 0 HEADRO C[C@H](CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001156993782 1079630971 /nfs/dbraw/zinc/63/09/71/1079630971.db2.gz WTMUAWKQALLENU-XWSJACJDSA-N 1 0 409.571 2.327 20 0 HEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772018185 1079655519 /nfs/dbraw/zinc/65/55/19/1079655519.db2.gz IOUJEXUZIFHJLK-IXDOHACOSA-N 1 0 417.554 2.100 20 0 HEADRO Cc1ccc(N2C(=O)c3ccccc3/C(=C/NC[C@H]3C[NH+]4CCN3CC4)C2=O)cc1 ZINC000746521643 1079663565 /nfs/dbraw/zinc/66/35/65/1079663565.db2.gz IZZOCENUZJLVMD-UQRWVXEISA-N 1 0 402.498 2.112 20 0 HEADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCCS(=O)(=O)CC1CC1 ZINC000767097132 1079675969 /nfs/dbraw/zinc/67/59/69/1079675969.db2.gz UHGCLZBZKOQPOK-IAGOWNOFSA-N 1 0 407.580 2.267 20 0 HEADRO CCCCC[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000767144218 1079679041 /nfs/dbraw/zinc/67/90/41/1079679041.db2.gz OOXICKRKEIHUDP-VGOFRKELSA-N 1 0 400.523 2.268 20 0 HEADRO C[NH+](C)CCOC1CCN(C(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)CC1 ZINC000772085711 1079694272 /nfs/dbraw/zinc/69/42/72/1079694272.db2.gz UDJRLIYNIGJKHS-INIZCTEOSA-N 1 0 415.600 2.298 20 0 HEADRO Cc1c(-c2cc(CONC(=[NH2+])[C@H]3CN(Cc4ccccc4)CCO3)on2)cnn1C ZINC000767137471 1079699434 /nfs/dbraw/zinc/69/94/34/1079699434.db2.gz MHQHYCJFVBQKJW-HXUWFJFHSA-N 1 0 410.478 2.283 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000767164078 1079701742 /nfs/dbraw/zinc/70/17/42/1079701742.db2.gz OWHAMLSBSAOVQH-ROUUACIJSA-N 1 0 408.568 2.044 20 0 HEADRO CC1(C)OCC(C)(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CO1 ZINC000767173367 1079708810 /nfs/dbraw/zinc/70/88/10/1079708810.db2.gz IXATVQAMRQYYFE-IBGZPJMESA-N 1 0 416.566 2.231 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC(C)(C)S(=O)(=O)CC3)cc2)CC1 ZINC000772206325 1079739240 /nfs/dbraw/zinc/73/92/40/1079739240.db2.gz MLQYYGHHLDJJBX-UHFFFAOYSA-N 1 0 408.568 2.260 20 0 HEADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000772216538 1079743562 /nfs/dbraw/zinc/74/35/62/1079743562.db2.gz FRCMCSLYTGAMDQ-ZXMBATIKSA-N 1 0 407.540 2.018 20 0 HEADRO CCN(CC)C(=O)C1CC[NH+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000772229008 1079750842 /nfs/dbraw/zinc/75/08/42/1079750842.db2.gz WOBAMVRIKDXFMN-UHFFFAOYSA-N 1 0 414.550 2.488 20 0 HEADRO O=C(CCS(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1)OCc1ccccc1 ZINC000767289150 1079792689 /nfs/dbraw/zinc/79/26/89/1079792689.db2.gz KQRADDKTVOKCQX-UHFFFAOYSA-N 1 0 424.563 2.027 20 0 HEADRO CCC[C@@H]1CN(C(=O)Nc2ccc3[nH]nc(C(=O)OC)c3c2)CC[N@@H+]1CCOC ZINC000772292986 1079797500 /nfs/dbraw/zinc/79/75/00/1079797500.db2.gz MEWZAIIBXTUZER-OAHLLOKOSA-N 1 0 403.483 2.314 20 0 HEADRO COC(=O)/C=C/c1ccc(OCC[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000767297171 1079798480 /nfs/dbraw/zinc/79/84/80/1079798480.db2.gz SSKODBGPSLBBIU-VEGGFIAOSA-N 1 0 410.536 2.045 20 0 HEADRO COC(=O)/C=C\c1ccc(OCC[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000767315906 1079814139 /nfs/dbraw/zinc/81/41/39/1079814139.db2.gz APCPUMUFPLEZMS-KQQSKNTNSA-N 1 0 400.397 2.347 20 0 HEADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000767346397 1079824435 /nfs/dbraw/zinc/82/44/35/1079824435.db2.gz KEGTTXFZYGTFPY-HBMCJLEFSA-N 1 0 417.550 2.385 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc3[nH]nc(C(=O)OC)c3c2)C1 ZINC000772330625 1079824519 /nfs/dbraw/zinc/82/45/19/1079824519.db2.gz UDCPJWDLAHZSHL-OAHLLOKOSA-N 1 0 403.483 2.314 20 0 HEADRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1C[C@H](O)c1ccc(F)c(F)c1 ZINC000767361236 1079829250 /nfs/dbraw/zinc/82/92/50/1079829250.db2.gz NZSQBAFBJZYWDD-RXVVDRJESA-N 1 0 401.413 2.195 20 0 HEADRO NC(=O)c1cc(OC2CC[NH+](Cc3ccc(C(=O)N4CCCC4)cc3)CC2)ccn1 ZINC000772336726 1079829805 /nfs/dbraw/zinc/82/98/05/1079829805.db2.gz VWLLIHIGOJRARM-UHFFFAOYSA-N 1 0 408.502 2.460 20 0 HEADRO C[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000772343122 1079832449 /nfs/dbraw/zinc/83/24/49/1079832449.db2.gz GUZCHNSXTAHGPV-ZWKOTPCHSA-N 1 0 411.591 2.101 20 0 HEADRO Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)CC2(O)CCS(=O)(=O)CC2)c1 ZINC000767413933 1079838211 /nfs/dbraw/zinc/83/82/11/1079838211.db2.gz AQZIFWPWPPIVEM-OAQYLSRUSA-N 1 0 403.544 2.470 20 0 HEADRO CCc1nn(C)c(Cl)c1C(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000767470469 1079871957 /nfs/dbraw/zinc/87/19/57/1079871957.db2.gz QDHCUMIFBMTUNL-UHFFFAOYSA-N 1 0 411.978 2.336 20 0 HEADRO CCC[NH+]1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000772437747 1079877647 /nfs/dbraw/zinc/87/76/47/1079877647.db2.gz PTPKZSBGSOVTMM-UHFFFAOYSA-N 1 0 412.515 2.415 20 0 HEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000767458270 1079883644 /nfs/dbraw/zinc/88/36/44/1079883644.db2.gz SCLJYUIKJQQDRD-MRXNPFEDSA-N 1 0 412.506 2.354 20 0 HEADRO COC[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170043649 1079890118 /nfs/dbraw/zinc/89/01/18/1079890118.db2.gz OCZCQCJTORELGT-BBWFWOEESA-N 1 0 413.584 2.398 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)C1 ZINC000772587688 1079949200 /nfs/dbraw/zinc/94/92/00/1079949200.db2.gz CSPJDOFDIQQYAY-OKZBNKHCSA-N 1 0 412.575 2.430 20 0 HEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000772636221 1079994599 /nfs/dbraw/zinc/99/45/99/1079994599.db2.gz FHOUOVHAVRWXHM-BLLLJJGKSA-N 1 0 402.322 2.121 20 0 HEADRO C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000772605380 1080004471 /nfs/dbraw/zinc/00/44/71/1080004471.db2.gz QKGGEIFTPVVHNQ-PKOBYXMFSA-N 1 0 423.602 2.053 20 0 HEADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000772645222 1080009836 /nfs/dbraw/zinc/00/98/36/1080009836.db2.gz OZKPXZPXAMWVFJ-QGZVFWFLSA-N 1 0 414.333 2.184 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCCC3(COC3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170046820 1080009902 /nfs/dbraw/zinc/00/99/02/1080009902.db2.gz ZPWQQHONPVORIO-CVEARBPZSA-N 1 0 411.568 2.010 20 0 HEADRO O=C(C[C@H](O)c1ccc(Cl)cc1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000772644794 1080010033 /nfs/dbraw/zinc/01/00/33/1080010033.db2.gz JPVRNSYTSZLDOB-IBGZPJMESA-N 1 0 417.941 2.272 20 0 HEADRO Cc1ccc(CCCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000785506448 1080026882 /nfs/dbraw/zinc/02/68/82/1080026882.db2.gz RPKSUXPEYJXSME-NRFANRHFSA-N 1 0 401.551 2.112 20 0 HEADRO C[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)[C@H]1CNC(=O)OC(C)(C)C ZINC000785516610 1080030558 /nfs/dbraw/zinc/03/05/58/1080030558.db2.gz JNGKDDVHAOPOBW-MSOLQXFVSA-N 1 0 424.586 2.130 20 0 HEADRO CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000785519126 1080031958 /nfs/dbraw/zinc/03/19/58/1080031958.db2.gz AQYGWBLHNPFKNB-GOSISDBHSA-N 1 0 424.586 2.083 20 0 HEADRO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCc2cccc(Br)c2C1 ZINC000785518383 1080032333 /nfs/dbraw/zinc/03/23/33/1080032333.db2.gz UEUSBTBMKDZLGX-UHFFFAOYSA-N 1 0 408.340 2.326 20 0 HEADRO C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000785520538 1080033562 /nfs/dbraw/zinc/03/35/62/1080033562.db2.gz OGISANATVPNKGX-GOSISDBHSA-N 1 0 414.550 2.229 20 0 HEADRO CC1CC[NH+](CCCNC(=O)C(=O)NCc2ccc(Br)cc2F)CC1 ZINC000785520562 1080033719 /nfs/dbraw/zinc/03/37/19/1080033719.db2.gz OPEIJMFCXFTWJE-UHFFFAOYSA-N 1 0 414.319 2.443 20 0 HEADRO CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)CC1 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O=C(NCC1CC[NH+](C[C@H](O)COC2CCOCC2)CC1)OCc1ccccc1 ZINC000786106778 1080399418 /nfs/dbraw/zinc/39/94/18/1080399418.db2.gz ANRRCBZOTULMIY-FQEVSTJZSA-N 1 0 406.523 2.181 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)C1 ZINC000746571699 1080401678 /nfs/dbraw/zinc/40/16/78/1080401678.db2.gz ZIXVVJAIVNZGRV-IBGZPJMESA-N 1 0 400.523 2.124 20 0 HEADRO C[C@@H]1CN(C(=O)C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000786108592 1080401915 /nfs/dbraw/zinc/40/19/15/1080401915.db2.gz PVJJEJNPZQFBDU-QZTJIDSGSA-N 1 0 403.523 2.261 20 0 HEADRO O=C(C1CC[NH+](Cc2ccccc2I)CC1)N1CCOCC1 ZINC000768194364 1080409517 /nfs/dbraw/zinc/40/95/17/1080409517.db2.gz VJMHIHVUGUKKHS-UHFFFAOYSA-N 1 0 414.287 2.362 20 0 HEADRO CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786082087 1080414500 /nfs/dbraw/zinc/41/45/00/1080414500.db2.gz MHUKOFOHYPNQKB-HXUWFJFHSA-N 1 0 405.514 2.087 20 0 HEADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(F)(F)C2(O)CCCC2)CC1 ZINC000786159055 1080432872 /nfs/dbraw/zinc/43/28/72/1080432872.db2.gz KTOLUHCKOTZTGW-UHFFFAOYSA-N 1 0 403.514 2.014 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000768253638 1080442376 /nfs/dbraw/zinc/44/23/76/1080442376.db2.gz MLNZMNWXCCAIRN-CTNGQTDRSA-N 1 0 415.534 2.405 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000786248105 1080487707 /nfs/dbraw/zinc/48/77/07/1080487707.db2.gz JDYZYJNYLKBYNA-UXHICEINSA-N 1 0 415.538 2.414 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@](C(=O)OC)(C(F)(F)F)C3)cc2)CC1 ZINC000804367039 1080494779 /nfs/dbraw/zinc/49/47/79/1080494779.db2.gz DWLWSRFNNRVYEN-IBGZPJMESA-N 1 0 413.440 2.396 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@](C(=O)OC)(C(F)(F)F)C3)cc2)CC1 ZINC000804367040 1080496080 /nfs/dbraw/zinc/49/60/80/1080496080.db2.gz DWLWSRFNNRVYEN-LJQANCHMSA-N 1 0 413.440 2.396 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000786327443 1080563711 /nfs/dbraw/zinc/56/37/11/1080563711.db2.gz UFSJLANYTMPDHO-SFHVURJKSA-N 1 0 424.586 2.129 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000786327459 1080563860 /nfs/dbraw/zinc/56/38/60/1080563860.db2.gz ULMANGSYOKRXHK-INIZCTEOSA-N 1 0 416.522 2.057 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000786330414 1080565379 /nfs/dbraw/zinc/56/53/79/1080565379.db2.gz KXJGFMGZRDXFQD-OAQYLSRUSA-N 1 0 401.551 2.195 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000786331579 1080565708 /nfs/dbraw/zinc/56/57/08/1080565708.db2.gz QTUCMOIJACQSLE-SFHVURJKSA-N 1 0 424.586 2.081 20 0 HEADRO C[NH+](C)CC[C@H](NC(=O)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C(C)(C)C ZINC000786377958 1080577734 /nfs/dbraw/zinc/57/77/34/1080577734.db2.gz VVPALQJALSNQJN-IBGZPJMESA-N 1 0 416.566 2.021 20 0 HEADRO CN(C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000786389744 1080582093 /nfs/dbraw/zinc/58/20/93/1080582093.db2.gz FEFJOGABNNBRPS-QGZVFWFLSA-N 1 0 422.570 2.025 20 0 HEADRO CCOC(=O)c1ccc2c(c1)n(CN1CCC[C@@H]3C[N@H+](C)CC[C@@H]31)c(=O)n2CC ZINC000768504729 1080596247 /nfs/dbraw/zinc/59/62/47/1080596247.db2.gz VZYVLGWAQCVPAR-MSOLQXFVSA-N 1 0 400.523 2.373 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000786426797 1080596385 /nfs/dbraw/zinc/59/63/85/1080596385.db2.gz HZTASDDXKVGHRU-GOSISDBHSA-N 1 0 424.545 2.271 20 0 HEADRO COC(=O)Nc1cc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)ccc1F ZINC000786427451 1080596594 /nfs/dbraw/zinc/59/65/94/1080596594.db2.gz LMRPDKAEGGKSBF-UHFFFAOYSA-N 1 0 416.453 2.363 20 0 HEADRO C[C@@H](OC(=O)Cc1n[nH]c2ccccc12)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746587406 1080617700 /nfs/dbraw/zinc/61/77/00/1080617700.db2.gz XWZGLNKZGMBINF-AEFFLSMTSA-N 1 0 406.486 2.428 20 0 HEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C3SCCS3)CC2)cc1 ZINC000768579273 1080643268 /nfs/dbraw/zinc/64/32/68/1080643268.db2.gz FRMFIWTWJCHWEI-UHFFFAOYSA-N 1 0 410.561 2.079 20 0 HEADRO O=C(C[C@H](c1ccccc1)N1CCOC1=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000768579427 1080644574 /nfs/dbraw/zinc/64/45/74/1080644574.db2.gz JFTHQJXLJFPJJC-NJDAHSKKSA-N 1 0 415.534 2.454 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(N2CCOC2=O)ccc1F ZINC000768584074 1080665518 /nfs/dbraw/zinc/66/55/18/1080665518.db2.gz SOWLNQKGJSDPLJ-MOPGFXCFSA-N 1 0 405.470 2.280 20 0 HEADRO O=C(NCc1ccc(Cl)nc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000786601438 1080703286 /nfs/dbraw/zinc/70/32/86/1080703286.db2.gz GTPAHYYNQRYGAS-OAHLLOKOSA-N 1 0 406.939 2.441 20 0 HEADRO O=C(NCc1ccc(Cl)nc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000786601435 1080703313 /nfs/dbraw/zinc/70/33/13/1080703313.db2.gz GTPAHYYNQRYGAS-HNNXBMFYSA-N 1 0 406.939 2.441 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)nc1)Cc1ccccc1 ZINC000786604099 1080704233 /nfs/dbraw/zinc/70/42/33/1080704233.db2.gz WHHZVRFZOMRULX-GOSISDBHSA-N 1 0 402.926 2.421 20 0 HEADRO O=C(NC[C@@H](O)c1ccccc1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768707631 1080724192 /nfs/dbraw/zinc/72/41/92/1080724192.db2.gz BUPXCZVYYWDCOW-OAQYLSRUSA-N 1 0 411.502 2.340 20 0 HEADRO COc1c(C)cnc(CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)c1C ZINC000786629553 1080725916 /nfs/dbraw/zinc/72/59/16/1080725916.db2.gz RNPCCJIATMEFPE-IBGZPJMESA-N 1 0 404.555 2.340 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)nc2)CC1 ZINC000786596278 1080732336 /nfs/dbraw/zinc/73/23/36/1080732336.db2.gz SVCDWGQFLZRRCC-UHFFFAOYSA-N 1 0 400.910 2.440 20 0 HEADRO C[C@](O)(CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccco1 ZINC000768726536 1080754972 /nfs/dbraw/zinc/75/49/72/1080754972.db2.gz HVDXKRZVWYNADC-QFIPXVFZSA-N 1 0 415.490 2.107 20 0 HEADRO Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)o1 ZINC000768725861 1080755378 /nfs/dbraw/zinc/75/53/78/1080755378.db2.gz ZSNARGJOJGJICI-IBGZPJMESA-N 1 0 415.490 2.241 20 0 HEADRO C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H](O)c1c(F)cccc1Cl ZINC000768727367 1080755887 /nfs/dbraw/zinc/75/58/87/1080755887.db2.gz ODTCLYVSOLVLNV-GTNSWQLSSA-N 1 0 417.828 2.237 20 0 HEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cnn(-c3ccccc3Cl)c2)CCSC1 ZINC000768730971 1080758321 /nfs/dbraw/zinc/75/83/21/1080758321.db2.gz YXNKGZKGQXQBKR-GOSISDBHSA-N 1 0 407.927 2.018 20 0 HEADRO O=C(C[C@@H](O)c1cccc(F)c1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000772687487 1080763865 /nfs/dbraw/zinc/76/38/65/1080763865.db2.gz AZXWIPPGPVTZMD-OAQYLSRUSA-N 1 0 419.541 2.480 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000768747181 1080770437 /nfs/dbraw/zinc/77/04/37/1080770437.db2.gz LBLOAOXHMIBRFK-GOSISDBHSA-N 1 0 414.550 2.375 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCCc3cscn3)cc2)CC1 ZINC000768749540 1080771277 /nfs/dbraw/zinc/77/12/77/1080771277.db2.gz FTJMPWQGQQJHFG-UHFFFAOYSA-N 1 0 415.563 2.219 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3cnn(C)c3C)cc2Cl)CC1 ZINC000768753090 1080774118 /nfs/dbraw/zinc/77/41/18/1080774118.db2.gz HONJDTIVTJZTFM-UHFFFAOYSA-N 1 0 418.929 2.491 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000786732980 1080782485 /nfs/dbraw/zinc/78/24/85/1080782485.db2.gz UAXUJJUUXZRMJY-AEFFLSMTSA-N 1 0 423.583 2.107 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000786733537 1080783292 /nfs/dbraw/zinc/78/32/92/1080783292.db2.gz AECLPFXNHSIJNA-OAHLLOKOSA-N 1 0 401.577 2.114 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCCCC[NH+]2CCC(C)CC2)n1 ZINC000786735150 1080783740 /nfs/dbraw/zinc/78/37/40/1080783740.db2.gz NXKFKOGGNCIDHZ-UHFFFAOYSA-N 1 0 413.588 2.260 20 0 HEADRO CC(C)(C)OC(=O)NCCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000786745991 1080791459 /nfs/dbraw/zinc/79/14/59/1080791459.db2.gz CURRFNVJVRYTER-SFHVURJKSA-N 1 0 424.586 2.132 20 0 HEADRO CC1(C)CC([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)CC(C)(C)N1O ZINC001169995796 1080795985 /nfs/dbraw/zinc/79/59/85/1080795985.db2.gz WFCBUHJQCLCNOT-IPELMVKDSA-N 1 0 417.554 2.097 20 0 HEADRO O=C(NCCc1ccncc1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000786785292 1080821679 /nfs/dbraw/zinc/82/16/79/1080821679.db2.gz IPVBCTLTTCEZDN-FDFHNCONSA-N 1 0 406.530 2.157 20 0 HEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000768847296 1080822426 /nfs/dbraw/zinc/82/24/26/1080822426.db2.gz SAPQIJNHBRSBBJ-GJZGRUSLSA-N 1 0 412.515 2.412 20 0 HEADRO C[C@@H](OC(=O)CC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000786817133 1080841908 /nfs/dbraw/zinc/84/19/08/1080841908.db2.gz ZYUBOMQUGCMPMG-MRXNPFEDSA-N 1 0 407.470 2.352 20 0 HEADRO Cn1c2nnc(COC(=O)CC[N@@H+]3CCc4ccccc4C3)n2c2ccsc2c1=O ZINC000786824371 1080845759 /nfs/dbraw/zinc/84/57/59/1080845759.db2.gz HDEQHQCQMBLBJZ-UHFFFAOYSA-N 1 0 423.498 2.134 20 0 HEADRO CO[C@@H](CC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C(F)(F)F ZINC000786824225 1080846394 /nfs/dbraw/zinc/84/63/94/1080846394.db2.gz TXAXRPSGGMOMCW-JQWIXIFHSA-N 1 0 403.854 2.262 20 0 HEADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(Cc3ccc(F)c(F)c3)CC1)C2=O ZINC000768908571 1080849257 /nfs/dbraw/zinc/84/92/57/1080849257.db2.gz SXQSDONMRFTHTH-UHFFFAOYSA-N 1 0 406.477 2.193 20 0 HEADRO C[C@@H](OC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000786878574 1080866360 /nfs/dbraw/zinc/86/63/60/1080866360.db2.gz FOZJHOQIQWMMND-VQIMIIECSA-N 1 0 416.518 2.455 20 0 HEADRO O=C(Nc1ccc(-n2nccn2)cc1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000768970148 1080869738 /nfs/dbraw/zinc/86/97/38/1080869738.db2.gz VSRMDLBEIJYZHZ-WIYYLYMNSA-N 1 0 406.490 2.272 20 0 HEADRO O=C(Nc1cccc(CN2CCOC2=O)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000768970234 1080869765 /nfs/dbraw/zinc/86/97/65/1080869765.db2.gz OYSSGRGOTLOKOF-RTBURBONSA-N 1 0 402.495 2.138 20 0 HEADRO C[C@@H](NC(=O)CNC(=O)COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000786890323 1080870453 /nfs/dbraw/zinc/87/04/53/1080870453.db2.gz LGWHFWHPAVBQEA-DNVCBOLYSA-N 1 0 419.497 2.069 20 0 HEADRO C[C@@H](NC(=O)CNC(=O)COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000786890322 1080870562 /nfs/dbraw/zinc/87/05/62/1080870562.db2.gz LGWHFWHPAVBQEA-BEFAXECRSA-N 1 0 419.497 2.069 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000768984413 1080874815 /nfs/dbraw/zinc/87/48/15/1080874815.db2.gz DWVUUOPPISXRKP-SFHVURJKSA-N 1 0 424.517 2.491 20 0 HEADRO CON(C)C(=O)c1ccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000768986744 1080875878 /nfs/dbraw/zinc/87/58/78/1080875878.db2.gz AHAXEIJNIPWWHY-RBUKOAKNSA-N 1 0 404.511 2.209 20 0 HEADRO Cc1c(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1N1CCOC1=O ZINC000768988697 1080876610 /nfs/dbraw/zinc/87/66/10/1080876610.db2.gz MZSDOBMENVICPN-OALUTQOASA-N 1 0 402.495 2.451 20 0 HEADRO NC(=O)c1c2c(sc1NC(=O)COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CCC2 ZINC000786880059 1080884474 /nfs/dbraw/zinc/88/44/74/1080884474.db2.gz JQUOSPKXWAYAEU-CQSZACIVSA-N 1 0 405.520 2.224 20 0 HEADRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000769022858 1080887904 /nfs/dbraw/zinc/88/79/04/1080887904.db2.gz GQRIOLSIRLNQBW-QGZVFWFLSA-N 1 0 418.538 2.387 20 0 HEADRO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1)C2 ZINC001109414798 1080895700 /nfs/dbraw/zinc/89/57/00/1080895700.db2.gz LXYXSEAVLTWWQC-MJCUULBUSA-N 1 0 404.555 2.426 20 0 HEADRO Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1 ZINC001109415519 1080897868 /nfs/dbraw/zinc/89/78/68/1080897868.db2.gz WUUWCWZVILLWHF-SWBPCFCJSA-N 1 0 402.539 2.036 20 0 HEADRO COc1cc(N[C@@H]2CCCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc(OC)c1 ZINC000769098465 1080907548 /nfs/dbraw/zinc/90/75/48/1080907548.db2.gz LUJPPHDFYQWMMO-MMOPVJDHSA-N 1 0 418.538 2.153 20 0 HEADRO C[N@H+](CCOC(=O)c1cc(S(N)(=O)=O)ccc1Cl)Cc1ccc(F)cc1 ZINC000769062877 1080919258 /nfs/dbraw/zinc/91/92/58/1080919258.db2.gz KAIBGVSOFBCDSG-UHFFFAOYSA-N 1 0 400.859 2.415 20 0 HEADRO Cc1cccc([C@H](O)CNC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000769105666 1080935327 /nfs/dbraw/zinc/93/53/27/1080935327.db2.gz OAUVUCZDXNRJQO-FCHUYYIVSA-N 1 0 424.545 2.225 20 0 HEADRO COc1cccc(CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1OC ZINC000787017307 1080948341 /nfs/dbraw/zinc/94/83/41/1080948341.db2.gz LSJFUOQTOFHJIW-UHFFFAOYSA-N 1 0 417.550 2.481 20 0 HEADRO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1C ZINC000769193293 1080968288 /nfs/dbraw/zinc/96/82/88/1080968288.db2.gz VRXVDFBRRIOCKM-QGZVFWFLSA-N 1 0 407.559 2.373 20 0 HEADRO CN1CC[NH+](CC2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC2)CC1 ZINC000769193117 1080968382 /nfs/dbraw/zinc/96/83/82/1080968382.db2.gz AUGBZMRWLVQHMJ-GOSISDBHSA-N 1 0 410.603 2.412 20 0 HEADRO CC(C)(C)OC(=O)N1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000769152585 1080971211 /nfs/dbraw/zinc/97/12/11/1080971211.db2.gz FJROYATZMMXZLQ-MSOLQXFVSA-N 1 0 410.559 2.017 20 0 HEADRO CCc1ccc(N2CCN(C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)cc1 ZINC000769152485 1080971875 /nfs/dbraw/zinc/97/18/75/1080971875.db2.gz FCIIDRAHMYJLTL-VXKWHMMOSA-N 1 0 400.567 2.458 20 0 HEADRO O=C(NC[C@H](O)c1ccccc1C(F)(F)F)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000769157069 1080976581 /nfs/dbraw/zinc/97/65/81/1080976581.db2.gz SUNGAABZRJJMKT-KURKYZTESA-N 1 0 415.456 2.416 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000769159869 1080977736 /nfs/dbraw/zinc/97/77/36/1080977736.db2.gz FNCSFYWSXDOCDE-MSOLQXFVSA-N 1 0 410.559 2.017 20 0 HEADRO O=C(NC[C@]1(O)CCCc2ccccc21)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000769160426 1080978376 /nfs/dbraw/zinc/97/83/76/1080978376.db2.gz HSGWWTRLEIYUEA-FUPPJEDESA-N 1 0 401.551 2.278 20 0 HEADRO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCN1C(=O)OC(C)(C)C ZINC000769161496 1080979580 /nfs/dbraw/zinc/97/95/80/1080979580.db2.gz LRNMZEHSFNBTPS-NEWSRXKRSA-N 1 0 424.586 2.405 20 0 HEADRO O=C(CSc1nnnn1CC(F)(F)F)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000772693978 1080981285 /nfs/dbraw/zinc/98/12/85/1080981285.db2.gz PMHDATXPGSTEIE-UHFFFAOYSA-N 1 0 419.429 2.376 20 0 HEADRO CC(C)(C)OC(=O)N1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000769164494 1080982110 /nfs/dbraw/zinc/98/21/10/1080982110.db2.gz AXCNRRAFUBAUPT-MOPGFXCFSA-N 1 0 424.586 2.407 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)CC1 ZINC001170001028 1080988528 /nfs/dbraw/zinc/98/85/28/1080988528.db2.gz ZZRARBYHHGHLLA-UHFFFAOYSA-N 1 0 416.497 2.412 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000787110466 1081004311 /nfs/dbraw/zinc/00/43/11/1081004311.db2.gz UZGVNIIXRSAPPI-GOSISDBHSA-N 1 0 415.490 2.161 20 0 HEADRO CCCCOc1cccc(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000787115699 1081006747 /nfs/dbraw/zinc/00/67/47/1081006747.db2.gz MBAOMQIDOMQGCC-OAQYLSRUSA-N 1 0 417.550 2.241 20 0 HEADRO CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787117546 1081006999 /nfs/dbraw/zinc/00/69/99/1081006999.db2.gz QZUXRULJWNOXMW-LJQANCHMSA-N 1 0 407.942 2.448 20 0 HEADRO COC(=O)c1cn([C@H]2CC[N@H+](CCOc3ccccc3C(=O)OC(C)(C)C)C2)nn1 ZINC000769223608 1081007471 /nfs/dbraw/zinc/00/74/71/1081007471.db2.gz WNKQPNIWABGOSR-HNNXBMFYSA-N 1 0 416.478 2.346 20 0 HEADRO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787121258 1081009547 /nfs/dbraw/zinc/00/95/47/1081009547.db2.gz DXDMLBYBFXBINU-HBGVWJBISA-N 1 0 417.525 2.495 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000787103332 1081014454 /nfs/dbraw/zinc/01/44/54/1081014454.db2.gz CXKGCTFWWOHSSG-OAQYLSRUSA-N 1 0 417.525 2.324 20 0 HEADRO Cc1nc(C)c([C@H](C)N(C)C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000787104603 1081014909 /nfs/dbraw/zinc/01/49/09/1081014909.db2.gz KCNGIHGPWCMKGO-YOEHRIQHSA-N 1 0 408.568 2.039 20 0 HEADRO Cc1ccc(SC[C@H](C)NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000787103971 1081015231 /nfs/dbraw/zinc/01/52/31/1081015231.db2.gz DWVNHNPSOUCXCG-HKUYNNGSSA-N 1 0 419.591 2.351 20 0 HEADRO CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000787105785 1081015468 /nfs/dbraw/zinc/01/54/68/1081015468.db2.gz ICVQCTBKVHRCBX-UTKZUKDTSA-N 1 0 417.550 2.411 20 0 HEADRO O=C(NCC1(Cc2ccc(F)cc2)CC1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787131463 1081019598 /nfs/dbraw/zinc/01/95/98/1081019598.db2.gz VBQZZVDDHUPIPZ-FQEVSTJZSA-N 1 0 417.525 2.024 20 0 HEADRO C[C@@H]1c2c(F)cccc2CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787131446 1081019672 /nfs/dbraw/zinc/01/96/72/1081019672.db2.gz UUOQDCAHXVEQRH-QAPCUYQASA-N 1 0 403.498 2.031 20 0 HEADRO CC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000769261262 1081020480 /nfs/dbraw/zinc/02/04/80/1081020480.db2.gz OFVAWAVZLOTYNP-UHFFFAOYSA-N 1 0 422.529 2.167 20 0 HEADRO O=C(NCCSC(F)(F)F)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000787135642 1081021964 /nfs/dbraw/zinc/02/19/64/1081021964.db2.gz CUHQWXJNZKVGAO-UHFFFAOYSA-N 1 0 403.470 2.179 20 0 HEADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000787135973 1081022544 /nfs/dbraw/zinc/02/25/44/1081022544.db2.gz FOYLLLUGXOIMMQ-SFHVURJKSA-N 1 0 409.530 2.179 20 0 HEADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000787137027 1081023455 /nfs/dbraw/zinc/02/34/55/1081023455.db2.gz JLQQXQXMXZVUGG-UHFFFAOYSA-N 1 0 414.937 2.483 20 0 HEADRO CC[C@H](CSc1ccccc1)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787142264 1081026344 /nfs/dbraw/zinc/02/63/44/1081026344.db2.gz YCPDOYCQXCCBOS-MJGOQNOKSA-N 1 0 419.591 2.433 20 0 HEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000769277440 1081028777 /nfs/dbraw/zinc/02/87/77/1081028777.db2.gz SKIRGQRSJKOWNH-CYBMUJFWSA-N 1 0 422.519 2.461 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1c2cnccc2n(Cc2ccccc2)c1=O ZINC000746646521 1081035451 /nfs/dbraw/zinc/03/54/51/1081035451.db2.gz GXGXUHYXSXZMAF-LSWJPFSZSA-N 1 0 421.545 2.387 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000769306416 1081038050 /nfs/dbraw/zinc/03/80/50/1081038050.db2.gz GRPNAIXRMJPSRM-OAGGEKHMSA-N 1 0 421.460 2.034 20 0 HEADRO CSCC[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000787160238 1081039212 /nfs/dbraw/zinc/03/92/12/1081039212.db2.gz VJHNEQPNTDAYON-GVDBMIGSSA-N 1 0 407.580 2.170 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)C1 ZINC000746649136 1081045403 /nfs/dbraw/zinc/04/54/03/1081045403.db2.gz UZRVUVOIGRVQJW-GOSISDBHSA-N 1 0 403.523 2.152 20 0 HEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000787180028 1081047528 /nfs/dbraw/zinc/04/75/28/1081047528.db2.gz ISGVWXRBCJLOEJ-UHFFFAOYSA-N 1 0 409.534 2.018 20 0 HEADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000769337730 1081047711 /nfs/dbraw/zinc/04/77/11/1081047711.db2.gz OEBFQMIMURSQDN-IUODEOHRSA-N 1 0 407.383 2.312 20 0 HEADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NCC[S@](=O)C(C)(C)C)C1 ZINC000787157348 1081049229 /nfs/dbraw/zinc/04/92/29/1081049229.db2.gz KWMAMZKMVFWCMF-ADKRDUOOSA-N 1 0 421.607 2.198 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000769367102 1081054352 /nfs/dbraw/zinc/05/43/52/1081054352.db2.gz APFKGAHUOKHONR-UHFFFAOYSA-N 1 0 409.477 2.236 20 0 HEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769372301 1081055983 /nfs/dbraw/zinc/05/59/83/1081055983.db2.gz UWGYFKOULQPXCA-HZPDHXFCSA-N 1 0 411.493 2.482 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000769373269 1081056401 /nfs/dbraw/zinc/05/64/01/1081056401.db2.gz HAPCNCDMLOEMNC-KRWDZBQOSA-N 1 0 409.477 2.332 20 0 HEADRO CN(Cc1ccn(-c2ccccc2)n1)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000787194250 1081058412 /nfs/dbraw/zinc/05/84/12/1081058412.db2.gz XLAAWZGJHQMLLT-UHFFFAOYSA-N 1 0 409.534 2.354 20 0 HEADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc4ccccc4nc3N3CCOCC3)CC2)C1 ZINC000769382661 1081058684 /nfs/dbraw/zinc/05/86/84/1081058684.db2.gz ZXYKUSXSYLCHGO-QFIPXVFZSA-N 1 0 409.578 2.283 20 0 HEADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000769423996 1081068960 /nfs/dbraw/zinc/06/89/60/1081068960.db2.gz IKLMZYIHKQNKEI-HKUYNNGSSA-N 1 0 418.586 2.354 20 0 HEADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000769436744 1081074063 /nfs/dbraw/zinc/07/40/63/1081074063.db2.gz XKDFEABGTSBVSV-HXUWFJFHSA-N 1 0 403.527 2.131 20 0 HEADRO Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)n2)c1 ZINC000787224050 1081078000 /nfs/dbraw/zinc/07/80/00/1081078000.db2.gz CBSGBFBARLECAC-WBVHZDCISA-N 1 0 413.526 2.179 20 0 HEADRO COc1cccc(C(=O)NCC[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000769491290 1081081386 /nfs/dbraw/zinc/08/13/86/1081081386.db2.gz LKDISVXEWVLEAT-SJLPKXTDSA-N 1 0 421.538 2.429 20 0 HEADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC000787233350 1081081506 /nfs/dbraw/zinc/08/15/06/1081081506.db2.gz CILIGZKCOQYKKJ-PWSUYJOCSA-N 1 0 423.357 2.378 20 0 HEADRO COc1cc(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1OC(C)C ZINC000787232046 1081081655 /nfs/dbraw/zinc/08/16/55/1081081655.db2.gz ANVIAZWLSOFORW-GOSISDBHSA-N 1 0 405.539 2.431 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000787234552 1081082082 /nfs/dbraw/zinc/08/20/82/1081082082.db2.gz OPISPJJDDJLGLX-WMZOPIPTSA-N 1 0 405.539 2.287 20 0 HEADRO COc1cc(CNC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)ccc1OC(C)C ZINC000787238376 1081085299 /nfs/dbraw/zinc/08/52/99/1081085299.db2.gz QYWDTHKRPKWFRW-UHFFFAOYSA-N 1 0 413.518 2.477 20 0 HEADRO COc1ccc(C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C1CC1 ZINC000769475062 1081091666 /nfs/dbraw/zinc/09/16/66/1081091666.db2.gz BTABPYWTWZPFBL-GOSISDBHSA-N 1 0 404.507 2.202 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)[C@H](C)C1 ZINC000769475242 1081091737 /nfs/dbraw/zinc/09/17/37/1081091737.db2.gz JKXHXBLKLRBWNG-CRAIPNDOSA-N 1 0 411.493 2.434 20 0 HEADRO CNc1nc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cs1 ZINC000769497127 1081097016 /nfs/dbraw/zinc/09/70/16/1081097016.db2.gz SQPLMUMRXQKMMO-INIZCTEOSA-N 1 0 400.552 2.254 20 0 HEADRO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCNS(=O)(=O)c1cccnc1 ZINC000769532186 1081112559 /nfs/dbraw/zinc/11/25/59/1081112559.db2.gz NWVKCFNFWGLVLJ-JKSUJKDBSA-N 1 0 412.556 2.128 20 0 HEADRO CCc1ccc([C@@]2(CC)NC(=O)N(CC(=O)NC3CC[NH+](C(C)C)CC3)C2=O)cc1 ZINC000769606596 1081167579 /nfs/dbraw/zinc/16/75/79/1081167579.db2.gz VQBXCAWNKHQKTK-HSZRJFAPSA-N 1 0 414.550 2.395 20 0 HEADRO COCCn1cc([C@H]2[C@H](C[NH2+]Cc3nc(C)ccc3O)CC(=O)N2C(C)(C)C)cn1 ZINC000328606424 569418428 /nfs/dbraw/zinc/41/84/28/569418428.db2.gz RNDCBANLQXXCDN-HRAATJIYSA-N 1 0 415.538 2.416 20 0 HEADRO OC[C@]12C[NH2+]C[C@H]1CN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164403812 718853569 /nfs/dbraw/zinc/85/35/69/718853569.db2.gz IWNMUBHXPGWEFV-OYHNWAKOSA-N 1 0 413.591 2.184 20 0 HEADRO COc1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c(Cl)nn2)cc1 ZINC001164410240 718854766 /nfs/dbraw/zinc/85/47/66/718854766.db2.gz ZKXDRMXVKVNSLB-ACJLOTCBSA-N 1 0 410.852 2.369 20 0 HEADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCOCC12C[NH2+]C2 ZINC001164403413 718859829 /nfs/dbraw/zinc/85/98/29/718859829.db2.gz NOZPKIGFCIHWIH-UHFFFAOYSA-N 1 0 424.835 2.211 20 0 HEADRO FC(F)(c1nc2ccsc2c(Cl)n1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164422247 718913585 /nfs/dbraw/zinc/91/35/85/718913585.db2.gz YGQCNQKRJXHOTQ-OAHLLOKOSA-N 1 0 404.870 2.475 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)cn1)C2 ZINC001164433801 718968364 /nfs/dbraw/zinc/96/83/64/718968364.db2.gz NHNLZQYSQQMEGO-CHWSQXEVSA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nccnc1Cl)C2 ZINC001164431798 718970150 /nfs/dbraw/zinc/97/01/50/718970150.db2.gz BQLLZDJNCHAQHV-CHWSQXEVSA-N 1 0 414.762 2.196 20 0 HEADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@@]1(F)N1CCC(C2C[NH2+]C2)CC1 ZINC001164615116 719037332 /nfs/dbraw/zinc/03/73/32/719037332.db2.gz JNSXEABKUYEDNV-HXUWFJFHSA-N 1 0 422.936 2.428 20 0 HEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccc(OC)c2)nnc1Cl ZINC001164636690 719137733 /nfs/dbraw/zinc/13/77/33/719137733.db2.gz ZUWWABTYEMAAQD-HNNXBMFYSA-N 1 0 412.824 2.302 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)n2)CC1 ZINC001164646627 719294270 /nfs/dbraw/zinc/29/42/70/719294270.db2.gz PBXSBFOJNKTHEX-VIZSFHNOSA-N 1 0 409.534 2.181 20 0 HEADRO C[NH+]1CCN(c2ccc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCC3CCCC3)nn2)CC1 ZINC001164662221 719342388 /nfs/dbraw/zinc/34/23/88/719342388.db2.gz ORBJIIRLYTUQEN-DXIQSLLYSA-N 1 0 401.555 2.171 20 0 HEADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2CN(C(C)C)C3=O)c2c1CC[NH2+]C2 ZINC001164679751 719637118 /nfs/dbraw/zinc/63/71/18/719637118.db2.gz LQBFZPKTVVIRGM-UHFFFAOYSA-N 1 0 417.945 2.166 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)CC2 ZINC001164683743 719727692 /nfs/dbraw/zinc/72/76/92/719727692.db2.gz FLADMVRLSMJJNX-UHFFFAOYSA-N 1 0 401.889 2.473 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccccc3nc1N1CCCC1)CC2 ZINC001164689656 719738109 /nfs/dbraw/zinc/73/81/09/719738109.db2.gz JXGFLCSJBYKQJJ-UHFFFAOYSA-N 1 0 408.550 2.411 20 0 HEADRO O=C(CO[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncccc1C[NH+]1CCCC1)N1CCCC1 ZINC001164710920 720087046 /nfs/dbraw/zinc/08/70/46/720087046.db2.gz KIQOYJAJBSJADY-VWPQPMDRSA-N 1 0 414.550 2.053 20 0 HEADRO CCOc1ccc(C(=O)OC)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164811867 720129516 /nfs/dbraw/zinc/12/95/16/720129516.db2.gz NTYNHQPCTLQBOW-VGOFRKELSA-N 1 0 403.523 2.452 20 0 HEADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c(OC)c1 ZINC001164813219 720136378 /nfs/dbraw/zinc/13/63/78/720136378.db2.gz PVKXIXMATNVLAH-XMSQKQJNSA-N 1 0 403.523 2.452 20 0 HEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(CO)c1C(OC)OC)C2 ZINC001164819086 720149191 /nfs/dbraw/zinc/14/91/91/720149191.db2.gz VXUMEGPNISDLHT-GCJKJVERSA-N 1 0 405.539 2.050 20 0 HEADRO Cn1nnc2c1CCN(c1ccc(-c3ccccc3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713491 720171640 /nfs/dbraw/zinc/17/16/40/720171640.db2.gz LICPVOJOHQBKEU-NRFANRHFSA-N 1 0 419.533 2.488 20 0 HEADRO Cn1nnc2c1CCN([C@H](F)Oc1ccnc(Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716502 720173905 /nfs/dbraw/zinc/17/39/05/720173905.db2.gz FZNONISLOSZEJI-APWZRJJASA-N 1 0 424.908 2.207 20 0 HEADRO COc1ccc(Cl)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164717828 720186017 /nfs/dbraw/zinc/18/60/17/720186017.db2.gz MUKXUNLRYNVWBJ-HNNXBMFYSA-N 1 0 406.918 2.088 20 0 HEADRO COCCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001164819932 720194628 /nfs/dbraw/zinc/19/46/28/720194628.db2.gz ZCBNEQSVGSCECM-DENIHFKCSA-N 1 0 403.523 2.070 20 0 HEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CN(C)CC3)C2 ZINC001164811388 720196182 /nfs/dbraw/zinc/19/61/82/720196182.db2.gz GYHGEOAFLXYRSN-IIBYNOLFSA-N 1 0 405.974 2.303 20 0 HEADRO Cc1ccc(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)o1 ZINC001164713311 720200283 /nfs/dbraw/zinc/20/02/83/720200283.db2.gz AXIBVBPZRWNGKC-LJQANCHMSA-N 1 0 423.521 2.390 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3cccnc31)CCC2 ZINC001164814648 720216628 /nfs/dbraw/zinc/21/66/28/720216628.db2.gz VSIBDLOENKZUDX-UHFFFAOYSA-N 1 0 413.913 2.485 20 0 HEADRO CSc1nc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164814115 720217857 /nfs/dbraw/zinc/21/78/57/720217857.db2.gz UQRHAFOCIXYMOC-UHFFFAOYSA-N 1 0 409.947 2.054 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3ccncc3)ncn1)CCC2 ZINC001164813509 720239074 /nfs/dbraw/zinc/23/90/74/720239074.db2.gz OZCNTGMZGCOEBU-UHFFFAOYSA-N 1 0 405.506 2.346 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccncc3)nn1)CCC2 ZINC001164812333 720240765 /nfs/dbraw/zinc/24/07/65/720240765.db2.gz FSQLWMMPQPXSCP-UHFFFAOYSA-N 1 0 405.506 2.346 20 0 HEADRO COc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164821207 720284929 /nfs/dbraw/zinc/28/49/29/720284929.db2.gz ZDAUGJYQINULID-MSOLQXFVSA-N 1 0 416.570 2.217 20 0 HEADRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164821982 720294357 /nfs/dbraw/zinc/29/43/57/720294357.db2.gz MDFQQEATNZGMQV-MOPGFXCFSA-N 1 0 400.523 2.170 20 0 HEADRO CCOC(=O)c1cccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828223 720310697 /nfs/dbraw/zinc/31/06/97/720310697.db2.gz ZDEGHHCODLTMDX-OALUTQOASA-N 1 0 400.523 2.170 20 0 HEADRO CCOC(=O)c1cc(C)cnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164832483 720319119 /nfs/dbraw/zinc/31/91/19/720319119.db2.gz UCKKHZVWDCEDNL-VQTJNVASSA-N 1 0 414.550 2.478 20 0 HEADRO COC(=O)c1ccc(Cl)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164831930 720322263 /nfs/dbraw/zinc/32/22/63/720322263.db2.gz SEEVDEAWGLOQBU-ZWKOTPCHSA-N 1 0 420.941 2.433 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccnc(-c3cccnc3)n2)CC1 ZINC001164828959 720324233 /nfs/dbraw/zinc/32/42/33/720324233.db2.gz KXRBNKZOEZZRIP-VQTJNVASSA-N 1 0 406.534 2.450 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccnc(-c3cccnc3)n2)CC1 ZINC001164828958 720324527 /nfs/dbraw/zinc/32/45/27/720324527.db2.gz KXRBNKZOEZZRIP-UXHICEINSA-N 1 0 406.534 2.450 20 0 HEADRO COC(=O)c1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1C ZINC001164823853 720324674 /nfs/dbraw/zinc/32/46/74/720324674.db2.gz BKLDKIMBNJKTRU-OALUTQOASA-N 1 0 400.523 2.088 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(N3CCCCC3)n2)CC1 ZINC001164825466 720326951 /nfs/dbraw/zinc/32/69/51/720326951.db2.gz FGWYMURSZICHFL-UXHICEINSA-N 1 0 412.582 2.378 20 0 HEADRO COC(=O)c1ccc(C(F)(F)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc1Cl ZINC001164729870 720509762 /nfs/dbraw/zinc/50/97/62/720509762.db2.gz KDUFGZGHUNABDA-LBPRGKRZSA-N 1 0 413.856 2.461 20 0 HEADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164730615 720513412 /nfs/dbraw/zinc/51/34/12/720513412.db2.gz RXTRBZMTNSBEDD-LBPRGKRZSA-N 1 0 413.856 2.461 20 0 HEADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3S(C)(=O)=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834428 720524704 /nfs/dbraw/zinc/52/47/04/720524704.db2.gz GIUCVTWBMIGNCF-FGTMMUONSA-N 1 0 403.552 2.059 20 0 HEADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(N)=O)nc(C4CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843178 720650640 /nfs/dbraw/zinc/65/06/40/720650640.db2.gz UNTMZZZWFKBIMT-ZIFCJYIRSA-N 1 0 409.538 2.027 20 0 HEADRO CN1CC(=O)Nc2cnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc21 ZINC001164840382 720697816 /nfs/dbraw/zinc/69/78/16/720697816.db2.gz DIQAHIDPOHDLIP-GOSISDBHSA-N 1 0 422.533 2.125 20 0 HEADRO Cc1nc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164743177 720710751 /nfs/dbraw/zinc/71/07/51/720710751.db2.gz WQKMXSZRBNUEMY-VXGBXAGGSA-N 1 0 403.899 2.180 20 0 HEADRO CCNC(=O)c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164837661 720719359 /nfs/dbraw/zinc/71/93/59/720719359.db2.gz FYIMXFMOLYGZLX-IBGZPJMESA-N 1 0 409.534 2.486 20 0 HEADRO COc1cc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1OC ZINC001164743691 720722357 /nfs/dbraw/zinc/72/23/57/720722357.db2.gz XTKSHZZTJFHQKO-SJORKVTESA-N 1 0 407.474 2.384 20 0 HEADRO c1ccc2c(c1)CCc1cnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc1-2 ZINC001164738324 720741530 /nfs/dbraw/zinc/74/15/30/720741530.db2.gz FTYRKVMTEJUGIJ-RBUKOAKNSA-N 1 0 400.486 2.374 20 0 HEADRO c1ccc2c(c1)CCc1cnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc1-2 ZINC001164738327 720742006 /nfs/dbraw/zinc/74/20/06/720742006.db2.gz FTYRKVMTEJUGIJ-RTBURBONSA-N 1 0 400.486 2.374 20 0 HEADRO COC(=O)C[C@H](c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1)C1CC1 ZINC001164737931 720752259 /nfs/dbraw/zinc/75/22/59/720752259.db2.gz DMUSPLCQAFSWKH-ZVDOUQERSA-N 1 0 423.517 2.270 20 0 HEADRO COc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164740948 720757650 /nfs/dbraw/zinc/75/76/50/720757650.db2.gz LLCYHHXWMFFIIQ-MJGOQNOKSA-N 1 0 404.474 2.284 20 0 HEADRO c1cc(-c2nc3c(c(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)n2)CCC3)ccn1 ZINC001164743528 720788501 /nfs/dbraw/zinc/78/85/01/720788501.db2.gz GMTXKSZVTYSYPD-ROUUACIJSA-N 1 0 415.501 2.159 20 0 HEADRO c1cc(-c2nc(C3CC3)no2)cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742737 720798391 /nfs/dbraw/zinc/79/83/91/720798391.db2.gz DEOCLMJUJIMRQV-SJORKVTESA-N 1 0 405.462 2.141 20 0 HEADRO CN(C)c1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164752005 720809782 /nfs/dbraw/zinc/80/97/82/720809782.db2.gz YKHHZFLETUYOCU-IXDOHACOSA-N 1 0 416.961 2.167 20 0 HEADRO COc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741762 720811658 /nfs/dbraw/zinc/81/16/58/720811658.db2.gz BWSXNBCYBPUNRJ-BZUAXINKSA-N 1 0 403.918 2.110 20 0 HEADRO Fc1cc2c(cn1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745073 720820174 /nfs/dbraw/zinc/82/01/74/720820174.db2.gz VZZLGHJCFGELHC-TXPKVOOTSA-N 1 0 408.485 2.135 20 0 HEADRO Cc1nc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2n1C ZINC001164737340 720828926 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ZINC001164874465 721282808 /nfs/dbraw/zinc/28/28/08/721282808.db2.gz RYTAOTDLQBMGMJ-UHFFFAOYSA-N 1 0 404.555 2.123 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(COC4CCC4)cn3)CC2)C1 ZINC001164877327 721289622 /nfs/dbraw/zinc/28/96/22/721289622.db2.gz MNTVYLPVEPBLFY-UHFFFAOYSA-N 1 0 416.566 2.158 20 0 HEADRO O=C(NCc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)C[C@H]2OCC[C@H]21 ZINC001164878553 721305700 /nfs/dbraw/zinc/30/57/00/721305700.db2.gz LHJWSOFALQXXFT-BHDDXSALSA-N 1 0 421.545 2.230 20 0 HEADRO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3ncn4C)C2)C1 ZINC001164777331 721336711 /nfs/dbraw/zinc/33/67/11/721336711.db2.gz MABJHKULHSVDEV-NRFANRHFSA-N 1 0 411.510 2.087 20 0 HEADRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1NC(C)C ZINC001164890887 721379234 /nfs/dbraw/zinc/37/92/34/721379234.db2.gz OWNYUTGUZVWQLE-DENIHFKCSA-N 1 0 402.587 2.371 20 0 HEADRO Cc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1N1CCCC1 ZINC001164887219 721379302 /nfs/dbraw/zinc/37/93/02/721379302.db2.gz HIBXTJDVMFVVCB-OFNKIYASSA-N 1 0 414.598 2.151 20 0 HEADRO O=C(N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@H]2CCCO[C@@H]21)c1cccnc1 ZINC001164786945 721381346 /nfs/dbraw/zinc/38/13/46/721381346.db2.gz VKWIHGCALORXCF-XPNTWCBSSA-N 1 0 421.545 2.486 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)nc4)C3)O2)CC1 ZINC001164887769 721392205 /nfs/dbraw/zinc/39/22/05/721392205.db2.gz IGHSZHFYMVGHQJ-AEFFLSMTSA-N 1 0 415.916 2.440 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nn4)C3)O2)CC1 ZINC001164889262 721392831 /nfs/dbraw/zinc/39/28/31/721392831.db2.gz LJMJHUCJBZKOFM-QAPCUYQASA-N 1 0 415.916 2.440 20 0 HEADRO CSc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886200 721398715 /nfs/dbraw/zinc/39/87/15/721398715.db2.gz DQHSWHYTFBOIFM-KBXCAEBGSA-N 1 0 412.991 2.012 20 0 HEADRO CCOC(=O)c1cccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891133 721401919 /nfs/dbraw/zinc/40/19/19/721401919.db2.gz VHMCCCYVZQXEJY-PGRDOPGGSA-N 1 0 402.539 2.024 20 0 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CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)nc5[nH]4)C3)O2)CC1 ZINC001164897443 721427514 /nfs/dbraw/zinc/42/75/14/721427514.db2.gz UDKBKCKIMMFNEC-MGPUTAFESA-N 1 0 404.946 2.377 20 0 HEADRO CCOCc1cnc(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164899307 721428576 /nfs/dbraw/zinc/42/85/76/721428576.db2.gz YGPPGPPOPZSWLA-GHTZIAJQSA-N 1 0 423.989 2.432 20 0 HEADRO CC(=O)Nc1c(C)ccnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164889552 721429022 /nfs/dbraw/zinc/42/90/22/721429022.db2.gz BNXRVMKBLPULDP-DENIHFKCSA-N 1 0 401.555 2.114 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccccn5)ncn4)C3)O2)CC1 ZINC001164894857 721437916 /nfs/dbraw/zinc/43/79/16/721437916.db2.gz MSRZEOKWFWJRRD-AUSIDOKSSA-N 1 0 408.550 2.304 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccn5)nn4)C3)O2)CC1 ZINC001164895789 721441219 /nfs/dbraw/zinc/44/12/19/721441219.db2.gz PMYAFUOLNGZCKP-CVDCTZTESA-N 1 0 408.550 2.304 20 0 HEADRO c1cnn(C[C@H]2Cn3ccnc3CN(c3cccc(OCC[NH+]4CCCC4)n3)C2)c1 ZINC001164899430 721487153 /nfs/dbraw/zinc/48/71/53/721487153.db2.gz ZGXKVLPCJXVAOH-IBGZPJMESA-N 1 0 407.522 2.286 20 0 HEADRO CN1CC(=O)Nc2cnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc21 ZINC001164793024 721497194 /nfs/dbraw/zinc/49/71/94/721497194.db2.gz ZNIFHLKZOLCDLU-UHFFFAOYSA-N 1 0 407.522 2.141 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc(Oc4ccc(F)cc4)n2)CC3)CC1 ZINC001164796199 721519916 /nfs/dbraw/zinc/51/99/16/721519916.db2.gz XXUSSBLGMYLTMV-UHFFFAOYSA-N 1 0 423.496 2.372 20 0 HEADRO CCOC(=O)Cc1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164800585 721535934 /nfs/dbraw/zinc/53/59/34/721535934.db2.gz CNDQWUNAOQGKBE-JAXLGGSGSA-N 1 0 410.518 2.450 20 0 HEADRO COC(=O)c1c[nH]c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164905258 721540927 /nfs/dbraw/zinc/54/09/27/721540927.db2.gz HNBHEVAGELBCKT-HOCLYGCPSA-N 1 0 411.437 2.226 20 0 HEADRO CCOC(=O)Cc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164802418 721555598 /nfs/dbraw/zinc/55/55/98/721555598.db2.gz IPRQLGNBRDXVPI-JTAQYXEDSA-N 1 0 410.518 2.450 20 0 HEADRO COC(=O)CSc1cncc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909673 721558647 /nfs/dbraw/zinc/55/86/47/721558647.db2.gz UNUYALASVZOFKR-RDJZCZTQSA-N 1 0 418.494 2.223 20 0 HEADRO O=C1CSc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2N1 ZINC001164911425 721565973 /nfs/dbraw/zinc/56/59/73/721565973.db2.gz ZEDRCEZQBHSBKS-HIFRSBDPSA-N 1 0 401.467 2.002 20 0 HEADRO COC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164903758 721586781 /nfs/dbraw/zinc/58/67/81/721586781.db2.gz CBYGXNKLWLVQQL-IBGZPJMESA-N 1 0 403.433 2.396 20 0 HEADRO NC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906506 721697577 /nfs/dbraw/zinc/69/75/77/721697577.db2.gz NDRNYCDZYZRQNR-GOSISDBHSA-N 1 0 422.867 2.362 20 0 HEADRO c1cncc(CN2CCOC[C@@]3(CN(c4ncccc4C[NH+]4CCCC4)CCO3)C2)c1 ZINC001164915658 721800346 /nfs/dbraw/zinc/80/03/46/721800346.db2.gz XGPGGLNFBVTIKO-DEOSSOPVSA-N 1 0 423.561 2.180 20 0 HEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3C(N)=O)C[C@H]21 ZINC001165022101 721805730 /nfs/dbraw/zinc/80/57/30/721805730.db2.gz HYLVGGKYOXGFNR-IAOVAPTHSA-N 1 0 400.914 2.361 20 0 HEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc(Cl)c3C(N)=O)C[C@@H]21 ZINC001165018915 721816061 /nfs/dbraw/zinc/81/60/61/721816061.db2.gz AWBZETVGQIIFFZ-VNQPRFMTSA-N 1 0 400.914 2.361 20 0 HEADRO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(C[NH+](C)C)ccn4)CCO3)C2)cs1 ZINC001164920160 721833247 /nfs/dbraw/zinc/83/32/47/721833247.db2.gz BOVAVYMTJROANP-NRFANRHFSA-N 1 0 417.579 2.016 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001164925330 721852478 /nfs/dbraw/zinc/85/24/78/721852478.db2.gz DYNPNBXLOPKBQD-PKTZIBPZSA-N 1 0 406.578 2.250 20 0 HEADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c(Cl)n1 ZINC001164925207 721861412 /nfs/dbraw/zinc/86/14/12/721861412.db2.gz DLTLOLGSUPUMTQ-HUUCEWRRSA-N 1 0 402.873 2.281 20 0 HEADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164921068 721867238 /nfs/dbraw/zinc/86/72/38/721867238.db2.gz CFGQETCTZSSEHF-VXGBXAGGSA-N 1 0 402.326 2.175 20 0 HEADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164921050 721873186 /nfs/dbraw/zinc/87/31/86/721873186.db2.gz CCKGVJOONQPKDN-RTWAWAEBSA-N 1 0 410.566 2.230 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC001164932642 721880077 /nfs/dbraw/zinc/88/00/77/721880077.db2.gz JZNAUYHBEVRUOC-FCHUYYIVSA-N 1 0 421.593 2.018 20 0 HEADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(Cl)nc4C(N)=O)CC3)C2)cc1 ZINC001164939626 721928302 /nfs/dbraw/zinc/92/83/02/721928302.db2.gz NGLBWRFVPWXEHB-UHFFFAOYSA-N 1 0 415.925 2.409 20 0 HEADRO O=C([C@H]1COc2ccccc2O1)N1CCN(c2ncccc2C[NH+]2CCCC2)CC1 ZINC001165050226 721981905 /nfs/dbraw/zinc/98/19/05/721981905.db2.gz REOFXILFSRYXQB-OAQYLSRUSA-N 1 0 408.502 2.166 20 0 HEADRO O=C(N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CCCO[C@@H]12)c1cscn1 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CCCCCCn1cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c(=O)[nH]c1=O ZINC000769664317 1078503079 /nfs/dbraw/zinc/50/30/79/1078503079.db2.gz NQIWGASSIPFOHX-UHFFFAOYSA-N 1 0 414.572 2.024 20 0 HEADRO O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc2ncccc21 ZINC000769674162 1078514649 /nfs/dbraw/zinc/51/46/49/1078514649.db2.gz UIPFOGHFFQYVSV-AZUAARDMSA-N 1 0 411.527 2.396 20 0 HEADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1nccn2c(Br)cnc12 ZINC000769669590 1078509970 /nfs/dbraw/zinc/50/99/70/1078509970.db2.gz ZSDQAFZPFDESRV-UHFFFAOYSA-N 1 0 400.280 2.280 20 0 HEADRO C[C@@H](C[C@H](C)[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)NC(=O)OC(C)(C)C ZINC000769692313 1078521490 /nfs/dbraw/zinc/52/14/90/1078521490.db2.gz IAFZNJXTNDKTKY-ROUUACIJSA-N 1 0 419.570 2.402 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H]1CS(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000769755979 1078541738 /nfs/dbraw/zinc/54/17/38/1078541738.db2.gz OQRVBGAPCCVJJU-PMACEKPBSA-N 1 0 421.563 2.191 20 0 HEADRO CC1CC[NH+](CCc2cccc(NC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)c2)CC1 ZINC000769776438 1078551905 /nfs/dbraw/zinc/55/19/05/1078551905.db2.gz LPJIGNXKMLTJBT-BQYQJAHWSA-N 1 0 410.518 2.010 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000745618195 1078560561 /nfs/dbraw/zinc/56/05/61/1078560561.db2.gz VLSZYOLGSOOVRS-SFHVURJKSA-N 1 0 411.591 2.055 20 0 HEADRO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000769820124 1078561222 /nfs/dbraw/zinc/56/12/22/1078561222.db2.gz XWGHJYPHCBRNSG-JENIJYKNSA-N 1 0 401.511 2.305 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC000745670903 1078580850 /nfs/dbraw/zinc/58/08/50/1078580850.db2.gz KGRSTJUDMYHUSA-HXUWFJFHSA-N 1 0 404.507 2.248 20 0 HEADRO CC[C@H](C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)N1CCCC1=O ZINC000745698767 1078592270 /nfs/dbraw/zinc/59/22/70/1078592270.db2.gz PNDRKSLAXPCBMB-GOSISDBHSA-N 1 0 419.547 2.118 20 0 HEADRO O=c1n2ccccc2nn1CC[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769840048 1078601274 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C[C@@H](CNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl)C[NH+]1CCN(C)CC1 ZINC000745862962 1078678742 /nfs/dbraw/zinc/67/87/42/1078678742.db2.gz QRQUNRKUTCLCES-BBRMVZONSA-N 1 0 403.354 2.210 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[NH+](CC4CCOCC4)CC3)C2=O)cc1 ZINC000745879496 1078682779 /nfs/dbraw/zinc/68/27/79/1078682779.db2.gz SNEJPJPAZIAGJK-OAQYLSRUSA-N 1 0 414.550 2.244 20 0 HEADRO CN1CCC(CNC(=O)N2CCCC[C@@H]2CN2CCCC2=O)([NH+]2CCCCC2)CC1 ZINC000745878436 1078681893 /nfs/dbraw/zinc/68/18/93/1078681893.db2.gz OEMAQEYMYLTEGJ-HXUWFJFHSA-N 1 0 419.614 2.123 20 0 HEADRO CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000745880385 1078683597 /nfs/dbraw/zinc/68/35/97/1078683597.db2.gz AKVGSGREUGRXOB-FQEVSTJZSA-N 1 0 404.555 2.490 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(OCC[NH+](C)C)CC3)C2=O)cc1 ZINC000745886044 1078687533 /nfs/dbraw/zinc/68/75/33/1078687533.db2.gz ZZWBCHHEEIOECJ-FQEVSTJZSA-N 1 0 402.539 2.243 20 0 HEADRO O=C(NC[C@@H](O)c1c(F)cccc1F)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000770017600 1078688903 /nfs/dbraw/zinc/68/89/03/1078688903.db2.gz WBIOVVBYRUPWOL-LJQANCHMSA-N 1 0 417.456 2.391 20 0 HEADRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000770025583 1078692934 /nfs/dbraw/zinc/69/29/34/1078692934.db2.gz UVRBBVOMXWUAKO-IEBWSBKVSA-N 1 0 403.502 2.146 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@H](c4nccn4C)C3)cc2)CC1 ZINC000770037578 1078699369 /nfs/dbraw/zinc/69/93/69/1078699369.db2.gz ABLVWBYUNQROQJ-IBGZPJMESA-N 1 0 410.566 2.380 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)Oc2ccc(OCC[NH+]3CCCCC3)cc2)cn1C ZINC000745937095 1078703847 /nfs/dbraw/zinc/70/38/47/1078703847.db2.gz BDPPPGIBGUAZTF-UHFFFAOYSA-N 1 0 422.503 2.444 20 0 HEADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000745937905 1078704322 /nfs/dbraw/zinc/70/43/22/1078704322.db2.gz TWNAFIVMOQGJHB-OLZOCXBDSA-N 1 0 417.325 2.093 20 0 HEADRO CCN(CC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1)C(=O)OC(C)(C)C ZINC000745946044 1078705198 /nfs/dbraw/zinc/70/51/98/1078705198.db2.gz RCSXOFKXKRJTJW-FUHWJXTLSA-N 1 0 424.586 2.068 20 0 HEADRO CCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)cc2S1(=O)=O ZINC000770053158 1078706772 /nfs/dbraw/zinc/70/67/72/1078706772.db2.gz YTYFLWCJXGVVPE-IFXJQAMLSA-N 1 0 415.515 2.272 20 0 HEADRO COc1ccc([C@H](CNC(=O)NC[C@H](O)c2ccc(F)cc2)[NH+](C)C)cc1OC ZINC000770089321 1078715586 /nfs/dbraw/zinc/71/55/86/1078715586.db2.gz FCCJGXZQMMRJCS-ROUUACIJSA-N 1 0 405.470 2.478 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCO[C@@H](C)C3)cc2Cl)CC1 ZINC000770090495 1078716515 /nfs/dbraw/zinc/71/65/15/1078716515.db2.gz XAZZUQOCMONERK-RDJZCZTQSA-N 1 0 422.957 2.494 20 0 HEADRO O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000746010797 1078730335 /nfs/dbraw/zinc/73/03/35/1078730335.db2.gz CNZHOSHOMVNUKR-UHFFFAOYSA-N 1 0 422.481 2.445 20 0 HEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)C1 ZINC000746046686 1078756161 /nfs/dbraw/zinc/75/61/61/1078756161.db2.gz QAZCPHPUCWWDKM-CYBMUJFWSA-N 1 0 403.870 2.319 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)CCNC(=O)OCC(F)(F)F)c2)CC1 ZINC000770146830 1078747059 /nfs/dbraw/zinc/74/70/59/1078747059.db2.gz IKSUINPMOVITIH-UHFFFAOYSA-N 1 0 402.417 2.446 20 0 HEADRO CO[C@@]1(C)C[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1(C)C ZINC000746044459 1078753313 /nfs/dbraw/zinc/75/33/13/1078753313.db2.gz OYSDAAWEAUMWAU-AVRDEDQJSA-N 1 0 402.539 2.087 20 0 HEADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000746043937 1078753840 /nfs/dbraw/zinc/75/38/40/1078753840.db2.gz OEERBIMYWRLZIK-MSOLQXFVSA-N 1 0 402.495 2.301 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000770171803 1078766655 /nfs/dbraw/zinc/76/66/55/1078766655.db2.gz DVZXHTALXRHYFT-KRWDZBQOSA-N 1 0 404.555 2.467 20 0 HEADRO Cc1ccc2[nH]cc(CCC(=O)OCC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)c2c1 ZINC000746089634 1078782987 /nfs/dbraw/zinc/78/29/87/1078782987.db2.gz VHJKRBNNOYLMGR-LJQANCHMSA-N 1 0 415.534 2.425 20 0 HEADRO O=C(NCCNc1ccc(C(F)(F)F)cn1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746120141 1078796242 /nfs/dbraw/zinc/79/62/42/1078796242.db2.gz CVPCLTWHQLKUHQ-LJQANCHMSA-N 1 0 408.424 2.266 20 0 HEADRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C)c(S(N)(=O)=O)c3)CC2)c1 ZINC000746139936 1078803940 /nfs/dbraw/zinc/80/39/40/1078803940.db2.gz RSDYZWGNZOMKQX-UHFFFAOYSA-N 1 0 417.531 2.045 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cccnc2Br)CC1 ZINC000770281226 1078806420 /nfs/dbraw/zinc/80/64/20/1078806420.db2.gz PDEJNBZZEVYHAT-UHFFFAOYSA-N 1 0 405.300 2.313 20 0 HEADRO C[C@H]1C[N@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)CCN1c1nccn2cnnc12 ZINC000770283258 1078807431 /nfs/dbraw/zinc/80/74/31/1078807431.db2.gz WEFRWMUPEBCYAY-HOTGVXAUSA-N 1 0 401.515 2.034 20 0 HEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000770284169 1078807638 /nfs/dbraw/zinc/80/76/38/1078807638.db2.gz QUHSUGFZEFSJNP-IBGZPJMESA-N 1 0 409.552 2.143 20 0 HEADRO O=C(NCc1ccc(N2CCCCC2=O)cc1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746156506 1078808788 /nfs/dbraw/zinc/80/87/88/1078808788.db2.gz GZVBJKZYPFVEIL-DEOSSOPVSA-N 1 0 407.514 2.457 20 0 HEADRO Cc1cc(NC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000770254486 1078814070 /nfs/dbraw/zinc/81/40/70/1078814070.db2.gz RKHINDQRJPWIND-APWZRJJASA-N 1 0 415.542 2.169 20 0 HEADRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3nc(Cc4ccccc4)no3)c2)CC1 ZINC000746171302 1078809646 /nfs/dbraw/zinc/80/96/46/1078809646.db2.gz QFXFRWLRWPZPLW-UHFFFAOYSA-N 1 0 405.502 2.338 20 0 HEADRO CC[NH+]1CCN(CC(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000746172106 1078810057 /nfs/dbraw/zinc/81/00/57/1078810057.db2.gz GIEZMCHTRPKOII-LJQANCHMSA-N 1 0 408.587 2.262 20 0 HEADRO CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000746180912 1078811551 /nfs/dbraw/zinc/81/15/51/1078811551.db2.gz QGTFVBDOIZWDTQ-UHFFFAOYSA-N 1 0 408.495 2.490 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)n(C)c1 ZINC000746197287 1078816169 /nfs/dbraw/zinc/81/61/69/1078816169.db2.gz NNNSRPAVUOVXIW-KRWDZBQOSA-N 1 0 412.600 2.153 20 0 HEADRO O=C(NC1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1)Oc1ccccc1 ZINC000746205134 1078817907 /nfs/dbraw/zinc/81/79/07/1078817907.db2.gz LBKMQLNOZOSSEX-DEOSSOPVSA-N 1 0 423.513 2.403 20 0 HEADRO C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000746204419 1078817946 /nfs/dbraw/zinc/81/79/46/1078817946.db2.gz FYTWPYUPNNNGCH-LPHOPBHVSA-N 1 0 411.506 2.475 20 0 HEADRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)n1 ZINC001170014030 1078819076 /nfs/dbraw/zinc/81/90/76/1078819076.db2.gz MITLBZBJXVCUAX-SJORKVTESA-N 1 0 406.552 2.391 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000770298922 1078821528 /nfs/dbraw/zinc/82/15/28/1078821528.db2.gz MOSIPBWZKGIKQT-MSOLQXFVSA-N 1 0 408.587 2.166 20 0 HEADRO CCN(Cc1cccc(NC(=O)CN2CC[NH+](CC)CC2)c1)C(=O)C(F)(F)F ZINC000746210111 1078823302 /nfs/dbraw/zinc/82/33/02/1078823302.db2.gz JALNONRQKUPYKL-UHFFFAOYSA-N 1 0 400.445 2.173 20 0 HEADRO CC(C)[NH+]1CCN(C2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC000770301134 1078823794 /nfs/dbraw/zinc/82/37/94/1078823794.db2.gz SBVIQYKXDZWVGN-UHFFFAOYSA-N 1 0 423.602 2.150 20 0 HEADRO CN(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000746234331 1078827998 /nfs/dbraw/zinc/82/79/98/1078827998.db2.gz CVBHDIRBBHMVKD-QHCPKHFHSA-N 1 0 417.550 2.481 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000746236381 1078828298 /nfs/dbraw/zinc/82/82/98/1078828298.db2.gz GVMWEHNBHDFMJK-SFHVURJKSA-N 1 0 417.554 2.109 20 0 HEADRO C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000770324397 1078828546 /nfs/dbraw/zinc/82/85/46/1078828546.db2.gz JSTIERRCSNWFMG-UHFFFAOYSA-N 1 0 403.589 2.379 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000770361947 1078830544 /nfs/dbraw/zinc/83/05/44/1078830544.db2.gz LWOJVWZQHRSFHS-ROUUACIJSA-N 1 0 401.555 2.200 20 0 HEADRO Cc1ccc(C)c(N2N=C(C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)CCC2=O)c1 ZINC000770371235 1078832507 /nfs/dbraw/zinc/83/25/07/1078832507.db2.gz UPOMLYLZVWICJX-SFHVURJKSA-N 1 0 400.523 2.139 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000770342225 1078837110 /nfs/dbraw/zinc/83/71/10/1078837110.db2.gz FRGRBHKHZPTJAI-IBGZPJMESA-N 1 0 417.554 2.119 20 0 HEADRO CC(=O)N1CCC([NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000770356074 1078839850 /nfs/dbraw/zinc/83/98/50/1078839850.db2.gz RQAAFKOWWSLJPF-UHFFFAOYSA-N 1 0 423.355 2.016 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCC2CCOCC2)C[C@H]1C(=O)N1CCSC1 ZINC001170014360 1078841599 /nfs/dbraw/zinc/84/15/99/1078841599.db2.gz OSFMIQSNPFEHLL-SJORKVTESA-N 1 0 413.584 2.304 20 0 HEADRO COC(=O)N1CC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000770394382 1078841643 /nfs/dbraw/zinc/84/16/43/1078841643.db2.gz BJTNKAFQLPABNM-CQSZACIVSA-N 1 0 400.401 2.030 20 0 HEADRO O=C(/C=C(/Br)C(=O)OCCN1CCCCC1)OCC[NH+]1CCCCC1 ZINC000770419061 1078845915 /nfs/dbraw/zinc/84/59/15/1078845915.db2.gz PWAMKFJUGJLTIK-FOCLMDBBSA-N 1 0 417.344 2.323 20 0 HEADRO Cc1ccc(N2CC[C@@H](NC(=O)CC[NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000746298537 1078846367 /nfs/dbraw/zinc/84/63/67/1078846367.db2.gz FTTYRQOISLLRAK-JOCHJYFZSA-N 1 0 406.530 2.429 20 0 HEADRO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000770387364 1078849654 /nfs/dbraw/zinc/84/96/54/1078849654.db2.gz PKNCGFBDFPMDOB-GDBMZVCRSA-N 1 0 401.433 2.491 20 0 HEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000766341422 1078857705 /nfs/dbraw/zinc/85/77/05/1078857705.db2.gz AEILFQVZMIOCAY-HNNXBMFYSA-N 1 0 404.561 2.153 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCCCCCO)C[C@H]1C(=O)N1CCSC1 ZINC001170014682 1078859656 /nfs/dbraw/zinc/85/96/56/1078859656.db2.gz PTZAXUVOIDBNHB-HOTGVXAUSA-N 1 0 401.573 2.040 20 0 HEADRO C[NH+](C)[C@H]1Cc2ccccc2N(CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000766342295 1078861482 /nfs/dbraw/zinc/86/14/82/1078861482.db2.gz XXNWBYDBJVYOQB-AOMKIAJQSA-N 1 0 400.523 2.205 20 0 HEADRO C[NH+](C)[C@@H]1Cc2ccccc2N(CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000766342298 1078861522 /nfs/dbraw/zinc/86/15/22/1078861522.db2.gz XXNWBYDBJVYOQB-OPAMFIHVSA-N 1 0 400.523 2.205 20 0 HEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1 ZINC000746338930 1078864539 /nfs/dbraw/zinc/86/45/39/1078864539.db2.gz BIOHZMASRUSKKS-AWEZNQCLSA-N 1 0 422.576 2.148 20 0 HEADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000746339182 1078864566 /nfs/dbraw/zinc/86/45/66/1078864566.db2.gz KCUJGQUTGXVTNW-KRWDZBQOSA-N 1 0 414.472 2.356 20 0 HEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000746340259 1078866419 /nfs/dbraw/zinc/86/64/19/1078866419.db2.gz XXPXLRPWTGPBSG-INIZCTEOSA-N 1 0 400.445 2.443 20 0 HEADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)n1 ZINC000746364864 1078876482 /nfs/dbraw/zinc/87/64/82/1078876482.db2.gz VQEWEADQYXJFAR-INIZCTEOSA-N 1 0 419.913 2.107 20 0 HEADRO O=C(/C=C\c1cncc(O)c1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000770482942 1078876641 /nfs/dbraw/zinc/87/66/41/1078876641.db2.gz BVTIQPHIVKKVCG-HCZHMGAMSA-N 1 0 407.518 2.256 20 0 HEADRO Cn1c2nn(CN3CC[C@@H](C[N@H+](C)CC4CC4)C3)c(=S)n2c2ccccc2c1=O ZINC000746382744 1078887593 /nfs/dbraw/zinc/88/75/93/1078887593.db2.gz NXOGILUBXLGXNN-INIZCTEOSA-N 1 0 412.563 2.338 20 0 HEADRO Cc1cc(C)n(CC[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)n1 ZINC001170015208 1078880246 /nfs/dbraw/zinc/88/02/46/1078880246.db2.gz UJDCZPMYVDCQDE-IRXDYDNUSA-N 1 0 423.583 2.000 20 0 HEADRO Cn1cc(C[C@H]2CC(=O)N(CN3CCC[C@@H](c4nc5ccccc5o4)C3)C2=O)cn1 ZINC000746373934 1078880869 /nfs/dbraw/zinc/88/08/69/1078880869.db2.gz DIMHBBMZRNRELO-SJORKVTESA-N 1 0 407.474 2.316 20 0 HEADRO COc1ccc(OC)c(-n2nnn(CN3CC[C@@H](C[N@H+](C)CC4CC4)C3)c2=S)c1 ZINC000746384255 1078888834 /nfs/dbraw/zinc/88/88/34/1078888834.db2.gz XTZCCCCEEYZFGK-INIZCTEOSA-N 1 0 418.567 2.437 20 0 HEADRO C[C@H](OC(=O)c1ccc(-c2nc[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000770565672 1078892881 /nfs/dbraw/zinc/89/28/81/1078892881.db2.gz LVBIUWMDYYTWDI-OXJNMPFZSA-N 1 0 419.485 2.408 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000770590463 1078899547 /nfs/dbraw/zinc/89/95/47/1078899547.db2.gz NHJQGHVHXIEJPH-XJKSGUPXSA-N 1 0 403.354 2.352 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000770592146 1078899970 /nfs/dbraw/zinc/89/99/70/1078899970.db2.gz BGSZWXYWIPRDDW-SUMWQHHRSA-N 1 0 403.354 2.352 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000770593281 1078900075 /nfs/dbraw/zinc/90/00/75/1078900075.db2.gz ZHZCAKBUMIHRRL-KZNAEPCWSA-N 1 0 411.591 2.100 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)CC1 ZINC001168782121 1078905457 /nfs/dbraw/zinc/90/54/57/1078905457.db2.gz KZFMVQKOQOCIGP-IQWMQGJTSA-N 1 0 417.550 2.107 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000770603208 1078912109 /nfs/dbraw/zinc/91/21/09/1078912109.db2.gz HECZLMJTMGNMMU-AVRDEDQJSA-N 1 0 423.602 2.055 20 0 HEADRO COCC[N@@H+]1CCCN(C(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766354105 1078909319 /nfs/dbraw/zinc/90/93/19/1078909319.db2.gz FBGAPLXZOJHHLM-FQEVSTJZSA-N 1 0 403.523 2.216 20 0 HEADRO COC(=O)c1c(F)ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1F ZINC000746402962 1078900364 /nfs/dbraw/zinc/90/03/64/1078900364.db2.gz JEBLUYDRTYKBHR-UHFFFAOYSA-N 1 0 416.446 2.405 20 0 HEADRO CCCCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000770607239 1078914232 /nfs/dbraw/zinc/91/42/32/1078914232.db2.gz PDRKDVBRNFJNNO-VQTJNVASSA-N 1 0 409.619 2.131 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000766363102 1078924490 /nfs/dbraw/zinc/92/44/90/1078924490.db2.gz CGFNRAFYXPGNBD-NRFANRHFSA-N 1 0 417.550 2.015 20 0 HEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000770658631 1078922650 /nfs/dbraw/zinc/92/26/50/1078922650.db2.gz NDCGAPPJXULVDJ-KRWDZBQOSA-N 1 0 422.547 2.440 20 0 HEADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000770650467 1078938261 /nfs/dbraw/zinc/93/82/61/1078938261.db2.gz DJMOVXNNNCFPFW-OAQYLSRUSA-N 1 0 402.564 2.460 20 0 HEADRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C[C@H]1C ZINC000766374304 1078942732 /nfs/dbraw/zinc/94/27/32/1078942732.db2.gz NCCAURDRYFTKEG-VTJXTGGHSA-N 1 0 400.479 2.346 20 0 HEADRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C[C@@H]1C ZINC000766374300 1078942795 /nfs/dbraw/zinc/94/27/95/1078942795.db2.gz NCCAURDRYFTKEG-LRAJWGHMSA-N 1 0 400.479 2.346 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000770657553 1078943342 /nfs/dbraw/zinc/94/33/42/1078943342.db2.gz NNFPGQWKUQJYCF-BEFAXECRSA-N 1 0 404.532 2.325 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cnn(C)c1C1CC1)c1cccc(OC)c1 ZINC000770725066 1078951166 /nfs/dbraw/zinc/95/11/66/1078951166.db2.gz JSZHMGIUFAENFZ-IBGZPJMESA-N 1 0 413.522 2.444 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)COc3ccccc3)c2)CC1 ZINC000770724631 1078951945 /nfs/dbraw/zinc/95/19/45/1078951945.db2.gz ICIXJYVKRHMCGW-SFHVURJKSA-N 1 0 410.518 2.351 20 0 HEADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CCCO1 ZINC000770731470 1078956738 /nfs/dbraw/zinc/95/67/38/1078956738.db2.gz DYQUUPKYVPUSLO-UYAOXDASSA-N 1 0 403.523 2.262 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)CCCOC1 ZINC000770694275 1078962863 /nfs/dbraw/zinc/96/28/63/1078962863.db2.gz XPTVDWWNDXLBKW-QFIPXVFZSA-N 1 0 414.506 2.438 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3COc4ccccc4C3)c2)CC1 ZINC000770712887 1078980351 /nfs/dbraw/zinc/98/03/51/1078980351.db2.gz QUSHWDRKBXVOTD-SFHVURJKSA-N 1 0 422.529 2.135 20 0 HEADRO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)CC2)c(F)c1 ZINC000746453878 1078984168 /nfs/dbraw/zinc/98/41/68/1078984168.db2.gz OJKGXKCRSFFZBX-GOSISDBHSA-N 1 0 413.497 2.280 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000746454857 1078985557 /nfs/dbraw/zinc/98/55/57/1078985557.db2.gz QUKQCRNVJQFNAX-QGZVFWFLSA-N 1 0 416.522 2.374 20 0 HEADRO COc1ccc([C@@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C(C)C)cc1 ZINC001168785827 1078990223 /nfs/dbraw/zinc/99/02/23/1078990223.db2.gz TZWRPHAENZBNJO-SFHVURJKSA-N 1 0 403.445 2.461 20 0 HEADRO CN(CC(=O)NCCCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1C=O ZINC000746448353 1078990282 /nfs/dbraw/zinc/99/02/82/1078990282.db2.gz JVOLDNGPPSSOFR-UHFFFAOYSA-N 1 0 401.429 2.183 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)cc1F ZINC000746449841 1078991042 /nfs/dbraw/zinc/99/10/42/1078991042.db2.gz ILSLADWMMUHTRY-ORAYPTAESA-N 1 0 420.460 2.337 20 0 HEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC001168791239 1078992417 /nfs/dbraw/zinc/99/24/17/1078992417.db2.gz GBASPMIFFSCFKG-GOEBONIOSA-N 1 0 409.741 2.203 20 0 HEADRO O=S(=O)(CC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)N1CCOCC1 ZINC000766463230 1079013275 /nfs/dbraw/zinc/01/32/75/1079013275.db2.gz KFSFLFFXHOYDAD-UHFFFAOYSA-N 1 0 408.495 2.156 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)C1 ZINC000770797021 1079021535 /nfs/dbraw/zinc/02/15/35/1079021535.db2.gz YQQWRHSFXCAHHH-WBVHZDCISA-N 1 0 416.522 2.332 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000770799608 1079022337 /nfs/dbraw/zinc/02/23/37/1079022337.db2.gz IDFCKDBQYSEFBK-LJQANCHMSA-N 1 0 415.582 2.004 20 0 HEADRO COC(=O)N1CCC([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000766490071 1079029156 /nfs/dbraw/zinc/02/91/56/1079029156.db2.gz YYFWJJYVOMOZSS-UHFFFAOYSA-N 1 0 410.414 2.179 20 0 HEADRO CN(C)c1ncc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 ZINC000766490005 1079029217 /nfs/dbraw/zinc/02/92/17/1079029217.db2.gz YAPPILIJNWFQRD-UHFFFAOYSA-N 1 0 404.414 2.005 20 0 HEADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2Cn3nnc(-c4cccnc4)c3CO2)CN1C(=O)OC(C)(C)C ZINC001168807900 1079044077 /nfs/dbraw/zinc/04/40/77/1079044077.db2.gz PLQZPIWYSJPHGM-HYVNUMGLSA-N 1 0 414.510 2.226 20 0 HEADRO COc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1S(=O)(=O)NC(C)(C)C ZINC001168799398 1079039787 /nfs/dbraw/zinc/03/97/87/1079039787.db2.gz SYFGMUBXPMATKT-UHFFFAOYSA-N 1 0 411.568 2.328 20 0 HEADRO C[N@@H+]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CCC1(C)C ZINC001168799396 1079039831 /nfs/dbraw/zinc/03/98/31/1079039831.db2.gz SVIZYZIQNOARGT-UHFFFAOYSA-N 1 0 407.312 2.102 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1 ZINC000746482660 1079041261 /nfs/dbraw/zinc/04/12/61/1079041261.db2.gz JPGIJJPANXKWMI-LJQANCHMSA-N 1 0 401.532 2.235 20 0 HEADRO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)NC[C@H](C)[NH+]3CCCCC3)CC2)c1 ZINC000770834421 1079052264 /nfs/dbraw/zinc/05/22/64/1079052264.db2.gz TUYAKVNCLREISF-FQEVSTJZSA-N 1 0 416.566 2.410 20 0 HEADRO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)CN1C(=O)OC(C)(C)C ZINC001168860672 1079055645 /nfs/dbraw/zinc/05/56/45/1079055645.db2.gz WEJYDGYNHIFEMJ-IDVKNYFZSA-N 1 0 422.570 2.138 20 0 HEADRO 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 ZINC001168861843 1079056823 /nfs/dbraw/zinc/05/68/23/1079056823.db2.gz AMYCHELKSFRXBU-DNCCFGNJSA-N 1 0 420.510 2.034 20 0 HEADRO C[C@@H]1C[C@@H](n2nc(C(=O)NCC3CC3)c3c2CC[NH2+]C3)CN1C(=O)OC(C)(C)C ZINC001168862073 1079056849 /nfs/dbraw/zinc/05/68/49/1079056849.db2.gz COCMOMUHMIBXKE-UKRRQHHQSA-N 1 0 403.527 2.239 20 0 HEADRO CNS(=O)(=O)c1ccc(C(=O)OC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000770882654 1079059055 /nfs/dbraw/zinc/05/90/55/1079059055.db2.gz LAKQKKPWYQTZLA-HXUWFJFHSA-N 1 0 403.504 2.201 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]C3CCN(C(=O)N4CCCC4)CC3)CC2=O)cc1 ZINC001168891515 1079062969 /nfs/dbraw/zinc/06/29/69/1079062969.db2.gz GUJHXPIZIXAJGW-FQEVSTJZSA-N 1 0 414.550 2.456 20 0 HEADRO C[C@H]1C[C@H]([NH+]2CCC(N3CCCCS3(=O)=O)CC2)CN1C(=O)OC(C)(C)C ZINC001168877960 1079066174 /nfs/dbraw/zinc/06/61/74/1079066174.db2.gz ANDHZQZNDUUADB-RDJZCZTQSA-N 1 0 401.573 2.274 20 0 HEADRO COC(=O)c1cc(NCCC2CCC2)nc(Oc2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001168887091 1079068739 /nfs/dbraw/zinc/06/87/39/1079068739.db2.gz RCBLCKHEGLGKBE-UHFFFAOYSA-N 1 0 412.494 2.462 20 0 HEADRO CC[NH+]1CCC(NC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000766534411 1079070820 /nfs/dbraw/zinc/07/08/20/1079070820.db2.gz PNWQNBJLPJYSPW-UHFFFAOYSA-N 1 0 423.457 2.142 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000766536377 1079071693 /nfs/dbraw/zinc/07/16/93/1079071693.db2.gz WIMFYPNTXBDFMR-OLZOCXBDSA-N 1 0 423.457 2.141 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@H+]3C[C@H]4CN(C(=O)c5ccco5)C[C@H]4C3)CC2=O)cc1 ZINC001168937527 1079079705 /nfs/dbraw/zinc/07/97/05/1079079705.db2.gz ZGGBRIZWPNMALR-ZCNNSNEGSA-N 1 0 423.513 2.483 20 0 HEADRO CCC[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC[N@@H+]1CCOC ZINC000766538766 1079073162 /nfs/dbraw/zinc/07/31/62/1079073162.db2.gz YMELVTJCMKLYEH-INIZCTEOSA-N 1 0 409.914 2.025 20 0 HEADRO COc1ccc(CN2CC[C@H](N(c3ccccc3C[NH3+])S(C)(=O)=O)CC2=O)cc1 ZINC001168910694 1079073536 /nfs/dbraw/zinc/07/35/36/1079073536.db2.gz ZACYGEUROALDKN-SFHVURJKSA-N 1 0 417.531 2.111 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000766539546 1079073951 /nfs/dbraw/zinc/07/39/51/1079073951.db2.gz BSYHERNWAGFWAX-LMMKCTJWSA-N 1 0 422.595 2.432 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000766539545 1079074008 /nfs/dbraw/zinc/07/40/08/1079074008.db2.gz BSYHERNWAGFWAX-AOIWGVFYSA-N 1 0 422.595 2.432 20 0 HEADRO C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000770911097 1079075030 /nfs/dbraw/zinc/07/50/30/1079075030.db2.gz DIMYURIYFHANSV-APWZRJJASA-N 1 0 417.531 2.399 20 0 HEADRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(I)c(O)c3)C[C@@]2(C)C1 ZINC001168932364 1079077700 /nfs/dbraw/zinc/07/77/00/1079077700.db2.gz UAUOLOOOAHQQHD-HZPDHXFCSA-N 1 0 400.260 2.411 20 0 HEADRO C[NH+]1C[C@]2(C)CN(C(=O)CCCCOc3ccc(S(C)(=O)=O)cc3)C[C@@]2(C)C1 ZINC001168933553 1079078495 /nfs/dbraw/zinc/07/84/95/1079078495.db2.gz YJXYISKGKMKMCZ-NHCUHLMSSA-N 1 0 408.564 2.439 20 0 HEADRO CS[C@H]1CN(CC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)C[C@H]1[NH+](C)C ZINC001168934406 1079078497 /nfs/dbraw/zinc/07/84/97/1079078497.db2.gz WOYVCTQLOCCDKF-UXHICEINSA-N 1 0 415.607 2.393 20 0 HEADRO CC(=O)N1CC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)CC12CCCCC2 ZINC001168942205 1079081454 /nfs/dbraw/zinc/08/14/54/1079081454.db2.gz VBXKLLFSPIQRJX-UHFFFAOYSA-N 1 0 413.518 2.166 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(c4ncccc4OC)CC3)CC2=O)cc1 ZINC001168945087 1079082932 /nfs/dbraw/zinc/08/29/32/1079082932.db2.gz DVVPFHFJYHEPNC-IBGZPJMESA-N 1 0 410.518 2.412 20 0 HEADRO COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H](O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC001168951250 1079085226 /nfs/dbraw/zinc/08/52/26/1079085226.db2.gz YRNZNDBDNIUVRT-APWZRJJASA-N 1 0 410.474 2.487 20 0 HEADRO CCNC(=O)c1cc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c(C)s1 ZINC001168978994 1079088908 /nfs/dbraw/zinc/08/89/08/1079088908.db2.gz MKYLIHRJICSVEU-UHFFFAOYSA-N 1 0 401.536 2.352 20 0 HEADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)c2)CC1 ZINC000746194256 1079097674 /nfs/dbraw/zinc/09/76/74/1079097674.db2.gz LVKYFCPXIMDDAS-IBGZPJMESA-N 1 0 416.566 2.421 20 0 HEADRO COC[C@H]1CCCC[N@H+](C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1 ZINC001169006121 1079098124 /nfs/dbraw/zinc/09/81/24/1079098124.db2.gz YYJOVCLKCLHXQR-PKOBYXMFSA-N 1 0 417.506 2.147 20 0 HEADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001169042010 1079108865 /nfs/dbraw/zinc/10/88/65/1079108865.db2.gz VVJFHMTUFNTPNY-ROUUACIJSA-N 1 0 419.934 2.104 20 0 HEADRO CCOC(=O)[C@H](Nc1ccc2[nH]c[nH+]c2c1C)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169045696 1079114084 /nfs/dbraw/zinc/11/40/84/1079114084.db2.gz ZIHCGYKEFMORMC-MOPGFXCFSA-N 1 0 417.487 2.352 20 0 HEADRO CCN1CCC([NH+]2CCC(C(=O)N[C@](C)(CO)Cc3ccc(F)cc3)CC2)CC1 ZINC001169104193 1079130493 /nfs/dbraw/zinc/13/04/93/1079130493.db2.gz QETKLOFCZXLYCB-QHCPKHFHSA-N 1 0 405.558 2.432 20 0 HEADRO COc1ccc([C@H](CNC(=O)COC(=O)[C@H]2CCO[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000771078900 1079133175 /nfs/dbraw/zinc/13/31/75/1079133175.db2.gz REDAJEYORMZGRQ-UXPWSPDFSA-N 1 0 404.507 2.307 20 0 HEADRO 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 ZINC000766584184 1079134241 /nfs/dbraw/zinc/13/42/41/1079134241.db2.gz SGDMLZGRQRJHBV-BMQTXXJKSA-N 1 0 414.550 2.181 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)OC(C)(C)C)nc3)CC[C@H]21 ZINC000766585053 1079135041 /nfs/dbraw/zinc/13/50/41/1079135041.db2.gz PAFMXJWBZDFPNT-GOEBONIOSA-N 1 0 417.510 2.310 20 0 HEADRO CCN1CCC([NH+]2CCC(C(=O)N[C@@](C)(CO)Cc3ccccc3OC)CC2)CC1 ZINC001169091701 1079139232 /nfs/dbraw/zinc/13/92/32/1079139232.db2.gz BEUXSAMJQWVWJL-XMMPIXPASA-N 1 0 417.594 2.301 20 0 HEADRO CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001169117440 1079141785 /nfs/dbraw/zinc/14/17/85/1079141785.db2.gz KHWRWDSUKWKYPI-RTWAWAEBSA-N 1 0 417.550 2.385 20 0 HEADRO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000766597612 1079144362 /nfs/dbraw/zinc/14/43/62/1079144362.db2.gz CFBUJOYBWAQSFV-RBUKOAKNSA-N 1 0 402.539 2.087 20 0 HEADRO CSc1ccc([C@H](O)[C@H](CO)Nc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)cc1 ZINC001169088969 1079138279 /nfs/dbraw/zinc/13/82/79/1079138279.db2.gz CEWDYVLLUKQWRO-SFTDATJTSA-N 1 0 415.559 2.478 20 0 HEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000766602160 1079149562 /nfs/dbraw/zinc/14/95/62/1079149562.db2.gz BYCIYHKFGPRZJI-VXKWHMMOSA-N 1 0 424.545 2.274 20 0 HEADRO CN1[C@H]2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169133203 1079152158 /nfs/dbraw/zinc/15/21/58/1079152158.db2.gz CSMGRNRPJCUZOU-PJVZLEMVSA-N 1 0 405.564 2.158 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H](OC)C3(CC)CC)cc2)CC1 ZINC000766605595 1079156757 /nfs/dbraw/zinc/15/67/57/1079156757.db2.gz UMFIMEAOSSQEMJ-WOJBJXKFSA-N 1 0 416.566 2.477 20 0 HEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CCCO1 ZINC000739083235 1079160327 /nfs/dbraw/zinc/16/03/27/1079160327.db2.gz YDCOABGHJSMOAT-KRWDZBQOSA-N 1 0 402.539 2.041 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1c(F)cccc1F ZINC001169161534 1079170378 /nfs/dbraw/zinc/17/03/78/1079170378.db2.gz PCGNMUSCUZVIBQ-ZDUSSCGKSA-N 1 0 405.449 2.061 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc(F)c(F)cc1F ZINC001169161817 1079171080 /nfs/dbraw/zinc/17/10/80/1079171080.db2.gz GSMZIDSSOYABAH-LBPRGKRZSA-N 1 0 423.439 2.200 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1cccc(Cl)c1 ZINC001169164578 1079172923 /nfs/dbraw/zinc/17/29/23/1079172923.db2.gz VXZAQODRXKGDTK-OAHLLOKOSA-N 1 0 417.941 2.478 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001169191705 1079179610 /nfs/dbraw/zinc/17/96/10/1079179610.db2.gz NWPMFCXRHFEROO-QZTJIDSGSA-N 1 0 423.561 2.387 20 0 HEADRO Cc1cc([C@H]2CCC[N@H+]2[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)no1 ZINC001169191366 1079179653 /nfs/dbraw/zinc/17/96/53/1079179653.db2.gz MPBNJKISQXDRJC-WMLDXEAASA-N 1 0 414.510 2.126 20 0 HEADRO CN(C[C@@](C)(O)C[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1)C(=O)OC(C)(C)C ZINC001169165877 1079174129 /nfs/dbraw/zinc/17/41/29/1079174129.db2.gz ZTRKCGFKLLOGKU-KSFYIVLOSA-N 1 0 418.538 2.137 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1nccc2ccccc21 ZINC001169167548 1079175840 /nfs/dbraw/zinc/17/58/40/1079175840.db2.gz JFSDHGGRFRNSCF-MRXNPFEDSA-N 1 0 420.517 2.331 20 0 HEADRO CCOc1ccc(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC001169168101 1079176548 /nfs/dbraw/zinc/17/65/48/1079176548.db2.gz MJQYGXOHRNTMSX-INIZCTEOSA-N 1 0 413.522 2.181 20 0 HEADRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CCOCC2)C1)C1CCCC1 ZINC001169187628 1079177206 /nfs/dbraw/zinc/17/72/06/1079177206.db2.gz JIDYBZHDVAHLFO-MSOLQXFVSA-N 1 0 420.554 2.010 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(OC2CCC2)CC1 ZINC001169190645 1079178317 /nfs/dbraw/zinc/17/83/17/1079178317.db2.gz IUBPJECNOJGLIT-INIZCTEOSA-N 1 0 417.554 2.026 20 0 HEADRO [NH3+]Cc1cccc2c1cnn2-c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC001169192438 1079180392 /nfs/dbraw/zinc/18/03/92/1079180392.db2.gz KSSWCWPYZHYMPY-UHFFFAOYSA-N 1 0 413.474 2.305 20 0 HEADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2nnc3ccc(C[NH3+])cc32)nc1 ZINC001170022316 1079182248 /nfs/dbraw/zinc/18/22/48/1079182248.db2.gz QMWAJAHMURRZDX-UHFFFAOYSA-N 1 0 408.487 2.489 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCCc2ccncc21 ZINC001169194729 1079182229 /nfs/dbraw/zinc/18/22/29/1079182229.db2.gz DHXSHOJLIPPKFB-MAUKXSAKSA-N 1 0 410.522 2.055 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2ccsc2C1 ZINC001169200816 1079182972 /nfs/dbraw/zinc/18/29/72/1079182972.db2.gz CLZDZFHMPZMIRT-CQSZACIVSA-N 1 0 401.536 2.112 20 0 HEADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169170649 1079185979 /nfs/dbraw/zinc/18/59/79/1079185979.db2.gz ZIJMDAJIDQFHBX-JKSUJKDBSA-N 1 0 415.513 2.352 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1ccc(Cl)cc1 ZINC001169170545 1079186215 /nfs/dbraw/zinc/18/62/15/1079186215.db2.gz XODAHLYNZJQSRC-OAHLLOKOSA-N 1 0 417.941 2.478 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1c(F)cc(F)cc1F ZINC001169173062 1079188163 /nfs/dbraw/zinc/18/81/63/1079188163.db2.gz YIHKIBLEHDMZDK-LBPRGKRZSA-N 1 0 423.439 2.200 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001169176650 1079190119 /nfs/dbraw/zinc/19/01/19/1079190119.db2.gz OQDOXNPZFJVBPU-RDTXWAMCSA-N 1 0 413.497 2.409 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001169175257 1079189252 /nfs/dbraw/zinc/18/92/52/1079189252.db2.gz LJMDJRORPHPMEU-CRAIPNDOSA-N 1 0 410.522 2.128 20 0 HEADRO CC[N@H+](CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C(C)C ZINC000771140977 1079190537 /nfs/dbraw/zinc/19/05/37/1079190537.db2.gz KYDLLQDJAXYETA-IBGZPJMESA-N 1 0 412.893 2.093 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCc2c1cccc2F ZINC001169177215 1079191251 /nfs/dbraw/zinc/19/12/51/1079191251.db2.gz QHCJYMSVNKCUMC-RDTXWAMCSA-N 1 0 413.497 2.409 20 0 HEADRO CC(C)[C@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccnc1 ZINC001169178566 1079192396 /nfs/dbraw/zinc/19/23/96/1079192396.db2.gz ZFSSCQPKFHFMBQ-WMZOPIPTSA-N 1 0 412.538 2.374 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CC2(C1)CC(F)(F)C2 ZINC001169180462 1079193215 /nfs/dbraw/zinc/19/32/15/1079193215.db2.gz GBOPOHMNIPQXDD-CYBMUJFWSA-N 1 0 409.481 2.160 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1cccc(F)c1F ZINC001169213722 1079197354 /nfs/dbraw/zinc/19/73/54/1079197354.db2.gz SFQLOAUCRIWEBN-CQSZACIVSA-N 1 0 419.476 2.403 20 0 HEADRO C[NH+](C)CCOCCNC(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000771195305 1079197884 /nfs/dbraw/zinc/19/78/84/1079197884.db2.gz RKPKTVGBFPFUKP-UHFFFAOYSA-N 1 0 424.546 2.155 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C1CCC1)C1CCOCC1 ZINC001169215576 1079198777 /nfs/dbraw/zinc/19/87/77/1079198777.db2.gz AGUZKRUFYOVVOO-MRXNPFEDSA-N 1 0 417.554 2.026 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)CC1 ZINC000771174962 1079209046 /nfs/dbraw/zinc/20/90/46/1079209046.db2.gz BBRLKLMVRWZQGS-UHFFFAOYSA-N 1 0 413.541 2.497 20 0 HEADRO COCCNc1nn(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(=S)s1 ZINC000771175744 1079209674 /nfs/dbraw/zinc/20/96/74/1079209674.db2.gz QVGYEWVGWGZKLN-UHFFFAOYSA-N 1 0 414.645 2.180 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(CN3C(=O)C(=O)c4c3c(F)ccc4Cl)CC2)CC1 ZINC000771175883 1079209730 /nfs/dbraw/zinc/20/97/30/1079209730.db2.gz SMZUHDANDXJLCM-UHFFFAOYSA-N 1 0 422.932 2.456 20 0 HEADRO CCOC(=O)C(Cc1ccc(NCc2ncn3c2C[NH2+]CCC3)cc1)C(=O)OCC ZINC001169243742 1079210148 /nfs/dbraw/zinc/21/01/48/1079210148.db2.gz QVTMRWSESQPZFV-UHFFFAOYSA-N 1 0 414.506 2.273 20 0 HEADRO C[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000771237876 1079221294 /nfs/dbraw/zinc/22/12/94/1079221294.db2.gz HFAHOYDWNGGMMC-HKUYNNGSSA-N 1 0 416.566 2.334 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)CC[NH2+]2)c1 ZINC001169251871 1079212180 /nfs/dbraw/zinc/21/21/80/1079212180.db2.gz QRTBCGYCZXXSDS-QUCCMNQESA-N 1 0 401.551 2.465 20 0 HEADRO C[NH+](C)CCOCCNC(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2 ZINC000771185147 1079213493 /nfs/dbraw/zinc/21/34/93/1079213493.db2.gz ALAQVHHTVHSDMX-INIZCTEOSA-N 1 0 421.542 2.163 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)[C@H]3CCCN(c4ccccc4)C3=O)CC[NH2+]2)c1 ZINC001169260514 1079214323 /nfs/dbraw/zinc/21/43/23/1079214323.db2.gz KNSFXXHFLZRJGB-SIKLNZKXSA-N 1 0 407.514 2.481 20 0 HEADRO CC[NH+]1CCC(N2CCC[C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC001169261141 1079214720 /nfs/dbraw/zinc/21/47/20/1079214720.db2.gz ACWNWRXXOVFUFC-QGZVFWFLSA-N 1 0 405.539 2.391 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)n2)C[C@H]1C(=O)N1CCSC1 ZINC001170023528 1079220125 /nfs/dbraw/zinc/22/01/25/1079220125.db2.gz YQPDUTSYQJYYAB-GJZGRUSLSA-N 1 0 410.515 2.221 20 0 HEADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000766643936 1079223278 /nfs/dbraw/zinc/22/32/78/1079223278.db2.gz MVUYRWNJSYDHPS-FOIQADDNSA-N 1 0 401.482 2.497 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)C(C)C ZINC000771217127 1079232267 /nfs/dbraw/zinc/23/22/67/1079232267.db2.gz SZPYVBGYRRDQSC-QGZVFWFLSA-N 1 0 402.539 2.296 20 0 HEADRO CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H](C)[C@@H]1OC ZINC000771243798 1079224725 /nfs/dbraw/zinc/22/47/25/1079224725.db2.gz MUBNFPGACSYPJL-DBVUQKKJSA-N 1 0 416.566 2.333 20 0 HEADRO C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000746477813 1079226759 /nfs/dbraw/zinc/22/67/59/1079226759.db2.gz GHRZMODVQRRUGZ-HNNXBMFYSA-N 1 0 423.989 2.478 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC)C(C)C ZINC000771218520 1079232786 /nfs/dbraw/zinc/23/27/86/1079232786.db2.gz ZTUHRUJBFDRLRK-KRWDZBQOSA-N 1 0 402.539 2.486 20 0 HEADRO CN1C(=O)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCF)[C@H]1c1cccnc1 ZINC001109822867 1079235023 /nfs/dbraw/zinc/23/50/23/1079235023.db2.gz HOUTYGXXKCLTEH-QFCZJPRCSA-N 1 0 402.514 2.462 20 0 HEADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC(F)F)nc2)CC1 ZINC000771224866 1079237255 /nfs/dbraw/zinc/23/72/55/1079237255.db2.gz ZVAMHIXAIWBHQR-UHFFFAOYSA-N 1 0 416.494 2.340 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H](n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)CO1 ZINC001169344641 1079240882 /nfs/dbraw/zinc/24/08/82/1079240882.db2.gz TWTDMIXLYOIJQX-DBBPMMMXSA-N 1 0 403.523 2.352 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)CO1 ZINC001169383743 1079254179 /nfs/dbraw/zinc/25/41/79/1079254179.db2.gz BNNFOQMYUFSMNN-FCIYXJNOSA-N 1 0 404.507 2.332 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)CO1 ZINC001169376920 1079246710 /nfs/dbraw/zinc/24/67/10/1079246710.db2.gz ZISNRHRGRHIQJM-SJORKVTESA-N 1 0 412.527 2.199 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(c3cc(C(F)(F)F)ncn3)CC2)CO1 ZINC001169378173 1079247352 /nfs/dbraw/zinc/24/73/52/1079247352.db2.gz XETVJEUSRPGPOW-ZIAGYGMSSA-N 1 0 402.417 2.165 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)CO1 ZINC001169354365 1079249417 /nfs/dbraw/zinc/24/94/17/1079249417.db2.gz UCRFZNNBNPMTOQ-ZFWWWQNUSA-N 1 0 400.269 2.436 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)CO1 ZINC001169384185 1079254603 /nfs/dbraw/zinc/25/46/03/1079254603.db2.gz DVHHUNYOMDWCOT-BPBCIEFSSA-N 1 0 404.507 2.332 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)CO1 ZINC001169384189 1079255664 /nfs/dbraw/zinc/25/56/64/1079255664.db2.gz DVHHUNYOMDWCOT-ITTUMRLJSA-N 1 0 404.507 2.332 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCc3nc(C(=O)N4CCCCC4)sc3CC2)CO1 ZINC001169389789 1079260359 /nfs/dbraw/zinc/26/03/59/1079260359.db2.gz SHEYHQHHTUMUES-NVXWUHKLSA-N 1 0 421.563 2.281 20 0 HEADRO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(C[NH+](C)C)c2)C1=O ZINC000771273584 1079261266 /nfs/dbraw/zinc/26/12/66/1079261266.db2.gz GAANSHSISJESIK-QHCPKHFHSA-N 1 0 424.501 2.471 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)COCCN(c2nccs2)C3)CO1 ZINC001169397931 1079270103 /nfs/dbraw/zinc/27/01/03/1079270103.db2.gz OKUKTWBBGDJYNR-IAGOWNOFSA-N 1 0 409.552 2.173 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H](N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CO1 ZINC001169414943 1079275419 /nfs/dbraw/zinc/27/54/19/1079275419.db2.gz CKXQHJKNLRNIFT-KGLIPLIRSA-N 1 0 402.417 2.165 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](CCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001169415941 1079276037 /nfs/dbraw/zinc/27/60/37/1079276037.db2.gz FVROOROMYRPTOB-ZACQAIPSSA-N 1 0 400.516 2.055 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H](n2ccc3c2ncnc3N(C)[C@H]2C[NH2+]CC[C@H]2C)CO1 ZINC001169416439 1079276492 /nfs/dbraw/zinc/27/64/92/1079276492.db2.gz IEFRUOJNKMGXKM-FZCLSBEQSA-N 1 0 401.511 2.149 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@H+](CCOC)C2CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169410710 1079286583 /nfs/dbraw/zinc/28/65/83/1079286583.db2.gz OYJMUVKINANFGN-QZTJIDSGSA-N 1 0 414.543 2.445 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)NC1CCC(O)(c2cccnc2)CC1 ZINC000771324178 1079287912 /nfs/dbraw/zinc/28/79/12/1079287912.db2.gz MYYBLMQVKQGQIC-JGBTYHIZSA-N 1 0 402.539 2.154 20 0 HEADRO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2ccc([C@H]3CC[N@H+](C)C3)cc2)c1 ZINC001169443010 1079293485 /nfs/dbraw/zinc/29/34/85/1079293485.db2.gz XVMAXDLWFOVMGP-LAUBAEHRSA-N 1 0 413.518 2.385 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](c1cnc(C(F)(F)F)nc1)N1CCOCC1 ZINC001169449594 1079297541 /nfs/dbraw/zinc/29/75/41/1079297541.db2.gz VNQJBGYNYWKJCT-HOCLYGCPSA-N 1 0 417.476 2.105 20 0 HEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC2CCC(O)(c3cccnc3)CC2)CC1 ZINC000771353850 1079301728 /nfs/dbraw/zinc/30/17/28/1079301728.db2.gz YWLHDLNZQGIKOH-QKDPSFTKSA-N 1 0 415.582 2.023 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NCc2ccco2)C1 ZINC001169477325 1079303654 /nfs/dbraw/zinc/30/36/54/1079303654.db2.gz XWTNULBZRYUPPM-LFGUQSLTSA-N 1 0 405.539 2.270 20 0 HEADRO CCN(C)c1nc2c(cc1C(=O)OC)CC[N@@H+]([C@H](C)CC(=O)N(CC)CC)CC2 ZINC001169465826 1079307890 /nfs/dbraw/zinc/30/78/90/1079307890.db2.gz BGGGRESSQBLJSY-MRXNPFEDSA-N 1 0 404.555 2.372 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)N(CC(C)C)c1nc2c(cc1C(=O)NC)CC[NH2+]CC2 ZINC001169471600 1079310801 /nfs/dbraw/zinc/31/08/01/1079310801.db2.gz LTESAPUZUCTEBQ-QGZVFWFLSA-N 1 0 417.598 2.239 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@H]2OC[C@@H](C(=O)NCc3ccco3)C[C@H]2C1 ZINC001169472268 1079310860 /nfs/dbraw/zinc/31/08/60/1079310860.db2.gz PLNXQSKYBVKYOK-DOADOZAASA-N 1 0 405.539 2.270 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001169473961 1079311963 /nfs/dbraw/zinc/31/19/63/1079311963.db2.gz HITVVQNNJWSSNJ-OPAMFIHVSA-N 1 0 401.507 2.491 20 0 HEADRO CC[N@H+](CCC1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1)CC1CC1 ZINC000771414785 1079312089 /nfs/dbraw/zinc/31/20/89/1079312089.db2.gz WBNKODCVVRCVGF-FQEVSTJZSA-N 1 0 420.579 2.077 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508714 1079317247 /nfs/dbraw/zinc/31/72/47/1079317247.db2.gz PWSOCRHMAORRGM-OFAXGOBFSA-N 1 0 417.550 2.243 20 0 HEADRO 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404.511 2.161 20 0 HEADRO C[C@H](OC(=O)c1cc(F)cc(N)c1F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000738727449 1076013740 /nfs/dbraw/zinc/01/37/40/1076013740.db2.gz RNXHZEVAYTULGT-BBRMVZONSA-N 1 0 403.429 2.483 20 0 HEADRO CC[C@@H](C)[N@H+](C)CCn1c(N2CC(C)(OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001545679396 1076014725 /nfs/dbraw/zinc/01/47/25/1076014725.db2.gz SYFZRINGEOZPBV-DYESRHJHSA-N 1 0 409.575 2.274 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)CC2 ZINC000771780535 1079502406 /nfs/dbraw/zinc/50/24/06/1079502406.db2.gz ZCSYEBFHNOGWFT-CYBMUJFWSA-N 1 0 409.433 2.268 20 0 HEADRO Cn1ccnc1[C@@](O)(CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C(F)(F)F ZINC000738967399 1076027755 /nfs/dbraw/zinc/02/77/55/1076027755.db2.gz BMDXDKGJHAIQPV-YJBOKZPZSA-N 1 0 417.476 2.220 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000739032463 1076031622 /nfs/dbraw/zinc/03/16/22/1076031622.db2.gz QDTKWYYLWLQFMF-HXUWFJFHSA-N 1 0 417.554 2.219 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000739067722 1076035373 /nfs/dbraw/zinc/03/53/73/1076035373.db2.gz LZLMCELWYDHOQL-DYESRHJHSA-N 1 0 410.518 2.269 20 0 HEADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)[NH+]1CCCC1 ZINC000739070464 1076037298 /nfs/dbraw/zinc/03/72/98/1076037298.db2.gz LXTVVVCCXTUIAT-PXNSSMCTSA-N 1 0 402.539 2.087 20 0 HEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC(C)(C)O1 ZINC000739079883 1076038932 /nfs/dbraw/zinc/03/89/32/1076038932.db2.gz HSLPSYRKYHGPSE-QGZVFWFLSA-N 1 0 416.566 2.429 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCC[N@@H+](C4CCCC4)CC3)cc2)CCO1 ZINC000739121746 1076047379 /nfs/dbraw/zinc/04/73/79/1076047379.db2.gz XOVIWOGMPPKHGS-GOSISDBHSA-N 1 0 414.550 2.327 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)cn2)CC1 ZINC000739688351 1076072090 /nfs/dbraw/zinc/07/20/90/1076072090.db2.gz PBAASJBZGVIOGA-QZTJIDSGSA-N 1 0 417.554 2.143 20 0 HEADRO O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=O)N1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739875809 1076084985 /nfs/dbraw/zinc/08/49/85/1076084985.db2.gz OYISQUGRQNAOMQ-DNBYOKIBSA-N 1 0 414.550 2.121 20 0 HEADRO CNC(=O)c1ccc(C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C2CC2)cc1 ZINC000766239810 1076087700 /nfs/dbraw/zinc/08/77/00/1076087700.db2.gz OPUBXIZTJUJETQ-UHFFFAOYSA-N 1 0 401.532 2.461 20 0 HEADRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000739926616 1076094035 /nfs/dbraw/zinc/09/40/35/1076094035.db2.gz ILCVMFQEEHQCNI-IIBYNOLFSA-N 1 0 402.495 2.148 20 0 HEADRO CN(C1CCOCC1)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000739948613 1076095448 /nfs/dbraw/zinc/09/54/48/1076095448.db2.gz ASESURPRZZXBJL-UHFFFAOYSA-N 1 0 423.501 2.425 20 0 HEADRO CN1CC[N@H+](CCCNC(=O)NC[C@@H](O)c2ccsc2)[C@@H](c2ccccc2)C1 ZINC000740033661 1076097338 /nfs/dbraw/zinc/09/73/38/1076097338.db2.gz MQKNVHZDCXSDIW-WOJBJXKFSA-N 1 0 402.564 2.460 20 0 HEADRO 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CC[N@H+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000742915141 1076896896 /nfs/dbraw/zinc/89/68/96/1076896896.db2.gz DDRYPXZMSMUOGH-GOSISDBHSA-N 1 0 422.595 2.219 20 0 HEADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=S)N[C@@H]2CCc3ccccc3C2)c1 ZINC000742995211 1076916716 /nfs/dbraw/zinc/91/67/16/1076916716.db2.gz SJVNDSMTDZUKPM-OAQYLSRUSA-N 1 0 410.587 2.500 20 0 HEADRO C[NH+](C)CCNC(=S)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000743014655 1076926313 /nfs/dbraw/zinc/92/63/13/1076926313.db2.gz XOIYQTUFKCZCPE-SFHVURJKSA-N 1 0 409.552 2.344 20 0 HEADRO C[C@H](OC(=O)c1cccc2c1OCCO2)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743015359 1076928016 /nfs/dbraw/zinc/92/80/16/1076928016.db2.gz YFHHDFMWGGINAQ-WMZOPIPTSA-N 1 0 410.470 2.394 20 0 HEADRO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=S)NC[C@H]2CCC[N@@H+]2CC)cc1F ZINC000743031655 1076942363 /nfs/dbraw/zinc/94/23/63/1076942363.db2.gz GRXHSBUZZFHKAQ-UKRRQHHQSA-N 1 0 424.542 2.278 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](O)c3cnn(C)c3)cc2Cl)CC1 ZINC000743120873 1076964421 /nfs/dbraw/zinc/96/44/21/1076964421.db2.gz IROOYVIMAJJHJX-IBGZPJMESA-N 1 0 420.945 2.461 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)CC1 ZINC000743174860 1076989354 /nfs/dbraw/zinc/98/93/54/1076989354.db2.gz VMRKQDMJDDMWIK-OALUTQOASA-N 1 0 403.571 2.307 20 0 HEADRO Cc1ccc([C@@H](CNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)[NH+]2CCCC2)cc1 ZINC000743205523 1076996484 /nfs/dbraw/zinc/99/64/84/1076996484.db2.gz SCUAFRHMOFGSMP-GOSISDBHSA-N 1 0 419.551 2.195 20 0 HEADRO CS(=O)(=O)CCn1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000743207536 1077000106 /nfs/dbraw/zinc/00/01/06/1077000106.db2.gz ODEKNFZFASEKNW-UHFFFAOYSA-N 1 0 411.572 2.238 20 0 HEADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)C1 ZINC000743207433 1077000211 /nfs/dbraw/zinc/00/02/11/1077000211.db2.gz LEHCZBGLZJQCLY-DLBZAZTESA-N 1 0 411.572 2.046 20 0 HEADRO CC1(C)CN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC[N@@H+]1Cc1ccccc1 ZINC000743209353 1077001019 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403.527 2.441 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000743280205 1077016211 /nfs/dbraw/zinc/01/62/11/1077016211.db2.gz QDEALAURVBSLJI-FQEVSTJZSA-N 1 0 412.538 2.178 20 0 HEADRO CCCCNC(=O)CN1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000743287123 1077016437 /nfs/dbraw/zinc/01/64/37/1077016437.db2.gz BRXFVRVNBLABAG-UHFFFAOYSA-N 1 0 400.523 2.169 20 0 HEADRO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2CN1CC[NH+](CC2CCOCC2)CC1 ZINC000743366700 1077033682 /nfs/dbraw/zinc/03/36/82/1077033682.db2.gz ZVDDPQQTDVLYEN-UHFFFAOYSA-N 1 0 401.507 2.435 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(F)cc1F ZINC000743369343 1077034038 /nfs/dbraw/zinc/03/40/38/1077034038.db2.gz ZDKIILGLYPZIFW-SFHVURJKSA-N 1 0 422.407 2.420 20 0 HEADRO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000743350744 1077036606 /nfs/dbraw/zinc/03/66/06/1077036606.db2.gz BFSGTXCZIPUQDL-UHFFFAOYSA-N 1 0 401.507 2.435 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(CN2C(=O)N[C@@](CC)(c3ccc(OC)cc3)C2=O)C1 ZINC000743387509 1077039372 /nfs/dbraw/zinc/03/93/72/1077039372.db2.gz ISDOVKBJAGJGGY-JTSKRJEESA-N 1 0 402.539 2.474 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)C1 ZINC000743390107 1077039782 /nfs/dbraw/zinc/03/97/82/1077039782.db2.gz MNYUXSNYIOTAOW-HNNXBMFYSA-N 1 0 400.552 2.338 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1 ZINC000743394102 1077040932 /nfs/dbraw/zinc/04/09/32/1077040932.db2.gz DHOJVTTWDIXYMP-JTSKRJEESA-N 1 0 416.522 2.032 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(F)cc1F ZINC000743394921 1077041091 /nfs/dbraw/zinc/04/10/91/1077041091.db2.gz DSDFPRGNCCRZNB-ODXCJYRJSA-N 1 0 410.465 2.488 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(Cn2nnn(-c3cc(OC)ccc3OC)c2=S)C1 ZINC000743393570 1077041219 /nfs/dbraw/zinc/04/12/19/1077041219.db2.gz VNKWDWGQCRXLCQ-OAHLLOKOSA-N 1 0 406.556 2.437 20 0 HEADRO CCc1ccc(N2CCN(C(=O)NCCCC[NH+]3CCN(CC)CC3)CC2)cc1 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HEADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cc(N3CCOC3=O)ccc2C)CC1 ZINC000743891083 1077202384 /nfs/dbraw/zinc/20/23/84/1077202384.db2.gz BACWUPFQJVTDHU-UHFFFAOYSA-N 1 0 416.522 2.471 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)[NH+]1CCCCC1 ZINC000743896051 1077208300 /nfs/dbraw/zinc/20/83/00/1077208300.db2.gz ZJRZQOMTGUYBHU-MRXNPFEDSA-N 1 0 403.523 2.500 20 0 HEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)Nc1ccnn1C1CCCCC1 ZINC000743904510 1077217220 /nfs/dbraw/zinc/21/72/20/1077217220.db2.gz LFNVBGDRQDJMOY-UHFFFAOYSA-N 1 0 403.527 2.088 20 0 HEADRO CCOc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000743945599 1077239183 /nfs/dbraw/zinc/23/91/83/1077239183.db2.gz CBMPUVFVGSLWGQ-INIZCTEOSA-N 1 0 409.914 2.437 20 0 HEADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)C1 ZINC000743919509 1077240816 /nfs/dbraw/zinc/24/08/16/1077240816.db2.gz JFRMFMCSIJGKHH-FQEVSTJZSA-N 1 0 411.502 2.349 20 0 HEADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)C1 ZINC000743919310 1077241349 /nfs/dbraw/zinc/24/13/49/1077241349.db2.gz FNPRSTUBSZMKGS-FQEVSTJZSA-N 1 0 410.518 2.098 20 0 HEADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000743920178 1077242810 /nfs/dbraw/zinc/24/28/10/1077242810.db2.gz UPWWGVSRUHVOEG-JTQLQIEISA-N 1 0 407.870 2.430 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCCCC(C)(C)CO)cc2)CC1 ZINC000743922637 1077245780 /nfs/dbraw/zinc/24/57/80/1077245780.db2.gz XCHIULCEMXPNEV-UHFFFAOYSA-N 1 0 418.582 2.318 20 0 HEADRO C[C@H](O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000743926634 1077250265 /nfs/dbraw/zinc/25/02/65/1077250265.db2.gz ZSHNRZOFZGZQDB-INIZCTEOSA-N 1 0 404.555 2.069 20 0 HEADRO COc1cccc(O[C@H](C)CNC(=O)C(=O)Nc2ccc(-n3ccnc3C)nc2)c1 ZINC000743960342 1077267623 /nfs/dbraw/zinc/26/76/23/1077267623.db2.gz BZHSIGXQFXSQDE-CQSZACIVSA-N 1 0 409.446 2.107 20 0 HEADRO O=C(Nc1ccc(Br)cc1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743946429 1077276459 /nfs/dbraw/zinc/27/64/59/1077276459.db2.gz 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CC(C)(C)OC(=O)NC[C@](C)([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)C1CC1 ZINC000766941436 1079529685 /nfs/dbraw/zinc/52/96/85/1079529685.db2.gz WGTOPKHDFPNGMP-NRFANRHFSA-N 1 0 402.495 2.255 20 0 HEADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000771810515 1079542353 /nfs/dbraw/zinc/54/23/53/1079542353.db2.gz HPWPGMKDNXEJEF-QPJJXVBHSA-N 1 0 415.515 2.463 20 0 HEADRO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000771823443 1079547923 /nfs/dbraw/zinc/54/79/23/1079547923.db2.gz CHQLDEPWLHCCDD-GOSISDBHSA-N 1 0 404.511 2.050 20 0 HEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 ZINC000771830272 1079550974 /nfs/dbraw/zinc/55/09/74/1079550974.db2.gz CMAKLCKOFWLADU-AZUAARDMSA-N 1 0 417.575 2.336 20 0 HEADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C[C@H]1C ZINC000766991287 1079553354 /nfs/dbraw/zinc/55/33/54/1079553354.db2.gz NRZKPYKVGFKJQB-MJIJOELWSA-N 1 0 405.564 2.109 20 0 HEADRO CC[NH+](CC)CCOC(=O)CCNS(=O)(=O)c1cccc(Br)c1 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C[C@H](CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000767921543 1080216737 /nfs/dbraw/zinc/21/67/37/1080216737.db2.gz KAZUANGMJAZREM-WZONZLPQSA-N 1 0 418.582 2.426 20 0 HEADRO C[C@H](CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000767922460 1080217295 /nfs/dbraw/zinc/21/72/95/1080217295.db2.gz POGTZMPEPPEXOZ-VGOFRKELSA-N 1 0 404.555 2.179 20 0 HEADRO CC(C)(C)OC(=O)NCC[N@H+](CCO)C[C@H](O)c1ccccc1Br ZINC000767923079 1080217975 /nfs/dbraw/zinc/21/79/75/1080217975.db2.gz PFCSGPCBANGADL-HNNXBMFYSA-N 1 0 403.317 2.302 20 0 HEADRO O=C(OCc1nnnn1Cc1ccccc1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785711259 1080219268 /nfs/dbraw/zinc/21/92/68/1080219268.db2.gz WPAPUAPVDKVZJT-UHFFFAOYSA-N 1 0 421.501 2.283 20 0 HEADRO COc1cc(C[NH2+]C[C@H](O)c2cccc(C)c2)ccc1OCC(=O)N1CCOCC1 ZINC000767925978 1080219384 /nfs/dbraw/zinc/21/93/84/1080219384.db2.gz GQMNNWSPTQDVMS-FQEVSTJZSA-N 1 0 414.502 2.064 20 0 HEADRO O=C(COC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)NC(=O)c1ccccc1 ZINC000785711777 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QOOVWMYXYYYOBU-FQEVSTJZSA-N 1 0 422.595 2.217 20 0 HEADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H](O)c3ccccc3)c2)CC1 ZINC000768013457 1080282113 /nfs/dbraw/zinc/28/21/13/1080282113.db2.gz SAOCBPDSKYVRGD-NRFANRHFSA-N 1 0 410.518 2.005 20 0 HEADRO CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1=O ZINC000785853687 1080282125 /nfs/dbraw/zinc/28/21/25/1080282125.db2.gz AJPWUPFVFRSFLC-VGOFRKELSA-N 1 0 422.529 2.299 20 0 HEADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[NH+](C)C ZINC000785857140 1080283881 /nfs/dbraw/zinc/28/38/81/1080283881.db2.gz OKAPVSJXSAEMGA-CZAAIQMYSA-N 1 0 407.518 2.223 20 0 HEADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000768027365 1080292843 /nfs/dbraw/zinc/29/28/43/1080292843.db2.gz ADTPLHBPGJQDTO-UHFFFAOYSA-N 1 0 415.719 2.427 20 0 HEADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](O)c3ccsc3)c2)CC1 ZINC000768087256 1080321449 /nfs/dbraw/zinc/32/14/49/1080321449.db2.gz VWKRARVCTIMTGZ-LJQANCHMSA-N 1 0 416.547 2.067 20 0 HEADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)C(F)(F)C3(O)CCCC3)CC2)CC1 ZINC000785980480 1080327212 /nfs/dbraw/zinc/32/72/12/1080327212.db2.gz OBDCSKVYGILPJW-UHFFFAOYSA-N 1 0 415.525 2.108 20 0 HEADRO CN(C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000768077470 1080330607 /nfs/dbraw/zinc/33/06/07/1080330607.db2.gz JHNRCRMHSKVNKD-HQSKLWIPSA-N 1 0 405.539 2.001 20 0 HEADRO CC(C)CNC(=O)c1ccccc1NC(=O)CN1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000785974701 1080331415 /nfs/dbraw/zinc/33/14/15/1080331415.db2.gz CBODPNUMEPHRRM-SFHVURJKSA-N 1 0 416.566 2.196 20 0 HEADRO CC(C)CNC(=O)c1ccccc1NC(=O)CN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000785990788 1080351694 /nfs/dbraw/zinc/35/16/94/1080351694.db2.gz CBODPNUMEPHRRM-GOSISDBHSA-N 1 0 416.566 2.196 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C)[N@H+](C)Cc1ccccc1 ZINC000768149785 1080355907 /nfs/dbraw/zinc/35/59/07/1080355907.db2.gz JEKNYDIBBSJLJZ-HNNXBMFYSA-N 1 0 414.481 2.103 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000768127571 1080361315 /nfs/dbraw/zinc/36/13/15/1080361315.db2.gz SNVISXHXKKLSKK-ALXJQNPVSA-N 1 0 402.539 2.228 20 0 HEADRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC001170054338 1080367285 /nfs/dbraw/zinc/36/72/85/1080367285.db2.gz RJCHZOHPURYLSA-QZTJIDSGSA-N 1 0 419.522 2.254 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H](N2CCC([NH+]3CCC3)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170054540 1080371556 /nfs/dbraw/zinc/37/15/56/1080371556.db2.gz FWOUBZOYJAVJQY-ROUUACIJSA-N 1 0 424.611 2.067 20 0 HEADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000786009008 1080372851 /nfs/dbraw/zinc/37/28/51/1080372851.db2.gz WHKWMXXGNIGUIV-UHFFFAOYSA-N 1 0 420.517 2.040 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)C1 ZINC000746570333 1080374136 /nfs/dbraw/zinc/37/41/36/1080374136.db2.gz OLSUOVKGWFZYHS-CTNGQTDRSA-N 1 0 400.523 2.170 20 0 HEADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000768169313 1080382311 /nfs/dbraw/zinc/38/23/11/1080382311.db2.gz YQFZAYRJFIZJCT-CHWSQXEVSA-N 1 0 416.305 2.310 20 0 HEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)CC1 ZINC000786039146 1080382692 /nfs/dbraw/zinc/38/26/92/1080382692.db2.gz QTONFLMMQRPATI-QINHECLXSA-N 1 0 420.504 2.475 20 0 HEADRO CC(C)[C@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001169988429 1080383491 /nfs/dbraw/zinc/38/34/91/1080383491.db2.gz UYVAKBSXTWVJCN-OALUTQOASA-N 1 0 418.582 2.224 20 0 HEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768201141 1080391972 /nfs/dbraw/zinc/39/19/72/1080391972.db2.gz UAXCZCLSSOIZAJ-CZTZKLFOSA-N 1 0 414.502 2.442 20 0 HEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768202092 1080393012 /nfs/dbraw/zinc/39/30/12/1080393012.db2.gz UFVLLYHLCOGPNU-PRHODGIISA-N 1 0 401.692 2.035 20 0 HEADRO COc1ccc(NC(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)c(OC)c1 ZINC000786098161 1080394110 /nfs/dbraw/zinc/39/41/10/1080394110.db2.gz VVXWMIXHUHINRJ-UHFFFAOYSA-N 1 0 406.479 2.221 20 0 HEADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768203201 1080394350 /nfs/dbraw/zinc/39/43/50/1080394350.db2.gz RSVAFCHRHNRBBZ-RXVVDRJESA-N 1 0 411.502 2.432 20 0 HEADRO COCc1ccccc1CNC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786102640 1080396829 /nfs/dbraw/zinc/39/68/29/1080396829.db2.gz ZICNBYBKCQLFKK-UHFFFAOYSA-N 1 0 404.507 2.028 20 0 HEADRO Nc1nc(COC(=O)CC2([NH+]3CCOCC3)CCCC2)nc(Nc2ccccc2)n1 ZINC000786103874 1080397525 /nfs/dbraw/zinc/39/75/25/1080397525.db2.gz BQPZNMOPQARCMJ-UHFFFAOYSA-N 1 0 412.494 2.276 20 0 HEADRO C[C@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)NC(=O)NC1CCCCC1 ZINC000786107605 1080400090 /nfs/dbraw/zinc/40/00/90/1080400090.db2.gz YMUMNBXKFIQSRK-INIZCTEOSA-N 1 0 409.527 2.112 20 0 HEADRO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786110281 1080402884 /nfs/dbraw/zinc/40/28/84/1080402884.db2.gz ZERTUIKFUAHTMF-XLIONFOSSA-N 1 0 403.523 2.309 20 0 HEADRO CNC(=O)c1ccc(CON=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000786112733 1080404683 /nfs/dbraw/zinc/40/46/83/1080404683.db2.gz XOVCBICLCKJBOF-UHFFFAOYSA-N 1 0 409.534 2.253 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000786163556 1080434525 /nfs/dbraw/zinc/43/45/25/1080434525.db2.gz PWYVMYKGOOBACR-IAGOWNOFSA-N 1 0 411.955 2.206 20 0 HEADRO C[C@H]1[C@@H](C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786164865 1080435056 /nfs/dbraw/zinc/43/50/56/1080435056.db2.gz BIZMKGPBYDATCX-HOTGVXAUSA-N 1 0 403.527 2.417 20 0 HEADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1 ZINC000768270603 1080453195 /nfs/dbraw/zinc/45/31/95/1080453195.db2.gz BQIYFSIIGMNGGW-CALCHBBNSA-N 1 0 414.591 2.272 20 0 HEADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000768297012 1080468335 /nfs/dbraw/zinc/46/83/35/1080468335.db2.gz VZLYRPHNQNVRJG-ZCFIWIBFSA-N 1 0 410.372 2.050 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000786248107 1080488223 /nfs/dbraw/zinc/48/82/23/1080488223.db2.gz JDYZYJNYLKBYNA-WOJBJXKFSA-N 1 0 415.538 2.414 20 0 HEADRO C[NH+](C)CCc1ccc(CNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC000786226874 1080507432 /nfs/dbraw/zinc/50/74/32/1080507432.db2.gz MBDZSCZTXCALFA-IBGZPJMESA-N 1 0 405.539 2.433 20 0 HEADRO CC(=O)Nc1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000786230722 1080509040 /nfs/dbraw/zinc/50/90/40/1080509040.db2.gz VXQAKXVPJHKIFY-XMMPIXPASA-N 1 0 422.529 2.290 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000786270270 1080519775 /nfs/dbraw/zinc/51/97/75/1080519775.db2.gz KUJBCYYFBFKGRH-UHFFFAOYSA-N 1 0 414.554 2.016 20 0 HEADRO Cn1cc(-c2ncccc2NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)cn1 ZINC000786280708 1080527006 /nfs/dbraw/zinc/52/70/06/1080527006.db2.gz BGYJTWBWYUWRGW-UHFFFAOYSA-N 1 0 420.517 2.054 20 0 HEADRO 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Cc1cc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164735837 720530377 /nfs/dbraw/zinc/53/03/77/720530377.db2.gz SBAINHYUNKHFDB-KRWDZBQOSA-N 1 0 405.506 2.432 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ccc3C(N)=O)CC[C@@H]21 ZINC001164835488 720547689 /nfs/dbraw/zinc/54/76/89/720547689.db2.gz HMFVHTJEYAJBBP-ZOBUZTSGSA-N 1 0 402.930 2.408 20 0 HEADRO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nn1 ZINC001164835881 720575267 /nfs/dbraw/zinc/57/52/67/720575267.db2.gz IUTRBPQFWLMZPW-YSIASYRMSA-N 1 0 412.538 2.157 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(S(C)(=O)=O)cn3)CC[C@@H]21 ZINC001164835637 720591589 /nfs/dbraw/zinc/59/15/89/720591589.db2.gz CCTOTUAOCMXOAK-AOIWGVFYSA-N 1 0 403.552 2.059 20 0 HEADRO CON(C)C(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164837260 720624619 /nfs/dbraw/zinc/62/46/19/720624619.db2.gz HTIGCQHYQCQCGA-VAMGGRTRSA-N 1 0 412.538 2.289 20 0 HEADRO 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ZINC001164887783 721378871 /nfs/dbraw/zinc/37/88/71/721378871.db2.gz IIYHNQBNVCKLLI-WMZHIEFXSA-N 1 0 416.566 2.332 20 0 HEADRO COC(=O)c1cc(Cl)cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892904 721393575 /nfs/dbraw/zinc/39/35/75/721393575.db2.gz UJAXRQBFTRMOEI-UTKZUKDTSA-N 1 0 422.957 2.287 20 0 HEADRO COc1nc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891832 721395780 /nfs/dbraw/zinc/39/57/80/721395780.db2.gz QLUSEYBAIATXJU-FDDCHVKYSA-N 1 0 411.550 2.404 20 0 HEADRO COCc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(SC)n1 ZINC001164891960 721409312 /nfs/dbraw/zinc/40/93/12/721409312.db2.gz XADMJEJXVKURIB-GHTZIAJQSA-N 1 0 421.611 2.110 20 0 HEADRO COc1nc(Cl)nc(C)c1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883611 721411338 /nfs/dbraw/zinc/41/13/38/721411338.db2.gz BFUZZIYGYTVIDV-UZLBHIALSA-N 1 0 409.962 2.212 20 0 HEADRO COc1cccc2cnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc21 ZINC001164890003 721414911 /nfs/dbraw/zinc/41/49/11/721414911.db2.gz RZRIRMBTUCYZIZ-AUSIDOKSSA-N 1 0 411.550 2.404 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5nc[nH]c5cc4Cl)C3)O2)CC1 ZINC001164890364 721420507 /nfs/dbraw/zinc/42/05/07/721420507.db2.gz SFJKTDVITCOQLZ-YWZLYKJASA-N 1 0 404.946 2.377 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(N5CCCCC5)n4)C3)O2)CC1 ZINC001164890057 721422163 /nfs/dbraw/zinc/42/21/63/721422163.db2.gz SBSDKRZGUNQHTB-NFBKMPQASA-N 1 0 414.598 2.232 20 0 HEADRO CC(C)COc1cncc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164897398 721437979 /nfs/dbraw/zinc/43/79/79/721437979.db2.gz TXKDOTUOVJZTNX-DENIHFKCSA-N 1 0 403.571 2.277 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccccn5)nn4)C3)O2)CC1 ZINC001164895788 721441463 /nfs/dbraw/zinc/44/14/63/721441463.db2.gz PMYAFUOLNGZCKP-AUSIDOKSSA-N 1 0 408.550 2.304 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccncc5)nn4)C3)O2)CC1 ZINC001164890768 721441481 /nfs/dbraw/zinc/44/14/81/721441481.db2.gz FHWFUNQNFUFOKN-NFBKMPQASA-N 1 0 408.550 2.304 20 0 HEADRO CC(C)COc1nccnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164898397 721443428 /nfs/dbraw/zinc/44/34/28/721443428.db2.gz VYMXXURWKCLXEE-DENIHFKCSA-N 1 0 403.571 2.277 20 0 HEADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(OC)cc(OC)n1)CC2 ZINC001164785944 721454898 /nfs/dbraw/zinc/45/48/98/721454898.db2.gz JJZNLCREBLEIJH-SFHVURJKSA-N 1 0 420.554 2.228 20 0 HEADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3[nH]c(C)nc3n1)CC2 ZINC001164784654 721463412 /nfs/dbraw/zinc/46/34/12/721463412.db2.gz JGHZEWMALBCVSR-GOSISDBHSA-N 1 0 414.554 2.347 20 0 HEADRO C[NH+](C)Cc1ccnc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)c1 ZINC001164896969 721479255 /nfs/dbraw/zinc/47/92/55/721479255.db2.gz YTEQIALCTCZXKS-QWFCFKBJSA-N 1 0 404.530 2.193 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CCC4(CCC(=O)N4Cc4ccncc4)CC3)n2)CC1 ZINC001164899580 721506612 /nfs/dbraw/zinc/50/66/12/721506612.db2.gz LFOMGMBBSVQYGC-UHFFFAOYSA-N 1 0 420.561 2.390 20 0 HEADRO CSc1nc2c(c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)n1)CCCC2 ZINC001164794302 721512512 /nfs/dbraw/zinc/51/25/12/721512512.db2.gz NFVDLHCHYFZMFW-UHFFFAOYSA-N 1 0 413.595 2.041 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccccc4F)nn2)CC3)CC1 ZINC001164795192 721520272 /nfs/dbraw/zinc/52/02/72/721520272.db2.gz LQFOGNCYBQBFNK-UHFFFAOYSA-N 1 0 407.497 2.247 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(C4CCC4)nc4[nH]ccc42)CC3)CC1 ZINC001164795056 721522768 /nfs/dbraw/zinc/52/27/68/721522768.db2.gz IZYXFPFIDJFGEW-UHFFFAOYSA-N 1 0 406.538 2.190 20 0 HEADRO Cn1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912371 721526914 /nfs/dbraw/zinc/52/69/14/721526914.db2.gz ZHYPVIAECWRDES-DZGCQCFKSA-N 1 0 402.861 2.498 20 0 HEADRO CCOC(=O)c1cnc(OC)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903997 721529998 /nfs/dbraw/zinc/52/99/98/721529998.db2.gz DTQAQYGDNUNRLN-WBVHZDCISA-N 1 0 416.453 2.143 20 0 HEADRO O=C1CCC(=O)N1Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164903065 721544595 /nfs/dbraw/zinc/54/45/95/721544595.db2.gz BYSJUXFENQPXRN-ICSRJNTNSA-N 1 0 424.476 2.212 20 0 HEADRO CNC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1Cl ZINC001164804039 721563606 /nfs/dbraw/zinc/56/36/06/721563606.db2.gz KZQFJDQZDAAVJN-ZWOKBUDYSA-N 1 0 415.925 2.358 20 0 HEADRO CN(C)C(=O)c1cncc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911649 721727021 /nfs/dbraw/zinc/72/70/21/721727021.db2.gz JVVDTORTNFCBLH-FQEVSTJZSA-N 1 0 416.476 2.311 20 0 HEADRO COc1cc2c(cc1F)ncnc2N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165009766 721741454 /nfs/dbraw/zinc/74/14/54/721741454.db2.gz IPROFMGXHZZVIX-UHFFFAOYSA-N 1 0 401.486 2.301 20 0 HEADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001164908393 721748425 /nfs/dbraw/zinc/74/84/25/721748425.db2.gz HPMFKLTVHGYJCU-UHFFFAOYSA-N 1 0 419.533 2.069 20 0 HEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(C(N)=S)c3ccsc32)CC1 ZINC001165012872 721750338 /nfs/dbraw/zinc/75/03/38/721750338.db2.gz QACWFLBJMNAWGX-UHFFFAOYSA-N 1 0 417.604 2.454 20 0 HEADRO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc(C[N@H+](C)C5CC5)cn4)C[C@H]32)cc1 ZINC001165027470 721797083 /nfs/dbraw/zinc/79/70/83/721797083.db2.gz VUWOVKCVMIPSMJ-YADHBBJMSA-N 1 0 422.529 2.301 20 0 HEADRO Cc1nc(CN2CCOC[C@]3(CN(c4cccc(N(C)C)[nH+]4)CCO3)C2)cs1 ZINC001164922069 721823819 /nfs/dbraw/zinc/82/38/19/721823819.db2.gz CDBQDVAEWBMQQZ-HXUWFJFHSA-N 1 0 403.552 2.020 20 0 HEADRO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(Cl)n1 ZINC001164925211 721861304 /nfs/dbraw/zinc/86/13/04/721861304.db2.gz DLTLOLGSUPUMTQ-LSDHHAIUSA-N 1 0 402.873 2.281 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncccc1C(=O)N1CCc2ccccc21 ZINC001164931465 721877828 /nfs/dbraw/zinc/87/78/28/721877828.db2.gz FNYTWROGVVAKRC-FGZHOGPDSA-N 1 0 405.546 2.499 20 0 HEADRO Cn1ccc(CN2CCOCC23CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)n1 ZINC001164935204 721907875 /nfs/dbraw/zinc/90/78/75/721907875.db2.gz CBDNOXZHSRGCSR-UHFFFAOYSA-N 1 0 410.566 2.282 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(S(=O)(=O)N(C)C)CC[C@@H]3C2)nc1 ZINC001164951935 721990003 /nfs/dbraw/zinc/99/00/03/721990003.db2.gz NOTLNSBWOLBKKT-VAMGGRTRSA-N 1 0 421.611 2.193 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)nc1 ZINC001164951933 721990195 /nfs/dbraw/zinc/99/01/95/721990195.db2.gz NOTLNSBWOLBKKT-HSALFYBXSA-N 1 0 421.611 2.193 20 0 HEADRO O=C(N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001164952282 722002101 /nfs/dbraw/zinc/00/21/01/722002101.db2.gz RBWLVMWNZNRPOS-NEWSRXKRSA-N 1 0 413.547 2.300 20 0 HEADRO C[C@H]1C(=O)Nc2cnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2N1C ZINC001164952214 722018017 /nfs/dbraw/zinc/01/80/17/722018017.db2.gz JORHOAHIMFEAFF-INIZCTEOSA-N 1 0 407.522 2.141 20 0 HEADRO NC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960493 722052863 /nfs/dbraw/zinc/05/28/63/722052863.db2.gz PQUGOFPCAYMIFZ-UHFFFAOYSA-N 1 0 415.925 2.348 20 0 HEADRO c1cn(-c2cncc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cn1 ZINC001164960025 722058181 /nfs/dbraw/zinc/05/81/81/722058181.db2.gz DBIRWXBWYJTQMB-UHFFFAOYSA-N 1 0 405.506 2.176 20 0 HEADRO C[NH+]1CCN(c2ccc(N3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)nn2)CC1 ZINC001164972853 722091152 /nfs/dbraw/zinc/09/11/52/722091152.db2.gz IMERKHLZINNDSK-LJQANCHMSA-N 1 0 412.582 2.141 20 0 HEADRO CSc1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983702 722108262 /nfs/dbraw/zinc/10/82/62/722108262.db2.gz ZAIYWSYLLOHCEG-HUUCEWRRSA-N 1 0 406.943 2.369 20 0 HEADRO COC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1 ZINC001164973874 722111065 /nfs/dbraw/zinc/11/10/65/722111065.db2.gz HTUQBLJXSFEFLR-LPHOPBHVSA-N 1 0 400.454 2.130 20 0 HEADRO COCc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(SC)n1 ZINC001164983147 722115442 /nfs/dbraw/zinc/11/54/42/722115442.db2.gz YJYHUDITZCBPHK-PKOBYXMFSA-N 1 0 415.563 2.467 20 0 HEADRO COCc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(SC)n1 ZINC001164983145 722115788 /nfs/dbraw/zinc/11/57/88/722115788.db2.gz YJYHUDITZCBPHK-MJGOQNOKSA-N 1 0 415.563 2.467 20 0 HEADRO CN(C)c1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975613 722122618 /nfs/dbraw/zinc/12/26/18/722122618.db2.gz KANJUHDAPJACLS-IAGOWNOFSA-N 1 0 402.930 2.318 20 0 HEADRO CCCNC(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972822 722140338 /nfs/dbraw/zinc/14/03/38/722140338.db2.gz ATVHWMGRCNJMEU-FPOVZHCZSA-N 1 0 409.534 2.344 20 0 HEADRO c1coc(CN=c2ccnc([C@H]3COCCN3)n2-c2ncccc2C[NH+]2CCCC2)c1 ZINC001164983012 722173416 /nfs/dbraw/zinc/17/34/16/722173416.db2.gz AWYXKVNHJKGRBU-HXUWFJFHSA-N 1 0 420.517 2.218 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3ncccc31)CCC2 ZINC001164999542 722251322 /nfs/dbraw/zinc/25/13/22/722251322.db2.gz AUDGBDVWUUUHML-UHFFFAOYSA-N 1 0 401.902 2.363 20 0 HEADRO Cn1ccc2c1nc(Cl)nc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165000084 722252151 /nfs/dbraw/zinc/25/21/51/722252151.db2.gz KYEQRDZQNZBDCJ-UHFFFAOYSA-N 1 0 403.918 2.307 20 0 HEADRO CCOCc1cnc(Cl)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002565 722255655 /nfs/dbraw/zinc/25/56/55/722255655.db2.gz QELAKPQNDOQBFX-UHFFFAOYSA-N 1 0 408.934 2.352 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769647463 1078483742 /nfs/dbraw/zinc/48/37/42/1078483742.db2.gz LVVNOQYIVTYFHP-UHFFFAOYSA-N 1 0 415.295 2.496 20 0 HEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000769649291 1078484299 /nfs/dbraw/zinc/48/42/99/1078484299.db2.gz QMHXUXGNHCBYGK-HXUWFJFHSA-N 1 0 423.579 2.296 20 0 HEADRO CCOC(=O)N1CCN(C(=O)CN(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000745450968 1078487353 /nfs/dbraw/zinc/48/73/53/1078487353.db2.gz WLOLHNWAJFMQSS-TZIWHRDSSA-N 1 0 416.566 2.445 20 0 HEADRO COC(=O)/C=C1/SCC(=O)N1CCCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000745455485 1078490721 /nfs/dbraw/zinc/49/07/21/1078490721.db2.gz FLVHUKQASXRAGR-XSFVSMFZSA-N 1 0 403.548 2.093 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2CC)c(=O)[nH]c1=O ZINC000769656403 1078491065 /nfs/dbraw/zinc/49/10/65/1078491065.db2.gz ZIUMSYCKEWUCDO-INIZCTEOSA-N 1 0 414.572 2.072 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c(=O)[nH]c1=O ZINC000769655487 1078491527 /nfs/dbraw/zinc/49/15/27/1078491527.db2.gz ANJHEVXFLQBPBY-JKSUJKDBSA-N 1 0 414.572 2.023 20 0 HEADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1Cl ZINC000769658264 1078494656 /nfs/dbraw/zinc/49/46/56/1078494656.db2.gz XFOYURCGSSFCHC-CQSZACIVSA-N 1 0 403.932 2.125 20 0 HEADRO CN1CCC(CNC(=O)NCc2cccnc2-n2ccnc2)([NH+]2CCCCC2)CC1 ZINC000745484831 1078495710 /nfs/dbraw/zinc/49/57/10/1078495710.db2.gz YKRIWQLDSYEHCJ-UHFFFAOYSA-N 1 0 411.554 2.017 20 0 HEADRO CON(C)S(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1Cl ZINC000769707909 1078530350 /nfs/dbraw/zinc/53/03/50/1078530350.db2.gz QCVSRYZFKLDHEQ-UHFFFAOYSA-N 1 0 417.959 2.374 20 0 HEADRO Cc1nccn1-c1ccc(CNC(=O)c2cnn3cc(Br)cnc23)cn1 ZINC000769715564 1078534079 /nfs/dbraw/zinc/53/40/79/1078534079.db2.gz SRMOYNFMEAZCBL-UHFFFAOYSA-N 1 0 412.251 2.311 20 0 HEADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000769756538 1078541428 /nfs/dbraw/zinc/54/14/28/1078541428.db2.gz LQPFIMLNGHOJPO-KXBFYZLASA-N 1 0 411.543 2.411 20 0 HEADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1nccn2c(Br)cnc12 ZINC000769783640 1078563909 /nfs/dbraw/zinc/56/39/09/1078563909.db2.gz ZWFAKDDYNOUSRD-UHFFFAOYSA-N 1 0 403.284 2.091 20 0 HEADRO CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000769799162 1078569494 /nfs/dbraw/zinc/56/94/94/1078569494.db2.gz DBARARFMVGATSE-NHCUHLMSSA-N 1 0 416.566 2.244 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@H](O)c2ccccc2)C[C@H]1C(=O)N1CCSC1 ZINC001170011307 1078633809 /nfs/dbraw/zinc/63/38/09/1078633809.db2.gz NPXSWAXSBJUCEF-SQNIBIBYSA-N 1 0 421.563 2.221 20 0 HEADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000769919711 1078634358 /nfs/dbraw/zinc/63/43/58/1078634358.db2.gz LAKJADFAGMWBGJ-DEFALTHMSA-N 1 0 414.531 2.481 20 0 HEADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cn(C)c(Cl)n1)c1cccc(OC)c1 ZINC000769886650 1078643376 /nfs/dbraw/zinc/64/33/76/1078643376.db2.gz LBYJOMGKKQWXTQ-HNNXBMFYSA-N 1 0 400.932 2.444 20 0 HEADRO CCN(CC)C(=O)CN1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000745786816 1078644637 /nfs/dbraw/zinc/64/46/37/1078644637.db2.gz YQQJFZVEEHFJDR-UHFFFAOYSA-N 1 0 421.630 2.227 20 0 HEADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CCC3(C2)OCCO3)CC1 ZINC000745794846 1078651160 /nfs/dbraw/zinc/65/11/60/1078651160.db2.gz PGIGDRMIARKENL-INIZCTEOSA-N 1 0 406.502 2.187 20 0 HEADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000769959597 1078653051 /nfs/dbraw/zinc/65/30/51/1078653051.db2.gz PWJVXMOBTOHGOC-OXQOHEQNSA-N 1 0 424.904 2.045 20 0 HEADRO C[C@@H]1C[C@H](N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC[N@@H+]1C ZINC000769960290 1078653100 /nfs/dbraw/zinc/65/31/00/1078653100.db2.gz HRCKHNMNGOVJJZ-ZGLRSVDFSA-N 1 0 424.904 2.187 20 0 HEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCC[C@@H](O)c3ccccc3)c2)C1 ZINC000745810086 1078656448 /nfs/dbraw/zinc/65/64/48/1078656448.db2.gz WQMBJQFURNCSLI-FGZHOGPDSA-N 1 0 424.545 2.307 20 0 HEADRO CCOc1cc(C[NH2+]C2CN(C(=O)OC)C2)ccc1OCC(=O)N1CCCCC1 ZINC000769934703 1078663857 /nfs/dbraw/zinc/66/38/57/1078663857.db2.gz UQCNLZFPMKTADS-UHFFFAOYSA-N 1 0 405.495 2.017 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)C2=O)cc1 ZINC000745824715 1078664820 /nfs/dbraw/zinc/66/48/20/1078664820.db2.gz LGCICOFKERESGP-LEWJYISDSA-N 1 0 414.550 2.433 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)C2=O)cc1 ZINC000745824095 1078664888 /nfs/dbraw/zinc/66/48/88/1078664888.db2.gz FUOILUQWUSEJDW-PMACEKPBSA-N 1 0 400.523 2.043 20 0 HEADRO CN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000745825111 1078665326 /nfs/dbraw/zinc/66/53/26/1078665326.db2.gz NQNUVKUHBIYTDB-UXHICEINSA-N 1 0 400.523 2.077 20 0 HEADRO CC(C)CNC(=O)C1CCN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000745878952 1078682481 /nfs/dbraw/zinc/68/24/81/1078682481.db2.gz WDZYNESIUZOWQY-UHFFFAOYSA-N 1 0 421.630 2.131 20 0 HEADRO C[C@H](CNC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1)C[NH+]1CCN(C)CC1 ZINC000745861211 1078676433 /nfs/dbraw/zinc/67/64/33/1078676433.db2.gz AMYLJNDSNKAKCJ-UTKZUKDTSA-N 1 0 406.546 2.164 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[NH+](CC4CCOCC4)CC3)C2=O)cc1 ZINC000745879495 1078682909 /nfs/dbraw/zinc/68/29/09/1078682909.db2.gz SNEJPJPAZIAGJK-NRFANRHFSA-N 1 0 414.550 2.244 20 0 HEADRO O=C(C[NH+]1CCC(CO)(Cc2ccccc2)CC1)NC1CCC2(CC1)OCCO2 ZINC000770004466 1078681719 /nfs/dbraw/zinc/68/17/19/1078681719.db2.gz WAIPBUQYSCSWKK-UHFFFAOYSA-N 1 0 402.535 2.106 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000770015871 1078687993 /nfs/dbraw/zinc/68/79/93/1078687993.db2.gz KILUTTPWPRLUSR-QRQLOZEOSA-N 1 0 403.502 2.317 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000770019529 1078690792 /nfs/dbraw/zinc/69/07/92/1078690792.db2.gz TZTSAWQEQYEAIX-LPHOPBHVSA-N 1 0 403.502 2.276 20 0 HEADRO O=C(CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)OC1CCCCC1 ZINC000770031627 1078696473 /nfs/dbraw/zinc/69/64/73/1078696473.db2.gz XEFXZFGJHPWVFU-UHFFFAOYSA-N 1 0 401.507 2.256 20 0 HEADRO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000770046445 1078703426 /nfs/dbraw/zinc/70/34/26/1078703426.db2.gz GSFVYAQIPSNVGR-BEFAXECRSA-N 1 0 405.520 2.485 20 0 HEADRO CCN(CC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1)C(=O)OC(C)(C)C ZINC000745946046 1078705171 /nfs/dbraw/zinc/70/51/71/1078705171.db2.gz RCSXOFKXKRJTJW-WMZOPIPTSA-N 1 0 424.586 2.068 20 0 HEADRO C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000770050423 1078705424 /nfs/dbraw/zinc/70/54/24/1078705424.db2.gz REYPAQKPFIXDFB-KUHUBIRLSA-N 1 0 407.511 2.497 20 0 HEADRO C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945248 1078709162 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KTDLGGHOMNLJCQ-AWEZNQCLSA-N 1 0 420.510 2.439 20 0 HEADRO Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@H](C)CC[NH+]3CCN(C)CC3)cc12 ZINC000770176012 1078748721 /nfs/dbraw/zinc/74/87/21/1078748721.db2.gz YWVQBFUPVVHVAQ-QGZVFWFLSA-N 1 0 406.534 2.485 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)O4)cc2Cl)CC1 ZINC000746041171 1078748967 /nfs/dbraw/zinc/74/89/67/1078748967.db2.gz QHYCRKLIJLJXIC-CALCHBBNSA-N 1 0 420.941 2.200 20 0 HEADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1NC(=O)OC(C)(C)C ZINC000746045803 1078754948 /nfs/dbraw/zinc/75/49/48/1078754948.db2.gz KDIFVHSQARQAHW-CQSZACIVSA-N 1 0 420.510 2.439 20 0 HEADRO CO[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)C(C)C ZINC000746047610 1078757301 /nfs/dbraw/zinc/75/73/01/1078757301.db2.gz NPIRCIVSIPZQQG-LJQANCHMSA-N 1 0 408.518 2.082 20 0 HEADRO Cc1ncccc1C[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013399 1078767291 /nfs/dbraw/zinc/76/72/91/1078767291.db2.gz GKGKJXOLNMAZOA-SJORKVTESA-N 1 0 406.552 2.391 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCN(C(=O)OCc4ccccc4)C3)nc2)CC1 ZINC000770228706 1078775731 /nfs/dbraw/zinc/77/57/31/1078775731.db2.gz DQFGXIVTISHWGV-IBGZPJMESA-N 1 0 423.517 2.431 20 0 HEADRO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000770244570 1078783807 /nfs/dbraw/zinc/78/38/07/1078783807.db2.gz SQIRVQKNJQBQQH-UHFFFAOYSA-N 1 0 423.304 2.090 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C1CCCCC1 ZINC000746125224 1078798764 /nfs/dbraw/zinc/79/87/64/1078798764.db2.gz MAVIEFALTBOXJL-QHAWAJNXSA-N 1 0 417.550 2.385 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000746149788 1078806466 /nfs/dbraw/zinc/80/64/66/1078806466.db2.gz NWBDVJVLPFDPPY-XMSQKQJNSA-N 1 0 403.523 2.139 20 0 HEADRO COC[C@H]([NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C(C)C ZINC001170013806 1078822850 /nfs/dbraw/zinc/82/28/50/1078822850.db2.gz KFQCCRIWRAOAPE-JYJNAYRXSA-N 1 0 401.573 2.158 20 0 HEADRO CC[NH+]1CCN(CC(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)CC1 ZINC000746213574 1078823594 /nfs/dbraw/zinc/82/35/94/1078823594.db2.gz UKSYGUJMQRLPBE-UHFFFAOYSA-N 1 0 406.527 2.166 20 0 HEADRO CCNS(=O)(=O)CCNC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000746243104 1078830060 /nfs/dbraw/zinc/83/00/60/1078830060.db2.gz DXJZZGFITUHMKG-HNNXBMFYSA-N 1 0 409.474 2.144 20 0 HEADRO 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 ZINC000746252074 1078832429 /nfs/dbraw/zinc/83/24/29/1078832429.db2.gz BJUDFJVETRAQMF-BQFCYCMXSA-N 1 0 424.586 2.032 20 0 HEADRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000770336970 1078835610 /nfs/dbraw/zinc/83/56/10/1078835610.db2.gz PHMZIIDSZFCWQA-SIKLNZKXSA-N 1 0 412.534 2.367 20 0 HEADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccccc2OCC(=O)NCC2CC2)cn1 ZINC000770387426 1078850134 /nfs/dbraw/zinc/85/01/34/1078850134.db2.gz QAPLLXRIZBNVLH-NHCUHLMSSA-N 1 0 412.534 2.413 20 0 HEADRO COCCOc1ccc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 ZINC000770394461 1078841573 /nfs/dbraw/zinc/84/15/73/1078841573.db2.gz IVTXABISBHAJRJ-UHFFFAOYSA-N 1 0 419.547 2.406 20 0 HEADRO C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000746311367 1078851355 /nfs/dbraw/zinc/85/13/55/1078851355.db2.gz OSYFKOJLSRHMFG-NHCUHLMSSA-N 1 0 406.546 2.449 20 0 HEADRO COC(=O)N1CC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000770430392 1078852124 /nfs/dbraw/zinc/85/21/24/1078852124.db2.gz NEMSGHXFVAYABF-UHFFFAOYSA-N 1 0 402.417 2.229 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000746314777 1078854670 /nfs/dbraw/zinc/85/46/70/1078854670.db2.gz GZOJPXPOXNXOLG-QPPBQGQZSA-N 1 0 407.514 2.244 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC001168779166 1078856581 /nfs/dbraw/zinc/85/65/81/1078856581.db2.gz ARUBURFTUCBFJL-RVEQVUQZSA-N 1 0 415.534 2.157 20 0 HEADRO C[C@H](CNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000746321579 1078858016 /nfs/dbraw/zinc/85/80/16/1078858016.db2.gz KSNJHYJUAOBNGC-JRGCBEDISA-N 1 0 406.546 2.307 20 0 HEADRO CN(C(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746357949 1078872823 /nfs/dbraw/zinc/87/28/23/1078872823.db2.gz UHWNGQIXVJMHLO-KRWDZBQOSA-N 1 0 405.495 2.210 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000746360098 1078874307 /nfs/dbraw/zinc/87/43/07/1078874307.db2.gz QHHWUSRFHYHPAF-UHFFFAOYSA-N 1 0 417.531 2.250 20 0 HEADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccnn2CC2CC2)[NH+]2CCCC2)cc1 ZINC000746344370 1078867424 /nfs/dbraw/zinc/86/74/24/1078867424.db2.gz OBUWBSRUQNTIOO-LJQANCHMSA-N 1 0 411.506 2.194 20 0 HEADRO C[C@@H](OC(=O)CCC(=O)c1ccccn1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000770476351 1078875053 /nfs/dbraw/zinc/87/50/53/1078875053.db2.gz UPFFTIBCURXHQP-MJGOQNOKSA-N 1 0 409.486 2.367 20 0 HEADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCC[NH+](C(C)C)C(C)C)C2=O)cc1 ZINC000746349215 1078868758 /nfs/dbraw/zinc/86/87/58/1078868758.db2.gz ZVOWLFXJNRIUOO-QFIPXVFZSA-N 1 0 418.538 2.087 20 0 HEADRO O=C(/C=C\c1cncc(O)c1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000770482943 1078876547 /nfs/dbraw/zinc/87/65/47/1078876547.db2.gz BVTIQPHIVKKVCG-PXDRNWIDSA-N 1 0 407.518 2.256 20 0 HEADRO Cc1cc(C)n(CC[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)n1 ZINC001170015209 1078880493 /nfs/dbraw/zinc/88/04/93/1078880493.db2.gz UJDCZPMYVDCQDE-SJORKVTESA-N 1 0 423.583 2.000 20 0 HEADRO COc1ccc([C@@H](CNC(=O)COC(=O)[C@@](C)(O)C(C)C)[NH+]2CCCCC2)cc1 ZINC000770558606 1078881211 /nfs/dbraw/zinc/88/12/11/1078881211.db2.gz PZIKFBGFHYRUHN-KNQAVFIVSA-N 1 0 406.523 2.289 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000770588498 1078899188 /nfs/dbraw/zinc/89/91/88/1078899188.db2.gz APZCPVYGTINPOD-ROUUACIJSA-N 1 0 411.591 2.053 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000770590681 1078899446 /nfs/dbraw/zinc/89/94/46/1078899446.db2.gz OEFANWSNOUSCSX-YOEHRIQHSA-N 1 0 402.461 2.064 20 0 HEADRO C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)OCC[NH+]2CCCCC2)C1=O ZINC000770583283 1078896449 /nfs/dbraw/zinc/89/64/49/1078896449.db2.gz IZMIHGJVJUALHR-IBGZPJMESA-N 1 0 411.861 2.275 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000105271419 1078897563 /nfs/dbraw/zinc/89/75/63/1078897563.db2.gz HDHOGUGDQFMKID-OAHLLOKOSA-N 1 0 422.576 2.472 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000770585759 1078897590 /nfs/dbraw/zinc/89/75/90/1078897590.db2.gz HBXVIXPKPLTXFM-KZNAEPCWSA-N 1 0 411.591 2.052 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000770594069 1078900379 /nfs/dbraw/zinc/90/03/79/1078900379.db2.gz IGUNUQIADYKNNZ-YOEHRIQHSA-N 1 0 402.461 2.064 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000746407242 1078903413 /nfs/dbraw/zinc/90/34/13/1078903413.db2.gz PPNRDRMIUXCRHO-NWDGAFQWSA-N 1 0 416.703 2.020 20 0 HEADRO COC(=O)C1(C)CCC(N(Cc2cnc3n2CC[NH2+]CC3)c2ccc(C)nn2)CC1 ZINC001168782124 1078905328 /nfs/dbraw/zinc/90/53/28/1078905328.db2.gz KZRYKUMUHZWTSE-UHFFFAOYSA-N 1 0 412.538 2.256 20 0 HEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000746409676 1078905750 /nfs/dbraw/zinc/90/57/50/1078905750.db2.gz KLBBSJWIJCNGMV-RDPWEWGOSA-N 1 0 405.564 2.157 20 0 HEADRO COc1ccc(C2N=NC(=S)N2CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000746409718 1078905814 /nfs/dbraw/zinc/90/58/14/1078905814.db2.gz NAVAGQYLNNBWQM-INIZCTEOSA-N 1 0 415.563 2.433 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000746423682 1078918710 /nfs/dbraw/zinc/91/87/10/1078918710.db2.gz XBRGESLJGFTGER-ZDUSSCGKSA-N 1 0 409.412 2.430 20 0 HEADRO CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770682268 1078932143 /nfs/dbraw/zinc/93/21/43/1078932143.db2.gz MUTSVNTYBVJNDE-IBGZPJMESA-N 1 0 423.517 2.431 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@@H]3C2)CC1 ZINC001168782595 1078939882 /nfs/dbraw/zinc/93/98/82/1078939882.db2.gz RTPDLLFBMPGKLG-WEQHFKKSSA-N 1 0 404.507 2.212 20 0 HEADRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C[C@@H]1C ZINC000766374306 1078942944 /nfs/dbraw/zinc/94/29/44/1078942944.db2.gz NCCAURDRYFTKEG-WIEQDCTASA-N 1 0 400.479 2.346 20 0 HEADRO Cn1ncc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1C1CC1 ZINC000770729811 1078956111 /nfs/dbraw/zinc/95/61/11/1078956111.db2.gz JZLSOTTTWBZALM-UHFFFAOYSA-N 1 0 401.536 2.326 20 0 HEADRO CC(C)(C)n1ncc2c1ncnc2NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000766410533 1078964342 /nfs/dbraw/zinc/96/43/42/1078964342.db2.gz GTBCVEPCMQJTJM-UHFFFAOYSA-N 1 0 409.542 2.386 20 0 HEADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000770699438 1078966569 /nfs/dbraw/zinc/96/65/69/1078966569.db2.gz OZFJXYJPOYONQO-UHFFFAOYSA-N 1 0 415.002 2.204 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CCCOC1 ZINC000770699745 1078967609 /nfs/dbraw/zinc/96/76/09/1078967609.db2.gz GWXZUSNTFLPZFD-FQEVSTJZSA-N 1 0 404.463 2.369 20 0 HEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000746449128 1078987115 /nfs/dbraw/zinc/98/71/15/1078987115.db2.gz NFEXDIGAVCJITC-UHFFFAOYSA-N 1 0 414.472 2.050 20 0 HEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CN1Cc2ccccc2OC1=O ZINC001168790955 1078988700 /nfs/dbraw/zinc/98/87/00/1078988700.db2.gz AHZHBZUDGLUJOU-HSZRJFAPSA-N 1 0 409.486 2.096 20 0 HEADRO Cc1[nH]nc(Br)c1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001168790963 1078988778 /nfs/dbraw/zinc/98/87/78/1078988778.db2.gz APEIOGOCFOWOGO-GOSISDBHSA-N 1 0 407.312 2.190 20 0 HEADRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)nn1 ZINC000746448636 1078990143 /nfs/dbraw/zinc/99/01/43/1078990143.db2.gz CGCGLVWQSMOKNV-KRWDZBQOSA-N 1 0 407.312 2.463 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H](Nc2cccc(C[NH3+])c2)C[C@H]1C(=O)N1CCSC1 ZINC001170017124 1078991119 /nfs/dbraw/zinc/99/11/19/1078991119.db2.gz AFZIFNUZWUTARH-IRXDYDNUSA-N 1 0 406.552 2.468 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)cc1F ZINC000746449838 1078991272 /nfs/dbraw/zinc/99/12/72/1078991272.db2.gz ILSLADWMMUHTRY-BFUOFWGJSA-N 1 0 420.460 2.337 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2CC[C@H]3O[C@@H](C(=O)N(C)Cc4ccccn4)C[C@H]32)CC1 ZINC001168791235 1078992301 /nfs/dbraw/zinc/99/23/01/1078992301.db2.gz WCKGQGYTJKEURR-OPTUMSPOSA-N 1 0 415.534 2.394 20 0 HEADRO C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C[C@H]1C ZINC000766445763 1078993498 /nfs/dbraw/zinc/99/34/98/1078993498.db2.gz LTWUDUFSMAEYDY-BZUAXINKSA-N 1 0 418.581 2.205 20 0 HEADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000804278775 1078994522 /nfs/dbraw/zinc/99/45/22/1078994522.db2.gz JMEJEHVIFMHQGE-PZJWPPBQSA-N 1 0 407.514 2.135 20 0 HEADRO COC(=O)[C@H]1C[N@@H+](C2CCC(C)(C(=O)OC)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001168794237 1079002023 /nfs/dbraw/zinc/00/20/23/1079002023.db2.gz OFSJMYUMCIGOPU-AQZMIJIOSA-N 1 0 412.527 2.497 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)CO)C[C@H]1C(=O)N1CCSC1 ZINC001170017686 1079016634 /nfs/dbraw/zinc/01/66/34/1079016634.db2.gz DHKRAVDTAQZKAE-HOTGVXAUSA-N 1 0 415.600 2.286 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCC3(CO)CCCC3)cc2)CC1 ZINC000770799935 1079023075 /nfs/dbraw/zinc/02/30/75/1079023075.db2.gz IIWHLBAXODFLSH-UHFFFAOYSA-N 1 0 416.566 2.072 20 0 HEADRO CCN(c1ccc(NC(=O)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1)C(C)C ZINC000770804401 1079025672 /nfs/dbraw/zinc/02/56/72/1079025672.db2.gz VMLAPGIHSBEULP-GOSISDBHSA-N 1 0 403.571 2.002 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000770805582 1079026614 /nfs/dbraw/zinc/02/66/14/1079026614.db2.gz ZKTSKUFSZLXNPH-OAHLLOKOSA-N 1 0 422.620 2.246 20 0 HEADRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000746476199 1079030047 /nfs/dbraw/zinc/03/00/47/1079030047.db2.gz VMQNWUNSVRRROS-WMZOPIPTSA-N 1 0 421.542 2.105 20 0 HEADRO COC1CCC(C[NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CC1 ZINC000766493666 1079031643 /nfs/dbraw/zinc/03/16/43/1079031643.db2.gz BNVLURIIZOCBKG-SYJJWHGVSA-N 1 0 418.581 2.268 20 0 HEADRO COc1ccc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)nc1Cl ZINC000766482484 1079034535 /nfs/dbraw/zinc/03/45/35/1079034535.db2.gz OPDLGDJJWAIHGT-INIZCTEOSA-N 1 0 416.909 2.371 20 0 HEADRO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000746482562 1079041127 /nfs/dbraw/zinc/04/11/27/1079041127.db2.gz PTCGOVKEFSATOD-OAHLLOKOSA-N 1 0 411.493 2.166 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1 ZINC000746482657 1079041138 /nfs/dbraw/zinc/04/11/38/1079041138.db2.gz JPGIJJPANXKWMI-IBGZPJMESA-N 1 0 401.532 2.235 20 0 HEADRO O=C(CN1CC[NH+](CCCCO)CC1)Nc1ccccc1C(=O)Nc1ccccc1 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C[C@H]1C[C@@H](N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)CN1C(=O)OC(C)(C)C ZINC001168853689 1079053157 /nfs/dbraw/zinc/05/31/57/1079053157.db2.gz FGGXDLIEDUDYRD-QXCZDIPSSA-N 1 0 417.554 2.305 20 0 HEADRO C[C@@H]1C[C@H](N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168860599 1079055708 /nfs/dbraw/zinc/05/57/08/1079055708.db2.gz VZWORMLBADCAQY-OWSLCNJRSA-N 1 0 403.527 2.012 20 0 HEADRO C[C@H]1C[C@H](n2nc(C(=O)NCC3CC3)c3c2CC[NH2+]C3)CN1C(=O)OC(C)(C)C ZINC001168862074 1079056871 /nfs/dbraw/zinc/05/68/71/1079056871.db2.gz COCMOMUHMIBXKE-ZFWWWQNUSA-N 1 0 403.527 2.239 20 0 HEADRO C[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168866278 1079057774 /nfs/dbraw/zinc/05/77/74/1079057774.db2.gz NWYLOSKJDDLZQC-OWYHZJEWSA-N 1 0 400.523 2.483 20 0 HEADRO C[C@@H]1C[C@H]([N@@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168844811 1079059882 /nfs/dbraw/zinc/05/98/82/1079059882.db2.gz DSCVBWAJAZRVNK-ICBNADEASA-N 1 0 407.555 2.486 20 0 HEADRO COCCN1CCOC[C@]2(CCC[N@@H+]([C@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850732 1079061673 /nfs/dbraw/zinc/06/16/73/1079061673.db2.gz QVVOERFPZLYKLV-CNNODRBYSA-N 1 0 411.587 2.445 20 0 HEADRO C[NH+]1CCC(NC(=O)c2ccc(N[C@H]3CCCN(C(=O)c4ccccc4)C3)nn2)CC1 ZINC001168895112 1079063814 /nfs/dbraw/zinc/06/38/14/1079063814.db2.gz BBMHWJSSKBLLCG-IBGZPJMESA-N 1 0 422.533 2.017 20 0 HEADRO O=C1CCc2cc(OC[C@H](O)C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)ccc2N1 ZINC001168885969 1079068825 /nfs/dbraw/zinc/06/88/25/1079068825.db2.gz PEALWJCPRADZGX-ZHALLVOQSA-N 1 0 406.548 2.298 20 0 HEADRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000766534140 1079070066 /nfs/dbraw/zinc/07/00/66/1079070066.db2.gz HDPHRKPGFGSZSW-ZBFHGGJFSA-N 1 0 402.607 2.207 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2=O)cc1 ZINC001168910182 1079073189 /nfs/dbraw/zinc/07/31/89/1079073189.db2.gz SMFJCGLWBDFFAK-HZPDHXFCSA-N 1 0 413.440 2.329 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000766539548 1079073966 /nfs/dbraw/zinc/07/39/66/1079073966.db2.gz BSYHERNWAGFWAX-SCTDSRPQSA-N 1 0 422.595 2.432 20 0 HEADRO CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000770915712 1079075866 /nfs/dbraw/zinc/07/58/66/1079075866.db2.gz XUVRVDGMLRGNGO-MAUKXSAKSA-N 1 0 403.504 2.057 20 0 HEADRO CCCNC(=O)COC1CC[NH+]([C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168958817 1079091749 /nfs/dbraw/zinc/09/17/49/1079091749.db2.gz QAMNVZZSOFHZQJ-LJQANCHMSA-N 1 0 417.550 2.193 20 0 HEADRO COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC001168951252 1079085340 /nfs/dbraw/zinc/08/53/40/1079085340.db2.gz YRNZNDBDNIUVRT-QFBILLFUSA-N 1 0 410.474 2.487 20 0 HEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCOC4)C[C@@]2(C)C1 ZINC001168929173 1079088139 /nfs/dbraw/zinc/08/81/39/1079088139.db2.gz GGWCDYDTVKDHOY-FBEWHJACSA-N 1 0 407.555 2.060 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@H](Oc4ncc(OC)cn4)C3)CC2=O)cc1 ZINC001168956664 1079090831 /nfs/dbraw/zinc/09/08/31/1079090831.db2.gz WTUMFBSROMKPAP-HKUYNNGSSA-N 1 0 412.490 2.138 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC000766558325 1079091076 /nfs/dbraw/zinc/09/10/76/1079091076.db2.gz DVZKTGPHFIKDSV-CEXWTWQISA-N 1 0 418.538 2.430 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@@H](Oc4nccc(OC)n4)C3)CC2=O)cc1 ZINC001168956816 1079091303 /nfs/dbraw/zinc/09/13/03/1079091303.db2.gz FQCUWIHJDZUJHO-PKOBYXMFSA-N 1 0 412.490 2.138 20 0 HEADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N(C)S(=O)(=O)CC[NH3+])c23)C1 ZINC001156239534 1079093303 /nfs/dbraw/zinc/09/33/03/1079093303.db2.gz UFWCPKZPJDVSNF-CYBMUJFWSA-N 1 0 423.608 2.137 20 0 HEADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000770997305 1079099002 /nfs/dbraw/zinc/09/90/02/1079099002.db2.gz GUSCZNRTEVALCJ-KBPBESRZSA-N 1 0 421.485 2.363 20 0 HEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(N2CCOCC2)c1 ZINC000766564153 1079099906 /nfs/dbraw/zinc/09/99/06/1079099906.db2.gz QOSYDEOGDCFBHW-AWEZNQCLSA-N 1 0 421.485 2.488 20 0 HEADRO CCCCN(C)CC[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170020334 1079100337 /nfs/dbraw/zinc/10/03/37/1079100337.db2.gz OLFWNCPEZXHCPC-IRXDYDNUSA-N 1 0 414.616 2.219 20 0 HEADRO C[NH+]1CCN(C[C@@H](NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)c2ccccc2)CC1 ZINC000746210317 1079102014 /nfs/dbraw/zinc/10/20/14/1079102014.db2.gz ONVOAOYVFCGGAD-HXUWFJFHSA-N 1 0 416.566 2.348 20 0 HEADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001169041957 1079108263 /nfs/dbraw/zinc/10/82/63/1079108263.db2.gz UHBPRQDWFPDKTG-UFYCRDLUSA-N 1 0 405.564 2.066 20 0 HEADRO CC(C)[C@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000746272064 1079124347 /nfs/dbraw/zinc/12/43/47/1079124347.db2.gz JEYIATQCOXNIHL-AVRDEDQJSA-N 1 0 405.539 2.289 20 0 HEADRO CC(C)[C@@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000746272070 1079124384 /nfs/dbraw/zinc/12/43/84/1079124384.db2.gz JEYIATQCOXNIHL-XMSQKQJNSA-N 1 0 405.539 2.289 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000766590975 1079128974 /nfs/dbraw/zinc/12/89/74/1079128974.db2.gz DDGIKKMBXKIGAS-GOSISDBHSA-N 1 0 416.566 2.431 20 0 HEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1N1CCSCC1 ZINC000766586127 1079136056 /nfs/dbraw/zinc/13/60/56/1079136056.db2.gz SVIQFWIHIHXXOH-YLJYHZDGSA-N 1 0 416.591 2.429 20 0 HEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1N1CCSCC1 ZINC000766586120 1079136076 /nfs/dbraw/zinc/13/60/76/1079136076.db2.gz SVIQFWIHIHXXOH-PXNSSMCTSA-N 1 0 416.591 2.429 20 0 HEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1N1CCSCC1 ZINC000766586118 1079136082 /nfs/dbraw/zinc/13/60/82/1079136082.db2.gz SVIQFWIHIHXXOH-FXAWDEMLSA-N 1 0 416.591 2.429 20 0 HEADRO COCCC1(C[NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CCC1 ZINC000766599794 1079147647 /nfs/dbraw/zinc/14/76/47/1079147647.db2.gz YUPRCEKNYWKDBB-HNNXBMFYSA-N 1 0 418.581 2.270 20 0 HEADRO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766587456 1079139211 /nfs/dbraw/zinc/13/92/11/1079139211.db2.gz YXNGTYOEYJCDGT-CZUORRHYSA-N 1 0 406.595 2.349 20 0 HEADRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CCN1c1nccn2cnnc12 ZINC000771118487 1079140385 /nfs/dbraw/zinc/14/03/85/1079140385.db2.gz CEYIJYDBVULQLH-CZUORRHYSA-N 1 0 406.412 2.387 20 0 HEADRO C[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)[NH+]1CCCCC1 ZINC000771121310 1079142080 /nfs/dbraw/zinc/14/20/80/1079142080.db2.gz IPCVVXBQQCRYJO-XCLFUZPHSA-N 1 0 424.904 2.237 20 0 HEADRO C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CCC(CCC[NH+](C)C)CC3)cc2)CCO1 ZINC000766598017 1079144017 /nfs/dbraw/zinc/14/40/17/1079144017.db2.gz YCOXHSWSWAXZPA-SFHVURJKSA-N 1 0 416.566 2.431 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128289 1079147211 /nfs/dbraw/zinc/14/72/11/1079147211.db2.gz CFTLOQXMBYZKCP-VQQMMKBISA-N 1 0 400.498 2.288 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCOC[C@]3(CN(c4ccc(F)c(F)c4)C(=O)CO3)C1)C2 ZINC001169131206 1079151415 /nfs/dbraw/zinc/15/14/15/1079151415.db2.gz RPGDHWNITLGKBG-QKZPVBNUSA-N 1 0 421.488 2.024 20 0 HEADRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CNc3ccc(S(C)(=O)=O)cc3)C2)c1 ZINC001169149874 1079166700 /nfs/dbraw/zinc/16/67/00/1079166700.db2.gz OYKUMHIUMGMUPG-LJQANCHMSA-N 1 0 401.532 2.201 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccnc2ccccc12 ZINC001169165019 1079172933 /nfs/dbraw/zinc/17/29/33/1079172933.db2.gz YIPFQRUPYXIBHZ-MRXNPFEDSA-N 1 0 420.517 2.331 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001169191706 1079179595 /nfs/dbraw/zinc/17/95/95/1079179595.db2.gz NWPMFCXRHFEROO-ROUUACIJSA-N 1 0 423.561 2.387 20 0 HEADRO Cc1ncccc1[C@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC001169191659 1079179620 /nfs/dbraw/zinc/17/96/20/1079179620.db2.gz MUBVGFOUERDOBW-DNVCBOLYSA-N 1 0 424.549 2.437 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1ccc2ccc(C[NH3+])cc21 ZINC001169166252 1079174241 /nfs/dbraw/zinc/17/42/41/1079174241.db2.gz AIGFPLYBTWCIQW-HNNXBMFYSA-N 1 0 408.506 2.279 20 0 HEADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000766606620 1079175283 /nfs/dbraw/zinc/17/52/83/1079175283.db2.gz OWAYDMJWXCPMQZ-UHFFFAOYSA-N 1 0 402.495 2.305 20 0 HEADRO Cc1cc([C@@H]2CCC[N@H+]2[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)no1 ZINC001169191368 1079179771 /nfs/dbraw/zinc/17/97/71/1079179771.db2.gz MPBNJKISQXDRJC-YOEHRIQHSA-N 1 0 414.510 2.126 20 0 HEADRO COc1ccccc1C[N@H+](C)[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169201129 1079183680 /nfs/dbraw/zinc/18/36/80/1079183680.db2.gz GLMDLTDBFCVRCJ-INIZCTEOSA-N 1 0 413.522 2.133 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccccc2CO)C[C@H]1C(=O)N1CCSC1 ZINC001170022478 1079189837 /nfs/dbraw/zinc/18/98/37/1079189837.db2.gz QDCLTWDHOJPANB-ROUUACIJSA-N 1 0 421.563 2.179 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H](C)c1ccc(O)cc1 ZINC001169172925 1079187947 /nfs/dbraw/zinc/18/79/47/1079187947.db2.gz AKFHUMMYHLMKRY-HZPDHXFCSA-N 1 0 413.522 2.091 20 0 HEADRO Cc1ccc(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c(F)c1 ZINC001169173183 1079188060 /nfs/dbraw/zinc/18/80/60/1079188060.db2.gz ZIZWGAYRGUCOSN-HNNXBMFYSA-N 1 0 401.486 2.230 20 0 HEADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC001169175253 1079189169 /nfs/dbraw/zinc/18/91/69/1079189169.db2.gz CBTOYOGLXZXDGD-LLGFUMIMSA-N 1 0 406.527 2.422 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001169176765 1079190125 /nfs/dbraw/zinc/19/01/25/1079190125.db2.gz PQLDWJSALKEBNL-FHLIZLRMSA-N 1 0 413.497 2.277 20 0 HEADRO CC(C)[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccnc1 ZINC001169178562 1079191881 /nfs/dbraw/zinc/19/18/81/1079191881.db2.gz ZFSSCQPKFHFMBQ-FUHWJXTLSA-N 1 0 412.538 2.374 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1ccc2cc(CC[NH3+])ccc21 ZINC001169180461 1079193087 /nfs/dbraw/zinc/19/30/87/1079193087.db2.gz GBNYXKJWVWZFFG-MRXNPFEDSA-N 1 0 422.533 2.321 20 0 HEADRO CC[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771145521 1079193280 /nfs/dbraw/zinc/19/32/80/1079193280.db2.gz OOLQRIGQBWBTLO-XCLFUZPHSA-N 1 0 424.904 2.094 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CC2(C1)CC(F)(F)C2 ZINC001169180463 1079193367 /nfs/dbraw/zinc/19/33/67/1079193367.db2.gz GBOPOHMNIPQXDD-ZDUSSCGKSA-N 1 0 409.481 2.160 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(c2ccccc2F)CC1 ZINC001169181174 1079193816 /nfs/dbraw/zinc/19/38/16/1079193816.db2.gz LSEQKUSIAXRXFR-OAHLLOKOSA-N 1 0 413.497 2.411 20 0 HEADRO Cc1noc2ccc(C[NH2+][C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)cc12 ZINC001169183275 1079194346 /nfs/dbraw/zinc/19/43/46/1079194346.db2.gz IMRSJFZSDLZMQF-CQSZACIVSA-N 1 0 424.505 2.232 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1sccc1Cl ZINC001169183558 1079195022 /nfs/dbraw/zinc/19/50/22/1079195022.db2.gz KKGCDYUFVYJEMZ-LBPRGKRZSA-N 1 0 409.943 2.497 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)C1 ZINC000771167368 1079205284 /nfs/dbraw/zinc/20/52/84/1079205284.db2.gz GWOPCTMFPVXLGM-MRXNPFEDSA-N 1 0 419.526 2.189 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(Cn3nc(-c4ccccn4)n(C)c3=S)CC2)CC1 ZINC000771173947 1079208571 /nfs/dbraw/zinc/20/85/71/1079208571.db2.gz JLFVVKWKABHLSP-UHFFFAOYSA-N 1 0 415.611 2.461 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(CN3C(=O)[C@@H](C)N(c4ccccc4)C3=O)CC2)CC1 ZINC000771175905 1079209249 /nfs/dbraw/zinc/20/92/49/1079209249.db2.gz TYWKHADVVXTNCL-LJQANCHMSA-N 1 0 413.566 2.292 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)CCc3nc(-c4ccccn4)no3)CC[NH2+]2)c1 ZINC001169250170 1079211830 /nfs/dbraw/zinc/21/18/30/1079211830.db2.gz HMIGESZCEGWGJY-KRWDZBQOSA-N 1 0 407.474 2.116 20 0 HEADRO CCN1CCC([N@@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)CC1 ZINC001169251167 1079212357 /nfs/dbraw/zinc/21/23/57/1079212357.db2.gz UYRAJDCYZQUINF-IFMALSPDSA-N 1 0 405.608 2.439 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000766642722 1079214759 /nfs/dbraw/zinc/21/47/59/1079214759.db2.gz BQFKMQLZJWILCD-ACRUOGEOSA-N 1 0 415.534 2.093 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170023103 1079215456 /nfs/dbraw/zinc/21/54/56/1079215456.db2.gz UMUGKFWSCDQDAJ-JYJNAYRXSA-N 1 0 413.584 2.445 20 0 HEADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000766648122 1079216586 /nfs/dbraw/zinc/21/65/86/1079216586.db2.gz HHTXVFOKRYZKBX-FOIQADDNSA-N 1 0 417.481 2.333 20 0 HEADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000766650281 1079218870 /nfs/dbraw/zinc/21/88/70/1079218870.db2.gz JUFVZWMGOMRDQL-FOIQADDNSA-N 1 0 417.481 2.333 20 0 HEADRO Cc1cc(C(=O)NC2CCN(C(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)CC2)no1 ZINC000062500193 1079225420 /nfs/dbraw/zinc/22/54/20/1079225420.db2.gz YQJSPWXMEPUGLR-OAHLLOKOSA-N 1 0 405.543 2.397 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)CO1 ZINC001169350588 1079234388 /nfs/dbraw/zinc/23/43/88/1079234388.db2.gz JYDAJMASSDIECK-NVXWUHKLSA-N 1 0 402.447 2.130 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCS(=O)(=O)CC2)CO1 ZINC001169351385 1079234914 /nfs/dbraw/zinc/23/49/14/1079234914.db2.gz MLDDKNAACGEBLC-ROUUACIJSA-N 1 0 413.511 2.016 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC(Cc3cccnc3)CC2)CC1 ZINC000771224925 1079237405 /nfs/dbraw/zinc/23/74/05/1079237405.db2.gz PUODAFIITOYHLZ-UHFFFAOYSA-N 1 0 421.545 2.253 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000771287411 1079241329 /nfs/dbraw/zinc/24/13/29/1079241329.db2.gz LKZNZWHCKOOVJK-AEFFLSMTSA-N 1 0 404.511 2.362 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]3(CN(C(=O)OC(C)(C)C)CCO3)C2)CO1 ZINC001169376429 1079246371 /nfs/dbraw/zinc/24/63/71/1079246371.db2.gz YHHKKSKSPDDIIH-LLGFUMIMSA-N 1 0 412.527 2.199 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](C2COC2)C2CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169408675 1079253190 /nfs/dbraw/zinc/25/31/90/1079253190.db2.gz FMAPDFQACWELBS-AEFFLSMTSA-N 1 0 412.527 2.197 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CO1 ZINC001169390869 1079260984 /nfs/dbraw/zinc/26/09/84/1079260984.db2.gz XLYZEFGKKTYFLS-CNNODRBYSA-N 1 0 404.482 2.361 20 0 HEADRO COC(=O)c1c(I)cccc1-n1nnc2ccc(C[NH3+])cc21 ZINC001170024378 1079264066 /nfs/dbraw/zinc/26/40/66/1079264066.db2.gz VYOLPIXIGHNDIX-UHFFFAOYSA-N 1 0 408.199 2.270 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(C2)COCCN(Cc2ccccn2)C3)CO1 ZINC001169398672 1079271922 /nfs/dbraw/zinc/27/19/22/1079271922.db2.gz SSMXSXXQTVBLQB-FUDKSRODSA-N 1 0 417.550 2.107 20 0 HEADRO Cc1[nH]c(=O)c(CNc2ccc(C(=O)NC3CC[NH+](C)CC3)nn2)c2c1CCCC2 ZINC001169400995 1079274551 /nfs/dbraw/zinc/27/45/51/1079274551.db2.gz KNWKENSDMIBLJR-UHFFFAOYSA-N 1 0 410.522 2.201 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCCN(c2nccs2)C3)CO1 ZINC001169397933 1079270166 /nfs/dbraw/zinc/27/01/66/1079270166.db2.gz OKUKTWBBGDJYNR-SJORKVTESA-N 1 0 409.552 2.173 20 0 HEADRO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+]([C@H]3CC[C@@H](C(=O)OCC)OC3)C2)cc1 ZINC001169416236 1079276562 /nfs/dbraw/zinc/27/65/62/1079276562.db2.gz BCBLITSGKKJUTR-IHPCNDPISA-N 1 0 404.507 2.390 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CO1 ZINC001169418893 1079278657 /nfs/dbraw/zinc/27/86/57/1079278657.db2.gz KJHHCZIUMZJMSH-MCIONIFRSA-N 1 0 403.401 2.449 20 0 HEADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)CC1 ZINC001169419475 1079278793 /nfs/dbraw/zinc/27/87/93/1079278793.db2.gz HJGLXSRECIDDJN-ZWKOTPCHSA-N 1 0 408.543 2.163 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](CCOC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001169421300 1079279876 /nfs/dbraw/zinc/27/98/76/1079279876.db2.gz XQTOABJECODVDZ-KURKYZTESA-N 1 0 414.543 2.445 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@H+](CCOC)C2CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169410712 1079286509 /nfs/dbraw/zinc/28/65/09/1079286509.db2.gz OYJMUVKINANFGN-ZWKOTPCHSA-N 1 0 414.543 2.445 20 0 HEADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(CC[NH+](C)C)cc2)C1=O ZINC000771326075 1079287857 /nfs/dbraw/zinc/28/78/57/1079287857.db2.gz PODMCIGJQSCZHO-QHCPKHFHSA-N 1 0 424.501 2.205 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1 ZINC000771328288 1079289909 /nfs/dbraw/zinc/28/99/09/1079289909.db2.gz SGJLHKNNZZSTBJ-UHFFFAOYSA-N 1 0 405.543 2.123 20 0 HEADRO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2ccc(C)cc2C[NH+](C)C)c1 ZINC001169441790 1079292074 /nfs/dbraw/zinc/29/20/74/1079292074.db2.gz KPXYCQFHZSRIJH-HXUWFJFHSA-N 1 0 401.507 2.336 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]12NC(=O)N(CC[NH+]1CCCCC1)C2=O ZINC000766710481 1079297431 /nfs/dbraw/zinc/29/74/31/1079297431.db2.gz FMGBPWMQQHLQSB-IIBYNOLFSA-N 1 0 408.543 2.478 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000771343334 1079299429 /nfs/dbraw/zinc/29/94/29/1079299429.db2.gz GZDCOFDKCICUQI-QGZVFWFLSA-N 1 0 411.591 2.005 20 0 HEADRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@H](CO)[C@H](O)C1CCCCC1 ZINC001169429748 1079300028 /nfs/dbraw/zinc/30/00/28/1079300028.db2.gz RWWYFDIOWDNAOS-IFMALSPDSA-N 1 0 423.985 2.270 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@H]2C[C@H](C(=O)NCc3cccs3)O[C@@H]2C1 ZINC001169476950 1079303411 /nfs/dbraw/zinc/30/34/11/1079303411.db2.gz UNDBVYANHJVRPK-RNIPGJKVSA-N 1 0 407.580 2.491 20 0 HEADRO CC[NH+](CC)C1CCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 ZINC000052050122 1079304168 /nfs/dbraw/zinc/30/41/68/1079304168.db2.gz QMFILCGSPINEAR-NRFANRHFSA-N 1 0 414.550 2.174 20 0 HEADRO 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414.527 2.254 20 0 HEADRO COC(=O)C1=C(CN(C)C[C@@H]2CCC[N@H+](C)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000741250159 1076420223 /nfs/dbraw/zinc/42/02/23/1076420223.db2.gz IQVAJVVHKSAUAW-UZLBHIALSA-N 1 0 400.523 2.083 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CCO1 ZINC000741267043 1076436799 /nfs/dbraw/zinc/43/67/99/1076436799.db2.gz PYFWDPWEISWCIR-IRXDYDNUSA-N 1 0 409.552 2.495 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](O)c3c(F)cccc3Cl)cn2)CC1 ZINC000741268873 1076437966 /nfs/dbraw/zinc/43/79/66/1076437966.db2.gz FNRPXPPTQRPIDG-QGZVFWFLSA-N 1 0 421.904 2.159 20 0 HEADRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000741260283 1076447537 /nfs/dbraw/zinc/44/75/37/1076447537.db2.gz GQYFUROJBVBUFK-UHFFFAOYSA-N 1 0 411.955 2.480 20 0 HEADRO CCOC(=O)C1CCN(C(=O)COC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000741314599 1076465676 /nfs/dbraw/zinc/46/56/76/1076465676.db2.gz FGYRTGNVXNZPDB-FQEVSTJZSA-N 1 0 416.518 2.244 20 0 HEADRO 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S=c1n(CN2CC[C@@H]([NH+]3CC=CC3)C2)nc(N2CCCCC2)n1C[C@@H]1CCCO1 ZINC000742164243 1076761030 /nfs/dbraw/zinc/76/10/30/1076761030.db2.gz YSSFITWMBZYEIT-MOPGFXCFSA-N 1 0 418.611 2.487 20 0 HEADRO S=c1n(CN2CC[C@@H](C[NH+]3CCOCC3)C2)nc(N2CCCCC2)n1C1CC1 ZINC000742160899 1076771666 /nfs/dbraw/zinc/77/16/66/1076771666.db2.gz ATGKDKRLTVHMOD-KRWDZBQOSA-N 1 0 406.600 2.351 20 0 HEADRO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000742161053 1076772830 /nfs/dbraw/zinc/77/28/30/1076772830.db2.gz DLQWKJXJSAGNRY-HRAATJIYSA-N 1 0 420.941 2.109 20 0 HEADRO C[NH+]1CCC2(CCN2C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000742186014 1076775502 /nfs/dbraw/zinc/77/55/02/1076775502.db2.gz PZDKDESTDOPQGE-CQSZACIVSA-N 1 0 406.324 2.499 20 0 HEADRO C[NH+]1CCC2(CCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000742187108 1076777071 /nfs/dbraw/zinc/77/70/71/1076777071.db2.gz KDGPZMLHAORCTF-UHFFFAOYSA-N 1 0 411.955 2.435 20 0 HEADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(Br)nc2)[NH+](C)C)c1 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NNHBGVSTVGNSNW-UHFFFAOYSA-N 1 0 408.506 2.302 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)C1 ZINC000742344163 1076831301 /nfs/dbraw/zinc/83/13/01/1076831301.db2.gz QKMKSSPEBRVEDJ-GOSISDBHSA-N 1 0 409.552 2.001 20 0 HEADRO Cc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)[NH+](C)C)cc1 ZINC000742396784 1076834208 /nfs/dbraw/zinc/83/42/08/1076834208.db2.gz GXNXMCUXGHTNAN-QGZVFWFLSA-N 1 0 405.520 2.405 20 0 HEADRO NC(=O)[C@@H]1CC(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000742485130 1076846672 /nfs/dbraw/zinc/84/66/72/1076846672.db2.gz WPIPXIVEAQWUQB-KNQAVFIVSA-N 1 0 419.529 2.135 20 0 HEADRO Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000742598113 1076854696 /nfs/dbraw/zinc/85/46/96/1076854696.db2.gz DEAAJFHEDNNNJV-JKSUJKDBSA-N 1 0 411.531 2.448 20 0 HEADRO CC(C)n1ccc(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1 ZINC000742671329 1076863263 /nfs/dbraw/zinc/86/32/63/1076863263.db2.gz IKQJNZBICXWFMB-UHFFFAOYSA-N 1 0 403.571 2.237 20 0 HEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)CC2)C1 ZINC000742680511 1076864485 /nfs/dbraw/zinc/86/44/85/1076864485.db2.gz PUEYOVDUDKQUTR-INIZCTEOSA-N 1 0 406.527 2.156 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000742731292 1076871077 /nfs/dbraw/zinc/87/10/77/1076871077.db2.gz KLKWSFRWEJLISG-GDBMZVCRSA-N 1 0 402.992 2.415 20 0 HEADRO Cc1c(C(=O)NCC[C@H](O)c2ccccc2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000742823113 1076883384 /nfs/dbraw/zinc/88/33/84/1076883384.db2.gz LFKIBLXIHDHONZ-NRFANRHFSA-N 1 0 405.502 2.417 20 0 HEADRO CC(C)[C@H](CNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000742833844 1076885424 /nfs/dbraw/zinc/88/54/24/1076885424.db2.gz IVQAZOCHTBBUEP-IBGZPJMESA-N 1 0 410.603 2.412 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C1 ZINC000742880976 1076888651 /nfs/dbraw/zinc/88/86/51/1076888651.db2.gz VGRYKMWYMBRHIW-CQSZACIVSA-N 1 0 417.959 2.326 20 0 HEADRO 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CC(C)N(CCS(C)(=O)=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000768076383 1080329985 /nfs/dbraw/zinc/32/99/85/1080329985.db2.gz VXDSIFQSMRYFEX-UHFFFAOYSA-N 1 0 411.568 2.126 20 0 HEADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1)[NH+](C)C ZINC000786025489 1080340165 /nfs/dbraw/zinc/34/01/65/1080340165.db2.gz OMDLZIQXDPJPPJ-LAUBAEHRSA-N 1 0 420.517 2.381 20 0 HEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768145294 1080353315 /nfs/dbraw/zinc/35/33/15/1080353315.db2.gz DVPAEIHYBDQRLU-CSNJMZFVSA-N 1 0 407.555 2.249 20 0 HEADRO CO[C@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC[C@H]1C ZINC000786001146 1080360395 /nfs/dbraw/zinc/36/03/95/1080360395.db2.gz JMCFSEJJXRUKNH-UZLBHIALSA-N 1 0 402.539 2.039 20 0 HEADRO COCc1cccc(CNC(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)c1 ZINC000786096743 1080391391 /nfs/dbraw/zinc/39/13/91/1080391391.db2.gz OVGDZLWHFXWEKM-UHFFFAOYSA-N 1 0 404.507 2.028 20 0 HEADRO COc1ccccc1[C@@H](C)NC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786098584 1080394032 /nfs/dbraw/zinc/39/40/32/1080394032.db2.gz RWAZTHMSDKHVDU-QGZVFWFLSA-N 1 0 404.507 2.451 20 0 HEADRO C[C@@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)NC(=O)Nc1ccccc1F ZINC000786099370 1080394674 /nfs/dbraw/zinc/39/46/74/1080394674.db2.gz VSMUAKUSKYERPF-OAHLLOKOSA-N 1 0 421.469 2.441 20 0 HEADRO O=C(COC(=O)CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000786099300 1080394720 /nfs/dbraw/zinc/39/47/20/1080394720.db2.gz HWDCKALMNASMPE-GOSISDBHSA-N 1 0 402.491 2.205 20 0 HEADRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000786101246 1080396577 /nfs/dbraw/zinc/39/65/77/1080396577.db2.gz RMSKXJLXJAEWNA-UHFFFAOYSA-N 1 0 405.882 2.426 20 0 HEADRO COc1ccccc1CN(C)C(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786106302 1080399500 /nfs/dbraw/zinc/39/95/00/1080399500.db2.gz SICMIGDFCDKJCM-UHFFFAOYSA-N 1 0 404.507 2.232 20 0 HEADRO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786107340 1080400171 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JKRDPWHMISGCPM-GOSISDBHSA-N 1 0 424.586 2.127 20 0 HEADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)[C@H](C)N1CCOCC1 ZINC000768217295 1080421343 /nfs/dbraw/zinc/42/13/43/1080421343.db2.gz LXBINDHEIJJLML-JKBKZWBZSA-N 1 0 405.539 2.111 20 0 HEADRO C[C@@H]([NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1)[C@@H](C)N1CCOCC1 ZINC000768217296 1080421531 /nfs/dbraw/zinc/42/15/31/1080421531.db2.gz LXBINDHEIJJLML-RCLSDMTESA-N 1 0 405.539 2.111 20 0 HEADRO O=C(NCCc1cn2ccccc2n1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000786155255 1080429229 /nfs/dbraw/zinc/42/92/29/1080429229.db2.gz GKNUVNPFQBOITL-UHFFFAOYSA-N 1 0 411.550 2.154 20 0 HEADRO O=C(NCC[N@@H+]1CCCOCC1)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000768224697 1080429391 /nfs/dbraw/zinc/42/93/91/1080429391.db2.gz MWZMODJWFFDDSP-SFHVURJKSA-N 1 0 400.523 2.035 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)Cc1ccccc1C ZINC000786158601 1080432153 /nfs/dbraw/zinc/43/21/53/1080432153.db2.gz QPPWLRABNLLFBE-IRXDYDNUSA-N 1 0 411.955 2.206 20 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O=C(NCCO)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000768316117 1080502126 /nfs/dbraw/zinc/50/21/26/1080502126.db2.gz CXIYEUCJTOPFBM-UHFFFAOYSA-N 1 0 405.502 2.255 20 0 HEADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C1(C)CCCC1 ZINC000786217810 1080503437 /nfs/dbraw/zinc/50/34/37/1080503437.db2.gz BBAHMMVDFIKCSD-LICLKQGHSA-N 1 0 405.564 2.396 20 0 HEADRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCC(C(=O)NCCO)CC3)c21 ZINC000768318628 1080505937 /nfs/dbraw/zinc/50/59/37/1080505937.db2.gz MGNWRVDDQMGAOZ-UHFFFAOYSA-N 1 0 403.523 2.305 20 0 HEADRO C[C@@H](c1nccs1)N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000768362458 1080512557 /nfs/dbraw/zinc/51/25/57/1080512557.db2.gz MCRXZTFFCDNDBW-FUHWJXTLSA-N 1 0 407.584 2.175 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(C)CCO[C@@H]3C3CC3)cc2)CC1 ZINC000768368904 1080517296 /nfs/dbraw/zinc/51/72/96/1080517296.db2.gz VFWHTTQONNQDQN-NFBKMPQASA-N 1 0 414.550 2.088 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000786274151 1080522462 /nfs/dbraw/zinc/52/24/62/1080522462.db2.gz YIFNMMHWEZBRQV-MRXNPFEDSA-N 1 0 401.511 2.242 20 0 HEADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(CCC(=O)OC)c2)CC1 ZINC000786282767 1080528017 /nfs/dbraw/zinc/52/80/17/1080528017.db2.gz QNBAJRMBTXROML-UHFFFAOYSA-N 1 0 403.523 2.311 20 0 HEADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000804368212 1080533059 /nfs/dbraw/zinc/53/30/59/1080533059.db2.gz AFWRCBSCXJWRJZ-LJQANCHMSA-N 1 0 413.440 2.153 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000786290615 1080535730 /nfs/dbraw/zinc/53/57/30/1080535730.db2.gz AUYFBCGOKXTIKP-BBWFWOEESA-N 1 0 403.523 2.213 20 0 HEADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N[C@H]1CCCC2(C1)OCCO2 ZINC000768388176 1080537049 /nfs/dbraw/zinc/53/70/49/1080537049.db2.gz OLUPWMIIDBMFKB-IBGZPJMESA-N 1 0 403.523 2.128 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(CCCOC(C)=O)c2)CC1=O ZINC000768428122 1080548754 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/nfs/dbraw/zinc/56/54/03/1080565403.db2.gz QTUCMOIJACQSLE-GOSISDBHSA-N 1 0 424.586 2.081 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000786335334 1080567220 /nfs/dbraw/zinc/56/72/20/1080567220.db2.gz VATGHJNSCFCIHV-NRFANRHFSA-N 1 0 419.541 2.334 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000786386801 1080580987 /nfs/dbraw/zinc/58/09/87/1080580987.db2.gz CQXRLRUOJQRKMX-XLIONFOSSA-N 1 0 413.518 2.206 20 0 HEADRO C[C@H](NC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)C1=CC[N@H+](C)CC1 ZINC000786414174 1080591655 /nfs/dbraw/zinc/59/16/55/1080591655.db2.gz PVPUMROIBDUCJR-INIZCTEOSA-N 1 0 422.570 2.097 20 0 HEADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)cc1 ZINC000786426737 1080596280 /nfs/dbraw/zinc/59/62/80/1080596280.db2.gz GMQUQWVDOAFAGH-UHFFFAOYSA-N 1 0 409.465 2.370 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000786428422 1080596949 /nfs/dbraw/zinc/59/69/49/1080596949.db2.gz 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ZINC000768727040 1080756238 /nfs/dbraw/zinc/75/62/38/1080756238.db2.gz IWAQHNXPERGAQT-UHFFFAOYSA-N 1 0 407.474 2.228 20 0 HEADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc(OC(F)(F)F)c1 ZINC000768731611 1080758766 /nfs/dbraw/zinc/75/87/66/1080758766.db2.gz HGJDIINJYUDYGO-GFCCVEGCSA-N 1 0 413.400 2.159 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000786713701 1080767956 /nfs/dbraw/zinc/76/79/56/1080767956.db2.gz TWWKAUZFKOUDDS-INIZCTEOSA-N 1 0 423.539 2.178 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000786719297 1080771160 /nfs/dbraw/zinc/77/11/60/1080771160.db2.gz OOBUCEHNRWYGKV-QZTJIDSGSA-N 1 0 419.551 2.193 20 0 HEADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC000768802710 1080779785 /nfs/dbraw/zinc/77/97/85/1080779785.db2.gz VVIFLUWIMOWVLQ-KRWDZBQOSA-N 1 0 421.513 2.496 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000743767791 1080792015 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416.518 2.168 20 0 HEADRO C[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786822074 1080845377 /nfs/dbraw/zinc/84/53/77/1080845377.db2.gz SNXDIZLJYSPNNF-RCDICMHDSA-N 1 0 407.474 2.122 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000768942949 1080845528 /nfs/dbraw/zinc/84/55/28/1080845528.db2.gz NRIGCFOFJPNSGL-MJGOQNOKSA-N 1 0 419.570 2.188 20 0 HEADRO Cc1ccc(N2C[C@H](C(=O)N[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3CO)CC2=O)cc1 ZINC000768917208 1080855910 /nfs/dbraw/zinc/85/59/10/1080855910.db2.gz ITBYEHQMRGYVDQ-XJUOHMSHSA-N 1 0 421.541 2.347 20 0 HEADRO CC(C)(C)OC(=O)NCCCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000768919515 1080857039 /nfs/dbraw/zinc/85/70/39/1080857039.db2.gz RZCPMUWWMRPVHO-MOPGFXCFSA-N 1 0 405.539 2.291 20 0 HEADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc(N2CCOC2=O)cc1 ZINC000768920825 1080858933 /nfs/dbraw/zinc/85/89/33/1080858933.db2.gz XVHXDFPZQRHZFE-FPOVZHCZSA-N 1 0 409.486 2.256 20 0 HEADRO NC(=O)CSc1ccccc1NC(=O)COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786878982 1080866742 /nfs/dbraw/zinc/86/67/42/1080866742.db2.gz HYURLJRKKXYXQZ-MRXNPFEDSA-N 1 0 405.520 2.153 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](O)c3cc(F)cc(Cl)c3)cn2)CC1 ZINC000786891600 1080870831 /nfs/dbraw/zinc/87/08/31/1080870831.db2.gz USOHPLOUGKVXLO-GOSISDBHSA-N 1 0 421.904 2.159 20 0 HEADRO COCC[S@](=O)Cc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000768991692 1080878188 /nfs/dbraw/zinc/87/81/88/1080878188.db2.gz UPJSVVLKVBIRSN-LNIFMVABSA-N 1 0 423.579 2.081 20 0 HEADRO O=C(Nc1ccn(Cc2ccccn2)n1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000768993583 1080879095 /nfs/dbraw/zinc/87/90/95/1080879095.db2.gz BZWYRWOHDCFUIG-TZIWHRDSSA-N 1 0 420.517 2.331 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000768950996 1080881007 /nfs/dbraw/zinc/88/10/07/1080881007.db2.gz AEOHTFLRZFAOQB-QGZVFWFLSA-N 1 0 412.575 2.482 20 0 HEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 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/nfs/dbraw/zinc/89/57/74/1080895774.db2.gz ALPOUEDIKSKTDS-QWHCGFSZSA-N 1 0 410.400 2.271 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)c1cccs1 ZINC000769063046 1080919189 /nfs/dbraw/zinc/91/91/89/1080919189.db2.gz DELBWQFLWJLNQI-MRXNPFEDSA-N 1 0 410.584 2.456 20 0 HEADRO C[N@H+](CCOC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)Cc1ccc(F)cc1 ZINC000769069551 1080923666 /nfs/dbraw/zinc/92/36/66/1080923666.db2.gz MRMRDJZVNLHDJX-UHFFFAOYSA-N 1 0 403.385 2.457 20 0 HEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000769075035 1080927900 /nfs/dbraw/zinc/92/79/00/1080927900.db2.gz SMTJXKKNSMHTLF-CYBMUJFWSA-N 1 0 400.497 2.229 20 0 HEADRO [NH3+]CCN(c1nc(Cl)cc2nc[nH]c21)S(=O)(=O)c1cccc2cnccc21 ZINC001170066216 1080928037 /nfs/dbraw/zinc/92/80/37/1080928037.db2.gz HFOWHPQSXVVXNC-UHFFFAOYSA-N 1 0 402.867 2.314 20 0 HEADRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000787012587 1080929971 /nfs/dbraw/zinc/92/99/71/1080929971.db2.gz HJASAORUEGLYCF-YRVVQQKDSA-N 1 0 406.504 2.438 20 0 HEADRO COc1c(C)cnc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1C ZINC000769086363 1080934174 /nfs/dbraw/zinc/93/41/74/1080934174.db2.gz LPSUWTGBHPDNFQ-PZJWPPBQSA-N 1 0 412.534 2.389 20 0 HEADRO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000769125590 1080945439 /nfs/dbraw/zinc/94/54/39/1080945439.db2.gz DPPHKDOMMYYZCM-SFHVURJKSA-N 1 0 419.570 2.389 20 0 HEADRO COc1cccc(CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1OC ZINC000787017301 1080948216 /nfs/dbraw/zinc/94/82/16/1080948216.db2.gz LQLIEJFFPVNECX-UHFFFAOYSA-N 1 0 403.523 2.233 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769190818 1080963889 /nfs/dbraw/zinc/96/38/89/1080963889.db2.gz ZMNKCNDMUDXXEQ-FXAWDEMLSA-N 1 0 416.566 2.273 20 0 HEADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000769190899 1080964193 /nfs/dbraw/zinc/96/41/93/1080964193.db2.gz SOKMFLILSSYYNR-PKOBYXMFSA-N 1 0 403.523 2.358 20 0 HEADRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)n1 ZINC000769191719 1080964813 /nfs/dbraw/zinc/96/48/13/1080964813.db2.gz BQYRCCVJCWHEFU-INIZCTEOSA-N 1 0 406.527 2.333 20 0 HEADRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 ZINC000769192022 1080965409 /nfs/dbraw/zinc/96/54/09/1080965409.db2.gz GDJKXIMRSUVKNC-SFHVURJKSA-N 1 0 418.538 2.498 20 0 HEADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000769192792 1080966758 /nfs/dbraw/zinc/96/67/58/1080966758.db2.gz PCIOLHDFSFDPID-KRWDZBQOSA-N 1 0 401.511 2.416 20 0 HEADRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1O ZINC000769192566 1080967276 /nfs/dbraw/zinc/96/72/76/1080967276.db2.gz NJHXQXOOADPYAB-INIZCTEOSA-N 1 0 407.511 2.254 20 0 HEADRO Cc1cccn2c(C[N@@H+]3CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)cnc12 ZINC000769192624 1080967578 /nfs/dbraw/zinc/96/75/78/1080967578.db2.gz MTFVWHBEOGDGOM-KRWDZBQOSA-N 1 0 415.538 2.496 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000769150890 1080970095 /nfs/dbraw/zinc/97/00/95/1080970095.db2.gz UNUOLRJUETZDAO-QGZVFWFLSA-N 1 0 419.570 2.389 20 0 HEADRO C[C@H](OC(=O)C(F)(F)C1(O)CCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769159124 1080978427 /nfs/dbraw/zinc/97/84/27/1080978427.db2.gz XXRSKKMHYHFQEQ-DOTOQJQBSA-N 1 0 410.461 2.249 20 0 HEADRO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000769163048 1080980907 /nfs/dbraw/zinc/98/09/07/1080980907.db2.gz RLQTWHWSNJPTQI-MOPGFXCFSA-N 1 0 413.522 2.245 20 0 HEADRO O=C(NCc1cccc(N2CCOC2=O)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000769164504 1080982148 /nfs/dbraw/zinc/98/21/48/1080982148.db2.gz AZOGYEVSSYLUIG-VQTJNVASSA-N 1 0 416.522 2.210 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000769165759 1080982719 /nfs/dbraw/zinc/98/27/19/1080982719.db2.gz HCDIOOQVETXGSW-QRVBRYPASA-N 1 0 424.586 2.453 20 0 HEADRO 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O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787102989 1081014432 /nfs/dbraw/zinc/01/44/32/1081014432.db2.gz HZQNRLWMJGWATO-QMMLZNLJSA-N 1 0 417.525 2.338 20 0 HEADRO Cc1ccc(C[C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000787102951 1081014482 /nfs/dbraw/zinc/01/44/82/1081014482.db2.gz HLTDTEQORDTXPR-FCHUYYIVSA-N 1 0 413.562 2.288 20 0 HEADRO CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000787105784 1081015622 /nfs/dbraw/zinc/01/56/22/1081015622.db2.gz ICVQCTBKVHRCBX-LAUBAEHRSA-N 1 0 417.550 2.411 20 0 HEADRO CN(Cc1c(F)cccc1Cl)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787105282 1081015819 /nfs/dbraw/zinc/01/58/19/1081015819.db2.gz LIEVIMPGDZUBCY-HNNXBMFYSA-N 1 0 411.905 2.197 20 0 HEADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787106818 1081016499 /nfs/dbraw/zinc/01/64/99/1081016499.db2.gz OCNMEYUHYAMUTI-PBHICJAKSA-N 1 0 409.477 2.244 20 0 HEADRO CC(C)(C)Oc1ccc(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000787106834 1081016519 /nfs/dbraw/zinc/01/65/19/1081016519.db2.gz OJRXYJVPQGLTBQ-FQEVSTJZSA-N 1 0 417.550 2.240 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000787107125 1081018299 /nfs/dbraw/zinc/01/82/99/1081018299.db2.gz LKIJJLSYKUAUPT-LEWJYISDSA-N 1 0 417.525 2.119 20 0 HEADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000787136305 1081022671 /nfs/dbraw/zinc/02/26/71/1081022671.db2.gz GMJCOBPRUFYSTN-FQEVSTJZSA-N 1 0 406.530 2.221 20 0 HEADRO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)Sc1ccccc1 ZINC000787136296 1081022684 /nfs/dbraw/zinc/02/26/84/1081022684.db2.gz GIJQEINUDANFMG-FUHWJXTLSA-N 1 0 405.564 2.043 20 0 HEADRO Cc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)NC1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000787141503 1081025442 /nfs/dbraw/zinc/02/54/42/1081025442.db2.gz VQJDHOAXKHQCSR-AEFFLSMTSA-N 1 0 420.579 2.047 20 0 HEADRO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN1CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]31)C2=O ZINC000746644297 1081028956 /nfs/dbraw/zinc/02/89/56/1081028956.db2.gz BDCKJDNKZNKMGZ-HUTLHSBBSA-N 1 0 406.571 2.264 20 0 HEADRO CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCC[S@](=O)C(C)(C)C)cc2)CC1 ZINC000787155843 1081032995 /nfs/dbraw/zinc/03/29/95/1081032995.db2.gz GPBYVDGVRUFOEG-LJAQVGFWSA-N 1 0 421.607 2.198 20 0 HEADRO CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000787125468 1081035003 /nfs/dbraw/zinc/03/50/03/1081035003.db2.gz RZESLPCVWGLUGM-UHFFFAOYSA-N 1 0 424.586 2.036 20 0 HEADRO Cn1nc(Br)cc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000787127506 1081035721 /nfs/dbraw/zinc/03/57/21/1081035721.db2.gz DJCRRBGTLQLRSQ-UHFFFAOYSA-N 1 0 414.392 2.099 20 0 HEADRO CSc1ccccc1CN(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787129562 1081036169 /nfs/dbraw/zinc/03/61/69/1081036169.db2.gz YHDBLWICQUKWLM-SFHVURJKSA-N 1 0 405.564 2.127 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)[nH]n2)C1 ZINC000787129070 1081036525 /nfs/dbraw/zinc/03/65/25/1081036525.db2.gz OYEWFEBOIJTWFU-GJZGRUSLSA-N 1 0 403.527 2.348 20 0 HEADRO COc1c(C)cnc(CNC(=O)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1C ZINC000787159284 1081037390 /nfs/dbraw/zinc/03/73/90/1081037390.db2.gz DVNMBVKNZSIRGC-UHFFFAOYSA-N 1 0 412.534 2.480 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1c(=O)oc2ccc(Br)cc21 ZINC000746650033 1081047730 /nfs/dbraw/zinc/04/77/30/1081047730.db2.gz QQQJJHKBAYNSKT-KEYYUXOJSA-N 1 0 410.312 2.498 20 0 HEADRO C[N@H+](C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746662003 1081055262 /nfs/dbraw/zinc/05/52/62/1081055262.db2.gz TXYBONVRDRUNNG-GOSISDBHSA-N 1 0 412.552 2.455 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000787189286 1081055841 /nfs/dbraw/zinc/05/58/41/1081055841.db2.gz ONQZGUKLZUZWGG-CGTJXYLNSA-N 1 0 423.355 2.190 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000769372818 1081055948 /nfs/dbraw/zinc/05/59/48/1081055948.db2.gz ITUINLQLPNTMMB-KRWDZBQOSA-N 1 0 409.477 2.332 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000787194308 1081058071 /nfs/dbraw/zinc/05/80/71/1081058071.db2.gz ZRHAFJJMGJCPBI-SFHVURJKSA-N 1 0 422.570 2.025 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)C1 ZINC000769383612 1081059220 /nfs/dbraw/zinc/05/92/20/1081059220.db2.gz KBJBAGIEFHZJAC-LJQANCHMSA-N 1 0 405.539 2.497 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000769387618 1081060605 /nfs/dbraw/zinc/06/06/05/1081060605.db2.gz WWOQADNXTGMNMV-UHFFFAOYSA-N 1 0 423.460 2.429 20 0 HEADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000769336464 1081061400 /nfs/dbraw/zinc/06/14/00/1081061400.db2.gz AQTCTKGLHMZGKP-UKRRQHHQSA-N 1 0 407.383 2.312 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000769423007 1081068817 /nfs/dbraw/zinc/06/88/17/1081068817.db2.gz ITVVUHOCTRTUPD-VBQJREDUSA-N 1 0 420.000 2.349 20 0 HEADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000769423998 1081069059 /nfs/dbraw/zinc/06/90/59/1081069059.db2.gz IKLMZYIHKQNKEI-MJGOQNOKSA-N 1 0 418.586 2.354 20 0 HEADRO Cc1nc(Cn2nnc(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)c2C)no1 ZINC000787253530 1081072416 /nfs/dbraw/zinc/07/24/16/1081072416.db2.gz UVNKRPMOEBMRKU-UHFFFAOYSA-N 1 0 401.515 2.101 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000787225093 1081078303 /nfs/dbraw/zinc/07/83/03/1081078303.db2.gz AVNMPJMRABXPKM-DLBZAZTESA-N 1 0 410.559 2.281 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000787225350 1081078330 /nfs/dbraw/zinc/07/83/30/1081078330.db2.gz IGOPMMRBRBXYHG-ROUUACIJSA-N 1 0 406.502 2.417 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1OC(C)C ZINC000787234623 1081082023 /nfs/dbraw/zinc/08/20/23/1081082023.db2.gz OQSARGXFIVOBOV-QGZVFWFLSA-N 1 0 405.539 2.337 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000769472133 1081090656 /nfs/dbraw/zinc/09/06/56/1081090656.db2.gz FEOSBWNECSRKQO-CVEARBPZSA-N 1 0 400.976 2.122 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000769475254 1081091642 /nfs/dbraw/zinc/09/16/42/1081091642.db2.gz JKXHXBLKLRBWNG-YJBOKZPZSA-N 1 0 411.493 2.434 20 0 HEADRO C[C@@](O)(CCNC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000787291407 1081095336 /nfs/dbraw/zinc/09/53/36/1081095336.db2.gz PXUXKOVLUSTONY-XMMPIXPASA-N 1 0 409.530 2.313 20 0 HEADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC(=O)NCCc1ccccc1 ZINC000769509159 1081102053 /nfs/dbraw/zinc/10/20/53/1081102053.db2.gz JYGBZWSRTWCBCS-MJGOQNOKSA-N 1 0 405.539 2.349 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000769516819 1081104935 /nfs/dbraw/zinc/10/49/35/1081104935.db2.gz JFEKGWZSYYIJNJ-MRXNPFEDSA-N 1 0 420.554 2.356 20 0 HEADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000769526403 1081109097 /nfs/dbraw/zinc/10/90/97/1081109097.db2.gz GACKNPKINUTMTR-FAPUVCABSA-N 1 0 408.543 2.475 20 0 HEADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000769598674 1081116720 /nfs/dbraw/zinc/11/67/20/1081116720.db2.gz WTVZLYBFAHBKEI-LJQANCHMSA-N 1 0 400.504 2.259 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000769599808 1081137605 /nfs/dbraw/zinc/13/76/05/1081137605.db2.gz OHAZSRBIZAOTNL-NVXWUHKLSA-N 1 0 411.543 2.459 20 0 HEADRO CC[N@H+](CCO)CCNC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000769635048 1081152896 /nfs/dbraw/zinc/15/28/96/1081152896.db2.gz APJUTTWKTHMDRG-UHFFFAOYSA-N 1 0 419.566 2.386 20 0 HEADRO [NH3+]CC1(F)CCN([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)CC1 ZINC001164393688 718813203 /nfs/dbraw/zinc/81/32/03/718813203.db2.gz STERSKGBQPSPBJ-SFHVURJKSA-N 1 0 414.888 2.260 20 0 HEADRO OC[C@@]12C[NH2+]C[C@H]1CN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164403811 718853640 /nfs/dbraw/zinc/85/36/40/718853640.db2.gz IWNMUBHXPGWEFV-NYHFZMIOSA-N 1 0 413.591 2.184 20 0 HEADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)c(Cl)nn2)c1 ZINC001164401570 718854764 /nfs/dbraw/zinc/85/47/64/718854764.db2.gz BSEFWBHYYPHCHF-SCLBCKFNSA-N 1 0 410.852 2.369 20 0 HEADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN([C@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164615327 719011960 /nfs/dbraw/zinc/01/19/60/719011960.db2.gz IHXKUFRXHRTQEG-IXDGSTSKSA-N 1 0 412.893 2.407 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(CN4CCOCC4)cn3)CC2)CC1 ZINC001164614025 719022239 /nfs/dbraw/zinc/02/22/39/719022239.db2.gz LRTPUMCIBPIKSM-UHFFFAOYSA-N 1 0 416.566 2.158 20 0 HEADRO CCOC(=O)Cc1cccnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164614105 719022494 /nfs/dbraw/zinc/02/24/94/719022494.db2.gz NKIGSYHWYFXQQD-UHFFFAOYSA-N 1 0 403.523 2.431 20 0 HEADRO [NH3+]C1([C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C[C@H]2CF)CC1 ZINC001164626905 719116940 /nfs/dbraw/zinc/11/69/40/719116940.db2.gz JSHXLBIBDHAUJO-NEPJUHHUSA-N 1 0 405.852 2.025 20 0 HEADRO C[NH+](C)Cc1ccnc(N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)c1 ZINC001164654522 719322482 /nfs/dbraw/zinc/32/24/82/719322482.db2.gz QXXBWCQINLIGGQ-JOCHJYFZSA-N 1 0 411.481 2.324 20 0 HEADRO O=C([C@@H]1C[C@H]2OCC[C@@H]2N(c2cccc(OCC[NH+]3CCCC3)n2)C1)N1CCCC1 ZINC001164677589 719540498 /nfs/dbraw/zinc/54/04/98/719540498.db2.gz GEVYYXPMVWOQFD-HSALFYBXSA-N 1 0 414.550 2.162 20 0 HEADRO c1ccc(OCc2nnc3n2CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)nc1 ZINC001164683608 719687433 /nfs/dbraw/zinc/68/74/33/719687433.db2.gz GKIXGIDOTBZXDF-UHFFFAOYSA-N 1 0 405.506 2.306 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164687386 719733242 /nfs/dbraw/zinc/73/32/42/719733242.db2.gz WTJUUCDCKRCFLV-UHFFFAOYSA-N 1 0 405.902 2.144 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164690013 719741602 /nfs/dbraw/zinc/74/16/02/719741602.db2.gz OQZSWECBSFFYSO-UHFFFAOYSA-N 1 0 413.900 2.344 20 0 HEADRO CN1CCc2nc(Cl)nc(N(c3ncccc3F)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)c2C1 ZINC001164692881 719760892 /nfs/dbraw/zinc/76/08/92/719760892.db2.gz WJDDLNSUZNQTOW-RNODOKPDSA-N 1 0 418.904 2.311 20 0 HEADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(S(N)(=O)=O)cn2)CC3)cs1 ZINC001164693990 719807254 /nfs/dbraw/zinc/80/72/54/719807254.db2.gz SXDVSWQLJRLYOR-UHFFFAOYSA-N 1 0 407.565 2.129 20 0 HEADRO O=C1COc2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2N1 ZINC001164699063 719892993 /nfs/dbraw/zinc/89/29/93/719892993.db2.gz WOEMAADXZDSSHD-UHFFFAOYSA-N 1 0 400.504 2.345 20 0 HEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1N1CCOCC1)C2 ZINC001164810037 720118551 /nfs/dbraw/zinc/11/85/51/720118551.db2.gz JIAMAJHFJHVREZ-LAUBAEHRSA-N 1 0 421.973 2.151 20 0 HEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164813845 720119166 /nfs/dbraw/zinc/11/91/66/720119166.db2.gz RCWRWDIITMWGNN-IIBYNOLFSA-N 1 0 422.957 2.420 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c1NC(=O)CO3)CC2 ZINC001164717439 720119973 /nfs/dbraw/zinc/11/99/73/720119973.db2.gz OZXGGKPHHDSVRL-SFHVURJKSA-N 1 0 423.517 2.315 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(N)=O)cc(C)n1)CC2 ZINC001164712118 720154994 /nfs/dbraw/zinc/15/49/94/720154994.db2.gz KNRVNHILCRWNKH-FQEVSTJZSA-N 1 0 409.534 2.391 20 0 HEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1S(C)(=O)=O)C2 ZINC001164815995 720156394 /nfs/dbraw/zinc/15/63/94/720156394.db2.gz JPSOTIMZDSMGSD-HNAYVOBHSA-N 1 0 413.971 2.323 20 0 HEADRO Cn1nnc2c1CCN(c1ccc(-c3ccccc3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713492 720171760 /nfs/dbraw/zinc/17/17/60/720171760.db2.gz LICPVOJOHQBKEU-OAQYLSRUSA-N 1 0 419.533 2.488 20 0 HEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(Cn3ccccc3=O)cn1)C2 ZINC001164812442 720174544 /nfs/dbraw/zinc/17/45/44/720174544.db2.gz ARXVXXXZOLWCCY-URXFXBBRSA-N 1 0 408.546 2.476 20 0 HEADRO CCNC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164810209 720205312 /nfs/dbraw/zinc/20/53/12/720205312.db2.gz AJYOOSRSCHPXHD-YWZLYKJASA-N 1 0 407.946 2.064 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nccc(Cl)n1)CCC2 ZINC001164812961 720213161 /nfs/dbraw/zinc/21/31/61/720213161.db2.gz NMBSSQKOHITETB-UHFFFAOYSA-N 1 0 412.872 2.482 20 0 HEADRO CCOC(=O)c1cc(C)cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814778 720224281 /nfs/dbraw/zinc/22/42/81/720224281.db2.gz YYSNLGKRBGQRAF-UHFFFAOYSA-N 1 0 413.522 2.374 20 0 HEADRO COC(=O)c1cnc(Cl)cc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825133 720289934 /nfs/dbraw/zinc/28/99/34/720289934.db2.gz SLYJGRWOLHMCBN-SJORKVTESA-N 1 0 420.941 2.433 20 0 HEADRO CCOc1nc(Cl)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820019 720309510 /nfs/dbraw/zinc/30/95/10/720309510.db2.gz GICVVTKDDCBKJB-HZPDHXFCSA-N 1 0 407.946 2.440 20 0 HEADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829658 720316389 /nfs/dbraw/zinc/31/63/89/720316389.db2.gz MYUQTMHIEJQFAT-RBUKOAKNSA-N 1 0 414.550 2.397 20 0 HEADRO COCc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(SC)n1 ZINC001164830205 720316590 /nfs/dbraw/zinc/31/65/90/720316590.db2.gz PCTHONMHTFZHBB-QZTJIDSGSA-N 1 0 419.595 2.256 20 0 HEADRO COc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(SC)n1 ZINC001164834314 720318630 /nfs/dbraw/zinc/31/86/30/720318630.db2.gz ZDBRTGVJAIJISH-JKSUJKDBSA-N 1 0 405.568 2.119 20 0 HEADRO COc1c(Cl)nc(C)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827221 720318678 /nfs/dbraw/zinc/31/86/78/720318678.db2.gz HGGJIRKVXYLVPV-HZPDHXFCSA-N 1 0 407.946 2.359 20 0 HEADRO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164830898 720319766 /nfs/dbraw/zinc/31/97/66/720319766.db2.gz QKJHEKNELFBRAY-WOJBJXKFSA-N 1 0 414.550 2.099 20 0 HEADRO CCCNC(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164829626 720339978 /nfs/dbraw/zinc/33/99/78/720339978.db2.gz SWVQCJXEEIALOB-WOJBJXKFSA-N 1 0 413.566 2.133 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3ccccn3)ncn2)CC1 ZINC001164826001 720341642 /nfs/dbraw/zinc/34/16/42/720341642.db2.gz KBYZJKSWQORDRB-LEWJYISDSA-N 1 0 406.534 2.450 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3ccncc3)ncn2)CC1 ZINC001164831137 720341788 /nfs/dbraw/zinc/34/17/88/720341788.db2.gz XUKSSYBFINBOIZ-LEWJYISDSA-N 1 0 406.534 2.450 20 0 HEADRO Cc1nc(CN2CCN(C)C3(CCN(c4cc(N(C)C)cc[nH+]4)CC3)C2=O)cs1 ZINC001164824787 720369612 /nfs/dbraw/zinc/36/96/12/720369612.db2.gz LCOFUOLENJSQHB-UHFFFAOYSA-N 1 0 414.579 2.226 20 0 HEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721709 720387819 /nfs/dbraw/zinc/38/78/19/720387819.db2.gz AOVFWCXMQQNQGE-IAGOWNOFSA-N 1 0 401.898 2.484 20 0 HEADRO COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)CC1 ZINC001164722098 720405232 /nfs/dbraw/zinc/40/52/32/720405232.db2.gz BWWPDEHTHITKEY-UXHICEINSA-N 1 0 422.533 2.114 20 0 HEADRO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]21 ZINC001164828513 720421430 /nfs/dbraw/zinc/42/14/30/720421430.db2.gz WPBXOONEHDXBNH-HSALFYBXSA-N 1 0 416.566 2.170 20 0 HEADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164734759 720421993 /nfs/dbraw/zinc/42/19/93/720421993.db2.gz UEHJROMYPDVECX-ROUUACIJSA-N 1 0 406.490 2.393 20 0 HEADRO c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2nc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC001164728706 720434878 /nfs/dbraw/zinc/43/48/78/720434878.db2.gz GCBYFJWLCGGWAT-PMACEKPBSA-N 1 0 420.565 2.320 20 0 HEADRO O=S(=O)(c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1)N1CCCC1 ZINC001164731527 720438508 /nfs/dbraw/zinc/43/85/08/720438508.db2.gz LMZNQQNUXMFICS-PMACEKPBSA-N 1 0 413.547 2.114 20 0 HEADRO CCOC(=O)N1CCc2nnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cc2C1 ZINC001164727687 720442215 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FTGVUOBNOUBQPR-UKRRQHHQSA-N 1 0 412.881 2.424 20 0 HEADRO COc1cc2nc(C)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC ZINC001164738977 720699843 /nfs/dbraw/zinc/69/98/43/720699843.db2.gz LSXGTBYNENFALZ-HOTGVXAUSA-N 1 0 422.489 2.087 20 0 HEADRO COc1cc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC ZINC001164737840 720707205 /nfs/dbraw/zinc/70/72/05/720707205.db2.gz HIRFFDCQKKBRDO-IAGOWNOFSA-N 1 0 407.474 2.384 20 0 HEADRO CCOC(=O)c1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ccc1Cl ZINC001164745357 720741453 /nfs/dbraw/zinc/74/14/53/720741453.db2.gz VHTVUVWROXGSKD-KBPBESRZSA-N 1 0 403.870 2.044 20 0 HEADRO c1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(N3CCCC3)nc2c1 ZINC001164745872 720754981 /nfs/dbraw/zinc/75/49/81/720754981.db2.gz WBTTWPRRFLAEFD-QZTJIDSGSA-N 1 0 417.517 2.362 20 0 HEADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2)C1 ZINC001164744173 720757401 /nfs/dbraw/zinc/75/74/01/720757401.db2.gz RJPCPALNXHMETL-HOJAQTOUSA-N 1 0 422.533 2.086 20 0 HEADRO COC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739906 720770555 /nfs/dbraw/zinc/77/05/55/720770555.db2.gz JPOHETLICUOERJ-DLBZAZTESA-N 1 0 405.458 2.153 20 0 HEADRO COc1cc2cnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)cc2cc1OC ZINC001164745324 720774033 /nfs/dbraw/zinc/77/40/33/720774033.db2.gz VCZPXTUTGXHLLH-ZWKOTPCHSA-N 1 0 407.474 2.384 20 0 HEADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC1CC1 ZINC001164752815 720808078 /nfs/dbraw/zinc/80/80/78/720808078.db2.gz ZYOYEQNZMNBPBB-YZGWKJHDSA-N 1 0 408.554 2.330 20 0 HEADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740835 720809182 /nfs/dbraw/zinc/80/91/82/720809182.db2.gz AMJSQLKHVGBNTD-PCCBWWKXSA-N 1 0 422.581 2.438 20 0 HEADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164748264 720810487 /nfs/dbraw/zinc/81/04/87/720810487.db2.gz QDRJMDIFMBFOPL-XUVXKRRUSA-N 1 0 410.522 2.229 20 0 HEADRO 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CC(C)n1cnc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164745264 720847717 /nfs/dbraw/zinc/84/77/17/720847717.db2.gz NCEFPWUFBMHVKC-CMKODMSKSA-N 1 0 421.553 2.378 20 0 HEADRO CCCNC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164744513 720848613 /nfs/dbraw/zinc/84/86/13/720848613.db2.gz KLYMGBHTBKOILF-NJDAHSKKSA-N 1 0 423.565 2.192 20 0 HEADRO F[C@H](Oc1cncc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749534 720856143 /nfs/dbraw/zinc/85/61/43/720856143.db2.gz NPFXESZUGJHVBU-MKSNKDDYSA-N 1 0 421.908 2.228 20 0 HEADRO CCOC(=O)Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747058 720859961 /nfs/dbraw/zinc/85/99/61/720859961.db2.gz HQRZSWRIPNDNPY-NJDAHSKKSA-N 1 0 424.549 2.158 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4cc(OC)c(OC)cc4n3)CC[C@H]2C1 ZINC001164853139 720862816 /nfs/dbraw/zinc/86/28/16/720862816.db2.gz GNIOUBZUXFLUJK-LAUBAEHRSA-N 1 0 401.507 2.426 20 0 HEADRO 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721361870 /nfs/dbraw/zinc/36/18/70/721361870.db2.gz IVXMLQJCUTYWOW-UHFFFAOYSA-N 1 0 421.549 2.407 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cn4)C3)O2)CC1 ZINC001164884434 721387046 /nfs/dbraw/zinc/38/70/46/721387046.db2.gz ASYZHHMGSQQFSN-MAUKXSAKSA-N 1 0 415.916 2.440 20 0 HEADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C)c1 ZINC001164894097 721398423 /nfs/dbraw/zinc/39/84/23/721398423.db2.gz XPPIUPUDJFEVKY-REWPJTCUSA-N 1 0 416.566 2.332 20 0 HEADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164887707 721408411 /nfs/dbraw/zinc/40/84/11/721408411.db2.gz MMWKNZKGMLHDJX-CVDCTZTESA-N 1 0 416.566 2.250 20 0 HEADRO COCc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(SC)n1 ZINC001164891963 721409477 /nfs/dbraw/zinc/40/94/77/721409477.db2.gz XADMJEJXVKURIB-WIYYLYMNSA-N 1 0 421.611 2.110 20 0 HEADRO COc1ccc2ncc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2c1 ZINC001164892887 721412972 /nfs/dbraw/zinc/41/29/72/721412972.db2.gz 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2.303 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)C1 ZINC000746449244 1078986985 /nfs/dbraw/zinc/98/69/85/1078986985.db2.gz CBJJBEPZAOUXQX-INIZCTEOSA-N 1 0 402.495 2.066 20 0 HEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000746449989 1078991075 /nfs/dbraw/zinc/99/10/75/1078991075.db2.gz OUKOIKPZZQOONP-MRXNPFEDSA-N 1 0 401.429 2.181 20 0 HEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-n2ccnn2)ccc1F ZINC001168791442 1078992978 /nfs/dbraw/zinc/99/29/78/1078992978.db2.gz KKDFEWLLQDJSKK-QFIPXVFZSA-N 1 0 409.465 2.115 20 0 HEADRO Cc1cc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)n(C2CC[NH+](C)CC2)n1 ZINC000766447261 1078993474 /nfs/dbraw/zinc/99/34/74/1078993474.db2.gz ILHJHWDMDLTERA-MOPGFXCFSA-N 1 0 415.542 2.312 20 0 HEADRO COc1cccc(NC(=O)C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)c1F ZINC000770737284 1078996578 /nfs/dbraw/zinc/99/65/78/1078996578.db2.gz CZLXVFTWWHQYBZ-UHFFFAOYSA-N 1 0 407.486 2.313 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cnc4c(c3)NC(=O)CO4)cc2)CC1 ZINC000770755587 1079008082 /nfs/dbraw/zinc/00/80/82/1079008082.db2.gz KGSSAIHNFWZNSW-UHFFFAOYSA-N 1 0 409.490 2.443 20 0 HEADRO COc1cccc(NC(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c1F ZINC000770737608 1078997240 /nfs/dbraw/zinc/99/72/40/1078997240.db2.gz FQAMNCXSJGOUST-UHFFFAOYSA-N 1 0 403.454 2.072 20 0 HEADRO COC(=O)Cc1sccc1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001168792725 1078998488 /nfs/dbraw/zinc/99/84/88/1078998488.db2.gz VXTRFCLPMZRIEK-NRFANRHFSA-N 1 0 402.516 2.173 20 0 HEADRO C[C@@](O)(CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000804278558 1078999133 /nfs/dbraw/zinc/99/91/33/1078999133.db2.gz CBQPQHLAVPOIQG-GBXCKJPGSA-N 1 0 409.530 2.039 20 0 HEADRO Cn1ncc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C1CC1 ZINC000770740895 1078999355 /nfs/dbraw/zinc/99/93/55/1078999355.db2.gz BEOKPVDEXRDDDC-RDTXWAMCSA-N 1 0 401.536 2.497 20 0 HEADRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766438247 1079003819 /nfs/dbraw/zinc/00/38/19/1079003819.db2.gz SMIUFYVBXOUEPW-QGTPRVQTSA-N 1 0 418.581 2.004 20 0 HEADRO CC(C)CN1N=C(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1=O ZINC000766442753 1079006827 /nfs/dbraw/zinc/00/68/27/1079006827.db2.gz DVOXTNMTEUDHDP-UHFFFAOYSA-N 1 0 414.550 2.454 20 0 HEADRO CCOC(=O)C1=C(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)NC(=O)N[C@H]1c1ccco1 ZINC000746473009 1079027052 /nfs/dbraw/zinc/02/70/52/1079027052.db2.gz SHIHBKXOFOUMHH-GMBSWORKSA-N 1 0 404.511 2.113 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@@H](C)C1 ZINC000746472460 1079027282 /nfs/dbraw/zinc/02/72/82/1079027282.db2.gz PZVMHAGNLSCJNA-LAUBAEHRSA-N 1 0 418.557 2.339 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@@H](C)C1 ZINC000746472462 1079027360 /nfs/dbraw/zinc/02/73/60/1079027360.db2.gz PZVMHAGNLSCJNA-UWJYYQICSA-N 1 0 418.557 2.339 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@H](C)C1 ZINC000746472461 1079027501 /nfs/dbraw/zinc/02/75/01/1079027501.db2.gz PZVMHAGNLSCJNA-UTKZUKDTSA-N 1 0 418.557 2.339 20 0 HEADRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000746476197 1079030000 /nfs/dbraw/zinc/03/00/00/1079030000.db2.gz VMQNWUNSVRRROS-FUHWJXTLSA-N 1 0 421.542 2.105 20 0 HEADRO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000746481228 1079035806 /nfs/dbraw/zinc/03/58/06/1079035806.db2.gz FSOUKONBTPSUSM-MRXNPFEDSA-N 1 0 410.509 2.091 20 0 HEADRO NC(=O)c1cccc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC000766486149 1079035853 /nfs/dbraw/zinc/03/58/53/1079035853.db2.gz HVWNPKVPRYBDPH-UHFFFAOYSA-N 1 0 402.394 2.248 20 0 HEADRO CCOC(=O)[C@@H]1N=CO[C@@H]1c1c(Cl)cc(Cl)nc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168816084 1079037042 /nfs/dbraw/zinc/03/70/42/1079037042.db2.gz MSNLNWSPUIVVQI-UHNFBRDESA-N 1 0 424.288 2.421 20 0 HEADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000770849226 1079037463 /nfs/dbraw/zinc/03/74/63/1079037463.db2.gz HFDLEUPJRONOHS-FYYLOGMGSA-N 1 0 411.546 2.190 20 0 HEADRO C[C@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC001168798646 1079039519 /nfs/dbraw/zinc/03/95/19/1079039519.db2.gz CFAIFHRMYRVQHH-GFCCVEGCSA-N 1 0 422.323 2.376 20 0 HEADRO C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc(N2CCCC2=O)cc1 ZINC001168801184 1079041691 /nfs/dbraw/zinc/04/16/91/1079041691.db2.gz NHIHIISLUVPIPT-HNNXBMFYSA-N 1 0 410.536 2.221 20 0 HEADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)nc1)Cc1ccc(F)cc1 ZINC000766504136 1079045277 /nfs/dbraw/zinc/04/52/77/1079045277.db2.gz JMYDGWNORLHMLO-UHFFFAOYSA-N 1 0 409.259 2.170 20 0 HEADRO C[C@H]1C[C@H](NC2(C(N)=O)CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168822089 1079045999 /nfs/dbraw/zinc/04/59/99/1079045999.db2.gz HIRMGYSCNXOJGC-HKUYNNGSSA-N 1 0 416.566 2.494 20 0 HEADRO C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3ccccn3)CC2)CN1C(=O)OC(C)(C)C ZINC001168822664 1079046549 /nfs/dbraw/zinc/04/65/49/1079046549.db2.gz IRHVSUYWDOLCEP-DOTOQJQBSA-N 1 0 424.567 2.222 20 0 HEADRO C[C@@H]1C[C@@H]([NH2+]CCN(C)CCNC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC001168824061 1079046859 /nfs/dbraw/zinc/04/68/59/1079046859.db2.gz NCTGTOKQIONUMM-HZPDHXFCSA-N 1 0 400.564 2.430 20 0 HEADRO C[C@H]1C[C@@H]([NH2+][C@@H](CCC(=O)OCc2ccccc2)C(N)=O)CN1C(=O)OC(C)(C)C ZINC001168836665 1079049599 /nfs/dbraw/zinc/04/95/99/1079049599.db2.gz YTMZRIQIKMQXSL-JQHSSLGASA-N 1 0 419.522 2.351 20 0 HEADRO COC(=O)[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001168818901 1079051740 /nfs/dbraw/zinc/05/17/40/1079051740.db2.gz UFGXHTORNHAHTI-MCIONIFRSA-N 1 0 401.504 2.040 20 0 HEADRO C[C@H]1C[C@H](N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)CN1C(=O)OC(C)(C)C ZINC001168853690 1079053123 /nfs/dbraw/zinc/05/31/23/1079053123.db2.gz FGGXDLIEDUDYRD-VPAKFMSCSA-N 1 0 417.554 2.305 20 0 HEADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000429488845 1079053220 /nfs/dbraw/zinc/05/32/20/1079053220.db2.gz HECCFPMLVAHPOV-ROUUACIJSA-N 1 0 415.456 2.241 20 0 HEADRO 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 ZINC001168854578 1079053630 /nfs/dbraw/zinc/05/36/30/1079053630.db2.gz HKOHFDUZWYWWPM-WRNCNIFXSA-N 1 0 407.555 2.390 20 0 HEADRO 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 ZINC001168861132 1079056100 /nfs/dbraw/zinc/05/61/00/1079056100.db2.gz WTGVLUZJINNDIO-GYFISPQKSA-N 1 0 407.555 2.390 20 0 HEADRO Cc1cc(=O)n(C2CCCC2)c2nc(-n3nnc(-c4cccc(C[NH3+])c4)n3)ncc12 ZINC001168878404 1079066715 /nfs/dbraw/zinc/06/67/15/1079066715.db2.gz TVNDUKLGZSUVCL-UHFFFAOYSA-N 1 0 402.462 2.316 20 0 HEADRO C[C@@H]1CN(c2nc3ccccc3nc2-n2nnc(-c3cccc(C[NH3+])c3)n2)C[C@@H](C)O1 ZINC001168878858 1079066825 /nfs/dbraw/zinc/06/68/25/1079066825.db2.gz GJLYXPXDFKTZRI-HUUCEWRRSA-N 1 0 416.489 2.345 20 0 HEADRO 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 ZINC001168869436 1079059026 /nfs/dbraw/zinc/05/90/26/1079059026.db2.gz WGZAMMRVRNLYDF-VRCPBSEVSA-N 1 0 421.582 2.495 20 0 HEADRO COCCO[C@H]1CC[N@H+]([C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@H]1Cc1cnn(C)c1 ZINC001168870157 1079059388 /nfs/dbraw/zinc/05/93/88/1079059388.db2.gz ZVCFTEXHHRSLCC-RNQOJCNYSA-N 1 0 422.570 2.466 20 0 HEADRO [NH3+]Cc1cccc(-c2nnn(-c3c(Br)ncnc3C(F)(F)F)n2)c1 ZINC001168888219 1079062211 /nfs/dbraw/zinc/06/22/11/1079062211.db2.gz ZFQATVMLNMYJAH-UHFFFAOYSA-N 1 0 400.162 2.359 20 0 HEADRO COc1ccc(CN2CC[C@@H](N(c3ccc(C[NH3+])cc3)S(C)(=O)=O)CC2=O)cc1 ZINC001168894452 1079063826 /nfs/dbraw/zinc/06/38/26/1079063826.db2.gz VYLGRVOUVBTDGD-LJQANCHMSA-N 1 0 417.531 2.111 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3COC[C@@H]3NC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168879855 1079067478 /nfs/dbraw/zinc/06/74/78/1079067478.db2.gz ACGKOEUKWFKQPO-UHOSZYNNSA-N 1 0 419.522 2.068 20 0 HEADRO C[C@@H]1C[C@H](N(C2CC[NH2+]CC2)S(=O)(=O)c2ccccn2)CN1C(=O)OC(C)(C)C ZINC001168883631 1079068289 /nfs/dbraw/zinc/06/82/89/1079068289.db2.gz RIIOTWZPFMVEOG-WBVHZDCISA-N 1 0 424.567 2.222 20 0 HEADRO O=C1CCc2cc(OC[C@H](O)C[N@H+](C[C@H]3CCCO3)[C@H]3CCSC3)ccc2N1 ZINC001168885968 1079068744 /nfs/dbraw/zinc/06/87/44/1079068744.db2.gz PEALWJCPRADZGX-YQVWRLOYSA-N 1 0 406.548 2.298 20 0 HEADRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000766535046 1079070480 /nfs/dbraw/zinc/07/04/80/1079070480.db2.gz LNRIAFMQLIUOOJ-GOEBONIOSA-N 1 0 402.607 2.207 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3C[C@H]4CN(c5cccnc5)C(=O)[C@H]4C3)CC2=O)cc1 ZINC001168938363 1079079634 /nfs/dbraw/zinc/07/96/34/1079079634.db2.gz BKEIRANHIMJMKU-IPJJNNNSSA-N 1 0 420.513 2.176 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]CCOCCNC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168907412 1079072438 /nfs/dbraw/zinc/07/24/38/1079072438.db2.gz AIPVNNXOKMVXKD-GOSISDBHSA-N 1 0 421.538 2.317 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]C3CCN(C(=O)c4ccncc4)CC3)CC2=O)cc1 ZINC001168910525 1079073117 /nfs/dbraw/zinc/07/31/17/1079073117.db2.gz XPOJKFIFYUXQDE-NRFANRHFSA-N 1 0 422.529 2.476 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000770873037 1079076787 /nfs/dbraw/zinc/07/67/87/1079076787.db2.gz WDGHPBAYYWJLRX-GOSISDBHSA-N 1 0 417.531 2.401 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCC4(CC(N(C)C)=NO4)CC3)CC2=O)cc1 ZINC001168934824 1079078833 /nfs/dbraw/zinc/07/88/33/1079078833.db2.gz JPNMNQHMLOAYLB-SFHVURJKSA-N 1 0 400.523 2.316 20 0 HEADRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)C2 ZINC001168935639 1079078941 /nfs/dbraw/zinc/07/89/41/1079078941.db2.gz YOIUTLXOQXZWEK-JXHRLWIKSA-N 1 0 416.518 2.230 20 0 HEADRO CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168941894 1079081321 /nfs/dbraw/zinc/08/13/21/1079081321.db2.gz PMQKJLIRQIMWNV-PKOBYXMFSA-N 1 0 402.491 2.030 20 0 HEADRO CCOC(=O)c1nn([C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)c2c1C[NH2+]CC2 ZINC001168946022 1079083245 /nfs/dbraw/zinc/08/32/45/1079083245.db2.gz HNHUMCCKFJGBQK-MRXNPFEDSA-N 1 0 412.490 2.078 20 0 HEADRO COCC[N@H+](C)CCCC1CCN(C(=O)CN2c3ccccc3OCCC2=O)CC1 ZINC000766542593 1079084868 /nfs/dbraw/zinc/08/48/68/1079084868.db2.gz VZQWWXOBSYEQTF-UHFFFAOYSA-N 1 0 417.550 2.399 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCC(NC(=O)c4ccncc4)CC3)CC2=O)cc1 ZINC001168952498 1079085735 /nfs/dbraw/zinc/08/57/35/1079085735.db2.gz FCSMLSVIUHVQHN-OAQYLSRUSA-N 1 0 422.529 2.476 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@@H](Oc4ncc(OC)cn4)C3)CC2=O)cc1 ZINC001168956667 1079091267 /nfs/dbraw/zinc/09/12/67/1079091267.db2.gz WTUMFBSROMKPAP-PKOBYXMFSA-N 1 0 412.490 2.138 20 0 HEADRO COC(=O)[C@H]1Cc2cc(-n3c(CCC[NH3+])nc4ccc(Cl)cc43)cnc2NC1=O ZINC001168994481 1079095249 /nfs/dbraw/zinc/09/52/49/1079095249.db2.gz DPYJUUGVZCNBMF-AWEZNQCLSA-N 1 0 413.865 2.249 20 0 HEADRO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)C[C@](O)(C(N)=O)c1ccccc1 ZINC001169013514 1079099460 /nfs/dbraw/zinc/09/94/60/1079099460.db2.gz GZDGJCQMGOSDBJ-HSZRJFAPSA-N 1 0 413.518 2.386 20 0 HEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(-n2cncn2)cc1 ZINC000766565021 1079100828 /nfs/dbraw/zinc/10/08/28/1079100828.db2.gz WHMFCYDZVQVWOY-GFCCVEGCSA-N 1 0 403.430 2.232 20 0 HEADRO CCCCn1nc(C)c(-c2cc(C(=O)N3CCC(O)(C[NH+](C)C)CC3)[nH]n2)c1C ZINC001169031140 1079103283 /nfs/dbraw/zinc/10/32/83/1079103283.db2.gz KCZAHTGGCPJMMS-UHFFFAOYSA-N 1 0 402.543 2.219 20 0 HEADRO CC(C)Cn1ncc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1C(C)C ZINC000766571369 1079105567 /nfs/dbraw/zinc/10/55/67/1079105567.db2.gz JSQUAYOVCUUFHU-SFHVURJKSA-N 1 0 419.570 2.361 20 0 HEADRO O=C(NCc1ccc(C(=O)N2CC[NH+](CCCCCO)CC2)cc1)C1CCCC1 ZINC001169049207 1079115539 /nfs/dbraw/zinc/11/55/39/1079115539.db2.gz HAYMWXOWGLGLPT-UHFFFAOYSA-N 1 0 401.551 2.413 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc(CO)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170021092 1079113597 /nfs/dbraw/zinc/11/35/97/1079113597.db2.gz UORHIKGMLCBZBF-MSOLQXFVSA-N 1 0 421.563 2.179 20 0 HEADRO Cc1ccc(N2C[C@H](C(=O)N3CC[NH+](CCCCCO)CC3)CCC2=O)cc1C ZINC001169050748 1079116496 /nfs/dbraw/zinc/11/64/96/1079116496.db2.gz UAUYSHPLXUUVFD-HXUWFJFHSA-N 1 0 401.551 2.353 20 0 HEADRO C[C@H](Sc1nc(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cs1)C(N)=O ZINC001169051005 1079116566 /nfs/dbraw/zinc/11/65/66/1079116566.db2.gz VUKNEHQWGQTMLR-JQFCIGGWSA-N 1 0 416.572 2.137 20 0 HEADRO CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000766580081 1079120517 /nfs/dbraw/zinc/12/05/17/1079120517.db2.gz AGUJFOITVTZMRH-IEBWSBKVSA-N 1 0 416.522 2.202 20 0 HEADRO Cc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)n1 ZINC000766584985 1079134611 /nfs/dbraw/zinc/13/46/11/1079134611.db2.gz QQWCCULDDMGEIM-OAQYLSRUSA-N 1 0 407.518 2.444 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCSCC4)cc3)CC[C@@H]21 ZINC000766586086 1079135864 /nfs/dbraw/zinc/13/58/64/1079135864.db2.gz SQYSPHIJZWKVNX-LPHOPBHVSA-N 1 0 402.564 2.121 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(-n4cnc5ccccc54)nc3)CC[C@H]21 ZINC000766586670 1079139267 /nfs/dbraw/zinc/13/92/67/1079139267.db2.gz UGKVOTZZHWOGJQ-VQIMIIECSA-N 1 0 418.501 2.302 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(-n4cnc5ccccc54)nc3)CC[C@@H]21 ZINC000766586668 1079139295 /nfs/dbraw/zinc/13/92/95/1079139295.db2.gz UGKVOTZZHWOGJQ-LPHOPBHVSA-N 1 0 418.501 2.302 20 0 HEADRO C[C@H]1C[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CCN1c1nccn2cnnc12 ZINC000771118481 1079140508 /nfs/dbraw/zinc/14/05/08/1079140508.db2.gz CEYIJYDBVULQLH-BBRMVZONSA-N 1 0 406.412 2.387 20 0 HEADRO COC1CCC([NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170021360 1079141011 /nfs/dbraw/zinc/14/10/11/1079141011.db2.gz CIXJNRVPUTUJTN-XGHPGWEVSA-N 1 0 413.584 2.445 20 0 HEADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000766595835 1079142516 /nfs/dbraw/zinc/14/25/16/1079142516.db2.gz QWTVLKSDPYIHTE-JKSUJKDBSA-N 1 0 408.506 2.123 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1 ZINC000766597251 1079143028 /nfs/dbraw/zinc/14/30/28/1079143028.db2.gz VDPQDDNGRRNNHX-UHFFFAOYSA-N 1 0 424.545 2.416 20 0 HEADRO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169128278 1079146631 /nfs/dbraw/zinc/14/66/31/1079146631.db2.gz CDPBXPJKKOONQZ-UIFYRBHJSA-N 1 0 407.555 2.485 20 0 HEADRO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000766600228 1079147188 /nfs/dbraw/zinc/14/71/88/1079147188.db2.gz GKJOLGJNMHDCRH-VQTJNVASSA-N 1 0 416.566 2.477 20 0 HEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000766601960 1079149617 /nfs/dbraw/zinc/14/96/17/1079149617.db2.gz KKKNWYHGVVGREJ-OAQYLSRUSA-N 1 0 420.513 2.057 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@]3(CC(=O)OC)CCCOC3)cc2)CC1 ZINC000771097057 1079150469 /nfs/dbraw/zinc/15/04/69/1079150469.db2.gz NJFOXSLAQOLEPD-NRFANRHFSA-N 1 0 404.511 2.062 20 0 HEADRO COc1ncc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cn1 ZINC001169137729 1079155300 /nfs/dbraw/zinc/15/53/00/1079155300.db2.gz MWKSUOQDZWCGKY-FCHUYYIVSA-N 1 0 417.513 2.455 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)C1CC1 ZINC001169112947 1079159564 /nfs/dbraw/zinc/15/95/64/1079159564.db2.gz QXOUYBMEUNHNMN-SFHVURJKSA-N 1 0 416.522 2.410 20 0 HEADRO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000766595073 1079162311 /nfs/dbraw/zinc/16/23/11/1079162311.db2.gz QNQZZHQQCNPQHW-UHFFFAOYSA-N 1 0 404.555 2.288 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001169160357 1079169735 /nfs/dbraw/zinc/16/97/35/1079169735.db2.gz DAJAYHMCXWGVGT-MRXNPFEDSA-N 1 0 409.534 2.271 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1ccc2c1cccc2C[NH3+] ZINC001169161792 1079170494 /nfs/dbraw/zinc/17/04/94/1079170494.db2.gz FVSCTPBAFBHDGZ-OAHLLOKOSA-N 1 0 408.506 2.279 20 0 HEADRO CN(C[C@@](C)(O)C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1)C(=O)OC(C)(C)C ZINC001169165878 1079174306 /nfs/dbraw/zinc/17/43/06/1079174306.db2.gz ZTRKCGFKLLOGKU-OPAMFIHVSA-N 1 0 418.538 2.137 20 0 HEADRO O=C(Nc1cc(N2CCCC2=O)ccc1F)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766609254 1079177086 /nfs/dbraw/zinc/17/70/86/1079177086.db2.gz WKEPFOZKMFUHKC-UHFFFAOYSA-N 1 0 416.497 2.368 20 0 HEADRO Cc1cnccc1[C@@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC001169190754 1079178961 /nfs/dbraw/zinc/17/89/61/1079178961.db2.gz KJVAKRAUAAJOSN-APWZRJJASA-N 1 0 424.549 2.437 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001169194048 1079181460 /nfs/dbraw/zinc/18/14/60/1079181460.db2.gz YDDYBTHLMQKCMA-KGLIPLIRSA-N 1 0 415.460 2.062 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc2ccn(C)c2c1 ZINC001169195247 1079182172 /nfs/dbraw/zinc/18/21/72/1079182172.db2.gz JRAPEZQLJINHEU-INIZCTEOSA-N 1 0 422.533 2.274 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001169200691 1079182923 /nfs/dbraw/zinc/18/29/23/1079182923.db2.gz BFTPKRLFWNRWFU-HKUYNNGSSA-N 1 0 424.549 2.095 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CCOc1ccccc1 ZINC001169201764 1079183609 /nfs/dbraw/zinc/18/36/09/1079183609.db2.gz LKUVVPIVHMPWKB-KRWDZBQOSA-N 1 0 413.522 2.003 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001169170647 1079186061 /nfs/dbraw/zinc/18/60/61/1079186061.db2.gz ZIJMDAJIDQFHBX-HOTGVXAUSA-N 1 0 415.513 2.352 20 0 HEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771137510 1079187456 /nfs/dbraw/zinc/18/74/56/1079187456.db2.gz SONMUVYGWSVMAG-RNODOKPDSA-N 1 0 424.904 2.093 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCc2c1cccc2F ZINC001169177213 1079190503 /nfs/dbraw/zinc/19/05/03/1079190503.db2.gz QHCJYMSVNKCUMC-KDOFPFPSSA-N 1 0 413.497 2.409 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC001169181601 1079193789 /nfs/dbraw/zinc/19/37/89/1079193789.db2.gz SDLRORRHBZUYLS-KDOFPFPSSA-N 1 0 413.497 2.409 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCCc2ccccc2C1 ZINC001169208204 1079195991 /nfs/dbraw/zinc/19/59/91/1079195991.db2.gz MNSPGGPTEAMQKI-KRWDZBQOSA-N 1 0 409.534 2.441 20 0 HEADRO COc1cccc2c1C[N@@H+]([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169211924 1079197251 /nfs/dbraw/zinc/19/72/51/1079197251.db2.gz JXUQBKINIYTNDW-OAHLLOKOSA-N 1 0 411.506 2.017 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3ncoc3C)cc2Cl)CC1 ZINC000771207302 1079205033 /nfs/dbraw/zinc/20/50/33/1079205033.db2.gz WTTBPQUOADGSMX-UHFFFAOYSA-N 1 0 419.913 2.423 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(Cn3nc(-c4ccccc4F)ccc3=O)CC2)CC1 ZINC000771172391 1079207959 /nfs/dbraw/zinc/20/79/59/1079207959.db2.gz BNRQSDBOBJLFOS-UHFFFAOYSA-N 1 0 413.541 2.497 20 0 HEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771180512 1079211692 /nfs/dbraw/zinc/21/16/92/1079211692.db2.gz UINVKNOZKUCDPP-ZUOKHONESA-N 1 0 424.904 2.046 20 0 HEADRO CCN1CCC([NH+]2CCC(c3cc4c(ncn4C)c(N4CCOCC4)n3)CC2)CC1 ZINC001169250823 1079211977 /nfs/dbraw/zinc/21/19/77/1079211977.db2.gz TVDJGSJCODWFHN-UHFFFAOYSA-N 1 0 412.582 2.469 20 0 HEADRO C[C@@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CCO1 ZINC000771237882 1079221269 /nfs/dbraw/zinc/22/12/69/1079221269.db2.gz HFBXMHNCYVPMAW-HZPDHXFCSA-N 1 0 420.529 2.226 20 0 HEADRO CCOC(=O)c1ncn(C2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)c1N ZINC001169252667 1079212752 /nfs/dbraw/zinc/21/27/52/1079212752.db2.gz IQCLSHBMJCMPIL-UHFFFAOYSA-N 1 0 411.506 2.258 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCc3c(F)cc(F)cc3C2)CC1 ZINC000766641512 1079213166 /nfs/dbraw/zinc/21/31/66/1079213166.db2.gz ZHGGHVUPLGGBGW-UHFFFAOYSA-N 1 0 414.456 2.240 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)CN3CC[C@H](c4ccccc4)NC3=O)CC[NH2+]2)c1 ZINC001169260275 1079214370 /nfs/dbraw/zinc/21/43/70/1079214370.db2.gz HNCKXOYOZAEVKK-RBBKRZOGSA-N 1 0 422.529 2.195 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170023105 1079215587 /nfs/dbraw/zinc/21/55/87/1079215587.db2.gz UMUGKFWSCDQDAJ-PMPSAXMXSA-N 1 0 413.584 2.445 20 0 HEADRO CC1(C)CCC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001169284019 1079219114 /nfs/dbraw/zinc/21/91/14/1079219114.db2.gz OENXBMMYLAJYGD-IBGZPJMESA-N 1 0 423.579 2.439 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C(C)C ZINC000771217154 1079232181 /nfs/dbraw/zinc/23/21/81/1079232181.db2.gz XKLFURWYKXNDOT-SFHVURJKSA-N 1 0 414.550 2.486 20 0 HEADRO CCOC(=O)c1cnc2c(I)cccc2c1-n1nncc1C[NH3+] ZINC001169310598 1079232362 /nfs/dbraw/zinc/23/23/62/1079232362.db2.gz JGXDKHFKQNEZTQ-UHFFFAOYSA-N 1 0 423.214 2.056 20 0 HEADRO CC(=O)NCc1nnn2c1C[N@@H+](C1CCC(OC(=O)c3ccccc3)CC1)CCC2 ZINC001169297380 1079227679 /nfs/dbraw/zinc/22/76/79/1079227679.db2.gz LNQPVKPEXUCWHM-UHFFFAOYSA-N 1 0 411.506 2.288 20 0 HEADRO CC(=O)N1CCOC[C@]2(C[N@@H+](C3CCC(OC(=O)c4ccccc4)CC3)CCO2)C1 ZINC001169297295 1079227783 /nfs/dbraw/zinc/22/77/83/1079227783.db2.gz INQGOMYCYLTCEZ-YDPRHXJPSA-N 1 0 416.518 2.104 20 0 HEADRO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)cc1 ZINC001109822535 1079230965 /nfs/dbraw/zinc/23/09/65/1079230965.db2.gz SYSPOUSFMNZFCF-AANPDWTMSA-N 1 0 402.535 2.193 20 0 HEADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000771215475 1079231360 /nfs/dbraw/zinc/23/13/60/1079231360.db2.gz KCBOJYIGAVPGPJ-UHFFFAOYSA-N 1 0 409.462 2.320 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C(=O)OC)c3)CC2)CO1 ZINC001169349623 1079233999 /nfs/dbraw/zinc/23/39/99/1079233999.db2.gz HBVWCEXFDZYGHY-VQTJNVASSA-N 1 0 404.507 2.138 20 0 HEADRO CO[C@@]1(C(F)(F)F)CCC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC001169334583 1079237090 /nfs/dbraw/zinc/23/70/90/1079237090.db2.gz ZEQAFWKEXNOFNH-SFHVURJKSA-N 1 0 400.397 2.343 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)O2)CO1 ZINC001169357804 1079241391 /nfs/dbraw/zinc/24/13/91/1079241391.db2.gz ODTCOUWHBPGWEZ-JYJNAYRXSA-N 1 0 400.516 2.101 20 0 HEADRO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2C[NH+](C)C)C1=O ZINC000771262867 1079252432 /nfs/dbraw/zinc/25/24/32/1079252432.db2.gz GGNSRKFABKGAJM-JOCHJYFZSA-N 1 0 410.474 2.163 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)CO1 ZINC001169389021 1079259460 /nfs/dbraw/zinc/25/94/60/1079259460.db2.gz BWXZEFZXUGYGAB-MUGJNUQGSA-N 1 0 423.579 2.227 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)c2)CC1 ZINC000771271845 1079259770 /nfs/dbraw/zinc/25/97/70/1079259770.db2.gz JQIKMBGVHQSBEU-RBBKRZOGSA-N 1 0 412.534 2.435 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)CO1 ZINC001169392702 1079262827 /nfs/dbraw/zinc/26/28/27/1079262827.db2.gz BACYUPCYESTUNG-XGXHKWSGSA-N 1 0 422.547 2.022 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392779 1079263864 /nfs/dbraw/zinc/26/38/64/1079263864.db2.gz QRUGOUYMEIXNDV-VBSBHUPXSA-N 1 0 423.579 2.085 20 0 HEADRO 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CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC2(CC1)OCC(=O)N(Cc1cccnc1)[C@@H]2C ZINC001169473896 1079311597 /nfs/dbraw/zinc/31/15/97/1079311597.db2.gz GLMDZKKOHMBVCN-RTBURBONSA-N 1 0 416.566 2.311 20 0 HEADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)C2)C(=O)C1 ZINC001169475565 1079313276 /nfs/dbraw/zinc/31/32/76/1079313276.db2.gz ZUNNKIVSBCDKEI-ZSYWTGECSA-N 1 0 407.555 2.488 20 0 HEADRO CCOC(=O)c1cncn1-c1ccc(NC2(C(=O)OCC)CC[NH+](C)CC2)cc1 ZINC001169496447 1079314210 /nfs/dbraw/zinc/31/42/10/1079314210.db2.gz VLXCRSZOKIQYRU-UHFFFAOYSA-N 1 0 400.479 2.488 20 0 HEADRO COc1c(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCCN2)ncnc1C1C[NH2+]C1 ZINC001169513775 1079318748 /nfs/dbraw/zinc/31/87/48/1079318748.db2.gz AWVZUVOZESURDS-SJLPKXTDSA-N 1 0 411.506 2.043 20 0 HEADRO O=C(OCc1ccccc1)[C@H]1CCCN[C@H](Nc2ncccc2N2CC[NH2+]CC2)C1 ZINC001169514768 1079319134 /nfs/dbraw/zinc/31/91/34/1079319134.db2.gz QZUPXGRNRVYZEK-PZJWPPBQSA-N 1 0 409.534 2.362 20 0 HEADRO 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C[NH+](C)C1(C)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC001169737232 1079393321 /nfs/dbraw/zinc/39/33/21/1079393321.db2.gz VYUSUULZEFOMMD-FQEVSTJZSA-N 1 0 424.904 2.189 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@H]([N@@H+]2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)C1 ZINC001169761552 1079399164 /nfs/dbraw/zinc/39/91/64/1079399164.db2.gz CTAPEIGUCAKMFL-FCHUYYIVSA-N 1 0 423.557 2.418 20 0 HEADRO Cn1cc(N2C[C@@]3(CC[N@@H+]([C@H]4CCCN(C(=O)c5ccccc5)C4)C3)CC2=O)cn1 ZINC001169771922 1079406369 /nfs/dbraw/zinc/40/63/69/1079406369.db2.gz LPUVXTNIZAVJJC-CVDCTZTESA-N 1 0 407.518 2.154 20 0 HEADRO Cn1cc(N2C[C@]3(CC[N@@H+]([C@@H]4CCCN(C(=O)c5ccccc5)C4)C3)CC2=O)cn1 ZINC001169771921 1079406770 /nfs/dbraw/zinc/40/67/70/1079406770.db2.gz LPUVXTNIZAVJJC-AUSIDOKSSA-N 1 0 407.518 2.154 20 0 HEADRO O=C(N[C@@H]1C[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C[C@@H]2CCCO[C@H]12)C1CC1 ZINC001169773082 1079408601 /nfs/dbraw/zinc/40/86/01/1079408601.db2.gz UTZXNAVFUDVPDI-KJJMTIBFSA-N 1 0 411.546 2.297 20 0 HEADRO CN1CCC2(CC[NH+](C[C@@]3(O)CCCN(C(=O)OCc4ccccc4)C3)CC2)C1=O ZINC001169782548 1079416361 /nfs/dbraw/zinc/41/63/61/1079416361.db2.gz ZQSTWDLQDKWONM-QHCPKHFHSA-N 1 0 415.534 2.094 20 0 HEADRO CC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C ZINC000771655949 1079426389 /nfs/dbraw/zinc/42/63/89/1079426389.db2.gz TVHHMDQXDSDENC-HTAPYJJXSA-N 1 0 424.586 2.225 20 0 HEADRO Cc1ccc([C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)[C@H](C)S(C)(=O)=O)cc1 ZINC001169809961 1079427417 /nfs/dbraw/zinc/42/74/17/1079427417.db2.gz GDSQFGHBFWIHLY-CGTJXYLNSA-N 1 0 414.568 2.287 20 0 HEADRO Cc1cc(C)c(N2C[C@H](C(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)CC2=O)c(C)c1 ZINC000771659766 1079430637 /nfs/dbraw/zinc/43/06/37/1079430637.db2.gz DTRPHSLOEOPNJW-HXUWFJFHSA-N 1 0 414.594 2.497 20 0 HEADRO Cc1cc(C)c(N2C[C@@H](C(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)CC2=O)c(C)c1 ZINC000771659765 1079430710 /nfs/dbraw/zinc/43/07/10/1079430710.db2.gz DTRPHSLOEOPNJW-FQEVSTJZSA-N 1 0 414.594 2.497 20 0 HEADRO Cc1ccc(N2C[C@@H](C(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)CC2=O)cc1F ZINC000771661775 1079432323 /nfs/dbraw/zinc/43/23/23/1079432323.db2.gz UAWXGXJUBSVJRE-KRWDZBQOSA-N 1 0 404.530 2.019 20 0 HEADRO CC[C@@]1(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000771668493 1079437257 /nfs/dbraw/zinc/43/72/57/1079437257.db2.gz APQWXYMQSVJFKD-GCJKJVERSA-N 1 0 408.587 2.405 20 0 HEADRO Cc1csc([C@](O)(CC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C(F)(F)F)n1 ZINC000771664241 1079433602 /nfs/dbraw/zinc/43/36/02/1079433602.db2.gz VZXQZMAEOQSPLI-QGZVFWFLSA-N 1 0 422.517 2.124 20 0 HEADRO Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccccc3N3CC[NH+](C)CC3)C2)n(C)n1 ZINC000766849805 1079435620 /nfs/dbraw/zinc/43/56/20/1079435620.db2.gz VFWWLJXXFIXJLO-GOSISDBHSA-N 1 0 411.554 2.271 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC001169878663 1079451798 /nfs/dbraw/zinc/45/17/98/1079451798.db2.gz BCFLAYROCWTBQU-XWTMOSNGSA-N 1 0 407.555 2.247 20 0 HEADRO CS(=O)(=O)C1CCC([NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)CC1 ZINC001169880046 1079453668 /nfs/dbraw/zinc/45/36/68/1079453668.db2.gz BLOYFUILGGBSFT-UHFFFAOYSA-N 1 0 405.564 2.252 20 0 HEADRO COc1cccc(CN2CC[C@]3(CC[N@@H+](C4CCC(S(C)(=O)=O)CC4)C3)C2=O)c1 ZINC001169881918 1079456703 /nfs/dbraw/zinc/45/67/03/1079456703.db2.gz YIFDCOXHHSPZQQ-ZOGYUUGASA-N 1 0 420.575 2.475 20 0 HEADRO CS(=O)(=O)C1CCC([N@@H+]2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)CC1 ZINC001169884522 1079458418 /nfs/dbraw/zinc/45/84/18/1079458418.db2.gz GGGCACDHIFUQBZ-AEJJIKPWSA-N 1 0 420.531 2.200 20 0 HEADRO Cc1cc(=O)oc2cc(NC(=O)[C@H](C)[NH2+]C3CCC(S(C)(=O)=O)CC3)ccc12 ZINC001169863527 1079461777 /nfs/dbraw/zinc/46/17/77/1079461777.db2.gz IXMNWRWVMTTXJT-HLIUYOAVSA-N 1 0 406.504 2.374 20 0 HEADRO CS(=O)(=O)C1CCC([NH2+]Cc2ccc(N3CCCCS3(=O)=O)cc2)CC1 ZINC001169868724 1079463905 /nfs/dbraw/zinc/46/39/05/1079463905.db2.gz XBBPCDZGOGOGEX-UHFFFAOYSA-N 1 0 400.566 2.062 20 0 HEADRO CS(=O)(=O)C1CCC([NH2+]C2(Cc3cccc(F)c3)CCS(=O)(=O)CC2)CC1 ZINC001169873879 1079465473 /nfs/dbraw/zinc/46/54/73/1079465473.db2.gz PIDIRYMARNOFQL-UHFFFAOYSA-N 1 0 417.568 2.261 20 0 HEADRO CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CCCC2(C1)OCCO2 ZINC001169906413 1079472772 /nfs/dbraw/zinc/47/27/72/1079472772.db2.gz UWMFTIJLJWQRAU-KRWDZBQOSA-N 1 0 407.536 2.050 20 0 HEADRO Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1[C@@H]1CCCC2(C1)OCCO2 ZINC001169909564 1079473710 /nfs/dbraw/zinc/47/37/10/1079473710.db2.gz HGRAKTXPWHGTED-MRXNPFEDSA-N 1 0 410.478 2.135 20 0 HEADRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001169928291 1079478349 /nfs/dbraw/zinc/47/83/49/1079478349.db2.gz LQFRGMGRBCLPPA-PKOBYXMFSA-N 1 0 423.579 2.425 20 0 HEADRO CC(C)(C)OC(=O)NC1(CO)CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC001169934111 1079480715 /nfs/dbraw/zinc/48/07/15/1079480715.db2.gz XFNLEDZMTKIWPU-CYBMUJFWSA-N 1 0 406.392 2.287 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CCCC2(C1)OCCO2)C(=O)OC(C)(C)C ZINC001169935182 1079481840 /nfs/dbraw/zinc/48/18/40/1079481840.db2.gz IZQBNDBTRAKUDJ-GJZGRUSLSA-N 1 0 400.516 2.497 20 0 HEADRO O=C(C[C@H]1OC[C@H]2C[N@@H+]([C@H]3CCCC4(C3)OCCO4)CC[C@H]21)NCc1ccco1 ZINC001169944258 1079484277 /nfs/dbraw/zinc/48/42/77/1079484277.db2.gz DXNIROROPULYPN-PIKOESSRSA-N 1 0 404.507 2.309 20 0 HEADRO C[NH+](C)[C@@H](CNC(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755524 1079484842 /nfs/dbraw/zinc/48/48/42/1079484842.db2.gz FOUARNOBRXPWEV-HKUYNNGSSA-N 1 0 404.555 2.252 20 0 HEADRO CCN(C(=O)Nc1ccn(CCS(C)(=O)=O)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771753824 1079484989 /nfs/dbraw/zinc/48/49/89/1079484989.db2.gz MNGRMYMCUMSBTL-SFHVURJKSA-N 1 0 419.551 2.056 20 0 HEADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000766898451 1079486247 /nfs/dbraw/zinc/48/62/47/1079486247.db2.gz DWMNCLBXXGQOBB-OXQOHEQNSA-N 1 0 415.513 2.284 20 0 HEADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)c2C1 ZINC000737307981 1075904302 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QKOMLJAWAKUWOJ-SCLBCKFNSA-N 1 0 409.328 2.200 20 0 HEADRO C[C@]1(C2CCCCC2)NC(=O)N(CN2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738112285 1075966569 /nfs/dbraw/zinc/96/65/69/1075966569.db2.gz VMHGTHSHMHNVFY-JOCHJYFZSA-N 1 0 406.571 2.269 20 0 HEADRO C[C@@]1(C2CCCCC2)NC(=O)N(CN2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738112287 1075966755 /nfs/dbraw/zinc/96/67/55/1075966755.db2.gz VMHGTHSHMHNVFY-QFIPXVFZSA-N 1 0 406.571 2.269 20 0 HEADRO O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@@H](n2ccnc2)C1 ZINC000738147951 1075968879 /nfs/dbraw/zinc/96/88/79/1075968879.db2.gz HEWOHIXYDOOOMP-NFBKMPQASA-N 1 0 422.533 2.064 20 0 HEADRO Cc1ccc(-n2nnn(CN3CCN(C[C@H]4CCCC[N@H+]4C)CC3)c2=S)cc1C ZINC000738172910 1075972922 /nfs/dbraw/zinc/97/29/22/1075972922.db2.gz XMXIWXIXGRLADU-HXUWFJFHSA-N 1 0 415.611 2.475 20 0 HEADRO Cc1nn(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(=S)n1Cc1ccccc1 ZINC000738206745 1075973562 /nfs/dbraw/zinc/97/35/62/1075973562.db2.gz BRPHUWSBKCDYIB-HXUWFJFHSA-N 1 0 400.596 2.440 20 0 HEADRO C[N@@H+]1CCC[C@@H](N2CCN(Cn3nc(-c4ccncc4)n(C4CC4)c3=S)CC2)C1 ZINC000738215914 1075974585 /nfs/dbraw/zinc/97/45/85/1075974585.db2.gz XWTNDUDMFFJJCK-LJQANCHMSA-N 1 0 413.595 2.480 20 0 HEADRO C[N@@H+]1CCC[C@H](N2CCN(Cn3nc(-c4cccnc4)n(C4CC4)c3=S)CC2)C1 ZINC000738215139 1075974916 /nfs/dbraw/zinc/97/49/16/1075974916.db2.gz UDAPZGACVLALAP-IBGZPJMESA-N 1 0 413.595 2.480 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000738223475 1075975750 /nfs/dbraw/zinc/97/57/50/1075975750.db2.gz JSWBLYVKRSLDFP-UGSOOPFHSA-N 1 0 414.428 2.193 20 0 HEADRO C[NH+](C)C[C@H]1CCN(CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000738226262 1075975926 /nfs/dbraw/zinc/97/59/26/1075975926.db2.gz GDDUYILMZCMPIW-FZKQIMNGSA-N 1 0 409.328 2.057 20 0 HEADRO C[NH+](C)C[C@H]1CCN(Cn2nc(N3CCCCC3)n(C[C@H]3CCCO3)c2=S)C1 ZINC000738225692 1075976115 /nfs/dbraw/zinc/97/61/15/1075976115.db2.gz BLWQVYDANAYDCS-QZTJIDSGSA-N 1 0 408.616 2.424 20 0 HEADRO CC(C)[C@@H]1C[N@H+](C)CCN1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000738285261 1075979335 /nfs/dbraw/zinc/97/93/35/1075979335.db2.gz IYLGRYGVGWKVDV-LPHOPBHVSA-N 1 0 423.355 2.446 20 0 HEADRO Cc1ccc(OC[C@@H](O)C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000738326850 1075980378 /nfs/dbraw/zinc/98/03/78/1075980378.db2.gz POMLWHOKCSQKRD-IBGZPJMESA-N 1 0 407.555 2.219 20 0 HEADRO O=C(CCN1CCC[N@H+](C[C@@H]2CCCO2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000738318751 1075988950 /nfs/dbraw/zinc/98/89/50/1075988950.db2.gz RYSVZDJAOLBEAF-IBGZPJMESA-N 1 0 414.550 2.094 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)NCCNc2nccc(C(F)(F)F)n2)CC1 ZINC000738442529 1075996116 /nfs/dbraw/zinc/99/61/16/1075996116.db2.gz NDZRIJVEEVENOL-UHFFFAOYSA-N 1 0 423.443 2.481 20 0 HEADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC(C(=O)NCCO)CC2)c1 ZINC000771778788 1079501344 /nfs/dbraw/zinc/50/13/44/1079501344.db2.gz VQQUCCFDUHRYLR-UHFFFAOYSA-N 1 0 409.530 2.279 20 0 HEADRO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)COc1ccccc1F ZINC000738880482 1076021343 /nfs/dbraw/zinc/02/13/43/1076021343.db2.gz AWIDVCVXDXCJGM-KRWDZBQOSA-N 1 0 411.518 2.050 20 0 HEADRO Cn1ccnc1[C@](O)(CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(F)(F)F ZINC000738968478 1076027850 /nfs/dbraw/zinc/02/78/50/1076027850.db2.gz WJROQHCHZZJSDF-GOSISDBHSA-N 1 0 417.476 2.220 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)[NH+]1CCC(C)CC1 ZINC000739083309 1076033145 /nfs/dbraw/zinc/03/31/45/1076033145.db2.gz XLVCBNJNWCLSPH-ZWKOTPCHSA-N 1 0 402.539 2.087 20 0 HEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000739078500 1076038582 /nfs/dbraw/zinc/03/85/82/1076038582.db2.gz CPAWUWBRJSFUDB-ZSYWTGECSA-N 1 0 416.566 2.333 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000739084116 1076041422 /nfs/dbraw/zinc/04/14/22/1076041422.db2.gz YVGYGMSOSKLLNX-WIYYLYMNSA-N 1 0 424.545 2.139 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCC3(O)CCCCC3)cc2)CC1 ZINC000739091300 1076043973 /nfs/dbraw/zinc/04/39/73/1076043973.db2.gz WDFOLZKDYUAHFW-UHFFFAOYSA-N 1 0 416.566 2.215 20 0 HEADRO O=C(Nc1cccc(N2CCOC2=O)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000739119684 1076046367 /nfs/dbraw/zinc/04/63/67/1076046367.db2.gz MCOOOODREIPTHA-KRWDZBQOSA-N 1 0 400.479 2.059 20 0 HEADRO CC(C)n1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)n1 ZINC000739119720 1076046426 /nfs/dbraw/zinc/04/64/26/1076046426.db2.gz NCFTYMUTQNCTAE-UHFFFAOYSA-N 1 0 412.538 2.249 20 0 HEADRO CCCC(O)(CCC)CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000739119761 1076046741 /nfs/dbraw/zinc/04/67/41/1076046741.db2.gz UAQXOCCZWFBZSW-UHFFFAOYSA-N 1 0 404.555 2.215 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)cn2)CC1 ZINC000739688573 1076071957 /nfs/dbraw/zinc/07/19/57/1076071957.db2.gz PLDHABPYPZZJJY-DLBZAZTESA-N 1 0 403.527 2.465 20 0 HEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739723173 1076078919 /nfs/dbraw/zinc/07/89/19/1076078919.db2.gz GPVIDSAMAUCHBQ-QYZOEREBSA-N 1 0 408.587 2.308 20 0 HEADRO COC(=O)C1=C(CN2CC[C@@H](C[NH+]3CCCC3)C2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000739926308 1076093724 /nfs/dbraw/zinc/09/37/24/1076093724.db2.gz LNRCGXBORCCTTR-LAUBAEHRSA-N 1 0 412.534 2.228 20 0 HEADRO CC[C@H]1CCCCC[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000739926618 1076093916 /nfs/dbraw/zinc/09/39/16/1076093916.db2.gz ILCVMFQEEHQCNI-KKSFZXQISA-N 1 0 402.495 2.148 20 0 HEADRO NC(=O)c1c(NC(=O)CCN2CC[C@H](C[NH+]3CCCC3)C2)sc2c1CCCC2 ZINC000739927006 1076094302 /nfs/dbraw/zinc/09/43/02/1076094302.db2.gz YZEZADCFVFUOLL-OAHLLOKOSA-N 1 0 404.580 2.472 20 0 HEADRO CCOC(=O)C1C(CN2CC[C@H](C[NH+]3CCCC3)C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000739926984 1076094370 /nfs/dbraw/zinc/09/43/70/1076094370.db2.gz QRVDODSWGNWILZ-DYESRHJHSA-N 1 0 412.534 2.275 20 0 HEADRO CCOC(=O)C1C(CN2CC[C@@H](C[NH+]3CCCC3)C2)=NC(=O)N[C@H]1c1ccccc1 ZINC000739926989 1076094390 /nfs/dbraw/zinc/09/43/90/1076094390.db2.gz QRVDODSWGNWILZ-UWJYYQICSA-N 1 0 412.534 2.275 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC000740022358 1076103029 /nfs/dbraw/zinc/10/30/29/1076103029.db2.gz DBAJRHXNVWZVTQ-UHFFFAOYSA-N 1 0 409.416 2.096 20 0 HEADRO CC[N@@H+]1C[C@H](C)N(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C[C@@H]1C ZINC000766250695 1076150768 /nfs/dbraw/zinc/15/07/68/1076150768.db2.gz AKLFUIGKWSHBRJ-IRXDYDNUSA-N 1 0 404.530 2.091 20 0 HEADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000740480624 1076169450 /nfs/dbraw/zinc/16/94/50/1076169450.db2.gz BHIXVBDTEMJBFP-RBUKOAKNSA-N 1 0 420.941 2.388 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1)C[NH+]1CCCCC1 ZINC000740496756 1076175376 /nfs/dbraw/zinc/17/53/76/1076175376.db2.gz ZGCZSQXPCQRREZ-GOSISDBHSA-N 1 0 410.518 2.073 20 0 HEADRO C[NH+]1CCN(C(C)(C)CNC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000740469450 1076185009 /nfs/dbraw/zinc/18/50/09/1076185009.db2.gz YXOXXXUHGDWWSB-UHFFFAOYSA-N 1 0 411.591 2.148 20 0 HEADRO O=C(CNC(=O)OCC(F)(F)F)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000740710455 1076214080 /nfs/dbraw/zinc/21/40/80/1076214080.db2.gz HAFBLYDPPQYTIZ-UHFFFAOYSA-N 1 0 421.391 2.074 20 0 HEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000740757672 1076228453 /nfs/dbraw/zinc/22/84/53/1076228453.db2.gz SPZVTQNULHSUBG-IYBDPMFKSA-N 1 0 420.529 2.368 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(S(N)(=O)=O)c(Br)s2)C[C@@H]1C ZINC000740841531 1076264219 /nfs/dbraw/zinc/26/42/19/1076264219.db2.gz SOJBQOUYOAOYNY-VHSXEESVSA-N 1 0 424.386 2.103 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(S(N)(=O)=O)c(Br)s2)C[C@H]1C ZINC000740841532 1076264292 /nfs/dbraw/zinc/26/42/92/1076264292.db2.gz SOJBQOUYOAOYNY-ZJUUUORDSA-N 1 0 424.386 2.103 20 0 HEADRO CCOC(=O)C1C(CN(C)C2CC[NH+](CC)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000740874571 1076277189 /nfs/dbraw/zinc/27/71/89/1076277189.db2.gz QQXUNFNFDXIZKC-HXUWFJFHSA-N 1 0 400.523 2.274 20 0 HEADRO O=C1CCCN1C[C@H]1CCCCN1CCC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000740877667 1076278549 /nfs/dbraw/zinc/27/85/49/1076278549.db2.gz WKPSHKCEOFSXAE-NHCUHLMSSA-N 1 0 404.599 2.330 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@H]1C ZINC000740883340 1076283108 /nfs/dbraw/zinc/28/31/08/1076283108.db2.gz NOAKXXVXCNNRNC-ZIAGYGMSSA-N 1 0 403.495 2.426 20 0 HEADRO CC[C@@H]1C[N@H+](CCC(=O)NC(=O)NC)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740886893 1076286502 /nfs/dbraw/zinc/28/65/02/1076286502.db2.gz FWWPCQJFHIMOGH-ZWKOTPCHSA-N 1 0 404.511 2.344 20 0 HEADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000740893384 1076293695 /nfs/dbraw/zinc/29/36/95/1076293695.db2.gz KRTGFYYHMPVFEE-VGOFMYFVSA-N 1 0 416.385 2.319 20 0 HEADRO CC(C)CCn1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000740990245 1076320501 /nfs/dbraw/zinc/32/05/01/1076320501.db2.gz SXPDCNLGKLYJRQ-IEBWSBKVSA-N 1 0 413.522 2.260 20 0 HEADRO CC[C@H](C(=O)OCC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)[NH+](CC)CC ZINC000741032230 1076331875 /nfs/dbraw/zinc/33/18/75/1076331875.db2.gz HWFRJEGRXFNLBU-PKOBYXMFSA-N 1 0 409.571 2.147 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000741076528 1076354769 /nfs/dbraw/zinc/35/47/69/1076354769.db2.gz SEZVZDACVAJKDS-KSZLIROESA-N 1 0 412.575 2.288 20 0 HEADRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc(N2CCOC2=O)c1 ZINC000741083417 1076357555 /nfs/dbraw/zinc/35/75/55/1076357555.db2.gz OUIJYEQBLDVVCE-MRXNPFEDSA-N 1 0 404.511 2.192 20 0 HEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2F)c(OCC[NH+](C)C)c1 ZINC000741105495 1076358009 /nfs/dbraw/zinc/35/80/09/1076358009.db2.gz WCANTSPQZJODOL-KRWDZBQOSA-N 1 0 421.444 2.002 20 0 HEADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000741104404 1076376913 /nfs/dbraw/zinc/37/69/13/1076376913.db2.gz BHNXAWQFRJXDTL-GOSISDBHSA-N 1 0 421.444 2.084 20 0 HEADRO COc1ccc([C@@H]2[C@H](COC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC[N@@H+]2C)cc1 ZINC000741120526 1076378976 /nfs/dbraw/zinc/37/89/76/1076378976.db2.gz HNDUJNLXKCSIMC-HKJQZYRSSA-N 1 0 414.502 2.406 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000741222948 1076411136 /nfs/dbraw/zinc/41/11/36/1076411136.db2.gz DCFNWTKRUIYHCS-PXNSSMCTSA-N 1 0 404.507 2.344 20 0 HEADRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCC(=O)Nc1ccc(N3CCOCC3)cc1)CC2 ZINC000741250996 1076419693 /nfs/dbraw/zinc/41/96/93/1076419693.db2.gz HYJNIJMERBAAFQ-RTWAWAEBSA-N 1 0 417.550 2.104 20 0 HEADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@H](O)c3ccc(C)o3)cc2)CC1 ZINC000741269388 1076438546 /nfs/dbraw/zinc/43/85/46/1076438546.db2.gz JONCKKSBYRYMLJ-FQEVSTJZSA-N 1 0 400.523 2.258 20 0 HEADRO Cc1ccc([C@@H](O)CNC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)o1 ZINC000741272398 1076439542 /nfs/dbraw/zinc/43/95/42/1076439542.db2.gz ZCSRRHHLDIPVNH-UXHICEINSA-N 1 0 400.523 2.299 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)c3ccc(NC(N)=O)cc3)cc2)CC1 ZINC000741341274 1076475854 /nfs/dbraw/zinc/47/58/54/1076475854.db2.gz JYHGGRJRMWPKKF-UHFFFAOYSA-N 1 0 410.474 2.359 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000741336692 1076481515 /nfs/dbraw/zinc/48/15/15/1076481515.db2.gz BUVBOLPFZGPODY-VQIMIIECSA-N 1 0 424.563 2.109 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)OCC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000741338119 1076482042 /nfs/dbraw/zinc/48/20/42/1076482042.db2.gz MIDQCRJIIHKVJC-HXUWFJFHSA-N 1 0 403.523 2.202 20 0 HEADRO COC(=O)c1cc(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000741394364 1076509715 /nfs/dbraw/zinc/50/97/15/1076509715.db2.gz XGWQFEVEDHUBIN-OAQYLSRUSA-N 1 0 401.438 2.371 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000741404218 1076511397 /nfs/dbraw/zinc/51/13/97/1076511397.db2.gz LJLMYLYNULQOEZ-MSOLQXFVSA-N 1 0 409.914 2.450 20 0 HEADRO CCn1c(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc2ccccc21 ZINC000741406757 1076512437 /nfs/dbraw/zinc/51/24/37/1076512437.db2.gz YVRKYDAAIKYSCI-HSZRJFAPSA-N 1 0 407.518 2.492 20 0 HEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000741432373 1076525410 /nfs/dbraw/zinc/52/54/10/1076525410.db2.gz SJEFWWUXZQUKLG-QGZVFWFLSA-N 1 0 423.872 2.208 20 0 HEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC[S@](=O)Cc2ccccc2)CC1 ZINC000741420289 1076533303 /nfs/dbraw/zinc/53/33/03/1076533303.db2.gz NJTUENWFWYXDSY-LNIFMVABSA-N 1 0 420.623 2.135 20 0 HEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC[S@](=O)Cc2ccccc2)CC1 ZINC000741420291 1076533378 /nfs/dbraw/zinc/53/33/78/1076533378.db2.gz NJTUENWFWYXDSY-PCFSMJPMSA-N 1 0 420.623 2.135 20 0 HEADRO COc1ccc(NC(=S)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1Cl ZINC000741501625 1076539352 /nfs/dbraw/zinc/53/93/52/1076539352.db2.gz PQVAMRQTMKNSGB-UHFFFAOYSA-N 1 0 410.931 2.032 20 0 HEADRO CC(C)Oc1ccc(NC(=S)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000741502376 1076539366 /nfs/dbraw/zinc/53/93/66/1076539366.db2.gz WBHLMNZPTBBPOK-UHFFFAOYSA-N 1 0 404.540 2.157 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)[C@@H](C)C1 ZINC000741589056 1076547308 /nfs/dbraw/zinc/54/73/08/1076547308.db2.gz JYCLUBDSUXALCC-ZFWWWQNUSA-N 1 0 422.576 2.100 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000741584373 1076553612 /nfs/dbraw/zinc/55/36/12/1076553612.db2.gz JCDNLCFPPPUKGV-QAPCUYQASA-N 1 0 411.543 2.413 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000741583467 1076553970 /nfs/dbraw/zinc/55/39/70/1076553970.db2.gz FLOHVEAFTKRIGL-MYRUOYEDSA-N 1 0 422.529 2.405 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H](C)C1 ZINC000741584580 1076555052 /nfs/dbraw/zinc/55/50/52/1076555052.db2.gz QQWBYOAOBCCCOR-SUMWQHHRSA-N 1 0 401.960 2.393 20 0 HEADRO Cn1ncc2c1nc(CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[nH]c2=O ZINC000741604426 1076562694 /nfs/dbraw/zinc/56/26/94/1076562694.db2.gz DABXJNNZCUWNAS-SCLBCKFNSA-N 1 0 414.535 2.262 20 0 HEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)cn1 ZINC000741607460 1076564147 /nfs/dbraw/zinc/56/41/47/1076564147.db2.gz HKKIYKFAIVRLHB-UHFFFAOYSA-N 1 0 415.441 2.425 20 0 HEADRO Cn1cc(-c2cccc(C(=O)NCCCC[NH+]3CCN(c4ncccn4)CC3)c2)cn1 ZINC000741687046 1076586111 /nfs/dbraw/zinc/58/61/11/1076586111.db2.gz MIRNCVVCDKSLPS-UHFFFAOYSA-N 1 0 419.533 2.209 20 0 HEADRO C[C@H]1C[C@H](NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000741721191 1076592854 /nfs/dbraw/zinc/59/28/54/1076592854.db2.gz HCEGXVQPRWMBTL-FUHWJXTLSA-N 1 0 408.568 2.018 20 0 HEADRO C[C@H]1C[C@H](NC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC[N@@H+]1C ZINC000741722497 1076593653 /nfs/dbraw/zinc/59/36/53/1076593653.db2.gz PJABPTXBUBQJKM-WMLDXEAASA-N 1 0 412.515 2.460 20 0 HEADRO C[C@@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC[N@@H+]1C ZINC000741723870 1076594722 /nfs/dbraw/zinc/59/47/22/1076594722.db2.gz JJVXJRRZHCLVST-KPLTVOQBSA-N 1 0 405.564 2.298 20 0 HEADRO C[C@@H]1C[C@H](N(C)C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000741709762 1076600595 /nfs/dbraw/zinc/60/05/95/1076600595.db2.gz WQYIASTXSISXTA-YLJYHZDGSA-N 1 0 422.595 2.360 20 0 HEADRO COCCC[N@H+](C)CCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000741726014 1076608307 /nfs/dbraw/zinc/60/83/07/1076608307.db2.gz BXVRYAYBKLWZLI-UHFFFAOYSA-N 1 0 406.552 2.293 20 0 HEADRO CN(CC1CC[NH+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000741779550 1076624223 /nfs/dbraw/zinc/62/42/23/1076624223.db2.gz LKAPLVMQQZTHIE-GOSISDBHSA-N 1 0 405.543 2.494 20 0 HEADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(c3cccc(C)c3C)CC2)CC1 ZINC000741807479 1076644348 /nfs/dbraw/zinc/64/43/48/1076644348.db2.gz DLAJGFJTIHSXCW-IBGZPJMESA-N 1 0 417.550 2.276 20 0 HEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)Cc1ccccc1 ZINC000766280008 1076672155 /nfs/dbraw/zinc/67/21/55/1076672155.db2.gz QPYZDLNJDDBVHS-OAHLLOKOSA-N 1 0 405.296 2.072 20 0 HEADRO CN1CCC(CNC(=O)c2cc(N3CCOC3=O)ccc2F)([NH+]2CCCCC2)CC1 ZINC000742010447 1076705604 /nfs/dbraw/zinc/70/56/04/1076705604.db2.gz LOFGAVNXQUKCOJ-UHFFFAOYSA-N 1 0 418.513 2.462 20 0 HEADRO CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000742012447 1076707164 /nfs/dbraw/zinc/70/71/64/1076707164.db2.gz VDZFRDADHOKATH-UUVGHFPGSA-N 1 0 422.639 2.311 20 0 HEADRO C[C@H](CNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000742048250 1076717710 /nfs/dbraw/zinc/71/77/10/1076717710.db2.gz ORDLHRDLGKPHNQ-IAGOWNOFSA-N 1 0 420.579 2.084 20 0 HEADRO CC(C)(C)OC(=O)N(CC(=O)N1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCO1 ZINC000742036483 1076727608 /nfs/dbraw/zinc/72/76/08/1076727608.db2.gz JWXYUQFTQDDFJR-SFHVURJKSA-N 1 0 404.511 2.146 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(N2CCNC2=O)ccc1Cl ZINC000742074241 1076735823 /nfs/dbraw/zinc/73/58/23/1076735823.db2.gz ICONWQIBHWCCLK-MRXNPFEDSA-N 1 0 406.914 2.243 20 0 HEADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742107857 1076744186 /nfs/dbraw/zinc/74/41/86/1076744186.db2.gz XCQLYKPQKPZNPE-UXHICEINSA-N 1 0 403.523 2.118 20 0 HEADRO O=C(OCc1ccccc1)N1CCC(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000742107816 1076744221 /nfs/dbraw/zinc/74/42/21/1076744221.db2.gz VBWWBCHGRQVRDD-FQEVSTJZSA-N 1 0 415.534 2.216 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)CC1 ZINC000742098336 1076749561 /nfs/dbraw/zinc/74/95/61/1076749561.db2.gz LMCYMRPNJNBZHH-UHFFFAOYSA-N 1 0 407.536 2.091 20 0 HEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000742134917 1076750190 /nfs/dbraw/zinc/75/01/90/1076750190.db2.gz AVNZVPQQSZGAQE-AWEZNQCLSA-N 1 0 415.506 2.352 20 0 HEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000742135526 1076751008 /nfs/dbraw/zinc/75/10/08/1076751008.db2.gz GOOSLBJCDGHEIK-LBPRGKRZSA-N 1 0 418.357 2.043 20 0 HEADRO CCNC(=S)C(C(=O)c1ccc(N2CCOC2=O)cc1)[n+]1ccc(N(C)C)cc1 ZINC000742143102 1076756235 /nfs/dbraw/zinc/75/62/35/1076756235.db2.gz RMEOVEKNVDTXPQ-UHFFFAOYSA-O 1 0 413.523 2.297 20 0 HEADRO CCCn1c2nn(CN3CC[C@H]([NH+]4CC=CC4)C3)c(=S)n2c2ccccc2c1=O ZINC000742163082 1076773326 /nfs/dbraw/zinc/77/33/26/1076773326.db2.gz PAKGPGVQQJRDED-INIZCTEOSA-N 1 0 410.547 2.494 20 0 HEADRO C[NH+]1CCC2(CCN2C(=O)COc2ccc(I)cc2)CC1 ZINC000742186506 1076776400 /nfs/dbraw/zinc/77/64/00/1076776400.db2.gz DAQJAGUBBDNTMV-UHFFFAOYSA-N 1 0 400.260 2.367 20 0 HEADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@H+]3CCC[C@@H]3C)CC2)cc1C ZINC000742238672 1076803543 /nfs/dbraw/zinc/80/35/43/1076803543.db2.gz GZHAAKRQQSLMIH-SFHVURJKSA-N 1 0 407.580 2.305 20 0 HEADRO C[C@@H](CNS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000742277857 1076808860 /nfs/dbraw/zinc/80/88/60/1076808860.db2.gz GJJGLOFULTXRLO-ICSRJNTNSA-N 1 0 423.579 2.439 20 0 HEADRO COC(=O)CN1CCN(c2ccc(NC(=O)C3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000742252390 1076809891 /nfs/dbraw/zinc/80/98/91/1076809891.db2.gz ZMPOWMMCOBUGOM-UHFFFAOYSA-N 1 0 402.539 2.041 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742303850 1076812756 /nfs/dbraw/zinc/81/27/56/1076812756.db2.gz BLDKGKGIQAXJCX-HOJAQTOUSA-N 1 0 423.579 2.389 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1Br ZINC000742305171 1076813401 /nfs/dbraw/zinc/81/34/01/1076813401.db2.gz PDFKPHAWQGUGKV-ABAIWWIYSA-N 1 0 419.341 2.196 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1Br ZINC000742309978 1076814567 /nfs/dbraw/zinc/81/45/67/1076814567.db2.gz SVNSXSCXSUZBQM-NXEZZACHSA-N 1 0 423.304 2.136 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)cc1F ZINC000742309699 1076814760 /nfs/dbraw/zinc/81/47/60/1076814760.db2.gz UEVBSAHWUHQGNP-VHSXEESVSA-N 1 0 423.304 2.136 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC000742283605 1076815623 /nfs/dbraw/zinc/81/56/23/1076815623.db2.gz VMRFSONMCMSBHC-ZACQAIPSSA-N 1 0 401.573 2.274 20 0 HEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000742296733 1076821103 /nfs/dbraw/zinc/82/11/03/1076821103.db2.gz QVUXKEXODUSGMK-INIZCTEOSA-N 1 0 416.927 2.048 20 0 HEADRO CCn1nc(C)c(S(=O)(=O)Oc2ccc(C(=O)NCC[NH+](CC)CC)cc2)c1C ZINC000742299061 1076822019 /nfs/dbraw/zinc/82/20/19/1076822019.db2.gz RTULDGQBWAODAD-UHFFFAOYSA-N 1 0 422.551 2.359 20 0 HEADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000742314632 1076828356 /nfs/dbraw/zinc/82/83/56/1076828356.db2.gz KODBSBFAWOLJBF-UHFFFAOYSA-N 1 0 408.973 2.144 20 0 HEADRO C[C@H](CNS(=O)(=O)/C=C/c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000742314195 1076828375 /nfs/dbraw/zinc/82/83/75/1076828375.db2.gz WCLBPXOVUCDFRX-CUXKMMBLSA-N 1 0 416.385 2.223 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)C1 ZINC000742344164 1076831294 /nfs/dbraw/zinc/83/12/94/1076831294.db2.gz QKMKSSPEBRVEDJ-SFHVURJKSA-N 1 0 409.552 2.001 20 0 HEADRO NS(=O)(=O)c1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000742392314 1076833546 /nfs/dbraw/zinc/83/35/46/1076833546.db2.gz HHNUFTDQDSYVHG-CYBMUJFWSA-N 1 0 407.458 2.408 20 0 HEADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)c3cccnc3-n3cccn3)CC2)CC1 ZINC000742398516 1076834456 /nfs/dbraw/zinc/83/44/56/1076834456.db2.gz WIBCPRJGXCONOE-UHFFFAOYSA-N 1 0 424.549 2.062 20 0 HEADRO NC(=O)[C@H]1CC(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000742485132 1076846596 /nfs/dbraw/zinc/84/65/96/1076846596.db2.gz WPIPXIVEAQWUQB-SIKLNZKXSA-N 1 0 419.529 2.135 20 0 HEADRO C[C@@H]1NC(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000742484698 1076846605 /nfs/dbraw/zinc/84/66/05/1076846605.db2.gz MDWZZNDXOSTBMV-AZUAARDMSA-N 1 0 419.529 2.353 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)ccn2)CC1 ZINC000742547924 1076850957 /nfs/dbraw/zinc/85/09/57/1076850957.db2.gz VOLBWUQBYZFGON-SFHVURJKSA-N 1 0 417.554 2.239 20 0 HEADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC1SC(=N)NC1=O ZINC000742592651 1076853209 /nfs/dbraw/zinc/85/32/09/1076853209.db2.gz DVDWKVBEFPPMLO-ZDUSSCGKSA-N 1 0 402.442 2.152 20 0 HEADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742582827 1076853288 /nfs/dbraw/zinc/85/32/88/1076853288.db2.gz KVLQTGGHELEHOC-IBGZPJMESA-N 1 0 405.539 2.476 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000742646012 1076857436 /nfs/dbraw/zinc/85/74/36/1076857436.db2.gz CNUQIFUCGPHADU-ZDUSSCGKSA-N 1 0 402.417 2.163 20 0 HEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000742646862 1076857609 /nfs/dbraw/zinc/85/76/09/1076857609.db2.gz UGHQVYOBEIVXTD-IEBWSBKVSA-N 1 0 404.555 2.047 20 0 HEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000742646863 1076857633 /nfs/dbraw/zinc/85/76/33/1076857633.db2.gz UGHQVYOBEIVXTD-MJGOQNOKSA-N 1 0 404.555 2.047 20 0 HEADRO CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000742669400 1076862623 /nfs/dbraw/zinc/86/26/23/1076862623.db2.gz KXLSXVIIAAHOSF-NRFANRHFSA-N 1 0 400.567 2.271 20 0 HEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cccc4c3OCCO4)CC2)cc1 ZINC000742725404 1076870129 /nfs/dbraw/zinc/87/01/29/1076870129.db2.gz QSONGPZYGXOMFP-UHFFFAOYSA-N 1 0 418.515 2.409 20 0 HEADRO Cn1ccnc1[C@@](O)(CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C(F)(F)F ZINC000742789593 1076879292 /nfs/dbraw/zinc/87/92/92/1076879292.db2.gz AESIAYZMOBTFFQ-LPHOPBHVSA-N 1 0 410.440 2.293 20 0 HEADRO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CC[C@H](C[NH+](CC)CC)C2)C1 ZINC000742865726 1076890055 /nfs/dbraw/zinc/89/00/55/1076890055.db2.gz JDTUPZJBWUKREQ-XLIONFOSSA-N 1 0 400.523 2.375 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)C1 ZINC000742910763 1076891106 /nfs/dbraw/zinc/89/11/06/1076891106.db2.gz KKVJDBOMYVZCRM-MRXNPFEDSA-N 1 0 420.558 2.264 20 0 HEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)cc2)CC1 ZINC000742896685 1076893889 /nfs/dbraw/zinc/89/38/89/1076893889.db2.gz BPWHTAPCXCNHAT-NRFANRHFSA-N 1 0 409.486 2.033 20 0 HEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CC(c4ccccc4)=NO3)cc2)CC1 ZINC000742898013 1076894468 /nfs/dbraw/zinc/89/44/68/1076894468.db2.gz QZEMSQXNOKAXIH-QFIPXVFZSA-N 1 0 408.502 2.445 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)C1 ZINC000742915095 1076896950 /nfs/dbraw/zinc/89/69/50/1076896950.db2.gz CCXOJFLAZRJLFQ-KRWDZBQOSA-N 1 0 401.511 2.015 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000742915411 1076897095 /nfs/dbraw/zinc/89/70/95/1076897095.db2.gz KLZSRJSZQWLYGK-GRFAERAESA-N 1 0 419.591 2.499 20 0 HEADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000743010794 1076925534 /nfs/dbraw/zinc/92/55/34/1076925534.db2.gz HGHGMZFVWRVQET-UHFFFAOYSA-N 1 0 411.015 2.489 20 0 HEADRO COCCC[N@H+](C)CCNC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000743075876 1076944318 /nfs/dbraw/zinc/94/43/18/1076944318.db2.gz PUVQRZIOWPKDFD-UHFFFAOYSA-N 1 0 402.289 2.310 20 0 HEADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=S)NCCCN1CCOCC1 ZINC000743060348 1076947576 /nfs/dbraw/zinc/94/75/76/1076947576.db2.gz BSIGYVALJUYYGM-OAQYLSRUSA-N 1 0 404.624 2.427 20 0 HEADRO CN1CCC(CNC(=O)Nc2ccn(Cc3ccccn3)n2)([NH+]2CCCCC2)CC1 ZINC000743166344 1076985133 /nfs/dbraw/zinc/98/51/33/1076985133.db2.gz MPQJIKMPVRAFEM-UHFFFAOYSA-N 1 0 411.554 2.398 20 0 HEADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)C1 ZINC000743207435 1077000304 /nfs/dbraw/zinc/00/03/04/1077000304.db2.gz LEHCZBGLZJQCLY-IRXDYDNUSA-N 1 0 411.572 2.046 20 0 HEADRO CS(=O)(=O)CCn1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000743209399 1077001318 /nfs/dbraw/zinc/00/13/18/1077001318.db2.gz XGLGAUWHIZCWGI-KRWDZBQOSA-N 1 0 411.572 2.094 20 0 HEADRO COc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1N1CCOC1=O ZINC000743229990 1077007437 /nfs/dbraw/zinc/00/74/37/1077007437.db2.gz MNBXZKVHQZERPI-SFHVURJKSA-N 1 0 419.526 2.045 20 0 HEADRO COc1ccc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1N1CCOC1=O ZINC000743231087 1077008148 /nfs/dbraw/zinc/00/81/48/1077008148.db2.gz 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CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000743320583 1077028318 /nfs/dbraw/zinc/02/83/18/1077028318.db2.gz ARVPYFMMYNBHAX-NRFANRHFSA-N 1 0 410.518 2.165 20 0 HEADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000743375114 1077035139 /nfs/dbraw/zinc/03/51/39/1077035139.db2.gz GEJASPJOXNRLIN-YOEHRIQHSA-N 1 0 407.584 2.401 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)C1 ZINC000743387380 1077039486 /nfs/dbraw/zinc/03/94/86/1077039486.db2.gz HPXLICRAFMOARF-OAHLLOKOSA-N 1 0 400.552 2.338 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000743390700 1077040002 /nfs/dbraw/zinc/04/00/02/1077040002.db2.gz UZRYDVJYFRUGLY-LXGFQCHUSA-N 1 0 416.566 2.367 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CN2c3cc4c(cc3C(=O)C2=O)OCCO4)C1 ZINC000743374394 1077043893 /nfs/dbraw/zinc/04/38/93/1077043893.db2.gz AZHNSRAJURXSHN-KRWDZBQOSA-N 1 0 407.470 2.151 20 0 HEADRO 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CC[NH+]1CCN(c2ccc(NC(=O)CN3CC(=O)N(C(C)C)C(C)(C)C3)cc2)CC1 ZINC000743859713 1080827454 /nfs/dbraw/zinc/82/74/54/1080827454.db2.gz OEXYTOLCXDZPJT-UHFFFAOYSA-N 1 0 415.582 2.098 20 0 HEADRO C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786809436 1080838091 /nfs/dbraw/zinc/83/80/91/1080838091.db2.gz PLDNTLHPVFREDM-SFHVURJKSA-N 1 0 407.518 2.216 20 0 HEADRO CC[NH+](CC)CCN(C(=O)[C@H](O)Cc1cnn(C)c1)c1cccc(Br)c1 ZINC000786850972 1080851261 /nfs/dbraw/zinc/85/12/61/1080851261.db2.gz DOGORHYWGMCRFN-GOSISDBHSA-N 1 0 423.355 2.461 20 0 HEADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc(N2CCOC2=O)c1 ZINC000768919695 1080857007 /nfs/dbraw/zinc/85/70/07/1080857007.db2.gz UCLTZXLGSYCCJE-CTNGQTDRSA-N 1 0 409.486 2.256 20 0 HEADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc(N2CCOC2=O)c1 ZINC000768919697 1080857097 /nfs/dbraw/zinc/85/70/97/1080857097.db2.gz UCLTZXLGSYCCJE-PZJWPPBQSA-N 1 0 409.486 2.256 20 0 HEADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc(N2CCOC2=O)cc1 ZINC000768920822 1080858985 /nfs/dbraw/zinc/85/89/85/1080858985.db2.gz XVHXDFPZQRHZFE-CTNGQTDRSA-N 1 0 409.486 2.256 20 0 HEADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc(N2CCOC2=O)cc1 ZINC000768920833 1080859130 /nfs/dbraw/zinc/85/91/30/1080859130.db2.gz XVHXDFPZQRHZFE-TZIWHRDSSA-N 1 0 409.486 2.256 20 0 HEADRO CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000786878096 1080866307 /nfs/dbraw/zinc/86/63/07/1080866307.db2.gz GDVNYCSPXFDOIV-FQEVSTJZSA-N 1 0 421.582 2.338 20 0 HEADRO O=C(Nc1cc(N2CCCC2=O)ccc1F)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000768965793 1080868523 /nfs/dbraw/zinc/86/85/23/1080868523.db2.gz DCXBWJNCRDFPDO-RBUKOAKNSA-N 1 0 404.486 2.452 20 0 HEADRO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC001169997786 1080870475 /nfs/dbraw/zinc/87/04/75/1080870475.db2.gz BLXUJFSRJUSUQL-DUXKGJEZSA-N 1 0 401.507 2.029 20 0 HEADRO CN(C)c1cccc(CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000786899311 1080874982 /nfs/dbraw/zinc/87/49/82/1080874982.db2.gz LUBBWWFLHSFVNN-DEOSSOPVSA-N 1 0 408.546 2.397 20 0 HEADRO CN(C)c1cccc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000786899312 1080875007 /nfs/dbraw/zinc/87/50/07/1080875007.db2.gz LUBBWWFLHSFVNN-XMMPIXPASA-N 1 0 408.546 2.397 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000768955652 1080881805 /nfs/dbraw/zinc/88/18/05/1080881805.db2.gz NQPLESPKAUZSJN-QGZVFWFLSA-N 1 0 412.575 2.434 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000768956614 1080882593 /nfs/dbraw/zinc/88/25/93/1080882593.db2.gz OMZMPPSSFUJODU-UKRRQHHQSA-N 1 0 415.353 2.409 20 0 HEADRO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCCc1cnn(-c2ccccc2)c1 ZINC000786887127 1080887171 /nfs/dbraw/zinc/88/71/71/1080887171.db2.gz DSEQMGWKNLUVGB-OAQYLSRUSA-N 1 0 410.518 2.481 20 0 HEADRO Cc1ccc(S(=O)(=O)NCCC(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000769038330 1080891859 /nfs/dbraw/zinc/89/18/59/1080891859.db2.gz YOINGTZGGCLKJY-UHFFFAOYSA-N 1 0 408.495 2.478 20 0 HEADRO CC(C)COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1)C2 ZINC001109414635 1080895394 /nfs/dbraw/zinc/89/53/94/1080895394.db2.gz CTOPOVGKYFICTP-MJCUULBUSA-N 1 0 404.555 2.282 20 0 HEADRO COc1cc(N[C@@H]2CCCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc(OC)c1 ZINC000769098457 1080907476 /nfs/dbraw/zinc/90/74/76/1080907476.db2.gz LUJPPHDFYQWMMO-BLIXFSHQSA-N 1 0 418.538 2.153 20 0 HEADRO O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000769098304 1080907816 /nfs/dbraw/zinc/90/78/16/1080907816.db2.gz KVKJKUJUKWAJPN-OIISXLGYSA-N 1 0 415.456 2.019 20 0 HEADRO O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000769098291 1080908423 /nfs/dbraw/zinc/90/84/23/1080908423.db2.gz KVKJKUJUKWAJPN-DJIMGWMZSA-N 1 0 415.456 2.019 20 0 HEADRO COc1c(C)cnc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1C ZINC000769086361 1080934073 /nfs/dbraw/zinc/93/40/73/1080934073.db2.gz LPSUWTGBHPDNFQ-FPOVZHCZSA-N 1 0 412.534 2.389 20 0 HEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)Cc3ncc(C)s3)CC2)cc1 ZINC000787018352 1080949398 /nfs/dbraw/zinc/94/93/98/1080949398.db2.gz KTZQLMJKZXTZKF-UHFFFAOYSA-N 1 0 417.531 2.280 20 0 HEADRO Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)n2c1 ZINC000769192740 1080966580 /nfs/dbraw/zinc/96/65/80/1080966580.db2.gz ZBIOYSBGEFADHE-KRWDZBQOSA-N 1 0 415.538 2.496 20 0 HEADRO O=C(NC[C@H](O)c1ccccc1C(F)(F)F)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000769157071 1080976339 /nfs/dbraw/zinc/97/63/39/1080976339.db2.gz SUNGAABZRJJMKT-SQNIBIBYSA-N 1 0 415.456 2.416 20 0 HEADRO O=C(NC[C@]1(O)CCCc2ccccc21)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000769160429 1080978298 /nfs/dbraw/zinc/97/82/98/1080978298.db2.gz HSGWWTRLEIYUEA-QZNHQXDQSA-N 1 0 401.551 2.278 20 0 HEADRO O=C(NCc1cccc(N2CCOC2=O)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000769164499 1080982099 /nfs/dbraw/zinc/98/20/99/1080982099.db2.gz AZOGYEVSSYLUIG-PMACEKPBSA-N 1 0 416.522 2.210 20 0 HEADRO CC1(C)CC([N@H+]2C[C@@H](NC(=O)c3ccno3)[C@H]3OCCC[C@H]3C2)CC(C)(C)N1O ZINC001170003075 1081000648 /nfs/dbraw/zinc/00/06/48/1081000648.db2.gz WUHJVIJIYXRQLJ-LESCRADOSA-N 1 0 406.527 2.295 20 0 HEADRO O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787109977 1081004289 /nfs/dbraw/zinc/00/42/89/1081004289.db2.gz SWEJADFPYCLVGR-HLLBOEOZSA-N 1 0 419.488 2.231 20 0 HEADRO Cc1ccc(C2=CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000787110537 1081004320 /nfs/dbraw/zinc/00/43/20/1081004320.db2.gz WDRITLQTGVDMJK-JOCHJYFZSA-N 1 0 411.546 2.370 20 0 HEADRO CC[N@H+](CCO)CCNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000769242746 1081004367 /nfs/dbraw/zinc/00/43/67/1081004367.db2.gz PKMXILLTQWUJEB-UHFFFAOYSA-N 1 0 410.110 2.042 20 0 HEADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2ncsc2c1 ZINC000787111479 1081004716 /nfs/dbraw/zinc/00/47/16/1081004716.db2.gz ZJIDWEUNMDWTSW-RHSMWYFYSA-N 1 0 416.547 2.233 20 0 HEADRO Cc1ccc(C[C@H](C)NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000787112901 1081005909 /nfs/dbraw/zinc/00/59/09/1081005909.db2.gz FWNFLNSDBFRZMI-RXVVDRJESA-N 1 0 401.551 2.110 20 0 HEADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746635768 1081008185 /nfs/dbraw/zinc/00/81/85/1081008185.db2.gz JWVKQNZJGSGTCD-QGZVFWFLSA-N 1 0 415.925 2.493 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000787120721 1081008698 /nfs/dbraw/zinc/00/86/98/1081008698.db2.gz BXVFEESXIGACFA-WTKPUWKFSA-N 1 0 411.546 2.450 20 0 HEADRO O=C(CC[N@H+]1CC[C@H](c2c(F)cccc2F)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000769228719 1081009373 /nfs/dbraw/zinc/00/93/73/1081009373.db2.gz PISMUYXTHYYFML-AWEZNQCLSA-N 1 0 420.460 2.430 20 0 HEADRO CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787122501 1081009878 /nfs/dbraw/zinc/00/98/78/1081009878.db2.gz INAYUELNTJEVMB-HKUYNNGSSA-N 1 0 417.550 2.411 20 0 HEADRO CC(C)N(Cc1ccccc1F)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787101836 1081013265 /nfs/dbraw/zinc/01/32/65/1081013265.db2.gz FOODNPCSBHNQPV-LJQANCHMSA-N 1 0 405.514 2.322 20 0 HEADRO Cc1ccc(C[C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000787102954 1081014504 /nfs/dbraw/zinc/01/45/04/1081014504.db2.gz HLTDTEQORDTXPR-FGZHOGPDSA-N 1 0 413.562 2.288 20 0 HEADRO CCn1c(=S)n(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)nc1-c1cnccn1 ZINC000746637710 1081014766 /nfs/dbraw/zinc/01/47/66/1081014766.db2.gz KRABTWVLRHCBMN-DJIMGWMZSA-N 1 0 403.556 2.032 20 0 HEADRO CN(Cc1nc2ccccc2s1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787106805 1081017253 /nfs/dbraw/zinc/01/72/53/1081017253.db2.gz NXYMKNPNEWEIEX-MRXNPFEDSA-N 1 0 416.547 2.014 20 0 HEADRO CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787106509 1081017650 /nfs/dbraw/zinc/01/76/50/1081017650.db2.gz KDTWANHYZORAQW-AZUAARDMSA-N 1 0 417.550 2.412 20 0 HEADRO CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000769255063 1081017822 /nfs/dbraw/zinc/01/78/22/1081017822.db2.gz SFOBZCASHVIPMB-UHFFFAOYSA-N 1 0 412.534 2.447 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769265595 1081021414 /nfs/dbraw/zinc/02/14/14/1081021414.db2.gz CAEGBUMTXILDJG-MRXNPFEDSA-N 1 0 418.538 2.293 20 0 HEADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000769266669 1081021997 /nfs/dbraw/zinc/02/19/97/1081021997.db2.gz GFOANTGPOSZRIR-HXUWFJFHSA-N 1 0 420.517 2.479 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000769306418 1081038104 /nfs/dbraw/zinc/03/81/04/1081038104.db2.gz GRPNAIXRMJPSRM-PMPSAXMXSA-N 1 0 421.460 2.034 20 0 HEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000769308527 1081038499 /nfs/dbraw/zinc/03/84/99/1081038499.db2.gz WYANWIKELBUOOX-ROUUACIJSA-N 1 0 414.955 2.241 20 0 HEADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000787177916 1081046030 /nfs/dbraw/zinc/04/60/30/1081046030.db2.gz ORTYHNBYLYMULL-LJQANCHMSA-N 1 0 415.921 2.180 20 0 HEADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)N1CCC2(CC1)OCCO2 ZINC000787156252 1081048684 /nfs/dbraw/zinc/04/86/84/1081048684.db2.gz GMNMXXLKDRUZCW-SFHVURJKSA-N 1 0 415.534 2.043 20 0 HEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769372302 1081055902 /nfs/dbraw/zinc/05/59/02/1081055902.db2.gz UWGYFKOULQPXCA-JKSUJKDBSA-N 1 0 411.493 2.482 20 0 HEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769372299 1081056187 /nfs/dbraw/zinc/05/61/87/1081056187.db2.gz UWGYFKOULQPXCA-CVEARBPZSA-N 1 0 411.493 2.482 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000787193267 1081057423 /nfs/dbraw/zinc/05/74/23/1081057423.db2.gz QDWNJGNBFPOZCN-QGZVFWFLSA-N 1 0 422.570 2.025 20 0 HEADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000787203841 1081060560 /nfs/dbraw/zinc/06/05/60/1081060560.db2.gz VKKOPIOMYJOGNY-OAQYLSRUSA-N 1 0 401.551 2.400 20 0 HEADRO COCCOC[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000744417061 1081062479 /nfs/dbraw/zinc/06/24/79/1081062479.db2.gz LKIHHFFMWKQIED-AWEZNQCLSA-N 1 0 409.552 2.039 20 0 HEADRO CC(C)(NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCOCC1 ZINC000787210782 1081063844 /nfs/dbraw/zinc/06/38/44/1081063844.db2.gz YUDYNTQSDRLAAD-LJQANCHMSA-N 1 0 416.566 2.388 20 0 HEADRO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769423228 1081068284 /nfs/dbraw/zinc/06/82/84/1081068284.db2.gz FIRRWXVBUGZQSZ-YJBOKZPZSA-N 1 0 407.559 2.300 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000787225097 1081078201 /nfs/dbraw/zinc/07/82/01/1081078201.db2.gz AVNMPJMRABXPKM-IRXDYDNUSA-N 1 0 410.559 2.281 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)[C@@H](C)C1 ZINC000769481866 1081078585 /nfs/dbraw/zinc/07/85/85/1081078585.db2.gz AFGIAAPWAVUUKM-LXZKKBNFSA-N 1 0 402.992 2.367 20 0 HEADRO C[C@@H]1CN(CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000787227735 1081078780 /nfs/dbraw/zinc/07/87/80/1081078780.db2.gz MSXMBZTWNSPMBW-OXFYSEKESA-N 1 0 424.511 2.335 20 0 HEADRO COc1cc(CNC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1OC(C)C ZINC000787231445 1081080098 /nfs/dbraw/zinc/08/00/98/1081080098.db2.gz HSUXMUJBHRNFIM-KRWDZBQOSA-N 1 0 405.539 2.479 20 0 HEADRO CNC(=O)COc1cccc(C[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000769489220 1081080523 /nfs/dbraw/zinc/08/05/23/1081080523.db2.gz JHEZWJVKFLNQBC-SJLPKXTDSA-N 1 0 421.538 2.316 20 0 HEADRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC000787233348 1081081678 /nfs/dbraw/zinc/08/16/78/1081081678.db2.gz CILIGZKCOQYKKJ-CMPLNLGQSA-N 1 0 423.357 2.378 20 0 HEADRO COc1cc(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)ccc1OC(C)C ZINC000787233393 1081081934 /nfs/dbraw/zinc/08/19/34/1081081934.db2.gz JMIJIGVBNMXAHX-UHFFFAOYSA-N 1 0 403.523 2.185 20 0 HEADRO COc1cc(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)ccc1OC(C)C ZINC000787237110 1081084974 /nfs/dbraw/zinc/08/49/74/1081084974.db2.gz JJNQBVFZFBEBMR-UHFFFAOYSA-N 1 0 403.523 2.089 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1OC(C)C ZINC000787239392 1081085783 /nfs/dbraw/zinc/08/57/83/1081085783.db2.gz KQQATJDFQFCISD-UHFFFAOYSA-N 1 0 403.523 2.089 20 0 HEADRO C[N@@H+](Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C[C@@H](O)CN1CCOCC1 ZINC000769468940 1081089708 /nfs/dbraw/zinc/08/97/08/1081089708.db2.gz QKSCIXGZTXPRHY-LJQANCHMSA-N 1 0 405.539 2.109 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000769475246 1081091789 /nfs/dbraw/zinc/09/17/89/1081091789.db2.gz JKXHXBLKLRBWNG-MAUKXSAKSA-N 1 0 411.493 2.434 20 0 HEADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCc3nc(C)ncc32)c1 ZINC000787287210 1081092881 /nfs/dbraw/zinc/09/28/81/1081092881.db2.gz AQBPABXTJYRSET-OAQYLSRUSA-N 1 0 409.534 2.437 20 0 HEADRO CCOC(=O)C1=C(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)NC(=O)N[C@H]1C ZINC000746668172 1081104224 /nfs/dbraw/zinc/10/42/24/1081104224.db2.gz NBVABZZFUYPZQL-WMZOPIPTSA-N 1 0 400.523 2.101 20 0 HEADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000769598670 1081116607 /nfs/dbraw/zinc/11/66/07/1081116607.db2.gz WTVZLYBFAHBKEI-IBGZPJMESA-N 1 0 400.504 2.259 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(=O)[nH]c1=O ZINC000769630340 1081147023 /nfs/dbraw/zinc/14/70/23/1081147023.db2.gz ICCVJVSMXPYGCG-CVEARBPZSA-N 1 0 414.572 2.070 20 0 HEADRO COc1cccc(COC[C@H](O)C[NH+]2CCC(OC)(c3nc(C4CC4)no3)CC2)c1 ZINC000225838912 568782888 /nfs/dbraw/zinc/78/28/88/568782888.db2.gz JONXSBJFGDJMRT-GOSISDBHSA-N 1 0 417.506 2.471 20 0 HEADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000057819997 568861802 /nfs/dbraw/zinc/86/18/02/568861802.db2.gz TXNQRZRBOBYHFB-XLIONFOSSA-N 1 0 410.584 2.083 20 0 HEADRO O=C1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)CC2(CC[NH2+]CC2)N1 ZINC001164394127 718809638 /nfs/dbraw/zinc/80/96/38/718809638.db2.gz YHSSRPDVMKKKNL-UHFFFAOYSA-N 1 0 407.852 2.400 20 0 HEADRO C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164398075 718836654 /nfs/dbraw/zinc/83/66/54/718836654.db2.gz AKKRAGGFUVBNJZ-HNNXBMFYSA-N 1 0 423.037 2.491 20 0 HEADRO C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164405063 718839532 /nfs/dbraw/zinc/83/95/32/718839532.db2.gz ORRPDFBARVRFPK-MRXNPFEDSA-N 1 0 412.607 2.260 20 0 HEADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164408769 718851539 /nfs/dbraw/zinc/85/15/39/718851539.db2.gz SYUQFKLBTZCGIQ-BJOHPYRUSA-N 1 0 405.232 2.379 20 0 HEADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)n1 ZINC001164401772 718854078 /nfs/dbraw/zinc/85/40/78/718854078.db2.gz CXWSLQNYJOECHR-KSFYIVLOSA-N 1 0 409.559 2.438 20 0 HEADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001164401774 718854210 /nfs/dbraw/zinc/85/42/10/718854210.db2.gz CXWSLQNYJOECHR-ZHRRBRCNSA-N 1 0 409.559 2.438 20 0 HEADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)c(Cl)nn2)c1 ZINC001164401571 718854870 /nfs/dbraw/zinc/85/48/70/718854870.db2.gz BSEFWBHYYPHCHF-UGSOOPFHSA-N 1 0 410.852 2.369 20 0 HEADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001164419949 718892723 /nfs/dbraw/zinc/89/27/23/718892723.db2.gz SKHOPOYOZAFZKY-CQSZACIVSA-N 1 0 408.902 2.286 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164434727 718967788 /nfs/dbraw/zinc/96/77/88/718967788.db2.gz VFSVEDFXSGNJFJ-OLZOCXBDSA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164615238 719013722 /nfs/dbraw/zinc/01/37/22/719013722.db2.gz HQASYEVHNAXMND-BVSLBCMMSA-N 1 0 406.530 2.370 20 0 HEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164620718 719018047 /nfs/dbraw/zinc/01/80/47/719018047.db2.gz ZKLGWTLBNDOASK-FPMFFAJLSA-N 1 0 423.851 2.467 20 0 HEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164620725 719018542 /nfs/dbraw/zinc/01/85/42/719018542.db2.gz ZKLGWTLBNDOASK-KWCYVHTRSA-N 1 0 423.851 2.467 20 0 HEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164614851 719018710 /nfs/dbraw/zinc/01/87/10/719018710.db2.gz GQJYQLMWUVNHBJ-WCFLWFBJSA-N 1 0 418.828 2.102 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(OC)c(C(=O)OC)cn3)CC2)CC1 ZINC001164614547 719022954 /nfs/dbraw/zinc/02/29/54/719022954.db2.gz URDJQGUJRVGCCM-UHFFFAOYSA-N 1 0 405.495 2.121 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3CN(C)CC4)CC2)CC1 ZINC001164618600 719034475 /nfs/dbraw/zinc/03/44/75/719034475.db2.gz VJASWVHFPQJOPC-UHFFFAOYSA-N 1 0 421.973 2.362 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164621638 719096089 /nfs/dbraw/zinc/09/60/89/719096089.db2.gz ALQYJRBIYQUPQM-AZUAARDMSA-N 1 0 400.548 2.433 20 0 HEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccccc2OC)nnc1Cl ZINC001164630597 719138349 /nfs/dbraw/zinc/13/83/49/719138349.db2.gz JOWANNMZTSXNSP-CQSZACIVSA-N 1 0 412.824 2.302 20 0 HEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccc(OC)cc2)nnc1Cl ZINC001164629766 719138451 /nfs/dbraw/zinc/13/84/51/719138451.db2.gz DPWPBTXFZPUAIU-HNNXBMFYSA-N 1 0 412.824 2.302 20 0 HEADRO COC(=O)c1cc2c(OC)[nH]c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)cc-2n1 ZINC001164681546 719619661 /nfs/dbraw/zinc/61/96/61/719619661.db2.gz HSMGVQOEIXKVRC-UHFFFAOYSA-N 1 0 412.494 2.030 20 0 HEADRO Cc1cc(NC(=O)c2cccnc2-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)no1 ZINC001164679781 719636403 /nfs/dbraw/zinc/63/64/03/719636403.db2.gz MWSBSHKDJCDESP-UHFFFAOYSA-N 1 0 409.494 2.302 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164686517 719734210 /nfs/dbraw/zinc/73/42/10/719734210.db2.gz OXMKUHOYXSWYDL-UHFFFAOYSA-N 1 0 424.883 2.404 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164689319 719747542 /nfs/dbraw/zinc/74/75/42/719747542.db2.gz ASVVTEQJKZLXBX-UHFFFAOYSA-N 1 0 406.534 2.208 20 0 HEADRO Fc1cccnc1N(c1ccc(CN2CCOCC2)cn1)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690549 719757986 /nfs/dbraw/zinc/75/79/86/719757986.db2.gz DPFWDXHZXGFPER-XMSQKQJNSA-N 1 0 413.497 2.107 20 0 HEADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164807872 720071576 /nfs/dbraw/zinc/07/15/76/720071576.db2.gz GFWVFUDQKQVIGS-MGPUTAFESA-N 1 0 408.930 2.491 20 0 HEADRO O=C(CO[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ccc(C[NH+]2CCCC2)cn1)N1CCCC1 ZINC001164711444 720085552 /nfs/dbraw/zinc/08/55/52/720085552.db2.gz MYOATRQNBCFTEI-MZKRTTBSSA-N 1 0 414.550 2.053 20 0 HEADRO C[N@H+](Cc1ccc(N2CCO[C@@H]3[C@@H](OCC(=O)N4CCCC4)CC[C@@H]32)nc1)C1CC1 ZINC001164709409 720086128 /nfs/dbraw/zinc/08/61/28/720086128.db2.gz DRVAYMWECLBGSK-JTAQYXEDSA-N 1 0 414.550 2.051 20 0 HEADRO O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncccc1C[NH+]1CCCC1)N1CCCC1 ZINC001164710918 720087021 /nfs/dbraw/zinc/08/70/21/720087021.db2.gz KIQOYJAJBSJADY-SJBKTWHCSA-N 1 0 414.550 2.053 20 0 HEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c1C(=O)NC3)CC2 ZINC001164718644 720118857 /nfs/dbraw/zinc/11/88/57/720118857.db2.gz UFNIDYHWZSCPKP-LJQANCHMSA-N 1 0 407.518 2.228 20 0 HEADRO Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc2ccccc12 ZINC001164718773 720178432 /nfs/dbraw/zinc/17/84/32/720178432.db2.gz QXUXSMRFCJDDEJ-HXUWFJFHSA-N 1 0 407.522 2.283 20 0 HEADRO Cn1nnc2c1CCN([C@@H](F)Oc1cccc(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164720164 720181629 /nfs/dbraw/zinc/18/16/29/720181629.db2.gz ZRXXVAVCNYVOAS-HNAYVOBHSA-N 1 0 424.908 2.207 20 0 HEADRO Cn1nnc2c1CCN([C@H](F)Oc1cccc(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720162 720182090 /nfs/dbraw/zinc/18/20/90/720182090.db2.gz ZRXXVAVCNYVOAS-BEFAXECRSA-N 1 0 424.908 2.207 20 0 HEADRO CSc1cnc(Cl)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718742 720184382 /nfs/dbraw/zinc/18/43/82/720184382.db2.gz PYRSMVUVAKJJQH-AWEZNQCLSA-N 1 0 423.974 2.197 20 0 HEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCSCC3)ncn1)C2 ZINC001164819057 720187481 /nfs/dbraw/zinc/18/74/81/720187481.db2.gz VUVSNOBQPCEBHD-RXVVDRJESA-N 1 0 403.596 2.215 20 0 HEADRO CC(C)n1ccc2c1ncnc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164713397 720193769 /nfs/dbraw/zinc/19/37/69/720193769.db2.gz BQFNGWUKLUVYQF-LJQANCHMSA-N 1 0 424.553 2.357 20 0 HEADRO Cc1cc2ccncc2nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718119 720201374 /nfs/dbraw/zinc/20/13/74/720201374.db2.gz XCVBOTWUVJNLJJ-FQEVSTJZSA-N 1 0 407.522 2.283 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)ncn1)CCC2 ZINC001164811432 720208328 /nfs/dbraw/zinc/20/83/28/720208328.db2.gz HKQFJMXCWNLTCT-UHFFFAOYSA-N 1 0 412.872 2.482 20 0 HEADRO COC(=O)c1ccc(Cl)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164811938 720225205 /nfs/dbraw/zinc/22/52/05/720225205.db2.gz BCBUGWIVWBIVCB-UHFFFAOYSA-N 1 0 419.913 2.329 20 0 HEADRO CCOCc1cnc(Cl)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812010 720231817 /nfs/dbraw/zinc/23/18/17/720231817.db2.gz AIOYAXPRCVWIRC-UHFFFAOYSA-N 1 0 420.945 2.474 20 0 HEADRO Cc1cc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C(N)=O ZINC001164821284 720292737 /nfs/dbraw/zinc/29/27/37/720292737.db2.gz JTZWZKFPQZCLKY-CVEARBPZSA-N 1 0 419.957 2.054 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2COC3)CC1 ZINC001164826778 720308028 /nfs/dbraw/zinc/30/80/28/720308028.db2.gz WKWPEFRGMDQPID-SJORKVTESA-N 1 0 405.930 2.072 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc3c2C(=O)OC3(C)C)CC1 ZINC001164821580 720313405 /nfs/dbraw/zinc/31/34/05/720313405.db2.gz KWQQRNIAWHOAGC-ZWKOTPCHSA-N 1 0 412.534 2.399 20 0 HEADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829649 720316609 /nfs/dbraw/zinc/31/66/09/720316609.db2.gz MYUQTMHIEJQFAT-MOPGFXCFSA-N 1 0 414.550 2.397 20 0 HEADRO COc1c(Cl)nc(C)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827223 720318411 /nfs/dbraw/zinc/31/84/11/720318411.db2.gz HGGJIRKVXYLVPV-JKSUJKDBSA-N 1 0 407.946 2.359 20 0 HEADRO CCOC(=O)Cc1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164830896 720319636 /nfs/dbraw/zinc/31/96/36/720319636.db2.gz QKJHEKNELFBRAY-UXHICEINSA-N 1 0 414.550 2.099 20 0 HEADRO CCOC(=O)c1c(C)ccnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831972 720330052 /nfs/dbraw/zinc/33/00/52/720330052.db2.gz SNEJVTDHDYIWHF-OALUTQOASA-N 1 0 414.550 2.478 20 0 HEADRO CCCNC(=O)c1cccnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829628 720338527 /nfs/dbraw/zinc/33/85/27/720338527.db2.gz SZCYDYIGXZOWFT-UXHICEINSA-N 1 0 413.566 2.133 20 0 HEADRO CCCNC(=O)c1cccnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829627 720338635 /nfs/dbraw/zinc/33/86/35/720338635.db2.gz SZCYDYIGXZOWFT-PMACEKPBSA-N 1 0 413.566 2.133 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2ncn3C2CC2)CC1 ZINC001164831239 720340723 /nfs/dbraw/zinc/34/07/23/720340723.db2.gz YJXVWOONANNQFM-MSOLQXFVSA-N 1 0 409.538 2.073 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3[C@@H](F)Oc2ccc(Cl)nn2)CC1 ZINC001164827829 720355026 /nfs/dbraw/zinc/35/50/26/720355026.db2.gz MSIWOIRKENTNBG-SPYBWZPUSA-N 1 0 411.909 2.169 20 0 HEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721715 720388739 /nfs/dbraw/zinc/38/87/39/720388739.db2.gz AOVFWCXMQQNQGE-SJORKVTESA-N 1 0 401.898 2.484 20 0 HEADRO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]21 ZINC001164828170 720420903 /nfs/dbraw/zinc/42/09/03/720420903.db2.gz WPBXOONEHDXBNH-AQNXPRMDSA-N 1 0 416.566 2.170 20 0 HEADRO CC(C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164733825 720438689 /nfs/dbraw/zinc/43/86/89/720438689.db2.gz QEXAATVDTLUMIP-RBUKOAKNSA-N 1 0 401.536 2.017 20 0 HEADRO O=S(=O)(c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1)N1CCCC1 ZINC001164730186 720459310 /nfs/dbraw/zinc/45/93/10/720459310.db2.gz IIFIOPGXNPTWMQ-UXHICEINSA-N 1 0 413.547 2.114 20 0 HEADRO COC(=O)c1cc2c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)[nH]c(Cl)cc-2n1 ZINC001164734221 720520355 /nfs/dbraw/zinc/52/03/55/720520355.db2.gz OJROICPFGHKKHB-GFCCVEGCSA-N 1 0 402.886 2.397 20 0 HEADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ccc3C(N)=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835482 720547657 /nfs/dbraw/zinc/54/76/57/720547657.db2.gz HMFVHTJEYAJBBP-HLLBOEOZSA-N 1 0 402.930 2.408 20 0 HEADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3[C@H](C)CC(=O)N4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839658 720549586 /nfs/dbraw/zinc/54/95/86/720549586.db2.gz RHARRDSSQLLKOG-VSZNYVQBSA-N 1 0 409.538 2.497 20 0 HEADRO CCOC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164747570 720606985 /nfs/dbraw/zinc/60/69/85/720606985.db2.gz ZTBLBXLCJRINKW-ZIAGYGMSSA-N 1 0 403.870 2.044 20 0 HEADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740126 720662801 /nfs/dbraw/zinc/66/28/01/720662801.db2.gz QGYPNHXXZZDZPE-CHWSQXEVSA-N 1 0 402.886 2.027 20 0 HEADRO 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CCOC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164894691 721380784 /nfs/dbraw/zinc/38/07/84/721380784.db2.gz ZZMYUXJLLCBHTK-XXBNENTESA-N 1 0 416.566 2.332 20 0 HEADRO CCOC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164894092 721382805 /nfs/dbraw/zinc/38/28/05/721382805.db2.gz XPLOMONWHQOOEB-SIKLNZKXSA-N 1 0 402.539 2.024 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cn4)C3)O2)CC1 ZINC001164884438 721387709 /nfs/dbraw/zinc/38/77/09/721387709.db2.gz ASYZHHMGSQQFSN-YJBOKZPZSA-N 1 0 415.916 2.440 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ncccc54)C3)O2)CC1 ZINC001164891911 721390670 /nfs/dbraw/zinc/39/06/70/721390670.db2.gz RNIDVYWYYWPAGM-KKSFZXQISA-N 1 0 416.957 2.444 20 0 HEADRO C=C(OCC)c1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164884507 721411981 /nfs/dbraw/zinc/41/19/81/721411981.db2.gz DNTQXTZUKNPRPJ-KNQAVFIVSA-N 1 0 401.555 2.249 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnnc(Cl)c4)C3)O2)CC1 ZINC001164891044 721412328 /nfs/dbraw/zinc/41/23/28/721412328.db2.gz VAVZTXYAZOTBIA-WMZOPIPTSA-N 1 0 415.916 2.440 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccncc5)ncn4)C3)O2)CC1 ZINC001164888699 721438092 /nfs/dbraw/zinc/43/80/92/721438092.db2.gz AMYHEUIOORXULK-NZQKXSOJSA-N 1 0 408.550 2.304 20 0 HEADRO CC(C)COc1cncc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164897406 721438121 /nfs/dbraw/zinc/43/81/21/721438121.db2.gz TXKDOTUOVJZTNX-SIKLNZKXSA-N 1 0 403.571 2.277 20 0 HEADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3[nH]c(C)nc3n1)CC2 ZINC001164784658 721463665 /nfs/dbraw/zinc/46/36/65/721463665.db2.gz JGHZEWMALBCVSR-SFHVURJKSA-N 1 0 414.554 2.347 20 0 HEADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(COC)nn1)CC2 ZINC001164791324 721471628 /nfs/dbraw/zinc/47/16/28/721471628.db2.gz XAYJTMWUAJIBSF-FQEVSTJZSA-N 1 0 404.555 2.357 20 0 HEADRO C[NH+](C)Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)c1 ZINC001164898257 721495679 /nfs/dbraw/zinc/49/56/79/721495679.db2.gz GFXQJZPPCIAENG-GUDVDZBRSA-N 1 0 424.578 2.365 20 0 HEADRO COC(=O)c1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902079 721512671 /nfs/dbraw/zinc/51/26/71/721512671.db2.gz YYYJAFVAPOQEGO-ZFWWWQNUSA-N 1 0 406.845 2.398 20 0 HEADRO COC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1OC ZINC001164899178 721517324 /nfs/dbraw/zinc/51/73/24/721517324.db2.gz KQZKRJJVTYGNMD-RDJZCZTQSA-N 1 0 401.438 2.358 20 0 HEADRO Cc1nc(-c2ccncc2)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1C ZINC001164794559 721520867 /nfs/dbraw/zinc/52/08/67/721520867.db2.gz FVXCBCWNHALDRY-UHFFFAOYSA-N 1 0 418.549 2.120 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cl)c(C(N)=O)n2)[C@@H]2CCCO[C@@H]21 ZINC001164800606 721532666 /nfs/dbraw/zinc/53/26/66/721532666.db2.gz CPEXQPGBKBTERI-MDZRGWNJSA-N 1 0 401.898 2.097 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cl)c(C(N)=O)n2)[C@H]2CCCO[C@@H]12 ZINC001164800602 721532959 /nfs/dbraw/zinc/53/29/59/721532959.db2.gz CPEXQPGBKBTERI-FRQCXROJSA-N 1 0 401.898 2.097 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cl)c(C(N)=O)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800604 721533370 /nfs/dbraw/zinc/53/33/70/721533370.db2.gz CPEXQPGBKBTERI-GPMSIDNRSA-N 1 0 401.898 2.097 20 0 HEADRO COC(=O)c1nc2cnccc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905217 721540902 /nfs/dbraw/zinc/54/09/02/721540902.db2.gz GUUVAMCUHSJBHO-NVXWUHKLSA-N 1 0 423.448 2.292 20 0 HEADRO CCOC(=O)Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164909169 721545769 /nfs/dbraw/zinc/54/57/69/721545769.db2.gz QUWDCKJLERGSQU-MJGOQNOKSA-N 1 0 400.454 2.063 20 0 HEADRO CN1CCOc2c(Cl)nnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164903080 721549784 /nfs/dbraw/zinc/54/97/84/721549784.db2.gz CBVDVDOURHTXQM-ZBFHGGJFSA-N 1 0 419.888 2.440 20 0 HEADRO Cn1c(=O)ccc2ccc(N3C[C@@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc21 ZINC001164803977 721556805 /nfs/dbraw/zinc/55/68/05/721556805.db2.gz KKFFWLRTTLNLKE-KNKQGSTJSA-N 1 0 405.502 2.197 20 0 HEADRO CON(C)C(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164910335 721560131 /nfs/dbraw/zinc/56/01/31/721560131.db2.gz WHOQJAOQRMDUEY-HKUYNNGSSA-N 1 0 400.454 2.196 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cnccn3)[C@@H]3COC[C@H]32)nc1 ZINC001164805008 721599154 /nfs/dbraw/zinc/59/91/54/721599154.db2.gz ZKBWUILRZSEJEF-MJUUVYJYSA-N 1 0 422.533 2.052 20 0 HEADRO CC(C)N(C)Cc1nnc2n1CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001165008336 721711532 /nfs/dbraw/zinc/71/15/32/721711532.db2.gz FFSBKWXIMKEILA-UHFFFAOYSA-N 1 0 413.570 2.398 20 0 HEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c2COC3(C)C)CC1 ZINC001165011947 721733829 /nfs/dbraw/zinc/73/38/29/721733829.db2.gz YRDIMYMNZCAPMS-UHFFFAOYSA-N 1 0 407.946 2.418 20 0 HEADRO C[C@H]1CCCN(c2cc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)ncn2)C1 ZINC001165012308 721747738 /nfs/dbraw/zinc/74/77/38/721747738.db2.gz FXFJDEKRJYGNEI-SFHVURJKSA-N 1 0 400.571 2.236 20 0 HEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3C(N)=O)C[C@@H]21 ZINC001165022105 721805630 /nfs/dbraw/zinc/80/56/30/721805630.db2.gz HYLVGGKYOXGFNR-RRQGHBQHSA-N 1 0 400.914 2.361 20 0 HEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)nc(N(C)C)n2)CC1 ZINC001165021265 721842065 /nfs/dbraw/zinc/84/20/65/721842065.db2.gz JZFZKMYNTNZCJM-UHFFFAOYSA-N 1 0 400.527 2.364 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1 ZINC001164925608 721862857 /nfs/dbraw/zinc/86/28/57/721862857.db2.gz OOSOOEHBTUQTEX-BZUAXINKSA-N 1 0 419.961 2.393 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc(C(=O)Nc2nncs2)cc1Cl ZINC001164931453 721882186 /nfs/dbraw/zinc/88/21/86/721882186.db2.gz FIWQMMQFNCHYHO-GJZGRUSLSA-N 1 0 421.958 2.053 20 0 HEADRO COCCOc1cc2ncnc(N3CCC[C@H]([NH+](C)C)C3)c2cc1OCCOC ZINC001165037452 721887291 /nfs/dbraw/zinc/88/72/91/721887291.db2.gz YBDMLVWKAWPYOC-INIZCTEOSA-N 1 0 404.511 2.211 20 0 HEADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001165039266 721908907 /nfs/dbraw/zinc/90/89/07/721908907.db2.gz QNJHMXVJHSOVKV-HUUCEWRRSA-N 1 0 406.918 2.480 20 0 HEADRO O=C(CO[C@H]1CO[C@]2(CCN(c3ncccc3C[NH+]3CCCC3)C2)C1)N1CCCC1 ZINC001164937910 721919361 /nfs/dbraw/zinc/91/93/61/721919361.db2.gz HIZGNHLCSLKCIR-NFBKMPQASA-N 1 0 414.550 2.054 20 0 HEADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[NH+](CCc3ccccn3)CC2)[nH]1 ZINC001165056608 722014460 /nfs/dbraw/zinc/01/44/60/722014460.db2.gz YGQKKJZAXHHCTN-UHFFFAOYSA-N 1 0 400.870 2.158 20 0 HEADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]21 ZINC001164985768 722097812 /nfs/dbraw/zinc/09/78/12/722097812.db2.gz WOBIOEDWPUQKGQ-TXTKFYIRSA-N 1 0 420.561 2.379 20 0 HEADRO COC(=O)c1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983419 722101761 /nfs/dbraw/zinc/10/17/61/722101761.db2.gz QAPRQTFUPZRUOC-NVXWUHKLSA-N 1 0 417.897 2.039 20 0 HEADRO COC(=O)c1c[nH]c2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164979753 722109008 /nfs/dbraw/zinc/10/90/08/722109008.db2.gz PSDFNQPBGDYXFG-PXNSSMCTSA-N 1 0 421.501 2.472 20 0 HEADRO Cc1cn(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cn1 ZINC001164978946 722131437 /nfs/dbraw/zinc/13/14/37/722131437.db2.gz LEBDZPNSKSFLRG-PMACEKPBSA-N 1 0 405.506 2.093 20 0 HEADRO S=c1nc2[nH]cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c-2s1 ZINC001164980295 722137189 /nfs/dbraw/zinc/13/71/89/722137189.db2.gz MPAGWUNUMDWBPA-LSDHHAIUSA-N 1 0 414.560 2.497 20 0 HEADRO CCCNC(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972821 722140623 /nfs/dbraw/zinc/14/06/23/722140623.db2.gz ATVHWMGRCNJMEU-CTNGQTDRSA-N 1 0 409.534 2.344 20 0 HEADRO CCOC(=O)Cc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164977106 722156066 /nfs/dbraw/zinc/15/60/66/722156066.db2.gz XAUDCWISJGBWJT-NHCUHLMSSA-N 1 0 410.518 2.310 20 0 HEADRO C[NH+](C)Cc1ccnc(N2CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)c1 ZINC001164989136 722187271 /nfs/dbraw/zinc/18/72/71/722187271.db2.gz HXJJWSYDFPKTEY-IFMALSPDSA-N 1 0 414.575 2.325 20 0 HEADRO COC(=O)c1c(Cl)ccnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165000505 722251085 /nfs/dbraw/zinc/25/10/85/722251085.db2.gz QMAFCTIBDDBOAE-UHFFFAOYSA-N 1 0 407.902 2.207 20 0 HEADRO COC(=O)c1ccc2c(c1)ncnc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165000909 722251118 /nfs/dbraw/zinc/25/11/18/722251118.db2.gz WQBOSRAJSNJAKT-UHFFFAOYSA-N 1 0 424.505 2.101 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc(Cl)nn1)CCC2 ZINC001165000186 722251574 /nfs/dbraw/zinc/25/15/74/722251574.db2.gz LHYWRCWWJLXAHG-UHFFFAOYSA-N 1 0 400.861 2.360 20 0 HEADRO CCc1ccc(N2CCN(C(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000745435726 1078477786 /nfs/dbraw/zinc/47/77/86/1078477786.db2.gz WPFXYTACUXXFSI-JOCHJYFZSA-N 1 0 401.599 2.353 20 0 HEADRO C[NH+](C)C[C@H](O)CN[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000769686489 1078481083 /nfs/dbraw/zinc/48/10/83/1078481083.db2.gz IWUZZLQJYCFUCL-RADWXHQJSA-N 1 0 405.539 2.402 20 0 HEADRO CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000769650023 1078485066 /nfs/dbraw/zinc/48/50/66/1078485066.db2.gz CHZVRQWKGVADCZ-KSZLIROESA-N 1 0 410.559 2.063 20 0 HEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000769650785 1078486195 /nfs/dbraw/zinc/48/61/95/1078486195.db2.gz SDMIVJFSJBBZBH-OKZBNKHCSA-N 1 0 412.575 2.432 20 0 HEADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000745456081 1078490938 /nfs/dbraw/zinc/49/09/38/1078490938.db2.gz PRZYRJVNYKKOGM-MXDDHBLUSA-N 1 0 415.519 2.240 20 0 HEADRO CCOC(=O)CN(C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000745455839 1078491003 /nfs/dbraw/zinc/49/10/03/1078491003.db2.gz UPNIWRAPGDLHMM-UHFFFAOYSA-N 1 0 424.545 2.442 20 0 HEADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000769659596 1078498518 /nfs/dbraw/zinc/49/85/18/1078498518.db2.gz HPYJKCIMOZEWJP-HNNXBMFYSA-N 1 0 404.536 2.422 20 0 HEADRO O=C([O-])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000769751599 1078539674 /nfs/dbraw/zinc/53/96/74/1078539674.db2.gz LQGUFGWXWGAIEH-HXUWFJFHSA-N 1 0 422.529 2.354 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1F ZINC000769758827 1078543483 /nfs/dbraw/zinc/54/34/83/1078543483.db2.gz WKECPFKJIPYAPP-AEFFLSMTSA-N 1 0 411.543 2.413 20 0 HEADRO CC(C)(C)OC(=O)N1CC(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1 ZINC000769771969 1078549206 /nfs/dbraw/zinc/54/92/06/1078549206.db2.gz JKISPBCPQGVKHS-UHFFFAOYSA-N 1 0 408.587 2.310 20 0 HEADRO Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000745594802 1078557528 /nfs/dbraw/zinc/55/75/28/1078557528.db2.gz XTTZCDMAKIVYPX-HXUWFJFHSA-N 1 0 415.534 2.018 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(O)(c3ccccc3Cl)CC2)C1 ZINC000769816736 1078559741 /nfs/dbraw/zinc/55/97/41/1078559741.db2.gz UQISINDSYVOJQY-GOSISDBHSA-N 1 0 423.985 2.096 20 0 HEADRO C[C@H](CNC(=O)NCCc1ccc(N2CCCCC2)cc1)C[NH+]1CCN(C)CC1 ZINC000745611087 1078566793 /nfs/dbraw/zinc/56/67/93/1078566793.db2.gz VRYHVQQXCBDTTD-HXUWFJFHSA-N 1 0 401.599 2.402 20 0 HEADRO CCOC(=O)c1cnn2c1nccc2C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000769807616 1078571295 /nfs/dbraw/zinc/57/12/95/1078571295.db2.gz FIVHSEVSILYUNR-UHFFFAOYSA-N 1 0 411.462 2.123 20 0 HEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 ZINC000769842954 1078603443 /nfs/dbraw/zinc/60/34/43/1078603443.db2.gz SVPJPJBONRLIFA-OAHLLOKOSA-N 1 0 406.527 2.495 20 0 HEADRO O=C(NCc1cccc(N2CCOC2=O)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745731370 1078618360 /nfs/dbraw/zinc/61/83/60/1078618360.db2.gz YTCAOFXNNOKPNI-UHFFFAOYSA-N 1 0 416.522 2.430 20 0 HEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3cc(F)ccc3O)CC2)cc1 ZINC000745732321 1078619165 /nfs/dbraw/zinc/61/91/65/1078619165.db2.gz QMFOPDHHIVBGIE-UHFFFAOYSA-N 1 0 416.449 2.431 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)C1CCCC1 ZINC000769921011 1078636563 /nfs/dbraw/zinc/63/65/63/1078636563.db2.gz UKAAETIWNBOUCE-QGZVFWFLSA-N 1 0 404.511 2.397 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000745782679 1078642065 /nfs/dbraw/zinc/64/20/65/1078642065.db2.gz VUHAWIWFKNNFOC-QZTJIDSGSA-N 1 0 417.554 2.277 20 0 HEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000745785202 1078642472 /nfs/dbraw/zinc/64/24/72/1078642472.db2.gz PWBHEVDFUUTYRM-GOSISDBHSA-N 1 0 411.591 2.055 20 0 HEADRO CC(C)(C)[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CCS(C)(=O)=O ZINC000769941859 1078647074 /nfs/dbraw/zinc/64/70/74/1078647074.db2.gz LEQAMFLBCUUJQJ-UHFFFAOYSA-N 1 0 409.552 2.287 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)C2=O)cc1 ZINC000745879718 1078682862 /nfs/dbraw/zinc/68/28/62/1078682862.db2.gz WBCGGZXMJRBJOA-PMACEKPBSA-N 1 0 402.539 2.243 20 0 HEADRO CN1CCC(CNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)([NH+]2CCCCC2)CC1 ZINC000745879174 1078681683 /nfs/dbraw/zinc/68/16/83/1078681683.db2.gz YKLRPUOSIOQMBM-UHFFFAOYSA-N 1 0 423.602 2.199 20 0 HEADRO CN1CCC(CNC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)([NH+]2CCCCC2)CC1 ZINC000745878350 1078681874 /nfs/dbraw/zinc/68/18/74/1078681874.db2.gz MWIGCVRUNCVLIJ-HXUWFJFHSA-N 1 0 419.614 2.123 20 0 HEADRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)NCc3nc(C4CC4)no3)c2)CC1 ZINC000770022740 1078690967 /nfs/dbraw/zinc/69/09/67/1078690967.db2.gz GBTNOLNUGDXRED-UHFFFAOYSA-N 1 0 411.506 2.476 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000770025576 1078693060 /nfs/dbraw/zinc/69/30/60/1078693060.db2.gz UVRBBVOMXWUAKO-HKUYNNGSSA-N 1 0 403.502 2.146 20 0 HEADRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cc(=O)oc4cc(OC)ccc34)CC2)n1 ZINC000770038482 1078699440 /nfs/dbraw/zinc/69/94/40/1078699440.db2.gz OEIUTZJWFWHOSK-UHFFFAOYSA-N 1 0 412.446 2.476 20 0 HEADRO CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000770049587 1078704425 /nfs/dbraw/zinc/70/44/25/1078704425.db2.gz OICIFBHEYBLIIO-DNVCBOLYSA-N 1 0 405.520 2.290 20 0 HEADRO CCN(CC1CC[NH+](CC(=O)N2CCC[C@H](NC(C)=O)C2)CC1)C(=O)OC(C)(C)C ZINC000745987298 1078720296 /nfs/dbraw/zinc/72/02/96/1078720296.db2.gz BJOMXDJHOGAFKQ-IBGZPJMESA-N 1 0 424.586 2.083 20 0 HEADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000745990799 1078721853 /nfs/dbraw/zinc/72/18/53/1078721853.db2.gz JBLUZUMYEBWZLN-WDNPAAFGSA-N 1 0 405.564 2.252 20 0 HEADRO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C2(CCCCC2)C1 ZINC000746013602 1078732936 /nfs/dbraw/zinc/73/29/36/1078732936.db2.gz FXBPQXNYKGXIPF-NRFANRHFSA-N 1 0 416.497 2.070 20 0 HEADRO Cc1ccc2[nH]c(CNC(=O)C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)nc2c1 ZINC000746044362 1078753881 /nfs/dbraw/zinc/75/38/81/1078753881.db2.gz SPIGFMODOZFGBC-UHFFFAOYSA-N 1 0 420.517 2.268 20 0 HEADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1NC(=O)OC(C)(C)C ZINC000746045802 1078755003 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WZLFYNFGNAPSDH-HNNXBMFYSA-N 1 0 402.520 2.091 20 0 HEADRO O=C(NCCNc1ccc(C(F)(F)F)cn1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746120140 1078796401 /nfs/dbraw/zinc/79/64/01/1078796401.db2.gz CVPCLTWHQLKUHQ-IBGZPJMESA-N 1 0 408.424 2.266 20 0 HEADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000746133646 1078801759 /nfs/dbraw/zinc/80/17/59/1078801759.db2.gz HLVLJEWBXBRHGL-OAQYLSRUSA-N 1 0 407.514 2.138 20 0 HEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000770281263 1078806430 /nfs/dbraw/zinc/80/64/30/1078806430.db2.gz AIWQJEDENQZXKU-UHFFFAOYSA-N 1 0 423.579 2.391 20 0 HEADRO C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000746171357 1078809611 /nfs/dbraw/zinc/80/96/11/1078809611.db2.gz SRCDYBUEEKGELH-SBUREZEXSA-N 1 0 409.486 2.457 20 0 HEADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000746196168 1078815797 /nfs/dbraw/zinc/81/57/97/1078815797.db2.gz GIBDYYZOIFDOFR-CVDCTZTESA-N 1 0 417.550 2.481 20 0 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C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000746249289 1078832135 /nfs/dbraw/zinc/83/21/35/1078832135.db2.gz WXOYEQIFSMKSAQ-KRWDZBQOSA-N 1 0 404.555 2.419 20 0 HEADRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770384407 1078835276 /nfs/dbraw/zinc/83/52/76/1078835276.db2.gz RMYNLBYRJPEKGF-IEBWSBKVSA-N 1 0 419.570 2.456 20 0 HEADRO [NH3+]C1(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CCCCCC1 ZINC000746280382 1078843529 /nfs/dbraw/zinc/84/35/29/1078843529.db2.gz MSZBXFJWELKVBG-UHFFFAOYSA-N 1 0 408.549 2.080 20 0 HEADRO O=C(c1cccc2nccn21)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000770415146 1078845221 /nfs/dbraw/zinc/84/52/21/1078845221.db2.gz RBHGGGUEMOUDLX-IBGZPJMESA-N 1 0 404.518 2.404 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)CC[NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000746298539 1078846431 /nfs/dbraw/zinc/84/64/31/1078846431.db2.gz FTTYRQOISLLRAK-QFIPXVFZSA-N 1 0 406.530 2.429 20 0 HEADRO O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCOc2ccccc2C1 ZINC000746501465 1078847684 /nfs/dbraw/zinc/84/76/84/1078847684.db2.gz FNTQSPFYAKJEDM-XMMPIXPASA-N 1 0 420.513 2.425 20 0 HEADRO C[NH+](C)[C@H]1Cc2ccccc2N(CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000766342296 1078861441 /nfs/dbraw/zinc/86/14/41/1078861441.db2.gz XXNWBYDBJVYOQB-KSFYIVLOSA-N 1 0 400.523 2.205 20 0 HEADRO COc1cc2c(cc1CNC(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)O[C@@H](C)C2 ZINC000746332375 1078862241 /nfs/dbraw/zinc/86/22/41/1078862241.db2.gz MZPKRZBWZGTYPB-KXBFYZLASA-N 1 0 403.523 2.461 20 0 HEADRO COc1cc2c(cc1CNC(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)O[C@H](C)C2 ZINC000746332366 1078862248 /nfs/dbraw/zinc/86/22/48/1078862248.db2.gz MZPKRZBWZGTYPB-BEFAXECRSA-N 1 0 403.523 2.461 20 0 HEADRO CC(C)N1C(=O)c2ccc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc2S1(=O)=O ZINC000746344255 1078867439 /nfs/dbraw/zinc/86/74/39/1078867439.db2.gz JYRJRWIBGXAUOZ-UHFFFAOYSA-N 1 0 409.552 2.478 20 0 HEADRO COc1cccc(/C=C(\C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n2nnnc2C)c1 ZINC000746348279 1078868728 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407.474 2.316 20 0 HEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000770534711 1078888041 /nfs/dbraw/zinc/88/80/41/1078888041.db2.gz JQMMPGFHIXDLEB-AEFFLSMTSA-N 1 0 411.591 2.005 20 0 HEADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000746377686 1078883517 /nfs/dbraw/zinc/88/35/17/1078883517.db2.gz COUHKVRJILSENY-IFMALSPDSA-N 1 0 423.561 2.139 20 0 HEADRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766351163 1078898744 /nfs/dbraw/zinc/89/87/44/1078898744.db2.gz NXQZGAXQWPFBGC-OAQYLSRUSA-N 1 0 416.566 2.179 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000770594066 1078900516 /nfs/dbraw/zinc/90/05/16/1078900516.db2.gz IGUNUQIADYKNNZ-RHSMWYFYSA-N 1 0 402.461 2.064 20 0 HEADRO CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000746422490 1078918609 /nfs/dbraw/zinc/91/86/09/1078918609.db2.gz OGJQLBCJXNESLB-FUHWJXTLSA-N 1 0 405.543 2.188 20 0 HEADRO O=C(c1ccc(S[C@H]2CCOC2=O)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000770659268 1078922661 /nfs/dbraw/zinc/92/26/61/1078922661.db2.gz UFYGSPDWOXTXAT-IBGZPJMESA-N 1 0 404.532 2.279 20 0 HEADRO COC(=O)c1cc(C(=O)OC)n(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000766378506 1078927925 /nfs/dbraw/zinc/92/79/25/1078927925.db2.gz XGCSGAYEIJIPRX-HOTGVXAUSA-N 1 0 400.479 2.009 20 0 HEADRO COC(=O)c1cc(C(=O)OC)n(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000766378508 1078928002 /nfs/dbraw/zinc/92/80/02/1078928002.db2.gz XGCSGAYEIJIPRX-JKSUJKDBSA-N 1 0 400.479 2.009 20 0 HEADRO CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000766379200 1078929538 /nfs/dbraw/zinc/92/95/38/1078929538.db2.gz YVEXNWRDOVXAFU-PMAPCBKXSA-N 1 0 424.549 2.130 20 0 HEADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000770650465 1078938449 /nfs/dbraw/zinc/93/84/49/1078938449.db2.gz DJMOVXNNNCFPFW-NRFANRHFSA-N 1 0 402.564 2.460 20 0 HEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)c1ccc(F)cc1 ZINC000766374150 1078939818 /nfs/dbraw/zinc/93/98/18/1078939818.db2.gz MLMHNVAGHIFFHA-AWEZNQCLSA-N 1 0 409.259 2.341 20 0 HEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cnn(C)c1C1CC1)c1cccc(OC)c1 ZINC000770725067 1078951262 /nfs/dbraw/zinc/95/12/62/1078951262.db2.gz JSZHMGIUFAENFZ-LJQANCHMSA-N 1 0 413.522 2.444 20 0 HEADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000766404775 1078955157 /nfs/dbraw/zinc/95/51/57/1078955157.db2.gz NKGCJVBGQQHZLG-UHFFFAOYSA-N 1 0 421.295 2.039 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000766411814 1078965094 /nfs/dbraw/zinc/96/50/94/1078965094.db2.gz MPPYBPQOVKZSNE-LEWJYISDSA-N 1 0 415.534 2.216 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)NCc2ccc(F)cc2C(F)(F)F)CCCOC1 ZINC000770697924 1078965792 /nfs/dbraw/zinc/96/57/92/1078965792.db2.gz KYLCZRVHSQBCQX-KRWDZBQOSA-N 1 0 406.376 2.163 20 0 HEADRO O=C(C[N@@H+]1CCCC2(CC2)C1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000770701841 1078970188 /nfs/dbraw/zinc/97/01/88/1078970188.db2.gz SOURTRVDBSNHEH-WJDWOHSUSA-N 1 0 400.504 2.110 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)N(Cc2ccccc2)CC(F)(F)F)CCCOC1 ZINC000770704528 1078973982 /nfs/dbraw/zinc/97/39/82/1078973982.db2.gz FPEDJFMSPLBQHQ-GOSISDBHSA-N 1 0 402.413 2.279 20 0 HEADRO COC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000746454127 1078983596 /nfs/dbraw/zinc/98/35/96/1078983596.db2.gz QDNPCGBYPDDHIT-KDOFPFPSSA-N 1 0 400.479 2.279 20 0 HEADRO COC(=O)C1(C)CCC(N2CCn3c(CN4CC[NH+](C)CC4)cnc3[C@H]2C)CC1 ZINC001168788971 1078979917 /nfs/dbraw/zinc/97/99/17/1078979917.db2.gz GZLNTLVSWWGBAJ-PDDLGQBUSA-N 1 0 403.571 2.129 20 0 HEADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)cc1 ZINC000746452353 1078981664 /nfs/dbraw/zinc/98/16/64/1078981664.db2.gz STXHTGRUJOYHFR-QZTJIDSGSA-N 1 0 402.495 2.265 20 0 HEADRO COc1cccc(NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1F ZINC000770765096 1078985052 /nfs/dbraw/zinc/98/50/52/1078985052.db2.gz MKLQMGFWBLOGOX-UHFFFAOYSA-N 1 0 407.486 2.124 20 0 HEADRO COC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000746454847 1078985461 /nfs/dbraw/zinc/98/54/61/1078985461.db2.gz UGVSTBFVZOJHSK-KSSFIOAISA-N 1 0 400.479 2.279 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N[C@@H](CO)CC(C)(C)C)cc2)CC1 ZINC000746449179 1078987585 /nfs/dbraw/zinc/98/75/85/1078987585.db2.gz DNTUDQUJDWUQSW-LJQANCHMSA-N 1 0 418.582 2.316 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2F)C1 ZINC000746455839 1079008041 /nfs/dbraw/zinc/00/80/41/1079008041.db2.gz WEGDYBXSDTVDAO-MRXNPFEDSA-N 1 0 418.513 2.375 20 0 HEADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000804278552 1078999122 /nfs/dbraw/zinc/99/91/22/1078999122.db2.gz BUSHANQJMKCKIS-KRWDZBQOSA-N 1 0 400.910 2.298 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000746458652 1079000198 /nfs/dbraw/zinc/00/01/98/1079000198.db2.gz UEOYVOGJNAVSSU-UHFFFAOYSA-N 1 0 406.552 2.064 20 0 HEADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804278308 1079000288 /nfs/dbraw/zinc/00/02/88/1079000288.db2.gz UAVKTLKMXYPFDV-GOSISDBHSA-N 1 0 400.910 2.332 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)N[C@@H](CO)c2ccsc2)cc1)C1CC[NH+](C)CC1 ZINC000770783341 1079013293 /nfs/dbraw/zinc/01/32/93/1079013293.db2.gz NGAUEQXYJNHQDA-IBGZPJMESA-N 1 0 416.547 2.067 20 0 HEADRO C/C=C\C[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000770801780 1079024121 /nfs/dbraw/zinc/02/41/21/1079024121.db2.gz MPWBGKBULWJKPO-MAVJXHJTSA-N 1 0 422.957 2.254 20 0 HEADRO C/C=C\C[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000770801778 1079024268 /nfs/dbraw/zinc/02/42/68/1079024268.db2.gz MPWBGKBULWJKPO-IVZVJUQRSA-N 1 0 422.957 2.254 20 0 HEADRO NC(=O)c1csc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC000766488712 1079027319 /nfs/dbraw/zinc/02/73/19/1079027319.db2.gz LXTPWWDDAWNDEJ-UHFFFAOYSA-N 1 0 408.423 2.309 20 0 HEADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1-c1ncco1 ZINC000766491754 1079030893 /nfs/dbraw/zinc/03/08/93/1079030893.db2.gz ZACBCOBLCGPVRN-SFHVURJKSA-N 1 0 412.490 2.348 20 0 HEADRO C[C@H]([NH2+]C1(CNC(=O)C(=O)Nc2ccc(F)nc2)CCOCC1)c1ccccc1 ZINC000766481480 1079034137 /nfs/dbraw/zinc/03/41/37/1079034137.db2.gz ZUKIGWFYSUFPII-HNNXBMFYSA-N 1 0 400.454 2.175 20 0 HEADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000746479910 1079035287 /nfs/dbraw/zinc/03/52/87/1079035287.db2.gz CIWNRKCTOYZTRG-UHFFFAOYSA-N 1 0 411.543 2.264 20 0 HEADRO COc1cc2c(cc1OC)CN(C(=O)C[NH+]1CCC(N(C)CC(F)F)CC1)CC2 ZINC000746482045 1079039040 /nfs/dbraw/zinc/03/90/40/1079039040.db2.gz MVLRGWRELIUIHS-UHFFFAOYSA-N 1 0 411.493 2.250 20 0 HEADRO CCOC(=O)C1=C(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)NC(=O)N[C@H]1C ZINC000746481866 1079039887 /nfs/dbraw/zinc/03/98/87/1079039887.db2.gz ILVFHOUPODIQNU-KXBFYZLASA-N 1 0 401.507 2.267 20 0 HEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)cc1 ZINC001168800377 1079040629 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/nfs/dbraw/zinc/05/46/69/1079054669.db2.gz PDNSLZAVUCDCJD-LULLPPNCSA-N 1 0 400.523 2.370 20 0 HEADRO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168865417 1079057384 /nfs/dbraw/zinc/05/73/84/1079057384.db2.gz MFAQONZPZXHCAP-VWKPWSFCSA-N 1 0 401.511 2.303 20 0 HEADRO C[C@H]1C[C@H]([NH+]2CCC3(CC2)CN(CC2CC2)C(=O)CO3)CN1C(=O)OC(C)(C)C ZINC001168868792 1079058510 /nfs/dbraw/zinc/05/85/10/1079058510.db2.gz UYVTZVVASSBWTG-WMZOPIPTSA-N 1 0 407.555 2.488 20 0 HEADRO C[C@@H]1C[C@H]([NH+]2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)CN1C(=O)OC(C)(C)C ZINC001168869892 1079059348 /nfs/dbraw/zinc/05/93/48/1079059348.db2.gz YUKDHBOUAMPYAS-NJAFHUGGSA-N 1 0 417.554 2.256 20 0 HEADRO C[C@@H]1C[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CC[NH2+]C3)CN1C(=O)OC(C)(C)C ZINC001168849858 1079061172 /nfs/dbraw/zinc/06/11/72/1079061172.db2.gz LYZBATRBSCCINH-HUUCEWRRSA-N 1 0 401.511 2.111 20 0 HEADRO COc1ccc(CN2CC[C@@H](n3cc(C[C@H]([NH3+])C(N)=O)c4ccccc43)CC2=O)cc1 ZINC001168893688 1079063391 /nfs/dbraw/zinc/06/33/91/1079063391.db2.gz BBDLXXFKCDCHKW-NQIIRXRSSA-N 1 0 420.513 2.369 20 0 HEADRO C[NH+](C)CCCNC(=O)c1cccnc1N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001168896342 1079064330 /nfs/dbraw/zinc/06/43/30/1079064330.db2.gz SYRXTKOAIKUNDQ-IBGZPJMESA-N 1 0 409.534 2.480 20 0 HEADRO CC(C)[N@H+](C[C@@H](O)COc1ccc(CC(N)=O)cc1)C[C@@H]1COC2(CCCCC2)O1 ZINC001168873248 1079065434 /nfs/dbraw/zinc/06/54/34/1079065434.db2.gz MJPYWDWSRKPZEY-TZIWHRDSSA-N 1 0 420.550 2.240 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)CC2=O)cc1 ZINC001168926591 1079069819 /nfs/dbraw/zinc/06/98/19/1079069819.db2.gz KPWQAJRSSIZIDI-XUVXKRRUSA-N 1 0 407.514 2.467 20 0 HEADRO CCC[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1CCOC ZINC000766533350 1079070423 /nfs/dbraw/zinc/07/04/23/1079070423.db2.gz HRGXFTCGZKVIOI-MRXNPFEDSA-N 1 0 418.506 2.185 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@H]2CC23CCOCC3)C[C@H]1C(=O)N1CCSC1 ZINC001170019030 1079070743 /nfs/dbraw/zinc/07/07/43/1079070743.db2.gz CCUNWAAZHPZBSW-JYJNAYRXSA-N 1 0 411.568 2.056 20 0 HEADRO C[C@@H]1C[C@H](NC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000766536375 1079071679 /nfs/dbraw/zinc/07/16/79/1079071679.db2.gz WIMFYPNTXBDFMR-CHWSQXEVSA-N 1 0 423.457 2.141 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]CC3(c4cnccn4)CCOCC3)CC2=O)cc1 ZINC001168913449 1079074323 /nfs/dbraw/zinc/07/43/23/1079074323.db2.gz GLQIYVQLJABDOH-LJQANCHMSA-N 1 0 410.518 2.314 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]CCN(CCO)C(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168916404 1079075147 /nfs/dbraw/zinc/07/51/47/1079075147.db2.gz SHLRPERYYDEYGV-SFHVURJKSA-N 1 0 421.538 2.005 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccnc(N4CCCNC4=O)c3)CC2=O)cc1 ZINC001168917979 1079075453 /nfs/dbraw/zinc/07/54/53/1079075453.db2.gz ZTICUHIKAYISHE-LJQANCHMSA-N 1 0 423.517 2.291 20 0 HEADRO Cc1ccc(S(=O)(=O)n2cc(C(C)C)c3cc(-n4nnnc4C[NH3+])cnc32)cc1 ZINC001168923165 1079077264 /nfs/dbraw/zinc/07/72/64/1079077264.db2.gz GCFLQFGTGKCQSP-UHFFFAOYSA-N 1 0 411.491 2.140 20 0 HEADRO C[NH+]1C[C@]2(C)CN(C(=O)c3n[nH]c4c3CN(C(=O)OC(C)(C)C)CC4)C[C@@]2(C)C1 ZINC001168932381 1079077602 /nfs/dbraw/zinc/07/76/02/1079077602.db2.gz UGVWPZRARNZKQD-NHCUHLMSSA-N 1 0 403.527 2.117 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3C[C@@H]4C[C@H](C(=O)NC5CC5)C[C@@H]4C3)CC2=O)cc1 ZINC001168934605 1079078910 /nfs/dbraw/zinc/07/89/10/1079078910.db2.gz HVOXXFVHHYFCTF-HUUJSLGLSA-N 1 0 411.546 2.423 20 0 HEADRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2)c1 ZINC000746124579 1079084454 /nfs/dbraw/zinc/08/44/54/1079084454.db2.gz XMAKOFGHPMAVCM-UHFFFAOYSA-N 1 0 421.545 2.082 20 0 HEADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N(C)S(=O)(=O)CC[NH3+])c23)C1 ZINC001156239535 1079093367 /nfs/dbraw/zinc/09/33/67/1079093367.db2.gz UFWCPKZPJDVSNF-ZDUSSCGKSA-N 1 0 423.608 2.137 20 0 HEADRO O=C(CCCCNC(=O)OCc1ccccc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771038856 1079113069 /nfs/dbraw/zinc/11/30/69/1079113069.db2.gz KMGNJCDATJWKBS-FQEVSTJZSA-N 1 0 403.523 2.453 20 0 HEADRO CCOC(=O)c1cc2cc(Br)cc(-n3cncc3C[C@@H]([NH3+])CO)c2o1 ZINC001169073857 1079125446 /nfs/dbraw/zinc/12/54/46/1079125446.db2.gz FMKHREAQUZQQIC-GFCCVEGCSA-N 1 0 408.252 2.420 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000766590978 1079128991 /nfs/dbraw/zinc/12/89/91/1079128991.db2.gz DDGIKKMBXKIGAS-SFHVURJKSA-N 1 0 416.566 2.431 20 0 HEADRO Cc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)n1 ZINC000766584984 1079134700 /nfs/dbraw/zinc/13/47/00/1079134700.db2.gz QQWCCULDDMGEIM-NRFANRHFSA-N 1 0 407.518 2.444 20 0 HEADRO COCCC1(C[NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CCC1 ZINC000766599795 1079147725 /nfs/dbraw/zinc/14/77/25/1079147725.db2.gz YUPRCEKNYWKDBB-OAHLLOKOSA-N 1 0 418.581 2.270 20 0 HEADRO COC(=O)[C@@](C)(N)Cc1cn(-c2ccc(CN3CC[NH2+]CC3)cc2)c2ccccc12 ZINC001169116513 1079140694 /nfs/dbraw/zinc/14/06/94/1079140694.db2.gz XWDKSOAKFOISLI-DEOSSOPVSA-N 1 0 406.530 2.469 20 0 HEADRO C[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)[NH+]1CCCCC1 ZINC000771121308 1079141935 /nfs/dbraw/zinc/14/19/35/1079141935.db2.gz IPCVVXBQQCRYJO-RBZFPXEDSA-N 1 0 424.904 2.237 20 0 HEADRO C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCCC[NH+]2CCCCC2)C1=O ZINC000771095190 1079149219 /nfs/dbraw/zinc/14/92/19/1079149219.db2.gz OUXUOIKELJRHCC-HXUWFJFHSA-N 1 0 424.904 2.238 20 0 HEADRO CC[NH+]1CCC(N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771105382 1079154701 /nfs/dbraw/zinc/15/47/01/1079154701.db2.gz ZPFKAKSHVZJWMX-FQEVSTJZSA-N 1 0 424.904 2.189 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C1)C2 ZINC001169138208 1079155678 /nfs/dbraw/zinc/15/56/78/1079155678.db2.gz GLDAKABHROOWJK-CTWRKMMKSA-N 1 0 403.592 2.289 20 0 HEADRO COC(=O)[C@](C)(N)Cc1cn(-c2ccc(OCC[NH+]3CCCC3)nn2)c2ccccc12 ZINC001169114364 1079161523 /nfs/dbraw/zinc/16/15/23/1079161523.db2.gz YHFPSDRAFSTJDA-HSZRJFAPSA-N 1 0 423.517 2.328 20 0 HEADRO COCC[S@@](=O)Cc1cccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000771155974 1079169982 /nfs/dbraw/zinc/16/99/82/1079169982.db2.gz BBFOBCUBGLGSQI-GDLZYMKVSA-N 1 0 424.611 2.119 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc2ccccc2n1C ZINC001169161586 1079170332 /nfs/dbraw/zinc/17/03/32/1079170332.db2.gz FIUVJECTVHNZAP-INIZCTEOSA-N 1 0 422.533 2.274 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc(F)c(F)c1F ZINC001169161460 1079170584 /nfs/dbraw/zinc/17/05/84/1079170584.db2.gz DAWZKFPNKOPNFP-GFCCVEGCSA-N 1 0 423.439 2.200 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001169190731 1079179278 /nfs/dbraw/zinc/17/92/78/1079179278.db2.gz KBSUYSYZVYPAPN-KBPBESRZSA-N 1 0 415.460 2.062 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](C)c1ccccc1F ZINC001169162717 1079171891 /nfs/dbraw/zinc/17/18/91/1079171891.db2.gz OYXIQCSRPKDGAF-GJZGRUSLSA-N 1 0 401.486 2.482 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](C)c1ccccc1F ZINC001169162716 1079171967 /nfs/dbraw/zinc/17/19/67/1079171967.db2.gz OYXIQCSRPKDGAF-CABCVRRESA-N 1 0 401.486 2.482 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cnc2ccccc2c1 ZINC001169166270 1079174183 /nfs/dbraw/zinc/17/41/83/1079174183.db2.gz AMITVGSORDGNKS-INIZCTEOSA-N 1 0 420.517 2.331 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCc1cccs1 ZINC001169168618 1079174323 /nfs/dbraw/zinc/17/43/23/1079174323.db2.gz ODIMJBUHRBRYGH-HNNXBMFYSA-N 1 0 403.552 2.276 20 0 HEADRO CN(CC1CC[NH+](C)CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771160411 1079175335 /nfs/dbraw/zinc/17/53/35/1079175335.db2.gz VRFSBDPXSNVGTL-FQEVSTJZSA-N 1 0 424.904 2.046 20 0 HEADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169166861 1079175383 /nfs/dbraw/zinc/17/53/83/1079175383.db2.gz DLYIYNPGABRUTH-JKSUJKDBSA-N 1 0 413.522 2.352 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1nccc2ccccc21 ZINC001169167547 1079175868 /nfs/dbraw/zinc/17/58/68/1079175868.db2.gz JFSDHGGRFRNSCF-INIZCTEOSA-N 1 0 420.517 2.331 20 0 HEADRO O=C(Nc1ccc(-n2cncn2)c(Cl)c1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766607980 1079175948 /nfs/dbraw/zinc/17/59/48/1079175948.db2.gz RDJJPHLWIHOJDN-UHFFFAOYSA-N 1 0 416.913 2.336 20 0 HEADRO Cc1ccc2c(c1)C[N@H+]([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169190654 1079179045 /nfs/dbraw/zinc/17/90/45/1079179045.db2.gz IWXKPSBEPDMNON-QGZVFWFLSA-N 1 0 409.534 2.359 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001169191993 1079180245 /nfs/dbraw/zinc/18/02/45/1079180245.db2.gz OPNGJKOASSWLJY-AEFFLSMTSA-N 1 0 410.522 2.225 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001169193923 1079180969 /nfs/dbraw/zinc/18/09/69/1079180969.db2.gz XJONENFJZVQLJS-MJGOQNOKSA-N 1 0 409.534 2.482 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001169194016 1079181550 /nfs/dbraw/zinc/18/15/50/1079181550.db2.gz VADRDYLYKGHOMR-LSDHHAIUSA-N 1 0 411.497 2.408 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCCc2ccncc21 ZINC001169194731 1079182116 /nfs/dbraw/zinc/18/21/16/1079182116.db2.gz DHXSHOJLIPPKFB-YJBOKZPZSA-N 1 0 410.522 2.055 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCCc2ccncc21 ZINC001169194728 1079182123 /nfs/dbraw/zinc/18/21/23/1079182123.db2.gz DHXSHOJLIPPKFB-CRAIPNDOSA-N 1 0 410.522 2.055 20 0 HEADRO Cc1cncc([C@@H]([NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C2CC2)c1 ZINC001169197378 1079182915 /nfs/dbraw/zinc/18/29/15/1079182915.db2.gz VLSGDINHTZTDCC-APWZRJJASA-N 1 0 424.549 2.437 20 0 HEADRO CCCC[C@H](CO)[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170022441 1079186963 /nfs/dbraw/zinc/18/69/63/1079186963.db2.gz PMLPKXBHFUGYFT-PMPSAXMXSA-N 1 0 401.573 2.038 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001169173600 1079188630 /nfs/dbraw/zinc/18/86/30/1079188630.db2.gz GBVDCBMAKJIOBE-OAHLLOKOSA-N 1 0 419.570 2.318 20 0 HEADRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc2c(C)nc(N)nc2n(C(C)C)c1=O ZINC001169174959 1079189200 /nfs/dbraw/zinc/18/92/00/1079189200.db2.gz ZNJRELBXPGPLRJ-UHFFFAOYSA-N 1 0 421.505 2.420 20 0 HEADRO C[NH+]1CCC(CCNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771144535 1079192330 /nfs/dbraw/zinc/19/23/30/1079192330.db2.gz LGUSCMXCCKVXDN-HXUWFJFHSA-N 1 0 424.904 2.094 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1c(F)cccc1F ZINC001169180925 1079193069 /nfs/dbraw/zinc/19/30/69/1079193069.db2.gz BTNPUGBRNALFMQ-CQSZACIVSA-N 1 0 419.476 2.103 20 0 HEADRO Cc1cc(S(=O)(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cnc1Cl ZINC000771192114 1079195080 /nfs/dbraw/zinc/19/50/80/1079195080.db2.gz WEUFAENMRWEBOC-UHFFFAOYSA-N 1 0 400.976 2.223 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2ccc(F)cc2C1 ZINC001169209254 1079196586 /nfs/dbraw/zinc/19/65/86/1079196586.db2.gz TWQZSZAZBAYSHN-OAHLLOKOSA-N 1 0 413.497 2.190 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3c[nH]nc3C)cc2Cl)CC1 ZINC000771201420 1079202289 /nfs/dbraw/zinc/20/22/89/1079202289.db2.gz BECGWKDOZDMULO-UHFFFAOYSA-N 1 0 404.902 2.481 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001169205534 1079205501 /nfs/dbraw/zinc/20/55/01/1079205501.db2.gz FRHCXLVTRIMLJB-AWEZNQCLSA-N 1 0 418.929 2.173 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(CN3C(=O)NC4(C3=O)[C@H](C)CCC[C@H]4C)CC2)CC1 ZINC000771172279 1079208187 /nfs/dbraw/zinc/20/81/87/1079208187.db2.gz ATWPRMQUXFQFLG-RTBURBONSA-N 1 0 419.614 2.181 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(Cn3ncn(CC(F)(F)F)c3=S)CC2)CC1 ZINC000771175720 1079209695 /nfs/dbraw/zinc/20/96/95/1079209695.db2.gz JLENVUSYBKIDES-UHFFFAOYSA-N 1 0 406.522 2.424 20 0 HEADRO C[C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CCO1 ZINC000771237883 1079221380 /nfs/dbraw/zinc/22/13/80/1079221380.db2.gz HFBXMHNCYVPMAW-JKSUJKDBSA-N 1 0 420.529 2.226 20 0 HEADRO CCN1CCC([N@@H+]2CC[C@@H]3CN(Cc4cccc(OC)c4)S(=O)(=O)[C@@H]3CC2)CC1 ZINC001169254453 1079213083 /nfs/dbraw/zinc/21/30/83/1079213083.db2.gz XJNPASCANUKOHF-DENIHFKCSA-N 1 0 421.607 2.406 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1)C(C)C ZINC000771190952 1079215130 /nfs/dbraw/zinc/21/51/30/1079215130.db2.gz OPTDXQTWGINGEG-KRWDZBQOSA-N 1 0 402.539 2.486 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000771191925 1079215485 /nfs/dbraw/zinc/21/54/85/1079215485.db2.gz ALEWOYRMBSQTEP-UHFFFAOYSA-N 1 0 402.539 2.486 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C(C)C ZINC000771217151 1079232388 /nfs/dbraw/zinc/23/23/88/1079232388.db2.gz XKLFURWYKXNDOT-GOSISDBHSA-N 1 0 414.550 2.486 20 0 HEADRO O=C(Nc1ccc(SC(F)F)nc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000771219083 1079233779 /nfs/dbraw/zinc/23/37/79/1079233779.db2.gz FPLMNMRDMXBISD-CQSZACIVSA-N 1 0 414.478 2.094 20 0 HEADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)nc2)CC1 ZINC000771221210 1079235129 /nfs/dbraw/zinc/23/51/29/1079235129.db2.gz DUHGYPOQJSFHJU-UHFFFAOYSA-N 1 0 416.494 2.294 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2Cc3ccc(I)cc3C2)CO1 ZINC001169337013 1079237822 /nfs/dbraw/zinc/23/78/22/1079237822.db2.gz AMOHIPFBLDKCGF-JYJNAYRXSA-N 1 0 415.271 2.459 20 0 HEADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)[C@@H]1C ZINC001169342595 1079239902 /nfs/dbraw/zinc/23/99/02/1079239902.db2.gz OLLGKFDEQURLSJ-CSMYWGQOSA-N 1 0 414.424 2.050 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCN(Cc3ccc(C(=O)OC)cc3)C[C@@H]2C)CO1 ZINC001169404587 1079252040 /nfs/dbraw/zinc/25/20/40/1079252040.db2.gz NOASGUPAAQVNFJ-DBVUQKKJSA-N 1 0 404.507 2.090 20 0 HEADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2C[NH+](C)C)C1=O ZINC000771262869 1079252335 /nfs/dbraw/zinc/25/23/35/1079252335.db2.gz GGNSRKFABKGAJM-QFIPXVFZSA-N 1 0 410.474 2.163 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)CO1 ZINC001169388540 1079258761 /nfs/dbraw/zinc/25/87/61/1079258761.db2.gz ASPZIDWDCOMFOO-BXWFABGCSA-N 1 0 410.465 2.125 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)CO1 ZINC001169393532 1079265105 /nfs/dbraw/zinc/26/51/05/1079265105.db2.gz SSCKHFQNYZOJRF-PFAUGDHASA-N 1 0 404.507 2.331 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCc3nc(C(=O)NCC(C)C)sc3CC2)CO1 ZINC001169391937 1079261475 /nfs/dbraw/zinc/26/14/75/1079261475.db2.gz LXRSZNOPABWTJU-GDBMZVCRSA-N 1 0 409.552 2.040 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(N4CCOC4=O)ccc3F)CC2)CC1 ZINC000771298803 1079271959 /nfs/dbraw/zinc/27/19/59/1079271959.db2.gz XTWSIAOYTNCTGK-UHFFFAOYSA-N 1 0 418.513 2.413 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)CO1 ZINC001169394737 1079266692 /nfs/dbraw/zinc/26/66/92/1079266692.db2.gz FOXFACYANVGSEI-VMBXEPDQSA-N 1 0 404.507 2.251 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)CO1 ZINC001169394765 1079266757 /nfs/dbraw/zinc/26/67/57/1079266757.db2.gz FWMUCCVYFRDVAQ-RTBURBONSA-N 1 0 401.507 2.120 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCOC[C@@]3(CCN(Cc4csc(C)n4)C3)C2)CO1 ZINC001169397381 1079269230 /nfs/dbraw/zinc/26/92/30/1079269230.db2.gz MOHRLXBLMMBBFW-SVFBPWRDSA-N 1 0 423.579 2.087 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)CO1 ZINC001169397946 1079270084 /nfs/dbraw/zinc/27/00/84/1079270084.db2.gz OPQATSVFLDEUCV-AABGKKOBSA-N 1 0 400.519 2.435 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H](n2ccc3c2ncnc3N(C)[C@H]2C[NH2+]CC[C@H]2C)CO1 ZINC001169416441 1079276644 /nfs/dbraw/zinc/27/66/44/1079276644.db2.gz IEFRUOJNKMGXKM-LMSBXDPUSA-N 1 0 401.511 2.149 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H](N(c2cc(C(F)(F)F)ncn2)C2CC[NH2+]CC2)CO1 ZINC001169417691 1079277693 /nfs/dbraw/zinc/27/76/93/1079277693.db2.gz GVQBDLJAJHTQTG-KBPBESRZSA-N 1 0 402.417 2.165 20 0 HEADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)CC1 ZINC001169419474 1079278596 /nfs/dbraw/zinc/27/85/96/1079278596.db2.gz HJGLXSRECIDDJN-ROUUACIJSA-N 1 0 408.543 2.163 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)CO1 ZINC001169419555 1079278611 /nfs/dbraw/zinc/27/86/11/1079278611.db2.gz QTBMFJFSXWSZOA-KGLIPLIRSA-N 1 0 414.959 2.475 20 0 HEADRO CCC[C@@H]1CN(C(=S)NCCc2ccc3c(c2)OCCO3)CC[N@@H+]1CCOC ZINC000766700510 1079285532 /nfs/dbraw/zinc/28/55/32/1079285532.db2.gz QHOVOZAFAGEUII-GOSISDBHSA-N 1 0 407.580 2.308 20 0 HEADRO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2ccc([C@H]3CC[N@H+](C)C3)cc2)c1 ZINC001169443012 1079293309 /nfs/dbraw/zinc/29/33/09/1079293309.db2.gz XVMAXDLWFOVMGP-UWJYYQICSA-N 1 0 413.518 2.385 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH+]1CCN(c2ncccc2C(=O)N(CC)CC)CC1 ZINC001169485495 1079305505 /nfs/dbraw/zinc/30/55/05/1079305505.db2.gz YRUOQGPUCIJMQC-GOSISDBHSA-N 1 0 403.571 2.333 20 0 HEADRO C[N@@H+]1CCCN(CCCNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000771351817 1079301376 /nfs/dbraw/zinc/30/13/76/1079301376.db2.gz HJALUCACVHPGGH-UHFFFAOYSA-N 1 0 408.546 2.227 20 0 HEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)NC1CCC(O)(c2cccnc2)CC1 ZINC000771355422 1079302330 /nfs/dbraw/zinc/30/23/30/1079302330.db2.gz BDGXJOUHGYYZKJ-RZMWZJFBSA-N 1 0 424.545 2.148 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001169471162 1079310073 /nfs/dbraw/zinc/31/00/73/1079310073.db2.gz JANLDRPMLVPTLK-SFHVURJKSA-N 1 0 410.566 2.486 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1ccc(C)nn1)C2 ZINC001169470958 1079310159 /nfs/dbraw/zinc/31/01/59/1079310159.db2.gz IXKGSWYFYAYEET-UGKGYDQZSA-N 1 0 403.571 2.351 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCC(C)CC3)[C@@H]2C1 ZINC001169474471 1079312451 /nfs/dbraw/zinc/31/24/51/1079312451.db2.gz YTCHAVWOKUAUOB-BQJUDKOJSA-N 1 0 407.599 2.476 20 0 HEADRO C[C@@H]([NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)c1cnccn1 ZINC001170026467 1079314946 /nfs/dbraw/zinc/31/49/46/1079314946.db2.gz NJUWLRPXIGFKSE-YCPHGPKFSA-N 1 0 407.540 2.038 20 0 HEADRO CC(=O)N1CC[C@@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCS(=O)(=O)CC2)C1 ZINC001169521348 1079321959 /nfs/dbraw/zinc/32/19/59/1079321959.db2.gz RBBOQIMKNDSTHK-QGZVFWFLSA-N 1 0 418.481 2.406 20 0 HEADRO O=C(OCc1ccccc1)[C@@H]1CCCN[C@H](Nc2cnc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001169521999 1079322284 /nfs/dbraw/zinc/32/22/84/1079322284.db2.gz UIXNGUPRJJKNPW-MISYRCLQSA-N 1 0 411.506 2.088 20 0 HEADRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)oc(=O)cc3C(F)(F)F)C1 ZINC001169531620 1079324518 /nfs/dbraw/zinc/32/45/18/1079324518.db2.gz IBAITYWSUDTRKO-GXFFZTMASA-N 1 0 411.380 2.349 20 0 HEADRO COC(=O)c1ccc([C@H](C[NH2+][C@H]2CCN(C(C)=O)C2)NC(=O)OC(C)(C)C)cc1 ZINC001169532362 1079324982 /nfs/dbraw/zinc/32/49/82/1079324982.db2.gz KHDVGUWNUKNKOW-ROUUACIJSA-N 1 0 405.495 2.249 20 0 HEADRO CCOC(=O)C1(CNc2nccc(C[N@@H+]3CC[C@H](CO)C3)c2C(OC)OC)CCC1 ZINC001169554495 1079330450 /nfs/dbraw/zinc/33/04/50/1079330450.db2.gz RATDRENYVNVMSC-INIZCTEOSA-N 1 0 421.538 2.333 20 0 HEADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC001169566965 1079333699 /nfs/dbraw/zinc/33/36/99/1079333699.db2.gz KYSONDOHYIXCNY-PZJWPPBQSA-N 1 0 418.582 2.422 20 0 HEADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC001169566963 1079333780 /nfs/dbraw/zinc/33/37/80/1079333780.db2.gz KYSONDOHYIXCNY-FPOVZHCZSA-N 1 0 418.582 2.422 20 0 HEADRO CC(=O)N1CCC[C@H]([NH2+]C2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001169570241 1079334139 /nfs/dbraw/zinc/33/41/39/1079334139.db2.gz PMAWIPDJSHNUCY-IBGZPJMESA-N 1 0 408.587 2.451 20 0 HEADRO CCN(CCCC[NH2+][C@@H]1CCCN(C(C)=O)C1)c1ccc2c(c1)c(=O)[nH][nH]c2=O ZINC001169574120 1079335153 /nfs/dbraw/zinc/33/51/53/1079335153.db2.gz LYKAZXSPYLVMJU-MRXNPFEDSA-N 1 0 401.511 2.248 20 0 HEADRO CCOC(=O)C[C@](C)([NH2+]CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC001169594095 1079337682 /nfs/dbraw/zinc/33/76/82/1079337682.db2.gz UMIUFLSVQANGJS-NRFANRHFSA-N 1 0 413.559 2.413 20 0 HEADRO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NCC2([NH+]3CCSCC3)CCCC2)cn1 ZINC000766762176 1079344643 /nfs/dbraw/zinc/34/46/43/1079344643.db2.gz OITCEFBMAUPBBS-RTBURBONSA-N 1 0 421.611 2.379 20 0 HEADRO COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N([C@H]1CCCN(C(C)=O)C1)C2 ZINC001169626045 1079348895 /nfs/dbraw/zinc/34/88/95/1079348895.db2.gz RCSGIGGKZOTVOC-SFHVURJKSA-N 1 0 415.534 2.177 20 0 HEADRO COc1ccccc1-c1cc(-c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)no1 ZINC000771471778 1079349980 /nfs/dbraw/zinc/34/99/80/1079349980.db2.gz FRRDAUISGQHOQA-UHFFFAOYSA-N 1 0 411.462 2.495 20 0 HEADRO CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCN(C(C)=O)C2)CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001169637999 1079350583 /nfs/dbraw/zinc/35/05/83/1079350583.db2.gz CAQLWYPSMGZWSP-MSOLQXFVSA-N 1 0 423.554 2.119 20 0 HEADRO 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CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccccc1N1CC[NH+](C)CC1)CC2 ZINC000741262266 1076448892 /nfs/dbraw/zinc/44/88/92/1076448892.db2.gz FSBKOPWTBZEKED-UXHICEINSA-N 1 0 402.539 2.222 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CCO1 ZINC000741281351 1076453601 /nfs/dbraw/zinc/45/36/01/1076453601.db2.gz ZYHUPNRETQNSPT-HXUWFJFHSA-N 1 0 403.523 2.392 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)CCO1 ZINC000741282640 1076453986 /nfs/dbraw/zinc/45/39/86/1076453986.db2.gz NHMGBSSDTSIJIH-QUCCMNQESA-N 1 0 419.522 2.196 20 0 HEADRO C[NH+](C)Cc1cccc(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000741282364 1076454567 /nfs/dbraw/zinc/45/45/67/1076454567.db2.gz OENKVBOWMOFBEF-UHFFFAOYSA-N 1 0 404.555 2.421 20 0 HEADRO CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741326161 1076476900 /nfs/dbraw/zinc/47/69/00/1076476900.db2.gz LATGLIVRXYWKPK-NVXWUHKLSA-N 1 0 407.486 2.451 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000741409353 1076513401 /nfs/dbraw/zinc/51/34/01/1076513401.db2.gz MPALNUPHTRXUTI-SFHVURJKSA-N 1 0 409.914 2.278 20 0 HEADRO COc1cc(CCNC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)ccc1C ZINC000741432224 1076523984 /nfs/dbraw/zinc/52/39/84/1076523984.db2.gz SIBVEFSDAMCZNJ-UHFFFAOYSA-N 1 0 424.545 2.443 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(Cc3ccccc3)C[C@@H](C)O)cc2)CC1 ZINC000741424652 1076534256 /nfs/dbraw/zinc/53/42/56/1076534256.db2.gz GJEDBCWFOIWTGE-LJQANCHMSA-N 1 0 424.545 2.177 20 0 HEADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000741577790 1076551969 /nfs/dbraw/zinc/55/19/69/1076551969.db2.gz LXUZNLLWKIBQHI-INIZCTEOSA-N 1 0 422.451 2.194 20 0 HEADRO CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1(C)C ZINC000766271190 1076559021 /nfs/dbraw/zinc/55/90/21/1076559021.db2.gz MAQPQZGHWRURQF-WOJBJXKFSA-N 1 0 416.566 2.475 20 0 HEADRO Cc1c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000741624748 1076570108 /nfs/dbraw/zinc/57/01/08/1076570108.db2.gz KFOBISVOHDBNPV-QGZVFWFLSA-N 1 0 420.558 2.325 20 0 HEADRO CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1(C)C ZINC000766275068 1076576415 /nfs/dbraw/zinc/57/64/15/1076576415.db2.gz NAYWRMZQWFVNGN-MOPGFXCFSA-N 1 0 402.539 2.085 20 0 HEADRO CC(C)c1ccc(N2CC[C@H](C(=O)N3CCN(CC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000741664198 1076581019 /nfs/dbraw/zinc/58/10/19/1076581019.db2.gz APASPRGHIVSHIJ-JOCHJYFZSA-N 1 0 412.578 2.403 20 0 HEADRO CC(C)c1ccc(N2CC[C@H](C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2=O)cc1 ZINC000741689741 1076588101 /nfs/dbraw/zinc/58/81/01/1076588101.db2.gz FSCDOOPWHOWIQE-SIKLNZKXSA-N 1 0 412.578 2.448 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000741703574 1076598402 /nfs/dbraw/zinc/59/84/02/1076598402.db2.gz DORDWKOOPFCUMH-YLJYHZDGSA-N 1 0 422.595 2.217 20 0 HEADRO C[N@@H+]1CCC[C@H](CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)[C@H]1c1cccs1 ZINC000741710757 1076601140 /nfs/dbraw/zinc/60/11/40/1076601140.db2.gz HTRMQZOIPAKPMF-CPUCHLNUSA-N 1 0 402.607 2.168 20 0 HEADRO Cc1ccccc1[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000741772972 1076621784 /nfs/dbraw/zinc/62/17/84/1076621784.db2.gz GTNWRRDYAIZCBJ-HXUWFJFHSA-N 1 0 417.531 2.027 20 0 HEADRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000741789011 1076628164 /nfs/dbraw/zinc/62/81/64/1076628164.db2.gz NYQJISMPWOBAKP-QGZVFWFLSA-N 1 0 412.534 2.242 20 0 HEADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000741788854 1076628175 /nfs/dbraw/zinc/62/81/75/1076628175.db2.gz IHWLBPADCGSOBP-INIZCTEOSA-N 1 0 413.522 2.432 20 0 HEADRO C[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)[C@@H]1C ZINC000741791152 1076629206 /nfs/dbraw/zinc/62/92/06/1076629206.db2.gz QFOIMJFWFKKZHA-QMBNUAFSSA-N 1 0 405.564 2.252 20 0 HEADRO C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000741793968 1076631405 /nfs/dbraw/zinc/63/14/05/1076631405.db2.gz NAQHTEJYJGKQTI-UHFFFAOYSA-N 1 0 414.430 2.339 20 0 HEADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(c3cccc(C)c3C)CC2)CC1 ZINC000741807480 1076644318 /nfs/dbraw/zinc/64/43/18/1076644318.db2.gz DLAJGFJTIHSXCW-LJQANCHMSA-N 1 0 417.550 2.276 20 0 HEADRO CN1CCC(CNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)([NH+]2CCCCC2)CC1 ZINC000742010114 1076706121 /nfs/dbraw/zinc/70/61/21/1076706121.db2.gz BAOHWWBOVIEWBA-FQEVSTJZSA-N 1 0 402.514 2.385 20 0 HEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000742056442 1076720385 /nfs/dbraw/zinc/72/03/85/1076720385.db2.gz URWGFTOEQHVESR-SJORKVTESA-N 1 0 420.579 2.084 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000742074497 1076735745 /nfs/dbraw/zinc/73/57/45/1076735745.db2.gz KJJDIUFPYBTBLZ-OALUTQOASA-N 1 0 405.926 2.453 20 0 HEADRO O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000742105238 1076743016 /nfs/dbraw/zinc/74/30/16/1076743016.db2.gz UFXNEGZDYZAZAK-IRUYWQDXSA-N 1 0 411.546 2.119 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000742107315 1076744203 /nfs/dbraw/zinc/74/42/03/1076744203.db2.gz HRKHPPGAJDOUGB-PKOBYXMFSA-N 1 0 403.523 2.433 20 0 HEADRO COc1ccc(CN2C(=O)C(=O)N(C[N@H+](C[C@H]3CCCO3)C3CCCC3)C2=O)cc1 ZINC000742166686 1076761678 /nfs/dbraw/zinc/76/16/78/1076761678.db2.gz QKZNNLZHYRAAHS-LJQANCHMSA-N 1 0 415.490 2.367 20 0 HEADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000742150478 1076766480 /nfs/dbraw/zinc/76/64/80/1076766480.db2.gz FLLKVAYMIWNEKW-UHFFFAOYSA-N 1 0 408.344 2.362 20 0 HEADRO S=c1n(CN2CC[C@H](C[NH+]3CCOCC3)C2)nc(N2CCCCC2)n1C1CC1 ZINC000742160904 1076772305 /nfs/dbraw/zinc/77/23/05/1076772305.db2.gz ATGKDKRLTVHMOD-QGZVFWFLSA-N 1 0 406.600 2.351 20 0 HEADRO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCC12CC[NH+](C)CC2 ZINC000742183329 1076774792 /nfs/dbraw/zinc/77/47/92/1076774792.db2.gz FOURRMAQIYDKBN-UHFFFAOYSA-N 1 0 410.444 2.389 20 0 HEADRO C[NH+]1CCC2(CCN2C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000742185328 1076775984 /nfs/dbraw/zinc/77/59/84/1076775984.db2.gz MTTWWKSYRZJLQP-AWEZNQCLSA-N 1 0 406.324 2.499 20 0 HEADRO C[NH+]1CCC2(CCN2C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000742187118 1076777189 /nfs/dbraw/zinc/77/71/89/1076777189.db2.gz KSBHHXLGOMHPNR-UHFFFAOYSA-N 1 0 403.504 2.068 20 0 HEADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(Br)nc2)[NH+](C)C)c1 ZINC000766281393 1076799023 /nfs/dbraw/zinc/79/90/23/1076799023.db2.gz BTQLMFJXRWGJHY-HNNXBMFYSA-N 1 0 421.295 2.210 20 0 HEADRO CC[C@H](C)[N@H+](C)CCn1c(N2CCNC(=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001545679739 1076801893 /nfs/dbraw/zinc/80/18/93/1076801893.db2.gz ZQZJSEHNCGPGAQ-SFHVURJKSA-N 1 0 410.566 2.415 20 0 HEADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000742241607 1076804135 /nfs/dbraw/zinc/80/41/35/1076804135.db2.gz QXRSTEAYVJYBAR-NVXWUHKLSA-N 1 0 404.511 2.491 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000742241713 1076804278 /nfs/dbraw/zinc/80/42/78/1076804278.db2.gz RIFGGJWDICFUOF-ZDUSSCGKSA-N 1 0 407.312 2.150 20 0 HEADRO CCOC(=O)N[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000742246147 1076805753 /nfs/dbraw/zinc/80/57/53/1076805753.db2.gz YWAUHBOUSGJOIP-LJQANCHMSA-N 1 0 402.539 2.244 20 0 HEADRO CC[NH+]1CCC(NS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000742274953 1076807822 /nfs/dbraw/zinc/80/78/22/1076807822.db2.gz IMMVBXRBYKODCK-IBGZPJMESA-N 1 0 423.579 2.439 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000742303270 1076812703 /nfs/dbraw/zinc/81/27/03/1076812703.db2.gz BZEYOKCACAQMRY-NWDGAFQWSA-N 1 0 419.341 2.339 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742303852 1076812730 /nfs/dbraw/zinc/81/27/30/1076812730.db2.gz BLDKGKGIQAXJCX-RLLQIKCJSA-N 1 0 423.579 2.389 20 0 HEADRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)nc3ccccn32)Cc2ccccc2C1 ZINC000742306551 1076813826 /nfs/dbraw/zinc/81/38/26/1076813826.db2.gz RYLVLDUEPVRYTD-UHFFFAOYSA-N 1 0 404.923 2.365 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000742282254 1076815491 /nfs/dbraw/zinc/81/54/91/1076815491.db2.gz COTFJGWQPUXLHP-WMZOPIPTSA-N 1 0 409.552 2.362 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000742283356 1076815809 /nfs/dbraw/zinc/81/58/09/1076815809.db2.gz RMPWTVAYWNVOKW-UHFFFAOYSA-N 1 0 401.573 2.135 20 0 HEADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742286262 1076816724 /nfs/dbraw/zinc/81/67/24/1076816724.db2.gz HZFVGXGGGUTOSW-VQTJNVASSA-N 1 0 423.579 2.439 20 0 HEADRO CC[N@H+](CCNS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000742288280 1076817626 /nfs/dbraw/zinc/81/76/26/1076817626.db2.gz VBMMBWZKOWELJJ-IBGZPJMESA-N 1 0 409.552 2.191 20 0 HEADRO CC[N@H+](CCNS(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000742288281 1076817661 /nfs/dbraw/zinc/81/76/61/1076817661.db2.gz VBMMBWZKOWELJJ-LJQANCHMSA-N 1 0 409.552 2.191 20 0 HEADRO C[C@H](CNS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000742290431 1076818590 /nfs/dbraw/zinc/81/85/90/1076818590.db2.gz AMYYPFVGAAMRFY-APWZRJJASA-N 1 0 409.552 2.190 20 0 HEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000742334920 1076825585 /nfs/dbraw/zinc/82/55/85/1076825585.db2.gz XRDCJUFGIMLQDA-FQEVSTJZSA-N 1 0 401.532 2.218 20 0 HEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000742313524 1076828153 /nfs/dbraw/zinc/82/81/53/1076828153.db2.gz QIBSGPLHDMQPAU-UHFFFAOYSA-N 1 0 401.916 2.143 20 0 HEADRO C[C@@H](CNS(=O)(=O)/C=C/c1cccc(Br)c1)CN1CC[NH+](C)CC1 ZINC000742313232 1076828196 /nfs/dbraw/zinc/82/81/96/1076828196.db2.gz PHHJNOOJDPDSAM-VQCVXAJWSA-N 1 0 416.385 2.223 20 0 HEADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000742316232 1076828476 /nfs/dbraw/zinc/82/84/76/1076828476.db2.gz FWUMKKZPJBOGAY-VDTUPGDHSA-N 1 0 415.353 2.404 20 0 HEADRO Cc1cc(N2CC[C@H](ON=C(N)c3cccc(C[NH+]4CCCCC4)c3)C2=O)n(C)n1 ZINC000742357061 1076829971 /nfs/dbraw/zinc/82/99/71/1076829971.db2.gz MDUQOAOJTTZUJR-IBGZPJMESA-N 1 0 410.522 2.366 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000742344166 1076831277 /nfs/dbraw/zinc/83/12/77/1076831277.db2.gz QLLFBKVRMGEXJM-ZDUSSCGKSA-N 1 0 408.973 2.096 20 0 HEADRO CON(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000742397692 1076834411 /nfs/dbraw/zinc/83/44/11/1076834411.db2.gz QXTOIYAVGCLQIA-IBGZPJMESA-N 1 0 405.520 2.210 20 0 HEADRO CON(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000742397694 1076834448 /nfs/dbraw/zinc/83/44/48/1076834448.db2.gz QXTOIYAVGCLQIA-LJQANCHMSA-N 1 0 405.520 2.210 20 0 HEADRO C[NH+]1CCN(CCCNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 ZINC000742490887 1076844374 /nfs/dbraw/zinc/84/43/74/1076844374.db2.gz WSKGWSCJRIBEJK-UHFFFAOYSA-N 1 0 402.417 2.165 20 0 HEADRO C[C@H](C(=O)NCCN1CC[NH+](C)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000742500561 1076845624 /nfs/dbraw/zinc/84/56/24/1076845624.db2.gz DVUFDRJNAUAGBI-PKOBYXMFSA-N 1 0 404.555 2.252 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)CN(CC3CC3)C(=O)OC(C)(C)C)nc2)CC1 ZINC000742546582 1076850852 /nfs/dbraw/zinc/85/08/52/1076850852.db2.gz SNASTXPBMBCDLR-UHFFFAOYSA-N 1 0 403.527 2.419 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNC(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000742588175 1076853614 /nfs/dbraw/zinc/85/36/14/1076853614.db2.gz VVAISKXQIOGEGA-GOSISDBHSA-N 1 0 417.554 2.239 20 0 HEADRO C[C@H](CC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)NC(=O)OC(C)(C)C ZINC000742627122 1076858909 /nfs/dbraw/zinc/85/89/09/1076858909.db2.gz GGALFFFOJIXNCD-IEBWSBKVSA-N 1 0 404.555 2.395 20 0 HEADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000742634194 1076859649 /nfs/dbraw/zinc/85/96/49/1076859649.db2.gz OUYARYNPVJZBPP-UHFFFAOYSA-N 1 0 408.502 2.041 20 0 HEADRO CC[NH+]1CCN(CCNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742670036 1076862766 /nfs/dbraw/zinc/86/27/66/1076862766.db2.gz QFKLQRCOXIHALB-LJQANCHMSA-N 1 0 404.555 2.049 20 0 HEADRO C[C@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000742670896 1076863245 /nfs/dbraw/zinc/86/32/45/1076863245.db2.gz CIJAMBUFINKCOJ-MJGOQNOKSA-N 1 0 404.555 2.047 20 0 HEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000742655440 1076865046 /nfs/dbraw/zinc/86/50/46/1076865046.db2.gz OSJPZKGVGIREDY-UHFFFAOYSA-N 1 0 410.518 2.333 20 0 HEADRO CN1CC[NH+](CC2CCN(C(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000742655242 1076865063 /nfs/dbraw/zinc/86/50/63/1076865063.db2.gz HXHLAFJVRZJNMK-IBGZPJMESA-N 1 0 408.587 2.262 20 0 HEADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)CC2)CC1 ZINC000742655569 1076865203 /nfs/dbraw/zinc/86/52/03/1076865203.db2.gz UPCVDOXFDPJYKK-UHFFFAOYSA-N 1 0 420.554 2.404 20 0 HEADRO CC[NH+](CC)[C@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccco1 ZINC000742824545 1076883554 /nfs/dbraw/zinc/88/35/54/1076883554.db2.gz QOVSWHVUEQRQFE-CXAGYDPISA-N 1 0 402.417 2.352 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)C1 ZINC000742869071 1076890306 /nfs/dbraw/zinc/89/03/06/1076890306.db2.gz VVATXTIOMFYQOH-GOSISDBHSA-N 1 0 415.538 2.405 20 0 HEADRO CCOC(=O)N1CCC(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1 ZINC000742896657 1076893922 /nfs/dbraw/zinc/89/39/22/1076893922.db2.gz BIAXWPWYABXPPH-UHFFFAOYSA-N 1 0 418.538 2.120 20 0 HEADRO Cc1cc2nc(C)cc(C(=O)Nc3ccc(OCCN4CC[NH+](C)CC4)cc3)n2n1 ZINC000742897171 1076894034 /nfs/dbraw/zinc/89/40/34/1076894034.db2.gz HERRTLXMRFCBFA-UHFFFAOYSA-N 1 0 408.506 2.225 20 0 HEADRO Cc1[nH]nc(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)c1Br ZINC000742898727 1076894224 /nfs/dbraw/zinc/89/42/24/1076894224.db2.gz YRILIJALABKVFL-UHFFFAOYSA-N 1 0 422.327 2.359 20 0 HEADRO CCOC(=O)N[C@H](C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)C(C)C ZINC000742898071 1076894263 /nfs/dbraw/zinc/89/42/63/1076894263.db2.gz SLLOBCFSPAWXKR-IBGZPJMESA-N 1 0 406.527 2.022 20 0 HEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)cc2)CC1 ZINC000742897772 1076894534 /nfs/dbraw/zinc/89/45/34/1076894534.db2.gz OJDQCPGOSTVRFU-XMMPIXPASA-N 1 0 423.513 2.423 20 0 HEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)C1 ZINC000742901970 1076895190 /nfs/dbraw/zinc/89/51/90/1076895190.db2.gz UANNPWCHKHTFGV-GOSISDBHSA-N 1 0 401.511 2.157 20 0 HEADRO S=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCc2ccccc2C1 ZINC000742995416 1076916215 /nfs/dbraw/zinc/91/62/15/1076916215.db2.gz MPWYXQJJAUIPJY-OAQYLSRUSA-N 1 0 424.618 2.400 20 0 HEADRO CCO[C@H](C)c1nc(CN2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)cs1 ZINC000743007194 1076923386 /nfs/dbraw/zinc/92/33/86/1076923386.db2.gz AAAYIDAQGNJENI-OAHLLOKOSA-N 1 0 411.641 2.327 20 0 HEADRO COCC(=O)Nc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1 ZINC000743089747 1076950365 /nfs/dbraw/zinc/95/03/65/1076950365.db2.gz KTQQZORPUFBXOM-UHFFFAOYSA-N 1 0 417.554 2.343 20 0 HEADRO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000743164758 1076983166 /nfs/dbraw/zinc/98/31/66/1076983166.db2.gz YZXGDKHDBUUZIL-ZIAGYGMSSA-N 1 0 420.457 2.276 20 0 HEADRO C[C@H]1CN(c2ccc(NC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc2)CCO1 ZINC000743174988 1076988972 /nfs/dbraw/zinc/98/89/72/1076988972.db2.gz BALCBFJINAAUBK-SFHVURJKSA-N 1 0 424.549 2.380 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1 ZINC000743174861 1076989554 /nfs/dbraw/zinc/98/95/54/1076989554.db2.gz VMRKQDMJDDMWIK-RBUKOAKNSA-N 1 0 403.571 2.307 20 0 HEADRO C[C@H]1CN(c2ccc(NC(=O)N(C)CC[N@H+](C)C3CCN(C)CC3)cc2)CCO1 ZINC000743179207 1076992292 /nfs/dbraw/zinc/99/22/92/1076992292.db2.gz DBVVQFQTSRWMNY-SFHVURJKSA-N 1 0 403.571 2.401 20 0 HEADRO C[C@H]1CN(c2ccc(NC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cc2)CCO1 ZINC000743180102 1076992393 /nfs/dbraw/zinc/99/23/93/1076992393.db2.gz IOCZVGLXFSFWHL-SFHVURJKSA-N 1 0 424.549 2.380 20 0 HEADRO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000743220625 1077006365 /nfs/dbraw/zinc/00/63/65/1077006365.db2.gz IROINGREQPNFSN-HOTGVXAUSA-N 1 0 404.511 2.364 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cc(N3CCOC3=O)ccc2C)CC1 ZINC000743238741 1077011558 /nfs/dbraw/zinc/01/15/58/1077011558.db2.gz DVBSKVDUKHWDRC-INIZCTEOSA-N 1 0 403.527 2.347 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC[N@@H+]1C ZINC000743238606 1077011879 /nfs/dbraw/zinc/01/18/79/1077011879.db2.gz RJDVQOHGGIYXRD-OCCSQVGLSA-N 1 0 403.932 2.368 20 0 HEADRO Cc1c(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cccc1N1CCOC1=O ZINC000743243947 1077012930 /nfs/dbraw/zinc/01/29/30/1077012930.db2.gz MQLZBCCZYJVJBX-IBGZPJMESA-N 1 0 403.527 2.345 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1nc(C2CC2)no1 ZINC000743243256 1077013146 /nfs/dbraw/zinc/01/31/46/1077013146.db2.gz VYYVXCIKKPWTTG-UHFFFAOYSA-N 1 0 400.483 2.419 20 0 HEADRO COC(=O)C1CC[NH+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000743252238 1077014726 /nfs/dbraw/zinc/01/47/26/1077014726.db2.gz RUWSTXXHNYKJLE-OALUTQOASA-N 1 0 406.523 2.368 20 0 HEADRO CNC(=O)c1nn(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(=O)c2ccccc21 ZINC000743401843 1077043361 /nfs/dbraw/zinc/04/33/61/1077043361.db2.gz CHZSXAMJEMXXAP-LJQANCHMSA-N 1 0 419.529 2.168 20 0 HEADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCc2ccc(-n3ccnc3)cc2)c1 ZINC000743401899 1077043502 /nfs/dbraw/zinc/04/35/02/1077043502.db2.gz LXPXZGVQGWWUSG-UHFFFAOYSA-N 1 0 407.474 2.068 20 0 HEADRO CCn1c(=S)n(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)nc1N1CCOCC1 ZINC000743377630 1077045137 /nfs/dbraw/zinc/04/51/37/1077045137.db2.gz RBCCRSXJGVXVOT-LJQANCHMSA-N 1 0 416.595 2.434 20 0 HEADRO COC(=O)CC[N@H+](Cn1c(=O)oc2cc(Br)ccc21)C1CCOCC1 ZINC000743404511 1077047473 /nfs/dbraw/zinc/04/74/73/1077047473.db2.gz VFGOLTYAACICRX-UHFFFAOYSA-N 1 0 413.268 2.359 20 0 HEADRO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000743414195 1077049009 /nfs/dbraw/zinc/04/90/09/1077049009.db2.gz NRQLLBFDIJOYIT-QGZVFWFLSA-N 1 0 402.539 2.344 20 0 HEADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000743485594 1077059437 /nfs/dbraw/zinc/05/94/37/1077059437.db2.gz LWBXNZFLWIYUHJ-FUHWJXTLSA-N 1 0 412.914 2.054 20 0 HEADRO CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000743550259 1077067200 /nfs/dbraw/zinc/06/72/00/1077067200.db2.gz YOIXUEBPWBZXFC-OAQYLSRUSA-N 1 0 415.582 2.207 20 0 HEADRO C[C@](O)(CNC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccco1 ZINC000743553710 1077067967 /nfs/dbraw/zinc/06/79/67/1077067967.db2.gz QHRCHKROYMLCBG-QHCPKHFHSA-N 1 0 414.550 2.384 20 0 HEADRO Cn1ccc(N2CCC[C@H](NC(=O)NC3CC[NH+](CC4CCCCC4)CC3)C2=O)n1 ZINC000743567192 1077073780 /nfs/dbraw/zinc/07/37/80/1077073780.db2.gz MZDWKKRYGYGKRJ-IBGZPJMESA-N 1 0 416.570 2.259 20 0 HEADRO Cn1ccc(N2CCC[C@@H](NC(=O)NC3CC[NH+](CC4CCCCC4)CC3)C2=O)n1 ZINC000743567194 1077073973 /nfs/dbraw/zinc/07/39/73/1077073973.db2.gz MZDWKKRYGYGKRJ-LJQANCHMSA-N 1 0 416.570 2.259 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000743620295 1077076217 /nfs/dbraw/zinc/07/62/17/1077076217.db2.gz HGIGTWBRJDUJMO-GHTZIAJQSA-N 1 0 414.550 2.291 20 0 HEADRO COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000743623498 1077076902 /nfs/dbraw/zinc/07/69/02/1077076902.db2.gz YCWYPKQFDKFTSO-HXUWFJFHSA-N 1 0 402.539 2.291 20 0 HEADRO CN(C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)OC(C)(C)C ZINC000743625619 1077082201 /nfs/dbraw/zinc/08/22/01/1077082201.db2.gz FBYFKTVSMPYZQI-HKUYNNGSSA-N 1 0 423.602 2.196 20 0 HEADRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CCOCC1 ZINC000743626784 1077082949 /nfs/dbraw/zinc/08/29/49/1077082949.db2.gz MZXNQVZZJLVUPJ-IAGOWNOFSA-N 1 0 412.575 2.480 20 0 HEADRO Cc1ccc(N2CC[C@@H](NC(=O)NCC3([NH+](C)C)Cc4ccccc4C3)C2=O)cc1 ZINC000743634449 1077083888 /nfs/dbraw/zinc/08/38/88/1077083888.db2.gz QUUOZLFMZZDBOV-OAQYLSRUSA-N 1 0 406.530 2.499 20 0 HEADRO COc1cc(OC)cc([C@H](O)CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000743634514 1077084620 /nfs/dbraw/zinc/08/46/20/1077084620.db2.gz VMHAPBCCFVZKON-OAQYLSRUSA-N 1 0 413.518 2.136 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC[N@@H+]1C ZINC000743639937 1077085570 /nfs/dbraw/zinc/08/55/70/1077085570.db2.gz ZTBLNPAEWPTBGK-VVWXKSFDSA-N 1 0 408.502 2.206 20 0 HEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000743660041 1077089032 /nfs/dbraw/zinc/08/90/32/1077089032.db2.gz NCTCUPJNNUQUHG-KZNAEPCWSA-N 1 0 411.591 2.005 20 0 HEADRO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000379555450 1077091602 /nfs/dbraw/zinc/09/16/02/1077091602.db2.gz SLHPUXPRTZVSRZ-WBVHZDCISA-N 1 0 403.589 2.474 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(N3CCOC3=O)ccc2C)CC1=O ZINC000743778096 1077109479 /nfs/dbraw/zinc/10/94/79/1077109479.db2.gz FBWMIJVXNGWXQH-AEFFLSMTSA-N 1 0 414.506 2.223 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CNC(=O)OCC(F)(F)F ZINC000743784380 1077113187 /nfs/dbraw/zinc/11/31/87/1077113187.db2.gz RVCTXHQSDVDJIP-UHFFFAOYSA-N 1 0 418.416 2.064 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(N3CCOC3=O)c2C)CC1=O ZINC000743786857 1077115674 /nfs/dbraw/zinc/11/56/74/1077115674.db2.gz RDLHUMVGUZTALO-DLBZAZTESA-N 1 0 414.506 2.223 20 0 HEADRO Cc1c[nH]c(=O)n1-c1ccc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000743764172 1077117364 /nfs/dbraw/zinc/11/73/64/1077117364.db2.gz AOEPMLHOHIFARH-HSZRJFAPSA-N 1 0 406.486 2.253 20 0 HEADRO CN(C(=O)C1CC1)c1ccccc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000743766277 1077119310 /nfs/dbraw/zinc/11/93/10/1077119310.db2.gz WFFBRBHUJBBRLQ-XMMPIXPASA-N 1 0 407.514 2.426 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000743765889 1077119853 /nfs/dbraw/zinc/11/98/53/1077119853.db2.gz DXXVCGBEOWGZSK-QHCPKHFHSA-N 1 0 417.550 2.387 20 0 HEADRO Cc1ccc(C)n1-c1c(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000743766165 1077120332 /nfs/dbraw/zinc/12/03/32/1077120332.db2.gz SMZRKOBIIKAMSK-QHCPKHFHSA-N 1 0 407.518 2.194 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000743848410 1077141423 /nfs/dbraw/zinc/14/14/23/1077141423.db2.gz OKMQIKMDKNSESS-ZCNNSNEGSA-N 1 0 417.550 2.226 20 0 HEADRO COc1ccc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1SC(F)(F)F ZINC000743847754 1077141540 /nfs/dbraw/zinc/14/15/40/1077141540.db2.gz PKQYBQKUIHBFLL-GFCCVEGCSA-N 1 0 413.487 2.312 20 0 HEADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000743855327 1077143572 /nfs/dbraw/zinc/14/35/72/1077143572.db2.gz LQKJRRPUZCRNBE-ICSRJNTNSA-N 1 0 403.523 2.214 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)C1 ZINC000743862506 1077147103 /nfs/dbraw/zinc/14/71/03/1077147103.db2.gz HYXPMLKUVSKHDJ-LAUBAEHRSA-N 1 0 414.550 2.474 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000743862881 1077149566 /nfs/dbraw/zinc/14/95/66/1077149566.db2.gz WHWGPTWCLMGGEM-GOSISDBHSA-N 1 0 422.595 2.409 20 0 HEADRO CN(C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC000743865790 1077152604 /nfs/dbraw/zinc/15/26/04/1077152604.db2.gz GSRNNNRKAVYIOZ-HOTGVXAUSA-N 1 0 408.495 2.486 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000743881993 1077169941 /nfs/dbraw/zinc/16/99/41/1077169941.db2.gz VXGQUXSGBISMGG-UHFFFAOYSA-N 1 0 402.495 2.127 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000743889219 1077184002 /nfs/dbraw/zinc/18/40/02/1077184002.db2.gz KUJTVXAGEMCJRI-UHFFFAOYSA-N 1 0 414.506 2.367 20 0 HEADRO CSCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000743912281 1077189155 /nfs/dbraw/zinc/18/91/55/1077189155.db2.gz URANLKXKVSYPRA-CRAIPNDOSA-N 1 0 420.579 2.049 20 0 HEADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000743914315 1077191913 /nfs/dbraw/zinc/19/19/13/1077191913.db2.gz NAQLIYZUMXISTF-AWEZNQCLSA-N 1 0 404.511 2.421 20 0 HEADRO Cc1c(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cccc1N1CCOC1=O ZINC000743895367 1077206853 /nfs/dbraw/zinc/20/68/53/1077206853.db2.gz MRWIFSOAEZYKCV-SFHVURJKSA-N 1 0 424.501 2.179 20 0 HEADRO Cc1c(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1N1CCOC1=O ZINC000743897290 1077208657 /nfs/dbraw/zinc/20/86/57/1077208657.db2.gz DLSULHSHURTGHL-HRCADAONSA-N 1 0 416.522 2.373 20 0 HEADRO O=C(Nc1ccc(N2CCSCC2)cc1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000743907842 1077223007 /nfs/dbraw/zinc/22/30/07/1077223007.db2.gz ZFXVISVXSIAPDW-IBGZPJMESA-N 1 0 402.564 2.265 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1 ZINC000743942111 1077236171 /nfs/dbraw/zinc/23/61/71/1077236171.db2.gz AWIINIXOHUDGSE-QGZVFWFLSA-N 1 0 402.539 2.088 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000743942806 1077237140 /nfs/dbraw/zinc/23/71/40/1077237140.db2.gz JQLQJXHBCMMYDV-ROUUACIJSA-N 1 0 416.566 2.477 20 0 HEADRO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000743943117 1077237612 /nfs/dbraw/zinc/23/76/12/1077237612.db2.gz WGOITSRLLLHKRY-INIZCTEOSA-N 1 0 420.966 2.304 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCc2coc(-c3ccccc3)n2)CC1 ZINC000743928052 1077252621 /nfs/dbraw/zinc/25/26/21/1077252621.db2.gz ULXOBZOWDPVSEX-UHFFFAOYSA-N 1 0 419.485 2.348 20 0 HEADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](SC)C3)cc2)CC1 ZINC000743968791 1077273069 /nfs/dbraw/zinc/27/30/69/1077273069.db2.gz SMDLYDODZOYPSY-RBUKOAKNSA-N 1 0 404.580 2.163 20 0 HEADRO COc1ccccc1C[C@@H](C)N(C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000743968976 1077274089 /nfs/dbraw/zinc/27/40/89/1077274089.db2.gz ADYZFYFTLADRHQ-GOSISDBHSA-N 1 0 424.545 2.475 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)C1 ZINC000743972597 1077275254 /nfs/dbraw/zinc/27/52/54/1077275254.db2.gz RIVVABZDXXGRAG-HXUWFJFHSA-N 1 0 422.485 2.315 20 0 HEADRO CSCCc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000743947476 1077276939 /nfs/dbraw/zinc/27/69/39/1077276939.db2.gz PYIGYXOFZKZJRQ-LJQANCHMSA-N 1 0 405.564 2.290 20 0 HEADRO COc1ccc(OC(C)C)c(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000743947956 1077277935 /nfs/dbraw/zinc/27/79/35/1077277935.db2.gz ASHFYAOCGGBRII-GOSISDBHSA-N 1 0 419.522 2.181 20 0 HEADRO CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743948199 1077277993 /nfs/dbraw/zinc/27/79/93/1077277993.db2.gz YOXUYAQHZWKECZ-QGZVFWFLSA-N 1 0 407.486 2.311 20 0 HEADRO CCN(c1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1)C(C)C ZINC000743949014 1077278699 /nfs/dbraw/zinc/27/86/99/1077278699.db2.gz ACEHPQCONZKCGM-GOSISDBHSA-N 1 0 416.566 2.477 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000743951513 1077280041 /nfs/dbraw/zinc/28/00/41/1077280041.db2.gz FXNXJACJKIBTCC-RBUKOAKNSA-N 1 0 414.550 2.185 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)C1 ZINC000743988615 1077281391 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COC(=O)CC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCOCC1 ZINC000744425762 1077388927 /nfs/dbraw/zinc/38/89/27/1077388927.db2.gz BJAQXJJLRHWASU-UHFFFAOYSA-N 1 0 424.295 2.001 20 0 HEADRO C[C@@]1(c2ccccc2F)NC(=O)N(CN2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744440864 1077395705 /nfs/dbraw/zinc/39/57/05/1077395705.db2.gz IGAKZFQTCITUAG-QFIPXVFZSA-N 1 0 418.513 2.127 20 0 HEADRO Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NC3CC[NH+](C(C)C)CC3)CC2=O)cc1F ZINC000744498140 1077417543 /nfs/dbraw/zinc/41/75/43/1077417543.db2.gz ROXXJNKVXXVYFN-INIZCTEOSA-N 1 0 419.497 2.019 20 0 HEADRO Cc1cc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c2cnn(C(C)C)c2n1 ZINC000744623897 1077521937 /nfs/dbraw/zinc/52/19/37/1077521937.db2.gz AHQUVDXPNNQAAA-UHFFFAOYSA-N 1 0 401.511 2.466 20 0 HEADRO C[C@@H]1CC[N@H+](CCNC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000744798887 1077597536 /nfs/dbraw/zinc/59/75/36/1077597536.db2.gz PYYNHNCBUZRCPP-CFINBHSISA-N 1 0 405.564 2.157 20 0 HEADRO Cc1cc(C)cc(N2CC[C@H](C(=O)OCC(=O)NC3CC[NH+](C(C)C)CC3)C2=O)c1 ZINC000744848434 1077632687 /nfs/dbraw/zinc/63/26/87/1077632687.db2.gz CFDDZYAKUNHLCL-FQEVSTJZSA-N 1 0 415.534 2.189 20 0 HEADRO CC(C)COC(=O)N1CCC(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000744920320 1077667481 /nfs/dbraw/zinc/66/74/81/1077667481.db2.gz CPHLAFCYYBWDMI-UHFFFAOYSA-N 1 0 411.543 2.023 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000745043356 1077716397 /nfs/dbraw/zinc/71/63/97/1077716397.db2.gz ADGZLBLBSQCCKU-KRWDZBQOSA-N 1 0 413.312 2.015 20 0 HEADRO CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000745088403 1077725212 /nfs/dbraw/zinc/72/52/12/1077725212.db2.gz NKTWPNJVRSYFHB-TYPHKJRUSA-N 1 0 401.551 2.429 20 0 HEADRO COCCOC(=O)c1sc2[nH]c(C[NH2+][C@@H]3C[C@](C)(OC)C3(C)C)nc(=O)c2c1C ZINC000745222020 1077781290 /nfs/dbraw/zinc/78/12/90/1077781290.db2.gz SCLWAKBLOXLFIK-ODXCJYRJSA-N 1 0 423.535 2.389 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000745239652 1077785546 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1 0 421.925 2.225 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000745431919 1077824312 /nfs/dbraw/zinc/82/43/12/1077824312.db2.gz HKINTJWYQIMQQZ-SFHVURJKSA-N 1 0 421.925 2.225 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000771783459 1079503718 /nfs/dbraw/zinc/50/37/18/1079503718.db2.gz CKOXEIRTDAYLCG-HNNXBMFYSA-N 1 0 400.397 2.393 20 0 HEADRO COC(=O)C1=NOC2(C1)CCN(Cc1nc(-c3ccc(OC)cc3OC)no1)CC2 ZINC000771783458 1079503850 /nfs/dbraw/zinc/50/38/50/1079503850.db2.gz CIGYXQYRWIZJHS-UHFFFAOYSA-N 1 0 416.434 2.038 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)C[C@H]1C(=O)N1CCSC1 ZINC001170031794 1079507654 /nfs/dbraw/zinc/50/76/54/1079507654.db2.gz AFGHFZJNJKNMPY-WCXIOVBPSA-N 1 0 413.584 2.038 20 0 HEADRO CCOC(=O)N1CCC[C@H](C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000804343823 1079511605 /nfs/dbraw/zinc/51/16/05/1079511605.db2.gz BGWAMJGEKBTHKY-NRFANRHFSA-N 1 0 416.566 2.131 20 0 HEADRO CC[NH+](CC)CC1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)CC1 ZINC000771761937 1079516121 /nfs/dbraw/zinc/51/61/21/1079516121.db2.gz LTTRGCNHGKZNLX-UHFFFAOYSA-N 1 0 411.568 2.296 20 0 HEADRO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766956564 1079520257 /nfs/dbraw/zinc/52/02/57/1079520257.db2.gz NUCGUOONZAKDFV-QKYXUNIQSA-N 1 0 414.506 2.430 20 0 HEADRO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766959316 1079522345 /nfs/dbraw/zinc/52/23/45/1079522345.db2.gz FCFAXZRMWFMNNR-QIJUGHKUSA-N 1 0 411.550 2.045 20 0 HEADRO COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)C2=O)c1 ZINC000766961539 1079524741 /nfs/dbraw/zinc/52/47/41/1079524741.db2.gz QTOUKJBFBHQPLV-ORYQWCPZSA-N 1 0 414.506 2.131 20 0 HEADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCCOc2ccc(S(C)(=O)=O)cc2)cn1 ZINC000766943706 1079530552 /nfs/dbraw/zinc/53/05/52/1079530552.db2.gz BRVVTWVQTUYKKK-FXAWDEMLSA-N 1 0 407.536 2.181 20 0 HEADRO 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CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000768146830 1080353404 /nfs/dbraw/zinc/35/34/04/1080353404.db2.gz RQMFPCVWQUZKLD-UHFFFAOYSA-N 1 0 403.708 2.379 20 0 HEADRO C[N@@H+]1CCCN(CCCNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000768134413 1080366337 /nfs/dbraw/zinc/36/63/37/1080366337.db2.gz JXHDCNHVLSTIEQ-OAQYLSRUSA-N 1 0 416.566 2.179 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC([C@@H]4CCCO4)CC3)cc2)CC1 ZINC000786005322 1080368278 /nfs/dbraw/zinc/36/82/78/1080368278.db2.gz WZJCJEVFXQJYLK-NRFANRHFSA-N 1 0 414.550 2.185 20 0 HEADRO CC1CC[NH+](C2CCC(NC(=O)C(=O)NCc3ccc(-n4ccnc4)nc3)CC2)CC1 ZINC000786005988 1080369223 /nfs/dbraw/zinc/36/92/23/1080369223.db2.gz GCYUCMRJRCVOPP-UHFFFAOYSA-N 1 0 424.549 2.043 20 0 HEADRO CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[C@@H]1C ZINC000786005842 1080369348 /nfs/dbraw/zinc/36/93/48/1080369348.db2.gz XTQKICALWJYWJD-LAUBAEHRSA-N 1 0 416.566 2.287 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC(C)(C)OC(C)(C)C3)cc2)CC1 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UPVCHLMBOQMYMP-QUCCMNQESA-N 1 0 419.529 2.305 20 0 HEADRO O=C(COC(=O)CC1([NH+]2CCOCC2)CCCC1)NCCOc1cccc(Cl)c1 ZINC000786099075 1080395328 /nfs/dbraw/zinc/39/53/28/1080395328.db2.gz GWLWMHDNQGUTEI-UHFFFAOYSA-N 1 0 424.925 2.413 20 0 HEADRO C[C@@H]1CN(C(=O)C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)C[C@H](C)O1 ZINC000786108591 1080402036 /nfs/dbraw/zinc/40/20/36/1080402036.db2.gz PVJJEJNPZQFBDU-HDICACEKSA-N 1 0 403.523 2.261 20 0 HEADRO CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)CC1 ZINC000786112271 1080404995 /nfs/dbraw/zinc/40/49/95/1080404995.db2.gz GZCMXTAKYZBXBH-IBGZPJMESA-N 1 0 416.566 2.177 20 0 HEADRO C[C@H]([NH2+]CCNC(=O)c1cccs1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768195471 1080411314 /nfs/dbraw/zinc/41/13/14/1080411314.db2.gz CKZMALSZIYPPIN-WMZOPIPTSA-N 1 0 417.531 2.494 20 0 HEADRO CN(C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000786142795 1080418004 /nfs/dbraw/zinc/41/80/04/1080418004.db2.gz CTXFUEDHYYFVAU-BEFAXECRSA-N 1 0 406.477 2.085 20 0 HEADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2cccc(Br)n2)c1 ZINC000786144165 1080420567 /nfs/dbraw/zinc/42/05/67/1080420567.db2.gz KAWPVLDNKNVSKO-UHFFFAOYSA-N 1 0 420.311 2.457 20 0 HEADRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768224911 1080429309 /nfs/dbraw/zinc/42/93/09/1080429309.db2.gz UWESXQPCAUTYJZ-AZUAARDMSA-N 1 0 405.539 2.113 20 0 HEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000768225046 1080430045 /nfs/dbraw/zinc/43/00/45/1080430045.db2.gz BYIRSUHDFSHBGW-HUUCEWRRSA-N 1 0 418.513 2.235 20 0 HEADRO C[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768252852 1080441292 /nfs/dbraw/zinc/44/12/92/1080441292.db2.gz PRPRSXPZRNCOEA-VGOFRKELSA-N 1 0 423.513 2.488 20 0 HEADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000786125910 1080441923 /nfs/dbraw/zinc/44/19/23/1080441923.db2.gz LKLRIIRXSPQLNV-UHFFFAOYSA-N 1 0 403.504 2.226 20 0 HEADRO C[C@@H]1CCC[C@](CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC000768266156 1080450778 /nfs/dbraw/zinc/45/07/78/1080450778.db2.gz UNRBECLTUGXNIS-UZLBHIALSA-N 1 0 400.564 2.026 20 0 HEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000768293495 1080466099 /nfs/dbraw/zinc/46/60/99/1080466099.db2.gz BZLIREWSQAAABS-SFTDATJTSA-N 1 0 417.550 2.388 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)n2)CC1 ZINC000786199662 1080468982 /nfs/dbraw/zinc/46/89/82/1080468982.db2.gz IEZZLTONCXXVIA-CYBMUJFWSA-N 1 0 403.405 2.252 20 0 HEADRO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000786207338 1080472749 /nfs/dbraw/zinc/47/27/49/1080472749.db2.gz WRPCFJZXANDCHP-MKXGPGLRSA-N 1 0 408.587 2.116 20 0 HEADRO C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000786172812 1080478369 /nfs/dbraw/zinc/47/83/69/1080478369.db2.gz CSQRHEOCWFWPOB-HZPDHXFCSA-N 1 0 413.559 2.364 20 0 HEADRO C[NH+](C)CCc1ccc(CNC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000786251590 1080490343 /nfs/dbraw/zinc/49/03/43/1080490343.db2.gz NMMABPQRBFZVQI-VQTJNVASSA-N 1 0 401.507 2.418 20 0 HEADRO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000768319449 1080507050 /nfs/dbraw/zinc/50/70/50/1080507050.db2.gz GRAXHPHOFGFMTL-HXUWFJFHSA-N 1 0 417.550 2.340 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@]3(C)CCO[C@H]3C3CC3)cc2)CC1 ZINC000768358567 1080511224 /nfs/dbraw/zinc/51/12/24/1080511224.db2.gz ALLLUANLHHKDFK-NZQKXSOJSA-N 1 0 414.550 2.088 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000786271189 1080520515 /nfs/dbraw/zinc/52/05/15/1080520515.db2.gz VMGIAJWLVUGAFO-CALCHBBNSA-N 1 0 403.523 2.215 20 0 HEADRO CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@@]3(O)CCc4ccccc4C3)cc2)CC1 ZINC000786284358 1080530127 /nfs/dbraw/zinc/53/01/27/1080530127.db2.gz CLLHYIQJTSXTSH-RUZDIDTESA-N 1 0 421.541 2.252 20 0 HEADRO C[C@H](NC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)C1=CC[N@H+](C)CC1 ZINC000768413126 1080530937 /nfs/dbraw/zinc/53/09/37/1080530937.db2.gz KZFMJZJDNORQKD-MIGBEJBISA-N 1 0 405.539 2.215 20 0 HEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000768398653 1080543598 /nfs/dbraw/zinc/54/35/98/1080543598.db2.gz UVVBZDWGBIVZCD-UHFFFAOYSA-N 1 0 420.517 2.047 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000786305302 1080547466 /nfs/dbraw/zinc/54/74/66/1080547466.db2.gz DWOYLYZFZXJPAV-LJQANCHMSA-N 1 0 401.507 2.208 20 0 HEADRO CS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000768426873 1080547790 /nfs/dbraw/zinc/54/77/90/1080547790.db2.gz SLSFSYUZYUKPLV-QGZVFWFLSA-N 1 0 420.506 2.116 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000786267031 1080549189 /nfs/dbraw/zinc/54/91/89/1080549189.db2.gz DVVAOVOCGDCVGU-LJQANCHMSA-N 1 0 415.465 2.289 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000786266319 1080549501 /nfs/dbraw/zinc/54/95/01/1080549501.db2.gz AOBOMDBQRRVOIF-FQEVSTJZSA-N 1 0 409.486 2.121 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000786266321 1080549515 /nfs/dbraw/zinc/54/95/15/1080549515.db2.gz AOBOMDBQRRVOIF-HXUWFJFHSA-N 1 0 409.486 2.121 20 0 HEADRO CC[N@H+](CCn1ccnc1)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170056314 1080550232 /nfs/dbraw/zinc/55/02/32/1080550232.db2.gz QMNNROVIOABHMD-IRXDYDNUSA-N 1 0 423.583 2.116 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@@H](C)c3c(C)n[nH]c3C)cc2)CC1 ZINC000786321237 1080561775 /nfs/dbraw/zinc/56/17/75/1080561775.db2.gz GLJSRHMBVBLQQE-HNNXBMFYSA-N 1 0 413.522 2.454 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000786329982 1080564667 /nfs/dbraw/zinc/56/46/67/1080564667.db2.gz ACKWZCAEMKXNNB-ZWKOTPCHSA-N 1 0 424.586 2.175 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000786332297 1080566261 /nfs/dbraw/zinc/56/62/61/1080566261.db2.gz UDVPGXZTVLEPLS-KRWDZBQOSA-N 1 0 424.586 2.129 20 0 HEADRO CO[C@@H]1CC[N@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC001170056990 1080570813 /nfs/dbraw/zinc/57/08/13/1080570813.db2.gz ULNWCTZTAPWRQD-NXOAAHMSSA-N 1 0 413.584 2.397 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000786386802 1080581022 /nfs/dbraw/zinc/58/10/22/1080581022.db2.gz CQXRLRUOJQRKMX-YLJYHZDGSA-N 1 0 413.518 2.206 20 0 HEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC001626111551 1080587145 /nfs/dbraw/zinc/58/71/45/1080587145.db2.gz OXDNTNGWEKBGLU-LBPRGKRZSA-N 1 0 403.342 2.314 20 0 HEADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000786403556 1080587536 /nfs/dbraw/zinc/58/75/36/1080587536.db2.gz WUQPGBGYYWBKKV-UHFFFAOYSA-N 1 0 407.396 2.467 20 0 HEADRO COc1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc(OC)c1OCC(N)=O ZINC000768530272 1080612870 /nfs/dbraw/zinc/61/28/70/1080612870.db2.gz GVYGAQCIHODAGX-UHFFFAOYSA-N 1 0 400.475 2.052 20 0 HEADRO CC(C)COC(=O)N1CCC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000768577340 1080641778 /nfs/dbraw/zinc/64/17/78/1080641778.db2.gz FPJFVGFWTGFOII-UXHICEINSA-N 1 0 409.571 2.375 20 0 HEADRO CS(=O)(=O)c1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1Cl ZINC000768579411 1080644627 /nfs/dbraw/zinc/64/46/27/1080644627.db2.gz IQFUIAVAVVBGAE-SJORKVTESA-N 1 0 414.955 2.241 20 0 HEADRO CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000768647008 1080696751 /nfs/dbraw/zinc/69/67/51/1080696751.db2.gz HPHXCFKBJUUMBM-UHFFFAOYSA-N 1 0 400.479 2.206 20 0 HEADRO CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000746593314 1080707294 /nfs/dbraw/zinc/70/72/94/1080707294.db2.gz FGSPZGWOOFSOGG-FDDCHVKYSA-N 1 0 423.517 2.413 20 0 HEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C3CC(C(F)F)C3)CC2)cc1OC ZINC000768693132 1080712069 /nfs/dbraw/zinc/71/20/69/1080712069.db2.gz WHWVENUNROLILA-UHFFFAOYSA-N 1 0 404.479 2.490 20 0 HEADRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000786619943 1080714505 /nfs/dbraw/zinc/71/45/05/1080714505.db2.gz MEBRASDREIJSMI-INIZCTEOSA-N 1 0 400.910 2.474 20 0 HEADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000786623449 1080717782 /nfs/dbraw/zinc/71/77/82/1080717782.db2.gz AKFFZMOBKPEVBE-UFYCRDLUSA-N 1 0 408.631 2.343 20 0 HEADRO CC(C)c1nnc2n1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1)[C@H]2C ZINC000786630937 1080726452 /nfs/dbraw/zinc/72/64/52/1080726452.db2.gz YMFUOQITRKDGCW-ZWKOTPCHSA-N 1 0 418.586 2.322 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cnn(-c4ccccc4Cl)c3)CC[C@@H]21 ZINC000768734721 1080760972 /nfs/dbraw/zinc/76/09/72/1080760972.db2.gz IULCMZBJTBVTCQ-YOEHRIQHSA-N 1 0 401.898 2.407 20 0 HEADRO CN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000786709413 1080764886 /nfs/dbraw/zinc/76/48/86/1080764886.db2.gz XOFYTECSNAEBAC-LJQANCHMSA-N 1 0 410.522 2.415 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)c3cccc(C)c3)c(C)c2)CC1 ZINC000768742080 1080766317 /nfs/dbraw/zinc/76/63/17/1080766317.db2.gz TVZJCBOKCFCFCK-JOCHJYFZSA-N 1 0 424.545 2.234 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000786718771 1080774777 /nfs/dbraw/zinc/77/47/77/1080774777.db2.gz NFTBDMZFMFHVKN-SJORKVTESA-N 1 0 411.572 2.105 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000786732985 1080782293 /nfs/dbraw/zinc/78/22/93/1080782293.db2.gz UAXUJJUUXZRMJY-SJLPKXTDSA-N 1 0 423.583 2.107 20 0 HEADRO C[NH+](C)[C@H](CNC(=S)NCCN1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000768783620 1080796533 /nfs/dbraw/zinc/79/65/33/1080796533.db2.gz FNTAPGXSFGUCNE-MRXNPFEDSA-N 1 0 404.502 2.104 20 0 HEADRO CC1(C)CC([N@@H+]2C[C@@H](NC(=O)c3cccnc3)[C@@H]3OCCC[C@@H]32)CC(C)(C)N1O ZINC001169996069 1080798635 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RMCCTPQCYSEGHO-UHFFFAOYSA-N 1 0 409.530 2.305 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000768902504 1080840457 /nfs/dbraw/zinc/84/04/57/1080840457.db2.gz VFDHSOYSEPLVIM-HOTGVXAUSA-N 1 0 400.976 2.265 20 0 HEADRO O=C(COC(=O)CC[N@@H+]1CCc2ccccc2C1)NCCN1CCc2ccccc21 ZINC000786813938 1080840510 /nfs/dbraw/zinc/84/05/10/1080840510.db2.gz BABFWBRRVJNILO-UHFFFAOYSA-N 1 0 407.514 2.157 20 0 HEADRO C[C@H](OC(=O)CC[N@@H+]1CCc2ccccc2C1)C(=O)NC(=O)NCc1ccccc1 ZINC000786815695 1080841561 /nfs/dbraw/zinc/84/15/61/1080841561.db2.gz SJWGLUIYSIVTNQ-KRWDZBQOSA-N 1 0 409.486 2.393 20 0 HEADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C[C@H](O)c2cccc(F)c2)CC1 ZINC000772689524 1080843523 /nfs/dbraw/zinc/84/35/23/1080843523.db2.gz NZZMULDOLFTBRR-FQEVSTJZSA-N 1 0 407.530 2.336 20 0 HEADRO C[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786822072 1080845420 /nfs/dbraw/zinc/84/54/20/1080845420.db2.gz SNXDIZLJYSPNNF-PEBXRYMYSA-N 1 0 407.474 2.122 20 0 HEADRO CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)OC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000786824165 1080846313 /nfs/dbraw/zinc/84/63/13/1080846313.db2.gz DWTYIAOCFAXIAN-PXNSSMCTSA-N 1 0 416.518 2.168 20 0 HEADRO C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000768920176 1080858105 /nfs/dbraw/zinc/85/81/05/1080858105.db2.gz UQIDXUDOKBOWAN-SIKLNZKXSA-N 1 0 405.498 2.112 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000768924560 1080860693 /nfs/dbraw/zinc/86/06/93/1080860693.db2.gz VSBMMXPMEWRMHH-GOSISDBHSA-N 1 0 419.570 2.411 20 0 HEADRO CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000786878102 1080866292 /nfs/dbraw/zinc/86/62/92/1080866292.db2.gz GDVNYCSPXFDOIV-HXUWFJFHSA-N 1 0 421.582 2.338 20 0 HEADRO O=C(Nc1ccc(-n2nccn2)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000768967532 1080868874 /nfs/dbraw/zinc/86/88/74/1080868874.db2.gz NFHKZBUEPAOQFV-NQIIRXRSSA-N 1 0 406.490 2.272 20 0 HEADRO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC001169997790 1080870621 /nfs/dbraw/zinc/87/06/21/1080870621.db2.gz BLXUJFSRJUSUQL-IOMROCGXSA-N 1 0 401.507 2.029 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000768987555 1080876709 /nfs/dbraw/zinc/87/67/09/1080876709.db2.gz FILPCHAHSIOIRJ-RTBURBONSA-N 1 0 402.495 2.451 20 0 HEADRO Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1N1C(=O)CCC1=O ZINC000768992336 1080878536 /nfs/dbraw/zinc/87/85/36/1080878536.db2.gz VWYFLRXSFYXJAS-OALUTQOASA-N 1 0 414.506 2.148 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC001169997896 1080878969 /nfs/dbraw/zinc/87/89/69/1080878969.db2.gz HCEMCOUJFLLQHV-UHFFFAOYSA-N 1 0 412.534 2.391 20 0 HEADRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786911534 1080880427 /nfs/dbraw/zinc/88/04/27/1080880427.db2.gz ALNVLUDWXMVRAI-XMSQKQJNSA-N 1 0 422.529 2.337 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000768956612 1080882688 /nfs/dbraw/zinc/88/26/88/1080882688.db2.gz OMZMPPSSFUJODU-DZGCQCFKSA-N 1 0 415.353 2.409 20 0 HEADRO C[C@H](OC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000786880409 1080884053 /nfs/dbraw/zinc/88/40/53/1080884053.db2.gz PTUHNJLZUZOGLV-JQHSSLGASA-N 1 0 402.491 2.281 20 0 HEADRO CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000768961612 1080884100 /nfs/dbraw/zinc/88/41/00/1080884100.db2.gz BLKZINDFBQQXGO-ZWKOTPCHSA-N 1 0 412.575 2.263 20 0 HEADRO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000786882208 1080885214 /nfs/dbraw/zinc/88/52/14/1080885214.db2.gz NKJMHDYDXKCLDL-HXUWFJFHSA-N 1 0 403.498 2.425 20 0 HEADRO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000786883936 1080885668 /nfs/dbraw/zinc/88/56/68/1080885668.db2.gz RVFXYIRGISSGFE-MRXNPFEDSA-N 1 0 417.462 2.056 20 0 HEADRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000769022850 1080887540 /nfs/dbraw/zinc/88/75/40/1080887540.db2.gz GQRIOLSIRLNQBW-KRWDZBQOSA-N 1 0 418.538 2.387 20 0 HEADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000769029646 1080890119 /nfs/dbraw/zinc/89/01/19/1080890119.db2.gz YAHLOCLONYORJL-SFHVURJKSA-N 1 0 407.511 2.360 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000769044254 1080893308 /nfs/dbraw/zinc/89/33/08/1080893308.db2.gz XERMPUQSKYMRDS-LJQANCHMSA-N 1 0 404.555 2.395 20 0 HEADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000769048211 1080894476 /nfs/dbraw/zinc/89/44/76/1080894476.db2.gz ZGNCGGQCLRLPRK-INIZCTEOSA-N 1 0 408.495 2.476 20 0 HEADRO CCCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)C2 ZINC001109415447 1080897780 /nfs/dbraw/zinc/89/77/80/1080897780.db2.gz UQFUWJLOABETLG-SWBPCFCJSA-N 1 0 404.555 2.426 20 0 HEADRO CCN1CC[NH+](CCCCNC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000786938361 1080898650 /nfs/dbraw/zinc/89/86/50/1080898650.db2.gz DRQYCAKOXXZWTE-SFHVURJKSA-N 1 0 400.926 2.229 20 0 HEADRO C[N@H+](CCOC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000769095875 1080904829 /nfs/dbraw/zinc/90/48/29/1080904829.db2.gz QWPYODPTRDYXQM-VQTJNVASSA-N 1 0 418.440 2.215 20 0 HEADRO C[NH+](C)Cc1cccc(CNC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000769098108 1080908595 /nfs/dbraw/zinc/90/85/95/1080908595.db2.gz CWUIZKOYGAXUEI-UHFFFAOYSA-N 1 0 404.555 2.354 20 0 HEADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000746622287 1080925855 /nfs/dbraw/zinc/92/58/55/1080925855.db2.gz BCZUKPQEPAYXHO-OAHLLOKOSA-N 1 0 409.534 2.448 20 0 HEADRO COC(=O)CC(C)(C)C(=O)O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000769128080 1080947381 /nfs/dbraw/zinc/94/73/81/1080947381.db2.gz WIRDBIGDYWZEBY-INIZCTEOSA-N 1 0 404.507 2.288 20 0 HEADRO C[N@H+](CCOC(=O)c1nccc2c1cccc2S(N)(=O)=O)Cc1ccc(F)cc1 ZINC000769131608 1080949738 /nfs/dbraw/zinc/94/97/38/1080949738.db2.gz OPYLSIPXMRQLFT-UHFFFAOYSA-N 1 0 417.462 2.310 20 0 HEADRO Cc1noc(C)c1CCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769138889 1080955205 /nfs/dbraw/zinc/95/52/05/1080955205.db2.gz KZMZEQHVQAUDME-CTNGQTDRSA-N 1 0 400.523 2.406 20 0 HEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769147513 1080961536 /nfs/dbraw/zinc/96/15/36/1080961536.db2.gz OYFMHQKGQHMNOZ-KURKYZTESA-N 1 0 410.603 2.458 20 0 HEADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000769192070 1080965338 /nfs/dbraw/zinc/96/53/38/1080965338.db2.gz CGPXSOLBTHNYLK-KRWDZBQOSA-N 1 0 407.559 2.491 20 0 HEADRO CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192196 1080967858 /nfs/dbraw/zinc/96/78/58/1080967858.db2.gz HZXBFZIMKGEUDK-GOSISDBHSA-N 1 0 418.538 2.498 20 0 HEADRO Cc1cccn2c(C[N@@H+]3CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)cnc12 ZINC000769192625 1080967921 /nfs/dbraw/zinc/96/79/21/1080967921.db2.gz MTFVWHBEOGDGOM-QGZVFWFLSA-N 1 0 415.538 2.496 20 0 HEADRO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000769163060 1080980954 /nfs/dbraw/zinc/98/09/54/1080980954.db2.gz RLQTWHWSNJPTQI-OALUTQOASA-N 1 0 413.522 2.245 20 0 HEADRO CN(CCCNC(=O)OC(C)(C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000769166737 1080983223 /nfs/dbraw/zinc/98/32/23/1080983223.db2.gz OPGKDWLEUQYFEE-ROUUACIJSA-N 1 0 412.575 2.311 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000787081664 1080984539 /nfs/dbraw/zinc/98/45/39/1080984539.db2.gz XUERQMDVOKRKRO-GOSISDBHSA-N 1 0 421.904 2.159 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000769168644 1080985605 /nfs/dbraw/zinc/98/56/05/1080985605.db2.gz VUSMTTGNJQLPFN-OALUTQOASA-N 1 0 424.586 2.453 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000769168642 1080985725 /nfs/dbraw/zinc/98/57/25/1080985725.db2.gz VUSMTTGNJQLPFN-MOPGFXCFSA-N 1 0 424.586 2.453 20 0 HEADRO C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170001062 1080990025 /nfs/dbraw/zinc/99/00/25/1080990025.db2.gz HTALIATZBGPDHI-KRWDZBQOSA-N 1 0 404.603 2.418 20 0 HEADRO [NH3+]CCN(c1[nH]c2coc(=O)c-2cc1Cl)S(=O)(=O)c1cccc2cnccc21 ZINC001170067211 1081002672 /nfs/dbraw/zinc/00/26/72/1081002672.db2.gz ZUHDSCSKNTYBLL-UHFFFAOYSA-N 1 0 418.862 2.108 20 0 HEADRO C[C@H](CNC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000769207516 1081002668 /nfs/dbraw/zinc/00/26/68/1081002668.db2.gz TUJMSUIKCKEMLU-XLIONFOSSA-N 1 0 416.566 2.273 20 0 HEADRO CCc1ccc(C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000787110532 1081004277 /nfs/dbraw/zinc/00/42/77/1081004277.db2.gz WAAYGQWVNOYCJA-OAQYLSRUSA-N 1 0 415.578 2.402 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N(Cc1ccccc1F)C1CC1 ZINC000787110200 1081004360 /nfs/dbraw/zinc/00/43/60/1081004360.db2.gz ZFSHLBPDWMKSEU-IBGZPJMESA-N 1 0 403.498 2.076 20 0 HEADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC000769222564 1081006990 /nfs/dbraw/zinc/00/69/90/1081006990.db2.gz NLDQPLMCAPXNGZ-UHFFFAOYSA-N 1 0 400.527 2.497 20 0 HEADRO CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787117544 1081007012 /nfs/dbraw/zinc/00/70/12/1081007012.db2.gz QZUXRULJWNOXMW-IBGZPJMESA-N 1 0 407.942 2.448 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000787120184 1081008940 /nfs/dbraw/zinc/00/89/40/1081008940.db2.gz BDTAJHNUXTXLIB-NRFANRHFSA-N 1 0 417.525 2.291 20 0 HEADRO O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787121228 1081009615 /nfs/dbraw/zinc/00/96/15/1081009615.db2.gz FAQFGCWVAFTMEA-NNWRFLSQSA-N 1 0 413.562 2.274 20 0 HEADRO C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCOc2ccccc2)O1 ZINC001109442774 1081010540 /nfs/dbraw/zinc/01/05/40/1081010540.db2.gz GPBKKHVMQVKYOI-OPNZPCBVSA-N 1 0 401.551 2.286 20 0 HEADRO C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCOCc2ccccc2)O1 ZINC001109443091 1081010620 /nfs/dbraw/zinc/01/06/20/1081010620.db2.gz VJWFIZOMPDOJGE-MBMVPVEPSA-N 1 0 401.551 2.034 20 0 HEADRO CC1(C)CC([N@@H+]2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)CC(C)(C)N1O ZINC001170001896 1081011380 /nfs/dbraw/zinc/01/13/80/1081011380.db2.gz MCPDHXAFIVIZLW-XMSQKQJNSA-N 1 0 409.571 2.127 20 0 HEADRO O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787099510 1081012244 /nfs/dbraw/zinc/01/22/44/1081012244.db2.gz ACMFTNXMIWDRRK-YYWHXJBOSA-N 1 0 417.525 2.338 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000787101809 1081013215 /nfs/dbraw/zinc/01/32/15/1081013215.db2.gz FHDWJYDMBJGUBQ-QGZVFWFLSA-N 1 0 421.488 2.215 20 0 HEADRO C[NH+](C)[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000746637805 1081013932 /nfs/dbraw/zinc/01/39/32/1081013932.db2.gz SSBKNODTYKANNX-OALUTQOASA-N 1 0 413.909 2.179 20 0 HEADRO CCCOc1ccc(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000787104201 1081015270 /nfs/dbraw/zinc/01/52/70/1081015270.db2.gz IPDOBZKBQXKOLK-NRFANRHFSA-N 1 0 417.550 2.160 20 0 HEADRO CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000787105786 1081015962 /nfs/dbraw/zinc/01/59/62/1081015962.db2.gz ICVQCTBKVHRCBX-UWJYYQICSA-N 1 0 417.550 2.411 20 0 HEADRO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787106202 1081018054 /nfs/dbraw/zinc/01/80/54/1081018054.db2.gz NDVLQZKBIJIOMC-PLMTUMEDSA-N 1 0 417.525 2.290 20 0 HEADRO CC(C)(CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000787106088 1081018118 /nfs/dbraw/zinc/01/81/18/1081018118.db2.gz MNYWTMILNYJZQM-LJQANCHMSA-N 1 0 421.969 2.493 20 0 HEADRO CC(C)(CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000787106087 1081018257 /nfs/dbraw/zinc/01/82/57/1081018257.db2.gz MNYWTMILNYJZQM-IBGZPJMESA-N 1 0 421.969 2.493 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1ncn(CCc2ccccn2)c1=S ZINC000746648506 1081020182 /nfs/dbraw/zinc/02/01/82/1081020182.db2.gz KGHQSCIVYPUXMC-GUDVDZBRSA-N 1 0 402.568 2.193 20 0 HEADRO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787135920 1081021441 /nfs/dbraw/zinc/02/14/41/1081021441.db2.gz FFSLXHNNXRBSIT-OXQOHEQNSA-N 1 0 421.969 2.489 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000787135617 1081021833 /nfs/dbraw/zinc/02/18/33/1081021833.db2.gz CBEOCPUWTSNIMW-FGZHOGPDSA-N 1 0 413.562 2.370 20 0 HEADRO O=C(NCC1(c2ccc(Cl)cc2)CC1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787135611 1081022016 /nfs/dbraw/zinc/02/20/16/1081022016.db2.gz BWDNYICKJMIZEV-IBGZPJMESA-N 1 0 419.953 2.247 20 0 HEADRO Cc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787136299 1081022645 /nfs/dbraw/zinc/02/26/45/1081022645.db2.gz GJYWGIHDGRZKLI-FCHUYYIVSA-N 1 0 413.562 2.288 20 0 HEADRO Cc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787136301 1081022789 /nfs/dbraw/zinc/02/27/89/1081022789.db2.gz GJYWGIHDGRZKLI-VXKWHMMOSA-N 1 0 413.562 2.288 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000787141499 1081025383 /nfs/dbraw/zinc/02/53/83/1081025383.db2.gz VNAPNLZHBITEQB-UNMCSNQZSA-N 1 0 413.562 2.227 20 0 HEADRO COc1ccc([C@H](C)CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000787142596 1081026202 /nfs/dbraw/zinc/02/62/02/1081026202.db2.gz ZXOMJFSXKWVTNQ-UTKZUKDTSA-N 1 0 417.550 2.065 20 0 HEADRO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]31)C2=O ZINC000746644301 1081026762 /nfs/dbraw/zinc/02/67/62/1081026762.db2.gz BDCKJDNKZNKMGZ-JTJFMMGNSA-N 1 0 406.571 2.264 20 0 HEADRO C[C@@H](Cc1ccco1)NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000787155374 1081033142 /nfs/dbraw/zinc/03/31/42/1081033142.db2.gz DHJKNSLTDVKBDC-OKZBNKHCSA-N 1 0 413.518 2.252 20 0 HEADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CSCCS2)C1 ZINC000787158154 1081037126 /nfs/dbraw/zinc/03/71/26/1081037126.db2.gz NEZLWXMYJCBIQY-VQIMIIECSA-N 1 0 421.632 2.500 20 0 HEADRO Cn1cc(C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccncc2)n1 ZINC000769332288 1081045338 /nfs/dbraw/zinc/04/53/38/1081045338.db2.gz KCJNUEOGKOZKJN-UHFFFAOYSA-N 1 0 414.554 2.467 20 0 HEADRO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000769335835 1081046254 /nfs/dbraw/zinc/04/62/54/1081046254.db2.gz YOIJYNRKCDWAAU-KRWDZBQOSA-N 1 0 407.559 2.254 20 0 HEADRO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000769335836 1081046350 /nfs/dbraw/zinc/04/63/50/1081046350.db2.gz YOIJYNRKCDWAAU-QGZVFWFLSA-N 1 0 407.559 2.254 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cn1c(=O)oc2ccc(Br)cc21 ZINC000746650031 1081047771 /nfs/dbraw/zinc/04/77/71/1081047771.db2.gz QQQJJHKBAYNSKT-JKIFEVAISA-N 1 0 410.312 2.498 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)N1CCC2(CC1)OCCO2 ZINC000787156249 1081048813 /nfs/dbraw/zinc/04/88/13/1081048813.db2.gz GMNMXXLKDRUZCW-GOSISDBHSA-N 1 0 415.534 2.043 20 0 HEADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000787191937 1081056378 /nfs/dbraw/zinc/05/63/78/1081056378.db2.gz HOVKQDANXNDOTG-OALUTQOASA-N 1 0 403.523 2.217 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000769382028 1081058451 /nfs/dbraw/zinc/05/84/51/1081058451.db2.gz AZULACZQDYKZFH-CRAIPNDOSA-N 1 0 409.477 2.188 20 0 HEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769386826 1081059919 /nfs/dbraw/zinc/05/99/19/1081059919.db2.gz UUZZXACUQOEXOG-SJORKVTESA-N 1 0 409.477 2.331 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787203756 1081060371 /nfs/dbraw/zinc/06/03/71/1081060371.db2.gz XMAGFSXGFOBVRE-WMZOPIPTSA-N 1 0 410.534 2.404 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787203754 1081060625 /nfs/dbraw/zinc/06/06/25/1081060625.db2.gz XMAGFSXGFOBVRE-FUHWJXTLSA-N 1 0 410.534 2.404 20 0 HEADRO C[C@@H]1C[NH+](Cc2ccc(CNS(=O)(=O)c3cnc(Cl)n3C)cc2)C[C@@H](C)O1 ZINC000769397192 1081076778 /nfs/dbraw/zinc/07/67/78/1081076778.db2.gz PYESTESGWXOSHY-ZIAGYGMSSA-N 1 0 412.943 2.161 20 0 HEADRO Cn1c(Cl)ncc1S(=O)(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000769397563 1081077541 /nfs/dbraw/zinc/07/75/41/1081077541.db2.gz VBBGQKMPYFTJOQ-AWEZNQCLSA-N 1 0 410.927 2.340 20 0 HEADRO C[C@@H]1CN(CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000787227737 1081078694 /nfs/dbraw/zinc/07/86/94/1081078694.db2.gz MSXMBZTWNSPMBW-SYNHAJSKSA-N 1 0 424.511 2.335 20 0 HEADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000787230816 1081079561 /nfs/dbraw/zinc/07/95/61/1081079561.db2.gz ANSVTPIGTNLPBP-UHFFFAOYSA-N 1 0 405.539 2.431 20 0 HEADRO COc1cc(CNC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC000787231455 1081080603 /nfs/dbraw/zinc/08/06/03/1081080603.db2.gz HZVMHHAEAZXOGB-MRXNPFEDSA-N 1 0 405.539 2.287 20 0 HEADRO CCOC(=O)C[C@@H]1C[C@H](OC)CN1CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O ZINC000787236755 1081083468 /nfs/dbraw/zinc/08/34/68/1081083468.db2.gz RRCUTFPFNHMUMC-ILXRZTDVSA-N 1 0 414.424 2.420 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000769450476 1081083967 /nfs/dbraw/zinc/08/39/67/1081083967.db2.gz DHTMRFOYJOFUDW-SWLSCSKDSA-N 1 0 405.442 2.292 20 0 HEADRO CCOc1cc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)ccc1OC(F)F ZINC000787298392 1081098315 /nfs/dbraw/zinc/09/83/15/1081098315.db2.gz KRDLTQOIJYNFLY-AWEZNQCLSA-N 1 0 413.465 2.294 20 0 HEADRO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000787267729 1081100595 /nfs/dbraw/zinc/10/05/95/1081100595.db2.gz DWDHSIHBVFIOKP-AKHDSKFASA-N 1 0 408.587 2.307 20 0 HEADRO CC1(C)OCc2cc(C[NH2+]C3CCN(S(=O)(=O)C4CCOCC4)CC3)ccc2O1 ZINC000769519036 1081105459 /nfs/dbraw/zinc/10/54/59/1081105459.db2.gz NLLIERFQDLAMCW-UHFFFAOYSA-N 1 0 424.563 2.395 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000769528170 1081109612 /nfs/dbraw/zinc/10/96/12/1081109612.db2.gz TUGQWQZUJKHXOF-KZNAEPCWSA-N 1 0 407.559 2.393 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)C1 ZINC000769614343 1081171749 /nfs/dbraw/zinc/17/17/49/1081171749.db2.gz LLQLRNSMPMQDSQ-RDTXWAMCSA-N 1 0 411.955 2.291 20 0 HEADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c(Cl)nn2)c1 ZINC001164401568 718854861 /nfs/dbraw/zinc/85/48/61/718854861.db2.gz BSEFWBHYYPHCHF-ACJLOTCBSA-N 1 0 410.852 2.369 20 0 HEADRO Clc1ccc(OC(Cl)(Cl)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)cn1 ZINC001164415541 718886076 /nfs/dbraw/zinc/88/60/76/718886076.db2.gz KGRKRNDUCJZWTP-UHFFFAOYSA-N 1 0 403.701 2.389 20 0 HEADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1 ZINC001164422657 718944411 /nfs/dbraw/zinc/94/44/11/718944411.db2.gz ANYNFNYDKKTNMY-UKRRQHHQSA-N 1 0 414.865 2.003 20 0 HEADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN([C@@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164615328 719011684 /nfs/dbraw/zinc/01/16/84/719011684.db2.gz IHXKUFRXHRTQEG-XVSDVWIESA-N 1 0 412.893 2.407 20 0 HEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)cc(N2CCCC2)n1 ZINC001164615513 719013104 /nfs/dbraw/zinc/01/31/04/719013104.db2.gz INYAREFILKELRP-FRRDWIJNSA-N 1 0 415.872 2.005 20 0 HEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164617869 719016169 /nfs/dbraw/zinc/01/61/69/719016169.db2.gz QGKLLWIOXACOJX-LKTVYLICSA-N 1 0 412.824 2.438 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(C)c3C(N)=O)CC2)CC1 ZINC001164614774 719021997 /nfs/dbraw/zinc/02/19/97/719021997.db2.gz YDVIUYVULRBQLP-UHFFFAOYSA-N 1 0 408.930 2.386 20 0 HEADRO CCNC(=O)c1cc(Cl)nc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)n1 ZINC001164618634 719035978 /nfs/dbraw/zinc/03/59/78/719035978.db2.gz WRDAXWGQJFUTTM-UHFFFAOYSA-N 1 0 423.945 2.124 20 0 HEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164635914 719138568 /nfs/dbraw/zinc/13/85/68/719138568.db2.gz XOEGLLUWVMKIKW-AWEZNQCLSA-N 1 0 400.788 2.432 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(CN4CCOCC4)nnc3C2)nc1 ZINC001164680794 719590069 /nfs/dbraw/zinc/59/00/69/719590069.db2.gz QIUADJZJPYVOLN-LJQANCHMSA-N 1 0 411.554 2.072 20 0 HEADRO CCOC(=O)c1cc2cccnc2nc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681553 719620542 /nfs/dbraw/zinc/62/05/42/719620542.db2.gz HWZHZQBQZHGHNX-UHFFFAOYSA-N 1 0 408.506 2.478 20 0 HEADRO CC(C)N(C)Cc1nn(-c2nc(CO)ccc2NC(=O)C(C)(C)C)c2c1CC[NH2+]C2 ZINC001164681568 719632470 /nfs/dbraw/zinc/63/24/70/719632470.db2.gz IFKIBJIEXTVYAM-UHFFFAOYSA-N 1 0 414.554 2.230 20 0 HEADRO CCOC(=O)c1cc(Cl)nnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164811334 720091043 /nfs/dbraw/zinc/09/10/43/720091043.db2.gz NWDATFHCDPUTGR-QRWLVFNGSA-N 1 0 408.930 2.491 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)ccc1C(N)=O)CC2 ZINC001164710408 720139488 /nfs/dbraw/zinc/13/94/88/720139488.db2.gz AXZDXGAWRLEPSY-IBGZPJMESA-N 1 0 409.534 2.391 20 0 HEADRO CCNC(=O)c1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164710869 720148363 /nfs/dbraw/zinc/14/83/63/720148363.db2.gz FGBJVSAYHDABDR-LJQANCHMSA-N 1 0 424.549 2.129 20 0 HEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(CO)c1C(OC)OC)C2 ZINC001164819091 720148657 /nfs/dbraw/zinc/14/86/57/720148657.db2.gz VXUMEGPNISDLHT-XMSQKQJNSA-N 1 0 405.539 2.050 20 0 HEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ccc1S(C)(=O)=O)C2 ZINC001164815996 720156085 /nfs/dbraw/zinc/15/60/85/720156085.db2.gz JPSOTIMZDSMGSD-KXBFYZLASA-N 1 0 413.971 2.323 20 0 HEADRO Cn1nnc2c1CCN(c1nc(Cl)ncc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164713848 720168612 /nfs/dbraw/zinc/16/86/12/720168612.db2.gz LZZKBKIPNWUHSL-AWEZNQCLSA-N 1 0 412.325 2.128 20 0 HEADRO CC(C)Oc1cccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164719209 720185441 /nfs/dbraw/zinc/18/54/41/720185441.db2.gz UMMDKIZUUYCKPF-SFHVURJKSA-N 1 0 400.527 2.214 20 0 HEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCSCC3)ncn1)C2 ZINC001164819059 720187457 /nfs/dbraw/zinc/18/74/57/720187457.db2.gz VUVSNOBQPCEBHD-WIYYLYMNSA-N 1 0 403.596 2.215 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3cnccc31)CCC2 ZINC001164814112 720217847 /nfs/dbraw/zinc/21/78/47/720217847.db2.gz UNFMOPXVDDJLPE-UHFFFAOYSA-N 1 0 413.913 2.485 20 0 HEADRO COc1nc(Cl)nc(C)c1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814896 720223917 /nfs/dbraw/zinc/22/39/17/720223917.db2.gz ZQABCDRYOQLOQS-UHFFFAOYSA-N 1 0 406.918 2.254 20 0 HEADRO COC(=O)c1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164820826 720287241 /nfs/dbraw/zinc/28/72/41/720287241.db2.gz XSDPKARNLUBHAW-ROUUACIJSA-N 1 0 420.941 2.433 20 0 HEADRO COC(=O)c1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1Cl ZINC001164820012 720295640 /nfs/dbraw/zinc/29/56/40/720295640.db2.gz GGVAMHGNLPQVQM-QZTJIDSGSA-N 1 0 420.941 2.433 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2COC3)CC1 ZINC001164826776 720307712 /nfs/dbraw/zinc/30/77/12/720307712.db2.gz WKWPEFRGMDQPID-IRXDYDNUSA-N 1 0 405.930 2.072 20 0 HEADRO CC(C)COc1nccnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828388 720347873 /nfs/dbraw/zinc/34/78/73/720347873.db2.gz OOROLKFNCBGBFN-RBUKOAKNSA-N 1 0 401.555 2.423 20 0 HEADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164728925 720374507 /nfs/dbraw/zinc/37/45/07/720374507.db2.gz UIFKNNLODLLGNJ-HZPDHXFCSA-N 1 0 401.898 2.484 20 0 HEADRO COC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834624 720509885 /nfs/dbraw/zinc/50/98/85/720509885.db2.gz GUMKPBJKDFQZJM-BFYDXBDKSA-N 1 0 418.929 2.491 20 0 HEADRO COC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1OC ZINC001164834853 720515781 /nfs/dbraw/zinc/51/57/81/720515781.db2.gz HMMKMVRRDRHPOL-ZHALLVOQSA-N 1 0 413.522 2.451 20 0 HEADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ccc3C(N)=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835486 720548239 /nfs/dbraw/zinc/54/82/39/720548239.db2.gz HMFVHTJEYAJBBP-YQQAZPJKSA-N 1 0 402.930 2.408 20 0 HEADRO COC(=O)c1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838251 720625852 /nfs/dbraw/zinc/62/58/52/720625852.db2.gz KILVIRJFWXULCR-HRCADAONSA-N 1 0 418.929 2.491 20 0 HEADRO O=C(NC1CCCCC1)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745742 720626974 /nfs/dbraw/zinc/62/69/74/720626974.db2.gz WHBGMSRMHYRQLG-RBUKOAKNSA-N 1 0 422.533 2.276 20 0 HEADRO COCc1nc(OC)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839367 720643278 /nfs/dbraw/zinc/64/32/78/720643278.db2.gz NJLSPAACDJSGOC-KZNAEPCWSA-N 1 0 400.527 2.206 20 0 HEADRO CNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164843689 720645170 /nfs/dbraw/zinc/64/51/70/720645170.db2.gz WZACNTJHBUNXKA-ZMSDIMECSA-N 1 0 417.945 2.064 20 0 HEADRO COC(=O)c1ccc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164739682 720675866 /nfs/dbraw/zinc/67/58/66/720675866.db2.gz OSQNKUUMRVLWQY-ZWKOTPCHSA-N 1 0 405.458 2.153 20 0 HEADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nc2c1 ZINC001164737319 720677035 /nfs/dbraw/zinc/67/70/35/720677035.db2.gz FTGVUOBNOUBQPR-HIFRSBDPSA-N 1 0 412.881 2.424 20 0 HEADRO O=C(Nc1ccccc1)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743711 720704048 /nfs/dbraw/zinc/70/40/48/720704048.db2.gz XUVQMMITYTYOIF-UXHICEINSA-N 1 0 416.485 2.466 20 0 HEADRO c1ccc(COc2cnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)cn2)cc1 ZINC001164743485 720738729 /nfs/dbraw/zinc/73/87/29/720738729.db2.gz QJPTWZILECEHDU-RBUKOAKNSA-N 1 0 404.474 2.188 20 0 HEADRO Clc1nc2c(Cl)nccc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737750 720753979 /nfs/dbraw/zinc/75/39/79/720753979.db2.gz CLRZBCBQAOXTGG-NEPJUHHUSA-N 1 0 418.288 2.464 20 0 HEADRO CC(C)c1noc(-c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2)n1 ZINC001164750016 720789078 /nfs/dbraw/zinc/78/90/78/720789078.db2.gz UZUZEOWPBFNSNM-IRXDYDNUSA-N 1 0 407.478 2.387 20 0 HEADRO CN(C)c1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164752007 720809983 /nfs/dbraw/zinc/80/99/83/720809983.db2.gz YKHHZFLETUYOCU-YESZJQIVSA-N 1 0 416.961 2.167 20 0 HEADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164748262 720810249 /nfs/dbraw/zinc/81/02/49/720810249.db2.gz QDRJMDIFMBFOPL-VAMGGRTRSA-N 1 0 410.522 2.229 20 0 HEADRO COc1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741759 720811806 /nfs/dbraw/zinc/81/18/06/720811806.db2.gz BWSXNBCYBPUNRJ-ARFHVFGLSA-N 1 0 403.918 2.110 20 0 HEADRO O=C1[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2CN1Cc1ccncc1 ZINC001164852403 720811833 /nfs/dbraw/zinc/81/18/33/720811833.db2.gz NNJZRYRFGAIYKB-VQTJNVASSA-N 1 0 407.518 2.046 20 0 HEADRO C[N@H+](Cc1ccc(N2C[C@@H]3COC[C@@]3(C(=O)NCCc3ccccc3)C2)nc1)C1CC1 ZINC001164849303 720817212 /nfs/dbraw/zinc/81/72/12/720817212.db2.gz FLCDFXCFGKYLTD-BWKNWUBXSA-N 1 0 420.557 2.488 20 0 HEADRO Fc1cc2c(cn1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745068 720820346 /nfs/dbraw/zinc/82/03/46/720820346.db2.gz VZZLGHJCFGELHC-GPMSIDNRSA-N 1 0 408.485 2.135 20 0 HEADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164855196 720847599 /nfs/dbraw/zinc/84/75/99/720847599.db2.gz SXPSGPVMOVBIHT-CVEARBPZSA-N 1 0 411.930 2.394 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cncc(Oc4cccc(OC)c4)n3)CC[C@H]2C1 ZINC001164856808 720866142 /nfs/dbraw/zinc/86/61/42/720866142.db2.gz PNQKVJKTLKKRBC-FXAWDEMLSA-N 1 0 414.506 2.451 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ncn4C(C)C)CC[C@@H]2C1 ZINC001164852453 720867213 /nfs/dbraw/zinc/86/72/13/720867213.db2.gz DFPWEMXQIQTVKU-HUUCEWRRSA-N 1 0 408.934 2.234 20 0 HEADRO NC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752217 720870906 /nfs/dbraw/zinc/87/09/06/720870906.db2.gz MAYQQAWQFBFAGK-YKSBVNFPSA-N 1 0 421.545 2.331 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4sc(C)nc4C)nn3)CC[C@H]2C1 ZINC001164862080 720884951 /nfs/dbraw/zinc/88/49/51/720884951.db2.gz QIUYIFUYCMDZAW-FUHWJXTLSA-N 1 0 403.552 2.390 20 0 HEADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C(N)=S)c4ccsc43)CC[C@H]2C1 ZINC001164858500 720891442 /nfs/dbraw/zinc/89/14/42/720891442.db2.gz KZNRLWVBEXRVPU-BBRMVZONSA-N 1 0 406.577 2.104 20 0 HEADRO CCOC(=O)c1nnc(SC)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863266 720943293 /nfs/dbraw/zinc/94/32/93/720943293.db2.gz ZKOKBRUEXUJCDN-CYBMUJFWSA-N 1 0 419.555 2.388 20 0 HEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nnc(Cl)c3ccsc31)CC2 ZINC001164749516 720950003 /nfs/dbraw/zinc/95/00/03/720950003.db2.gz HJSHLXFRJJXMSI-UHFFFAOYSA-N 1 0 406.899 2.187 20 0 HEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cnc3cc(Cl)ccc3n1)CC2 ZINC001164748787 720952943 /nfs/dbraw/zinc/95/29/43/720952943.db2.gz CSMGGCOGZGXGOZ-UHFFFAOYSA-N 1 0 400.870 2.125 20 0 HEADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)[C@H]2C ZINC001164862581 720963865 /nfs/dbraw/zinc/96/38/65/720963865.db2.gz WGFRBZGPNJYEMX-RDJZCZTQSA-N 1 0 424.553 2.040 20 0 HEADRO Cc1csc2nc(C)nc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c12 ZINC001164754301 720966201 /nfs/dbraw/zinc/96/62/01/720966201.db2.gz PHCCFTKWTRPDHK-UHFFFAOYSA-N 1 0 400.508 2.150 20 0 HEADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164867444 721041926 /nfs/dbraw/zinc/04/19/26/721041926.db2.gz JECVLOYTAZZIFM-IRXDYDNUSA-N 1 0 402.882 2.396 20 0 HEADRO COC(=O)c1ccc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870937 721044619 /nfs/dbraw/zinc/04/46/19/721044619.db2.gz XNFZDGMEQDOYEN-CVEARBPZSA-N 1 0 402.882 2.396 20 0 HEADRO Cn1cccc1C(=O)N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164762297 721066502 /nfs/dbraw/zinc/06/65/02/721066502.db2.gz DVDRCBCYJCSTAV-KNKQGSTJSA-N 1 0 409.534 2.182 20 0 HEADRO Cn1cccc1C(=O)N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164762294 721066619 /nfs/dbraw/zinc/06/66/19/721066619.db2.gz DVDRCBCYJCSTAV-DXIQSLLYSA-N 1 0 409.534 2.182 20 0 HEADRO Cn1cccc1C(=O)N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164773786 721068006 /nfs/dbraw/zinc/06/80/06/721068006.db2.gz YKJBSNISTNJFAC-SFHLNBCPSA-N 1 0 409.534 2.182 20 0 HEADRO COC(=O)c1cccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncc21 ZINC001164865901 721069369 /nfs/dbraw/zinc/06/93/69/721069369.db2.gz BLZZGUBBSQKHOW-ROUUACIJSA-N 1 0 419.485 2.291 20 0 HEADRO COC(=O)c1ccc2cnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2c1 ZINC001164762268 721088029 /nfs/dbraw/zinc/08/80/29/721088029.db2.gz DPOQSBXXSHCHIJ-RBUKOAKNSA-N 1 0 406.490 2.108 20 0 HEADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865367 721088421 /nfs/dbraw/zinc/08/84/21/721088421.db2.gz KKYMUAGOHYMWCQ-OALUTQOASA-N 1 0 423.517 2.405 20 0 HEADRO CC(C)(C)NC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865507 721090148 /nfs/dbraw/zinc/09/01/48/721090148.db2.gz MDLUCHZTWWHELF-UXHICEINSA-N 1 0 409.534 2.485 20 0 HEADRO S=c1nc2[nH]cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c-2s1 ZINC001164871114 721132457 /nfs/dbraw/zinc/13/24/57/721132457.db2.gz DSXSGKXJQYERIH-KGLIPLIRSA-N 1 0 400.533 2.250 20 0 HEADRO NC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164881107 721159600 /nfs/dbraw/zinc/15/96/00/721159600.db2.gz ZBKODKYJMQRKCA-RBUKOAKNSA-N 1 0 403.486 2.208 20 0 HEADRO FC(F)(Oc1cnc(Cl)cn1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868880 721191344 /nfs/dbraw/zinc/19/13/44/721191344.db2.gz OUAHHPXOCIMVFC-LSDHHAIUSA-N 1 0 411.840 2.429 20 0 HEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c(Cl)ncnc54)C[C@H]3C2)cn1 ZINC001164774479 721226138 /nfs/dbraw/zinc/22/61/38/721226138.db2.gz ZSVYDRYYVMTCEQ-CHWSQXEVSA-N 1 0 419.320 2.418 20 0 HEADRO C[N@H+](Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@@H]3C2)nc1)C1CC1 ZINC001164766163 721257117 /nfs/dbraw/zinc/25/71/17/721257117.db2.gz SHIKWEAJWKMPRK-UIFIKXQLSA-N 1 0 410.518 2.284 20 0 HEADRO O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164766638 721257780 /nfs/dbraw/zinc/25/77/80/721257780.db2.gz VCYDBFSEMZMNQK-CEWLAPEOSA-N 1 0 410.518 2.286 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nnc(Cl)c4ccsc43)CC2)C1 ZINC001164870280 721267548 /nfs/dbraw/zinc/26/75/48/721267548.db2.gz VDGDTYZPYGHWGX-UHFFFAOYSA-N 1 0 423.970 2.352 20 0 HEADRO COc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc2ccccc21 ZINC001164873475 721280687 /nfs/dbraw/zinc/28/06/87/721280687.db2.gz MVUNPBHGCUPGGH-UHFFFAOYSA-N 1 0 412.534 2.250 20 0 HEADRO O=C(NCc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@H]2OCC[C@H]21 ZINC001164877423 721304309 /nfs/dbraw/zinc/30/43/09/721304309.db2.gz IRKXJEIVYAPGJB-BHDDXSALSA-N 1 0 421.545 2.230 20 0 HEADRO O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]2C1 ZINC001164879541 721309533 /nfs/dbraw/zinc/30/95/33/721309533.db2.gz NIDLWTUHPGDDOW-WOJBJXKFSA-N 1 0 412.559 2.434 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5cc[nH]c54)C3)O2)CC1 ZINC001164892155 721379288 /nfs/dbraw/zinc/37/92/88/721379288.db2.gz RXONZRKZAXJFKD-YWZLYKJASA-N 1 0 404.946 2.377 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nnc(Cl)c5ccncc54)C3)O2)CC1 ZINC001164894057 721389748 /nfs/dbraw/zinc/38/97/48/721389748.db2.gz XAAWTPFTSHPIHM-KKSFZXQISA-N 1 0 416.957 2.444 20 0 HEADRO COc1ccc2c(c1)ncnc2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888256 721410952 /nfs/dbraw/zinc/41/09/52/721410952.db2.gz NTJPZWNHOYWBMK-XXBNENTESA-N 1 0 411.550 2.404 20 0 HEADRO COc1c(Cl)nc(C)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886234 721411016 /nfs/dbraw/zinc/41/10/16/721411016.db2.gz IJTSULCOJRBTGO-OXQOHEQNSA-N 1 0 409.962 2.212 20 0 HEADRO COc1ccc2c(c1)ncnc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888252 721411107 /nfs/dbraw/zinc/41/11/07/721411107.db2.gz NTJPZWNHOYWBMK-CVDCTZTESA-N 1 0 411.550 2.404 20 0 HEADRO COc1ccc2nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ncc2c1 ZINC001164884122 721415171 /nfs/dbraw/zinc/41/51/71/721415171.db2.gz DEHXBXNFUZSWQT-NFBKMPQASA-N 1 0 411.550 2.404 20 0 HEADRO CCN(CC)c1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164885610 721424307 /nfs/dbraw/zinc/42/43/07/721424307.db2.gz GSTBQLYEDVCQHU-SIKLNZKXSA-N 1 0 402.587 2.088 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5ccc(Cl)nc5[nH]4)C3)O2)CC1 ZINC001164897447 721427748 /nfs/dbraw/zinc/42/77/48/721427748.db2.gz UDKBKCKIMMFNEC-YWZLYKJASA-N 1 0 404.946 2.377 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(N5CCCCC5)ncn4)C3)O2)CC1 ZINC001164891602 721433485 /nfs/dbraw/zinc/43/34/85/721433485.db2.gz HHLAOMLFRYIVPT-REWPJTCUSA-N 1 0 414.598 2.232 20 0 HEADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc(N)n1)CC2 ZINC001164783491 721447848 /nfs/dbraw/zinc/44/78/48/721447848.db2.gz CAQBBRBAYRXIKF-MRXNPFEDSA-N 1 0 409.962 2.446 20 0 HEADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(OC)ncc1F)CC2 ZINC001164789913 721458428 /nfs/dbraw/zinc/45/84/28/721458428.db2.gz YLZLLYYPDCFSDC-QGZVFWFLSA-N 1 0 408.518 2.358 20 0 HEADRO O=C([C@@H]1CCO[C@@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21)N1CCCO1 ZINC001164793286 721483267 /nfs/dbraw/zinc/48/32/67/721483267.db2.gz UDJPMBGARMIYSX-VAMGGRTRSA-N 1 0 400.523 2.073 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Oc4ccccc4)ncn2)CC3)CC1 ZINC001164794067 721510033 /nfs/dbraw/zinc/51/00/33/721510033.db2.gz DMYUPZBEMKODPQ-UHFFFAOYSA-N 1 0 405.506 2.233 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc(F)c(Cl)n2)CC3)CC1 ZINC001164794499 721510234 /nfs/dbraw/zinc/51/02/34/721510234.db2.gz RLBGXXVMVPZVTP-UHFFFAOYSA-N 1 0 414.863 2.383 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc(-c4ccccc4)n2)CC3)CC1 ZINC001164794114 721511703 /nfs/dbraw/zinc/51/17/03/721511703.db2.gz GIVBKHCRHMIXDS-UHFFFAOYSA-N 1 0 424.940 2.156 20 0 HEADRO CCc1c(Cl)nnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1CC ZINC001164794607 721513978 /nfs/dbraw/zinc/51/39/78/721513978.db2.gz SWNSHALYVZCOEL-UHFFFAOYSA-N 1 0 403.962 2.219 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4sc5c(c42)CCC5)CC3)CC1 ZINC001164797781 721518740 /nfs/dbraw/zinc/51/87/40/721518740.db2.gz NAUWCTKLBWCGPW-UHFFFAOYSA-N 1 0 409.563 2.144 20 0 HEADRO CCOC(=O)c1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164896262 721523962 /nfs/dbraw/zinc/52/39/62/721523962.db2.gz AEKVAHYMMYAYCH-SJLPKXTDSA-N 1 0 400.454 2.443 20 0 HEADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164908229 721530340 /nfs/dbraw/zinc/53/03/40/721530340.db2.gz POALPXCXFKFBDD-WMZOPIPTSA-N 1 0 400.454 2.443 20 0 HEADRO O=C1NCc2c1cc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909902 721542724 /nfs/dbraw/zinc/54/27/24/721542724.db2.gz SKNKAVDENGCRTN-DZGCQCFKSA-N 1 0 402.857 2.459 20 0 HEADRO COCCN1C[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1=O ZINC001164901566 721573457 /nfs/dbraw/zinc/57/34/57/721573457.db2.gz GDAYHYOHCMKXFN-LEWJYISDSA-N 1 0 406.530 2.181 20 0 HEADRO COC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164903761 721586997 /nfs/dbraw/zinc/58/69/97/721586997.db2.gz CBYGXNKLWLVQQL-LJQANCHMSA-N 1 0 403.433 2.396 20 0 HEADRO NC(=O)c1cc(F)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906256 721718874 /nfs/dbraw/zinc/71/88/74/721718874.db2.gz LTSPVGYPLYLUSY-LJQANCHMSA-N 1 0 405.424 2.452 20 0 HEADRO CCNC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164909709 721730369 /nfs/dbraw/zinc/73/03/69/721730369.db2.gz DDNBGGWUSZGINN-FQEVSTJZSA-N 1 0 416.476 2.359 20 0 HEADRO COC(=O)/C=C\c1cc(C)cnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010427 721742474 /nfs/dbraw/zinc/74/24/74/721742474.db2.gz MJCXJRFSZWOPIQ-SREVYHEPSA-N 1 0 400.523 2.099 20 0 HEADRO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)C[C@H]32)cc1 ZINC001165016146 721796517 /nfs/dbraw/zinc/79/65/17/721796517.db2.gz CFPCXIUDDIYJRW-YADHBBJMSA-N 1 0 422.529 2.302 20 0 HEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc(Cl)c3C(N)=O)C[C@H]21 ZINC001165018910 721816325 /nfs/dbraw/zinc/81/63/25/721816325.db2.gz AWBZETVGQIIFFZ-FVQBIDKESA-N 1 0 400.914 2.361 20 0 HEADRO Cc1cc2c(c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n1)C(=O)NC2=O ZINC001165024540 721822634 /nfs/dbraw/zinc/82/26/34/721822634.db2.gz KKBPGGJYWUMXQA-SNRMKQJTSA-N 1 0 405.502 2.406 20 0 HEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(F)cc2C(N)=O)CC1 ZINC001165020319 721843145 /nfs/dbraw/zinc/84/31/45/721843145.db2.gz CCIQACKHWNATPV-UHFFFAOYSA-N 1 0 402.470 2.438 20 0 HEADRO COC(=O)c1ccc2nc(Cl)c(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)nc2c1 ZINC001164932727 721850739 /nfs/dbraw/zinc/85/07/39/721850739.db2.gz ZTNHAZPRYNQOBN-DLBZAZTESA-N 1 0 403.914 2.284 20 0 HEADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)nc1Cl ZINC001164928822 721855410 /nfs/dbraw/zinc/85/54/10/721855410.db2.gz OPCVTACIKMJRGG-KGLIPLIRSA-N 1 0 402.873 2.281 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncnc2c1CCN(Cc1ccccc1)C2 ZINC001164923394 721860438 /nfs/dbraw/zinc/86/04/38/721860438.db2.gz AGTPSQOZZCOLHT-PKTZIBPZSA-N 1 0 406.578 2.250 20 0 HEADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164931311 721861324 /nfs/dbraw/zinc/86/13/24/721861324.db2.gz UTGKHUZIKWGSDY-UONOGXRCSA-N 1 0 402.873 2.281 20 0 HEADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1ncn2Cc1ccccc1F ZINC001164922617 721869409 /nfs/dbraw/zinc/86/94/09/721869409.db2.gz HHMRQAULMDJMJD-RBUKOAKNSA-N 1 0 409.513 2.228 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2[C@@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164930191 721882488 /nfs/dbraw/zinc/88/24/88/721882488.db2.gz CKPLSMAZUJYKNK-XNJGSVPQSA-N 1 0 407.868 2.150 20 0 HEADRO COCCOc1cc2ncnc(N3CCC[C@@H]([NH+](C)C)C3)c2cc1OCCOC ZINC001165037457 721887515 /nfs/dbraw/zinc/88/75/15/721887515.db2.gz YBDMLVWKAWPYOC-MRXNPFEDSA-N 1 0 404.511 2.211 20 0 HEADRO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001165039265 721909015 /nfs/dbraw/zinc/90/90/15/721909015.db2.gz QNJHMXVJHSOVKV-GJZGRUSLSA-N 1 0 406.918 2.480 20 0 HEADRO c1cc(N2CCOCC2)ccc1-c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nn1 ZINC001165041940 721922881 /nfs/dbraw/zinc/92/28/81/721922881.db2.gz CXGXFUOPEZYUBS-NRFANRHFSA-N 1 0 409.534 2.281 20 0 HEADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccnc(N5CCOCC5)n4)CC3)C2)cc1 ZINC001164940601 721928216 /nfs/dbraw/zinc/92/82/16/721928216.db2.gz UQJILHKBAWAHFV-UHFFFAOYSA-N 1 0 423.561 2.493 20 0 HEADRO C[N@H+](Cc1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc1)C1CC1 ZINC001165049943 721981316 /nfs/dbraw/zinc/98/13/16/721981316.db2.gz PLACVIMXYYEDGZ-NRFANRHFSA-N 1 0 408.502 2.164 20 0 HEADRO CCOC(=O)C1CCN(c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nn2)CC1 ZINC001165056538 722014918 /nfs/dbraw/zinc/01/49/18/722014918.db2.gz VJHTXVYFESNRAA-UHFFFAOYSA-N 1 0 424.549 2.016 20 0 HEADRO c1ccc(N(c2ccc(CN3CCOCC3)cn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)nc1 ZINC001164961877 722050848 /nfs/dbraw/zinc/05/08/48/722050848.db2.gz XGYMLQOEASBNFK-VIZSFHNOSA-N 1 0 409.534 2.214 20 0 HEADRO COCCOc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164963369 722059901 /nfs/dbraw/zinc/05/99/01/722059901.db2.gz XOGGMLOFSAARDH-UHFFFAOYSA-N 1 0 413.522 2.016 20 0 HEADRO COC(=O)c1ccc2nc(Cl)c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2c1 ZINC001164964699 722068749 /nfs/dbraw/zinc/06/87/49/722068749.db2.gz AYPYXSAUPNMTPM-GASCZTMLSA-N 1 0 402.882 2.369 20 0 HEADRO O=C(c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CCCC1 ZINC001164981429 722099280 /nfs/dbraw/zinc/09/92/80/722099280.db2.gz LLVVLQIKZOWVDZ-RBBKRZOGSA-N 1 0 421.545 2.440 20 0 HEADRO COC(=O)c1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 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C[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000746416143 1078907952 /nfs/dbraw/zinc/90/79/52/1078907952.db2.gz ULVUNZYPIQPCOG-NVXWUHKLSA-N 1 0 408.568 2.492 20 0 HEADRO Cc1cc(Br)cc2c1N(CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)CCC2 ZINC000766355933 1078911008 /nfs/dbraw/zinc/91/10/08/1078911008.db2.gz PEPWBLZRWFJASX-UHFFFAOYSA-N 1 0 421.339 2.484 20 0 HEADRO CON(C)S(=O)(=O)c1ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc1 ZINC000746422211 1078917850 /nfs/dbraw/zinc/91/78/50/1078917850.db2.gz PZXONEYSLVMQMO-UHFFFAOYSA-N 1 0 400.545 2.499 20 0 HEADRO Cc1ccc([C@H](CNC(=O)NNC(=O)c2cc(Br)c[nH]2)[NH+](C)C)cc1 ZINC000065467269 1078919113 /nfs/dbraw/zinc/91/91/13/1078919113.db2.gz WWEGYRGLWBTWCC-HNNXBMFYSA-N 1 0 408.300 2.333 20 0 HEADRO CCC[C@H]1CN(CN2C(=O)C[C@](C)(c3ccc(C)cc3)C2=O)CC[N@@H+]1CCOC ZINC000766383170 1078931829 /nfs/dbraw/zinc/93/18/29/1078931829.db2.gz WZACKDYILOJTBX-NZQKXSOJSA-N 1 0 401.551 2.402 20 0 HEADRO CCN1CC[NH+](CCCCNC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770684483 1078933215 /nfs/dbraw/zinc/93/32/15/1078933215.db2.gz ZYOQHIRSLKCAAN-OAQYLSRUSA-N 1 0 416.566 2.179 20 0 HEADRO CCC[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)CC[N@@H+]1CCOC ZINC000766372955 1078938829 /nfs/dbraw/zinc/93/88/29/1078938829.db2.gz DSSDWTNRHFXERL-NQIIRXRSSA-N 1 0 422.957 2.497 20 0 HEADRO Cc1nn(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c(=S)n1CC(=O)N(C)C ZINC000766374827 1078941703 /nfs/dbraw/zinc/94/17/03/1078941703.db2.gz JIIWLFASQIMBLU-SJORKVTESA-N 1 0 416.595 2.363 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2C[C@H](NC(=O)c3cccn3C)[C@H]3OCCC[C@H]32)CC1 ZINC001168782527 1078943964 /nfs/dbraw/zinc/94/39/64/1078943964.db2.gz PBUXGQSUYXPDAJ-ZIBJITFBSA-N 1 0 403.523 2.109 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)Cc3c(C)noc3C)cc2)CC1 ZINC000804273113 1078951266 /nfs/dbraw/zinc/95/12/66/1078951266.db2.gz ONOXACJVFCEKNF-UHFFFAOYSA-N 1 0 400.479 2.158 20 0 HEADRO COc1ccccc1S(=O)(=O)CCCONC(=[NH2+])[C@@H]1COc2ccccc2O1 ZINC000766414089 1078967087 /nfs/dbraw/zinc/96/70/87/1078967087.db2.gz SOVYJKMDVNYKPD-KRWDZBQOSA-N 1 0 406.460 2.197 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)CCCOC1 ZINC000770700885 1078968860 /nfs/dbraw/zinc/96/88/60/1078968860.db2.gz QSSFGDLGSJNJCK-VGOFRKELSA-N 1 0 420.506 2.069 20 0 HEADRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@]2(CC(=O)OC)CCCOC2)cc1 ZINC000770710698 1078979074 /nfs/dbraw/zinc/97/90/74/1078979074.db2.gz UCNGFIHIOFUGMF-DENIHFKCSA-N 1 0 404.507 2.451 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)CCCOC1 ZINC000770710567 1078979749 /nfs/dbraw/zinc/97/97/49/1078979749.db2.gz RWHYWMAQPYUZKV-MRXNPFEDSA-N 1 0 421.238 2.368 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)C1 ZINC000746454066 1078983015 /nfs/dbraw/zinc/98/30/15/1078983015.db2.gz NYDPWPIKIZBIOM-HNNXBMFYSA-N 1 0 422.957 2.465 20 0 HEADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000746455144 1078984692 /nfs/dbraw/zinc/98/46/92/1078984692.db2.gz VBKQQTVBDKUCBC-DOMZBBRYSA-N 1 0 407.312 2.258 20 0 HEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccn(CC(F)(F)F)c1=O ZINC001168790971 1078989014 /nfs/dbraw/zinc/98/90/14/1078989014.db2.gz AVOIHDXTADDPAX-HXUWFJFHSA-N 1 0 423.435 2.120 20 0 HEADRO Cc1ncn(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)c1CSCC[NH3+] ZINC001168786241 1078990868 /nfs/dbraw/zinc/99/08/68/1078990868.db2.gz KOCCFSPNAOTHOB-UHFFFAOYSA-N 1 0 411.531 2.393 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)cc1F ZINC000746449842 1078991136 /nfs/dbraw/zinc/99/11/36/1078991136.db2.gz ILSLADWMMUHTRY-YJYMSZOUSA-N 1 0 420.460 2.337 20 0 HEADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCC(=O)Nc3sccc3C(N)=O)C2)nc1 ZINC000746457383 1078997456 /nfs/dbraw/zinc/99/74/56/1078997456.db2.gz PENUDGKFHILUCW-AWEZNQCLSA-N 1 0 415.519 2.230 20 0 HEADRO C[C@H]1CN(c2ccc(NC(=O)C[N@H+](CC(C)(C)O)C3CCOCC3)cc2)C[C@H](C)O1 ZINC000746461929 1079015309 /nfs/dbraw/zinc/01/53/09/1079015309.db2.gz GJDICDDHDSCUTO-ROUUACIJSA-N 1 0 419.566 2.491 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000770789376 1079016660 /nfs/dbraw/zinc/01/66/60/1079016660.db2.gz ARUOPCKMYFGVSS-IBGZPJMESA-N 1 0 416.522 2.001 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000770790784 1079018279 /nfs/dbraw/zinc/01/82/79/1079018279.db2.gz FVCWUSUWNDCRGQ-IBGZPJMESA-N 1 0 416.522 2.204 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000770799607 1079022176 /nfs/dbraw/zinc/02/21/76/1079022176.db2.gz IDFCKDBQYSEFBK-IBGZPJMESA-N 1 0 415.582 2.004 20 0 HEADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000770869787 1079048824 /nfs/dbraw/zinc/04/88/24/1079048824.db2.gz UCDFNAQNFRZODM-UHFFFAOYSA-N 1 0 420.510 2.247 20 0 HEADRO CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1 ZINC001168819365 1079052360 /nfs/dbraw/zinc/05/23/60/1079052360.db2.gz FDWKIEZIBFQCFY-KUHUBIRLSA-N 1 0 413.453 2.018 20 0 HEADRO C[C@@H]1C[C@H](N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)CN1C(=O)OC(C)(C)C ZINC001168853687 1079053100 /nfs/dbraw/zinc/05/31/00/1079053100.db2.gz FGGXDLIEDUDYRD-HVMFNXBNSA-N 1 0 417.554 2.305 20 0 HEADRO COc1cc([C@@H](C)[NH2+]CCN2CCC(OC)CC2)ccc1S(=O)(=O)C(F)F ZINC000766514037 1079053175 /nfs/dbraw/zinc/05/31/75/1079053175.db2.gz DEYZINITFNQLHX-CYBMUJFWSA-N 1 0 406.495 2.453 20 0 HEADRO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)CN1C(=O)OC(C)(C)C ZINC001168860667 1079055733 /nfs/dbraw/zinc/05/57/33/1079055733.db2.gz WEJYDGYNHIFEMJ-FBAVSBLXSA-N 1 0 422.570 2.138 20 0 HEADRO 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 ZINC001168861134 1079056016 /nfs/dbraw/zinc/05/60/16/1079056016.db2.gz WTGVLUZJINNDIO-XFUTXVRSSA-N 1 0 407.555 2.390 20 0 HEADRO 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 ZINC001168861314 1079056135 /nfs/dbraw/zinc/05/61/35/1079056135.db2.gz XSIQBNNRTDRTDQ-UURKPOQGSA-N 1 0 407.555 2.201 20 0 HEADRO 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 ZINC001168861782 1079056467 /nfs/dbraw/zinc/05/64/67/1079056467.db2.gz ZXDPAPBMOGJFGB-VHPHOLNESA-N 1 0 409.571 2.493 20 0 HEADRO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CN1C(=O)OC(C)(C)C ZINC001168864078 1079056835 /nfs/dbraw/zinc/05/68/35/1079056835.db2.gz JLCJPQNYGSWSKW-KLSTYFJDSA-N 1 0 407.555 2.249 20 0 HEADRO C[C@@H]1C[C@@H](N(C[C@H]2CCC[NH2+]2)S(=O)(=O)C(F)(F)F)CN1C(=O)OC(C)(C)C ZINC001168863873 1079056917 /nfs/dbraw/zinc/05/69/17/1079056917.db2.gz KBZIKFXRCRZYIH-JHJVBQTASA-N 1 0 415.478 2.288 20 0 HEADRO C[C@H]1C[C@H]([N@@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168844813 1079059952 /nfs/dbraw/zinc/05/99/52/1079059952.db2.gz DSCVBWAJAZRVNK-LTFXXXRZSA-N 1 0 407.555 2.486 20 0 HEADRO 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 ZINC001168850829 1079062199 /nfs/dbraw/zinc/06/21/99/1079062199.db2.gz RIEKFESOSZZVSY-FQBWVUSXSA-N 1 0 423.554 2.133 20 0 HEADRO [NH3+]Cc1cccc(-c2nnn(-c3c(Br)cnn(-c4ccccc4)c3=O)n2)c1 ZINC001168885139 1079068299 /nfs/dbraw/zinc/06/82/99/1079068299.db2.gz UEKOUJVWVJVCKL-UHFFFAOYSA-N 1 0 424.262 2.096 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc4c(c3)N(C)C(=O)CO4)CC2=O)cc1 ZINC001168914470 1079074777 /nfs/dbraw/zinc/07/47/77/1079074777.db2.gz CZUXRWHCMJOMFS-SFHVURJKSA-N 1 0 409.486 2.331 20 0 HEADRO CC(C)OC(=O)Cc1nc2sc(-c3ccccc3)cc2c(-n2nnnc2C[NH3+])n1 ZINC001168921324 1079075900 /nfs/dbraw/zinc/07/59/00/1079075900.db2.gz YUCGOFKXIDNUGM-UHFFFAOYSA-N 1 0 409.475 2.287 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000770913955 1079075974 /nfs/dbraw/zinc/07/59/74/1079075974.db2.gz PTLXGGVYBJAOQZ-GOSISDBHSA-N 1 0 403.504 2.153 20 0 HEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@@]2(C)C1 ZINC001168932410 1079077637 /nfs/dbraw/zinc/07/76/37/1079077637.db2.gz UHFWHHBQHKOWMR-LZQZEXGQSA-N 1 0 411.593 2.092 20 0 HEADRO Cc1ccc(S(=O)(=O)NCCCC(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)cc1C ZINC001168932869 1079078147 /nfs/dbraw/zinc/07/81/47/1079078147.db2.gz WGWCODSWBUJRLZ-OYRHEFFESA-N 1 0 407.580 2.162 20 0 HEADRO COCCO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC001168951050 1079085259 /nfs/dbraw/zinc/08/52/59/1079085259.db2.gz VVKTUYASLRUGIO-AWEZNQCLSA-N 1 0 409.552 2.182 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCC(NC(=O)c4cccnc4)CC3)CC2=O)cc1 ZINC001168953298 1079085613 /nfs/dbraw/zinc/08/56/13/1079085613.db2.gz HYYKNEBFROYWGF-OAQYLSRUSA-N 1 0 422.529 2.476 20 0 HEADRO C[NH+]1C[C@@]2(C)CN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCOC4)C[C@]2(C)C1 ZINC001168929176 1079088178 /nfs/dbraw/zinc/08/81/78/1079088178.db2.gz GGWCDYDTVKDHOY-IRNNPGBSSA-N 1 0 407.555 2.060 20 0 HEADRO COc1ccccc1-n1c(C)nnc1SCC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001168929718 1079088546 /nfs/dbraw/zinc/08/85/46/1079088546.db2.gz KDLUUOQKFDQQNL-SFTDATJTSA-N 1 0 415.563 2.477 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(c4ccnc(OC)c4)CC3)CC2=O)cc1 ZINC001168954999 1079089948 /nfs/dbraw/zinc/08/99/48/1079089948.db2.gz PGOYRFNEPUHTTE-HXUWFJFHSA-N 1 0 410.518 2.412 20 0 HEADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC001168968719 1079093246 /nfs/dbraw/zinc/09/32/46/1079093246.db2.gz MPKYCEFEOWWGBG-CYBMUJFWSA-N 1 0 407.540 2.273 20 0 HEADRO COC[C@@H]1CCCC[N@H+](C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1 ZINC001169006120 1079098173 /nfs/dbraw/zinc/09/81/73/1079098173.db2.gz YYJOVCLKCLHXQR-MJGOQNOKSA-N 1 0 417.506 2.147 20 0 HEADRO Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc1C ZINC001169041117 1079108367 /nfs/dbraw/zinc/10/83/67/1079108367.db2.gz MXGLAOBRHGLRLO-PMACEKPBSA-N 1 0 413.543 2.067 20 0 HEADRO CC(C)C[C@@H](Cc1ccccc1)n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001169070949 1079123739 /nfs/dbraw/zinc/12/37/39/1079123739.db2.gz VTYDBDLUCUPFOE-JBACZVJFSA-N 1 0 411.550 2.059 20 0 HEADRO CCOC(=O)c1cc2cc(Br)c(-n3cncc3C[C@@H]([NH3+])CO)cc2[nH]1 ZINC001169073814 1079125360 /nfs/dbraw/zinc/12/53/60/1079125360.db2.gz DNQVCGZTNNFRTH-LLVKDONJSA-N 1 0 407.268 2.155 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@](C)(O)C3)cc2Cl)CC1 ZINC000766591056 1079128905 /nfs/dbraw/zinc/12/89/05/1079128905.db2.gz DSCKOBLTGRSWEC-OAQYLSRUSA-N 1 0 422.957 2.184 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@](C)(O)C3)cc2Cl)CC1 ZINC000766591053 1079129002 /nfs/dbraw/zinc/12/90/02/1079129002.db2.gz DSCKOBLTGRSWEC-NRFANRHFSA-N 1 0 422.957 2.184 20 0 HEADRO COC(=O)[C@@H](C[NH3+])Cc1ccc(N[C@@H](CO)[C@@H](O)c2ccc(SC)cc2)cc1 ZINC001169089452 1079138142 /nfs/dbraw/zinc/13/81/42/1079138142.db2.gz MSODPMCAGFOMJL-UXPWSPDFSA-N 1 0 404.532 2.205 20 0 HEADRO COC(=O)[C@@](C)(N)Cc1cn(-c2cc(C3C[NH2+]C3)nc(SC)n2)c2ccccc12 ZINC001169105921 1079132591 /nfs/dbraw/zinc/13/25/91/1079132591.db2.gz MMSFBPDXQPCNNG-NRFANRHFSA-N 1 0 411.531 2.262 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC[C@H]21 ZINC000766586002 1079135764 /nfs/dbraw/zinc/13/57/64/1079135764.db2.gz ZLZMLPJURUGVJY-RHSMWYFYSA-N 1 0 418.925 2.348 20 0 HEADRO COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000766587188 1079136860 /nfs/dbraw/zinc/13/68/60/1079136860.db2.gz WUFSNBCZGGKVJC-MAUKXSAKSA-N 1 0 401.507 2.018 20 0 HEADRO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766587457 1079139289 /nfs/dbraw/zinc/13/92/89/1079139289.db2.gz YXNGTYOEYJCDGT-XJKSGUPXSA-N 1 0 406.595 2.349 20 0 HEADRO NC(=O)C[C@H]([NH2+]CCCN1CCN(c2ccc(Cl)cc2)CC1)C1CCOCC1 ZINC001169125669 1079145644 /nfs/dbraw/zinc/14/56/44/1079145644.db2.gz SYAFAAAMHQJMGX-FQEVSTJZSA-N 1 0 408.974 2.112 20 0 HEADRO CN1[C@H]2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169133202 1079151963 /nfs/dbraw/zinc/15/19/63/1079151963.db2.gz CSMGRNRPJCUZOU-JKEDJMADSA-N 1 0 405.564 2.158 20 0 HEADRO C[C@@H]1CCC[N@H+](CCNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771115931 1079160059 /nfs/dbraw/zinc/16/00/59/1079160059.db2.gz SBSMREYHNSVYHV-XCLFUZPHSA-N 1 0 424.904 2.094 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1 ZINC000766593483 1079161598 /nfs/dbraw/zinc/16/15/98/1079161598.db2.gz IDEWVCZOFZRLKQ-UHFFFAOYSA-N 1 0 402.495 2.162 20 0 HEADRO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)C2)c1 ZINC001169149871 1079166608 /nfs/dbraw/zinc/16/66/08/1079166608.db2.gz OXIMTKKHUABEGK-VQTJNVASSA-N 1 0 416.566 2.237 20 0 HEADRO CCc1ccc(CC[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC001169162508 1079171910 /nfs/dbraw/zinc/17/19/10/1079171910.db2.gz NSJXVMCNYQENES-QGZVFWFLSA-N 1 0 411.550 2.387 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cn(C)c2ccccc12 ZINC001169162715 1079171925 /nfs/dbraw/zinc/17/19/25/1079171925.db2.gz OWKGFDMODFBYPB-MRXNPFEDSA-N 1 0 422.533 2.274 20 0 HEADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC001169164594 1079173077 /nfs/dbraw/zinc/17/30/77/1079173077.db2.gz WFSKNBIRZVOLRE-JKSUJKDBSA-N 1 0 413.522 2.352 20 0 HEADRO Cc1ccc(CC[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c(C)c1 ZINC001169165374 1079173444 /nfs/dbraw/zinc/17/34/44/1079173444.db2.gz ZVOCMWQLNRCEJK-SFHVURJKSA-N 1 0 411.550 2.442 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccc2ncccc12 ZINC001169166373 1079174801 /nfs/dbraw/zinc/17/48/01/1079174801.db2.gz BPUUIKWNPCMXMP-INIZCTEOSA-N 1 0 420.517 2.331 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc2ccccc2cn1 ZINC001169166371 1079174825 /nfs/dbraw/zinc/17/48/25/1079174825.db2.gz BPPDZQVHGVGYHB-INIZCTEOSA-N 1 0 420.517 2.331 20 0 HEADRO O=C(Nc1cccc(CN2CCOC2=O)c1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766608059 1079175906 /nfs/dbraw/zinc/17/59/06/1079175906.db2.gz RYYALRFRWGOJHF-UHFFFAOYSA-N 1 0 414.506 2.054 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001169190684 1079179249 /nfs/dbraw/zinc/17/92/49/1079179249.db2.gz JIIZNYWTXYEWPA-LSDHHAIUSA-N 1 0 411.497 2.360 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccc2cnccc21 ZINC001169194581 1079181424 /nfs/dbraw/zinc/18/14/24/1079181424.db2.gz ZWNNTOJRGABLKN-INIZCTEOSA-N 1 0 420.517 2.331 20 0 HEADRO CC(C)CN1N=C(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)CCC1=O ZINC000766616186 1079181773 /nfs/dbraw/zinc/18/17/73/1079181773.db2.gz OJLQAINKKSFDOB-RTWAWAEBSA-N 1 0 419.614 2.416 20 0 HEADRO C[NH+](C)C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771127459 1079182221 /nfs/dbraw/zinc/18/22/21/1079182221.db2.gz LQUFDZGMLZDING-JLTOFOAXSA-N 1 0 424.904 2.189 20 0 HEADRO Cc1cc(F)cc(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169170977 1079186080 /nfs/dbraw/zinc/18/60/80/1079186080.db2.gz BXLOVOBWIXUUSL-HNNXBMFYSA-N 1 0 401.486 2.230 20 0 HEADRO Cc1cccnc1[C@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC001169172668 1079187321 /nfs/dbraw/zinc/18/73/21/1079187321.db2.gz SSEXCUPZBUMMFO-QFBILLFUSA-N 1 0 424.549 2.437 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](c1cccnc1)C1CC1 ZINC001169182306 1079194381 /nfs/dbraw/zinc/19/43/81/1079194381.db2.gz XOWAUYCSQWBCTF-QAPCUYQASA-N 1 0 410.522 2.128 20 0 HEADRO CC[NH+](CC)C[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771146520 1079194579 /nfs/dbraw/zinc/19/45/79/1079194579.db2.gz TVQSDSHSYARHAL-HXPMCKFVSA-N 1 0 412.893 2.093 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001169182303 1079194478 /nfs/dbraw/zinc/19/44/78/1079194478.db2.gz XOWAUYCSQWBCTF-MAUKXSAKSA-N 1 0 410.522 2.128 20 0 HEADRO CC[NH+](CC)C[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771146511 1079194651 /nfs/dbraw/zinc/19/46/51/1079194651.db2.gz TVQSDSHSYARHAL-CWTRNNRKSA-N 1 0 412.893 2.093 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]1c1nccs1 ZINC001169207644 1079195756 /nfs/dbraw/zinc/19/57/56/1079195756.db2.gz LEXKFUQPSHDLPC-CABCVRRESA-N 1 0 416.551 2.286 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)/C=C\c3ccc4c(c3)NC(=O)CO4)CC[NH2+]2)c1 ZINC001169261806 1079205734 /nfs/dbraw/zinc/20/57/34/1079205734.db2.gz XEOKUZNTLMWGNI-POZKEBTKSA-N 1 0 407.470 2.082 20 0 HEADRO COc1cncc(CCNc2nccc(C[N@@H+]3CC[C@@H](CO)C3)c2C(OC)OC)c1 ZINC001169263836 1079206236 /nfs/dbraw/zinc/20/62/36/1079206236.db2.gz YPAQRRGUWZJRLS-QGZVFWFLSA-N 1 0 416.522 2.245 20 0 HEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000766652492 1079220718 /nfs/dbraw/zinc/22/07/18/1079220718.db2.gz QACZBTJMZKLNPR-LIRRHRJNSA-N 1 0 417.481 2.463 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)Nc3cccc(-n4cccc4)c3)CC2)CC1 ZINC000771242271 1079224348 /nfs/dbraw/zinc/22/43/48/1079224348.db2.gz LYMGKZNTZVVAIM-UHFFFAOYSA-N 1 0 423.561 2.433 20 0 HEADRO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C[NH+](C)C)cc2)C1=O ZINC000771245853 1079226244 /nfs/dbraw/zinc/22/62/44/1079226244.db2.gz QBAUVJXRUUGXMQ-QHCPKHFHSA-N 1 0 424.501 2.471 20 0 HEADRO CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(-n2nnc3ccc(C[NH3+])cc32)c1 ZINC001170023886 1079226696 /nfs/dbraw/zinc/22/66/96/1079226696.db2.gz FRLUMYFEUDJTHY-LJQANCHMSA-N 1 0 424.436 2.209 20 0 HEADRO COc1ccc([C@@H]2CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO2)cc1 ZINC001169311327 1079232747 /nfs/dbraw/zinc/23/27/47/1079232747.db2.gz ZNCDABOLCRQYAT-MOPGFXCFSA-N 1 0 421.538 2.440 20 0 HEADRO Cc1cc(N)n(Nc2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)c(=O)c1 ZINC001169304437 1079230755 /nfs/dbraw/zinc/23/07/55/1079230755.db2.gz ZYMYXHJCHULGHI-OAHLLOKOSA-N 1 0 407.478 2.124 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CO1 ZINC001169346055 1079233180 /nfs/dbraw/zinc/23/31/80/1079233180.db2.gz DACWCZZWWGFUSO-QRTARXTBSA-N 1 0 402.447 2.129 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H](n2cc(Br)ccc2=NCCCC[NH3+])CO1 ZINC001169348662 1079234087 /nfs/dbraw/zinc/23/40/87/1079234087.db2.gz NTWMDYYAHZIDNH-GJZGRUSLSA-N 1 0 400.317 2.173 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H](n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)CO1 ZINC001169344646 1079240895 /nfs/dbraw/zinc/24/08/95/1079240895.db2.gz TWTDMIXLYOIJQX-JCRDWDRISA-N 1 0 403.523 2.352 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCC12CCC[NH+](CCC1)C2 ZINC001169402429 1079251319 /nfs/dbraw/zinc/25/13/19/1079251319.db2.gz OGSRSCLZRDRNTQ-SFHVURJKSA-N 1 0 424.586 2.034 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC(Oc3ncc(Br)cn3)CC2)CO1 ZINC001169404451 1079252087 /nfs/dbraw/zinc/25/20/87/1079252087.db2.gz NBFDHZDONAMAOS-DZGCQCFKSA-N 1 0 414.300 2.193 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)CO1 ZINC001169384865 1079256958 /nfs/dbraw/zinc/25/69/58/1079256958.db2.gz HETPHAJLEJHXLA-OALUTQOASA-N 1 0 401.507 2.007 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H](C[C@@H]3C2)O4)CO1 ZINC001169385385 1079257668 /nfs/dbraw/zinc/25/76/68/1079257668.db2.gz ISJAHPHGCWNKRG-KHMJWOOKSA-N 1 0 424.538 2.197 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CCN(Cc4csc(C)n4)C3=O)CC2)CO1 ZINC001169388381 1079258885 /nfs/dbraw/zinc/25/88/85/1079258885.db2.gz QFINJPBJNQTPDD-MSOLQXFVSA-N 1 0 421.563 2.377 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CO1 ZINC001169389515 1079260071 /nfs/dbraw/zinc/26/00/71/1079260071.db2.gz FFXLCVSWZLHKLH-XHYAQGIWSA-N 1 0 404.507 2.442 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)CO1 ZINC001169391767 1079260844 /nfs/dbraw/zinc/26/08/44/1079260844.db2.gz JYXQQRZQJVSAGI-HVRBKMHZSA-N 1 0 401.507 2.139 20 0 HEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC34CCC[NH+](CCC3)C4)C2)cc1 ZINC001169392319 1079262617 /nfs/dbraw/zinc/26/26/17/1079262617.db2.gz CBYPSWPLYSQBGG-IBGZPJMESA-N 1 0 419.591 2.388 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)CO1 ZINC001169392705 1079262875 /nfs/dbraw/zinc/26/28/75/1079262875.db2.gz BBHBGCUTJLQCHM-ITTUMRLJSA-N 1 0 411.539 2.164 20 0 HEADRO O=C(NCC12CCC[NH+](CCC1)C2)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001169392911 1079263969 /nfs/dbraw/zinc/26/39/69/1079263969.db2.gz FROBAFJKUSOMOR-UHFFFAOYSA-N 1 0 405.564 2.467 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CO1 ZINC001169400188 1079274111 /nfs/dbraw/zinc/27/41/11/1079274111.db2.gz YLYIBTOITLOWHT-RBPRZQKGSA-N 1 0 408.470 2.334 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)CO1 ZINC001169394734 1079266801 /nfs/dbraw/zinc/26/68/01/1079266801.db2.gz FOXFACYANVGSEI-HIUFNZKISA-N 1 0 404.507 2.251 20 0 HEADRO Cc1ccc(N2C[C@@H](C(=O)N3CCN(C4CC[NH+](C(C)C)CC4)CC3)CC2=O)cc1 ZINC000771293286 1079268391 /nfs/dbraw/zinc/26/83/91/1079268391.db2.gz JVECTDXMYJXTCU-FQEVSTJZSA-N 1 0 412.578 2.365 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)CO1 ZINC001169396082 1079268550 /nfs/dbraw/zinc/26/85/50/1079268550.db2.gz KIYDRZIQDKVHCM-RTBURBONSA-N 1 0 401.507 2.149 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000771294240 1079268769 /nfs/dbraw/zinc/26/87/69/1079268769.db2.gz DERPMAVDPXUQQF-UHFFFAOYSA-N 1 0 401.555 2.029 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)CO1 ZINC001169397949 1079270217 /nfs/dbraw/zinc/27/02/17/1079270217.db2.gz OPQATSVFLDEUCV-ZCNNSNEGSA-N 1 0 400.519 2.435 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000771306017 1079276590 /nfs/dbraw/zinc/27/65/90/1079276590.db2.gz WSEFHHUQDGJPTO-UHFFFAOYSA-N 1 0 415.582 2.419 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000771316354 1079282320 /nfs/dbraw/zinc/28/23/20/1079282320.db2.gz MTSJGGSRQJRCRO-NVXWUHKLSA-N 1 0 421.517 2.169 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000771319767 1079284425 /nfs/dbraw/zinc/28/44/25/1079284425.db2.gz LMZXYXTXAIFWFN-KRWDZBQOSA-N 1 0 410.559 2.330 20 0 HEADRO CCC[C@H]1CN(C(=S)NCCc2ccc3c(c2)OCCO3)CC[N@@H+]1CCOC ZINC000766700512 1079285750 /nfs/dbraw/zinc/28/57/50/1079285750.db2.gz QHOVOZAFAGEUII-SFHVURJKSA-N 1 0 407.580 2.308 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)O)C[C@H]1C(=O)N1CCSC1 ZINC001170025183 1079287790 /nfs/dbraw/zinc/28/77/90/1079287790.db2.gz GWBAUVUOWMANKC-GJZGRUSLSA-N 1 0 401.573 2.038 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000771326740 1079288188 /nfs/dbraw/zinc/28/81/88/1079288188.db2.gz LDBDSOOSLCBFSB-FQEVSTJZSA-N 1 0 415.582 2.206 20 0 HEADRO CC(C)OCC[NH+]1CCC(NC(=O)NC2CCC(O)(c3cccnc3)CC2)CC1 ZINC000771330432 1079290356 /nfs/dbraw/zinc/29/03/56/1079290356.db2.gz HYSALJXBEBXADD-UHFFFAOYSA-N 1 0 404.555 2.400 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 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Cc1nc(CN2CC[C@]3(CC[N@@H+](C4CCC(S(C)(=O)=O)CC4)C3)C2=O)cs1 ZINC001169879567 1079452435 /nfs/dbraw/zinc/45/24/35/1079452435.db2.gz DTCCFKFLUSXVHA-FAFZWHIHSA-N 1 0 411.593 2.232 20 0 HEADRO COC(=O)c1cc2c(nc1N(C(C)C)C1CCC(S(C)(=O)=O)CC1)CC[NH2+]CC2 ZINC001169879795 1079453054 /nfs/dbraw/zinc/45/30/54/1079453054.db2.gz FIZPOPXFHGNJFY-UHFFFAOYSA-N 1 0 423.579 2.127 20 0 HEADRO Cc1nc(CN2CC[C@@]3(CC[N@@H+](C4CCC(S(C)(=O)=O)CC4)C3)C2=O)cs1 ZINC001169879569 1079453313 /nfs/dbraw/zinc/45/33/13/1079453313.db2.gz DTCCFKFLUSXVHA-TVPLGVNVSA-N 1 0 411.593 2.232 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000771677301 1079462560 /nfs/dbraw/zinc/46/25/60/1079462560.db2.gz WCPWLKPAJXECGG-UHFFFAOYSA-N 1 0 408.587 2.260 20 0 HEADRO COC(=O)c1cccc(C(=O)N2CCC([NH2+]C3CCC(S(C)(=O)=O)CC3)CC2)c1 ZINC001169865500 1079462712 /nfs/dbraw/zinc/46/27/12/1079462712.db2.gz IMVZEIKVNHGCGN-UHFFFAOYSA-N 1 0 422.547 2.023 20 0 HEADRO COC(=O)c1ccccc1CN1CCC([NH2+]C2CCC(S(C)(=O)=O)CC2)CC1 ZINC001169865517 1079462779 /nfs/dbraw/zinc/46/27/79/1079462779.db2.gz JLAVGHOXVCKPAA-UHFFFAOYSA-N 1 0 408.564 2.383 20 0 HEADRO COC(=O)[C@H](CCCC[NH2+][C@H]1CCCC2(C1)OCCO2)NC(=O)OC(C)(C)C ZINC001169906478 1079472604 /nfs/dbraw/zinc/47/26/04/1079472604.db2.gz WPDILORRQSUMGE-HOTGVXAUSA-N 1 0 400.516 2.498 20 0 HEADRO CN(CC[N@H+](C)C1CC1)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000771742313 1079474931 /nfs/dbraw/zinc/47/49/31/1079474931.db2.gz DMZBPRHRNASFBY-HSZRJFAPSA-N 1 0 408.502 2.159 20 0 HEADRO COC(=O)[C@](C)(NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1cccc(Br)c1 ZINC000766881114 1079476966 /nfs/dbraw/zinc/47/69/66/1079476966.db2.gz UHCWDMUOZZKEKN-RHSMWYFYSA-N 1 0 415.353 2.391 20 0 HEADRO CC(C)(C)OC(=O)N1CCOC[C@]2(C[N@@H+]([C@@H]3CCCC4(C3)OCCO4)CCO2)C1 ZINC001169933644 1079479986 /nfs/dbraw/zinc/47/99/86/1079479986.db2.gz IFTZESBOJAKDQQ-XLIONFOSSA-N 1 0 412.527 2.010 20 0 HEADRO CC(C)(C)OC(=O)N1CCOC[C@@]2(C[N@@H+]([C@@H]3CCCC4(C3)OCCO4)CCO2)C1 ZINC001169933645 1079480251 /nfs/dbraw/zinc/48/02/51/1079480251.db2.gz IFTZESBOJAKDQQ-YLJYHZDGSA-N 1 0 412.527 2.010 20 0 HEADRO CC(C)CN1C[C@@H]2C[N@H+](CC3(O)CCC(C(=O)OC(C)(C)C)CC3)CCN2C1=O ZINC001169934065 1079480948 /nfs/dbraw/zinc/48/09/48/1079480948.db2.gz WLOHPCCLMIWIFX-DKTYTTGXSA-N 1 0 409.571 2.327 20 0 HEADRO COC(=O)c1ccc(C(=O)N2CCC([NH2+][C@@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169922917 1079485210 /nfs/dbraw/zinc/48/52/10/1079485210.db2.gz GBAOEVOHMCWNMA-LJQANCHMSA-N 1 0 402.491 2.353 20 0 HEADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)c1ccccc1 ZINC000737290801 1075895353 /nfs/dbraw/zinc/89/53/53/1075895353.db2.gz XPHOSLWKSLTAAW-INIZCTEOSA-N 1 0 406.490 2.451 20 0 HEADRO CC1CCN(c2ccc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC000737293824 1075895585 /nfs/dbraw/zinc/89/55/85/1075895585.db2.gz BJUVPLHNGROXDN-OAQYLSRUSA-N 1 0 416.566 2.215 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(C(=O)CC[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169967565 1079486531 /nfs/dbraw/zinc/48/65/31/1079486531.db2.gz NXMZHQANUFVOCJ-UHFFFAOYSA-N 1 0 412.575 2.456 20 0 HEADRO COc1cccc(/C=C(/C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n2nnnc2C)c1 ZINC000737690892 1075919705 /nfs/dbraw/zinc/91/97/05/1075919705.db2.gz FSQBMRTZXVCMEG-JIVYGXRASA-N 1 0 410.522 2.465 20 0 HEADRO Cc1nc(N(CC2CC2)[C@H]2CCCC3(C2)OCCO3)nc2c1COC[C@@]21CC[NH2+]C1 ZINC001169947803 1079489500 /nfs/dbraw/zinc/48/95/00/1079489500.db2.gz GNQSXRIZAVPPQH-AVRDEDQJSA-N 1 0 414.550 2.448 20 0 HEADRO CN(CCCC[NH+](C)C)C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000740709894 1079492034 /nfs/dbraw/zinc/49/20/34/1079492034.db2.gz BOPRERHVRICUNS-AQTBWJFISA-N 1 0 407.580 2.499 20 0 HEADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000737816361 1075930853 /nfs/dbraw/zinc/93/08/53/1075930853.db2.gz IOORTYRWQZFDMG-SFHVURJKSA-N 1 0 417.485 2.286 20 0 HEADRO Cc1ccc(N2CCOC[C@]3(CCC[N@@H+]([C@@H]4CCCC5(C4)OCCO5)C3)C2)nn1 ZINC001169951191 1079491562 /nfs/dbraw/zinc/49/15/62/1079491562.db2.gz XRWIEJWSRCZYNY-CTNGQTDRSA-N 1 0 402.539 2.390 20 0 HEADRO CC(C)Cn1c(=S)n(CN2CCC[C@H]2C[NH+]2CCCC2)nc1N1CCOCC1 ZINC000738103468 1075960416 /nfs/dbraw/zinc/96/04/16/1075960416.db2.gz FDFPNPKYRGFCJA-SFHVURJKSA-N 1 0 408.616 2.424 20 0 HEADRO Cn1c(=O)cc(Nc2ccc([C@]34CC[NH2+][C@H]3COCC4)cc2)n(-c2ccccc2)c1=O ZINC001169959051 1079494521 /nfs/dbraw/zinc/49/45/21/1079494521.db2.gz VYOUUYJSHUWJQO-GBXCKJPGSA-N 1 0 418.497 2.300 20 0 HEADRO C[NH+](C)[C@@H]1CCCN(Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)C1 ZINC000738143077 1075962915 /nfs/dbraw/zinc/96/29/15/1075962915.db2.gz IJTNMJIMMUVGDQ-LJQANCHMSA-N 1 0 416.595 2.282 20 0 HEADRO O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=O)N1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000738104597 1075963287 /nfs/dbraw/zinc/96/32/87/1075963287.db2.gz MAXWHKHNQLNGNX-GYVBGXKYSA-N 1 0 414.550 2.264 20 0 HEADRO O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC(n2ccnc2)CC1 ZINC000738109597 1075964690 /nfs/dbraw/zinc/96/46/90/1075964690.db2.gz GWZWPQQFJWAESL-QHCPKHFHSA-N 1 0 422.533 2.064 20 0 HEADRO Cn1c(=O)cc(Nc2cccc3cc([C@H]4C[NH2+]CCO4)cn32)n(-c2ccccc2)c1=O ZINC001169959694 1079494990 /nfs/dbraw/zinc/49/49/90/1079494990.db2.gz BQAOOJKKWHMUOD-LJQANCHMSA-N 1 0 417.469 2.193 20 0 HEADRO Cc1nn(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(=S)n1-c1ccccc1C ZINC000738155208 1075969954 /nfs/dbraw/zinc/96/99/54/1075969954.db2.gz DPDAAEMYJVPFDL-UHFFFAOYSA-N 1 0 414.579 2.218 20 0 HEADRO O=C(C[NH+]1CCCC1)N1CCN(Cn2nc(Cc3cccc(F)c3)oc2=S)CC1 ZINC000738157688 1075970381 /nfs/dbraw/zinc/97/03/81/1075970381.db2.gz YQIDLGLVLUZSAD-UHFFFAOYSA-N 1 0 419.526 2.133 20 0 HEADRO Cc1ccccc1-c1nn(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(=S)o1 ZINC000738160331 1075970765 /nfs/dbraw/zinc/97/07/65/1075970765.db2.gz IKTQDORNDMJKIG-UHFFFAOYSA-N 1 0 401.536 2.379 20 0 HEADRO O=C(NCCS(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OCc1ccccc1 ZINC000771775327 1079495471 /nfs/dbraw/zinc/49/54/71/1079495471.db2.gz KQUPFPFRJIAWMG-AZUAARDMSA-N 1 0 421.563 2.191 20 0 HEADRO C[N@@H+]1CCC[C@@H](N2CCN(Cn3nc(N4CCCCC4)n(C4CC4)c3=S)CC2)C1 ZINC000738214153 1075974412 /nfs/dbraw/zinc/97/44/12/1075974412.db2.gz NNVPSKWWHKXSJD-LJQANCHMSA-N 1 0 419.643 2.409 20 0 HEADRO NC(=O)CCn1c(-c2ccco2)nn(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1=S ZINC000738270192 1075978081 /nfs/dbraw/zinc/97/80/81/1075978081.db2.gz JHIDIGXROBVUJY-INIZCTEOSA-N 1 0 418.567 2.457 20 0 HEADRO Cc1nn(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)c(=O)c2ccccc12 ZINC000738282784 1075978769 /nfs/dbraw/zinc/97/87/69/1075978769.db2.gz BMACYOLACOJAOP-UHFFFAOYSA-N 1 0 421.545 2.425 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(Cn2nc(C(C)(C)C)ccc2=O)CC1 ZINC000738283317 1075978908 /nfs/dbraw/zinc/97/89/08/1075978908.db2.gz FJCKEEQAQJCQGY-UHFFFAOYSA-N 1 0 413.566 2.261 20 0 HEADRO CC(C)[C@H]1C[N@H+](C)CCN1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000738286584 1075979672 /nfs/dbraw/zinc/97/96/72/1075979672.db2.gz XLOGAXKJNIRFBY-VQIMIIECSA-N 1 0 423.355 2.446 20 0 HEADRO CCOC(=O)C1=C(CN2CCC[C@@H]([NH+]3CCCC3)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000738334035 1075983605 /nfs/dbraw/zinc/98/36/05/1075983605.db2.gz BLRRVBRNMIAYKN-OXQOHEQNSA-N 1 0 416.522 2.401 20 0 HEADRO Cc1ccc2c(C[NH+]3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)cc(=O)oc2c1 ZINC000738318221 1075988969 /nfs/dbraw/zinc/98/89/69/1075988969.db2.gz BASPPJLVFUCNBV-UHFFFAOYSA-N 1 0 411.502 2.037 20 0 HEADRO O=C(CCN1CCC[N@H+](C[C@@H]2CCCO2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000738318126 1075989042 /nfs/dbraw/zinc/98/90/42/1075989042.db2.gz OQVFLLIGLKHQRB-QFIPXVFZSA-N 1 0 416.566 2.039 20 0 HEADRO O=S(=O)(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC000738355585 1075997744 /nfs/dbraw/zinc/99/77/44/1075997744.db2.gz XRTXTMYNVSJSOT-UHFFFAOYSA-N 1 0 408.955 2.221 20 0 HEADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)ccc21 ZINC000738521507 1075999406 /nfs/dbraw/zinc/99/94/06/1075999406.db2.gz OIKOCTGLABODBI-UHFFFAOYSA-N 1 0 422.529 2.046 20 0 HEADRO CN(C(=O)NC[C@H]1COC2(CCCCCC2)O1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771776818 1079498510 /nfs/dbraw/zinc/49/85/10/1079498510.db2.gz GQVWCTDSOAFYGY-PMACEKPBSA-N 1 0 408.587 2.262 20 0 HEADRO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738527376 1075999760 /nfs/dbraw/zinc/99/97/60/1075999760.db2.gz ZFVGELAHWAXXEE-HNNXBMFYSA-N 1 0 407.511 2.213 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)CC1=O ZINC000738548116 1076000856 /nfs/dbraw/zinc/00/08/56/1076000856.db2.gz ISAIMZPKSGYFDB-WAOWUJCRSA-N 1 0 414.550 2.183 20 0 HEADRO CN(C(=O)NC[C@@H]1COC2(CCCCCC2)O1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771776826 1079498659 /nfs/dbraw/zinc/49/86/59/1079498659.db2.gz GQVWCTDSOAFYGY-VQTJNVASSA-N 1 0 408.587 2.262 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+]([C@H](C)C(=O)N[C@@H](C)c1ccccc1OC)CC2 ZINC000771780400 1079501377 /nfs/dbraw/zinc/50/13/77/1079501377.db2.gz VQSOYSQNEINZNG-LSDHHAIUSA-N 1 0 403.479 2.045 20 0 HEADRO CN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771779936 1079501810 /nfs/dbraw/zinc/50/18/10/1079501810.db2.gz ZHMGAUDJJNEBPJ-GOSISDBHSA-N 1 0 423.602 2.244 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C)CC2 ZINC000771779677 1079502642 /nfs/dbraw/zinc/50/26/42/1079502642.db2.gz NQCCJNUFXBIUSI-HNNXBMFYSA-N 1 0 416.478 2.124 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)[NH+]1CCC(C)CC1 ZINC000739083307 1076033130 /nfs/dbraw/zinc/03/31/30/1076033130.db2.gz XLVCBNJNWCLSPH-QZTJIDSGSA-N 1 0 402.539 2.087 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000739084794 1076034620 /nfs/dbraw/zinc/03/46/20/1076034620.db2.gz FEECRVACGQKIKL-LPHOPBHVSA-N 1 0 404.555 2.333 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N3CCCSCC3)cc2)CC1 ZINC000739067207 1076035882 /nfs/dbraw/zinc/03/58/82/1076035882.db2.gz LFYVYIYZJRKUMP-UHFFFAOYSA-N 1 0 404.580 2.369 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000739066963 1076036225 /nfs/dbraw/zinc/03/62/25/1076036225.db2.gz JZAFCQUTRVKGTH-KZNAEPCWSA-N 1 0 402.539 2.087 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000739069359 1076036531 /nfs/dbraw/zinc/03/65/31/1076036531.db2.gz SGECPGRNHKQOMU-KRWDZBQOSA-N 1 0 410.518 2.228 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)[N@@H+]1CCCC[C@H]1C ZINC000739073414 1076038157 /nfs/dbraw/zinc/03/81/57/1076038157.db2.gz ZVAGXXDORYYHNS-FGTMMUONSA-N 1 0 402.539 2.229 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000739084106 1076041368 /nfs/dbraw/zinc/04/13/68/1076041368.db2.gz YVGYGMSOSKLLNX-GHTZIAJQSA-N 1 0 424.545 2.139 20 0 HEADRO CCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739089864 1076043081 /nfs/dbraw/zinc/04/30/81/1076043081.db2.gz QOUDMCBBVLQHNV-JOCHJYFZSA-N 1 0 404.555 2.070 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000739090013 1076043671 /nfs/dbraw/zinc/04/36/71/1076043671.db2.gz RTPGNKISTFQAEL-QWHCGFSZSA-N 1 0 417.453 2.101 20 0 HEADRO NC(=O)[C@H]1CC(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)=NN1c1ccccc1 ZINC000739648767 1076069306 /nfs/dbraw/zinc/06/93/06/1076069306.db2.gz HXAYYRDUWSTTIA-OAQYLSRUSA-N 1 0 405.502 2.236 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)cn2)CC1 ZINC000739688575 1076072047 /nfs/dbraw/zinc/07/20/47/1076072047.db2.gz PLDHABPYPZZJJY-IRXDYDNUSA-N 1 0 403.527 2.465 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)cn2)CC1 ZINC000739688576 1076072107 /nfs/dbraw/zinc/07/21/07/1076072107.db2.gz PLDHABPYPZZJJY-SJORKVTESA-N 1 0 403.527 2.465 20 0 HEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1F ZINC000739787611 1076082332 /nfs/dbraw/zinc/08/23/32/1076082332.db2.gz IORKSIHTICVKTF-HNNXBMFYSA-N 1 0 411.543 2.460 20 0 HEADRO CC[C@H]1CCCCC[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000739926612 1076093885 /nfs/dbraw/zinc/09/38/85/1076093885.db2.gz ILCVMFQEEHQCNI-HRAATJIYSA-N 1 0 402.495 2.148 20 0 HEADRO C[C@](O)(CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000740034136 1076097701 /nfs/dbraw/zinc/09/77/01/1076097701.db2.gz SLYHLZKEZJVZFA-NRFANRHFSA-N 1 0 402.564 2.467 20 0 HEADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000740014123 1076102424 /nfs/dbraw/zinc/10/24/24/1076102424.db2.gz DDQLCHAYWPLRLY-INIZCTEOSA-N 1 0 412.895 2.306 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC000740301336 1076140138 /nfs/dbraw/zinc/14/01/38/1076140138.db2.gz DAUFQOHURIKFJL-QGZVFWFLSA-N 1 0 421.925 2.380 20 0 HEADRO CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2N2CC[NH+](C)CC2)ccc1F ZINC000737381079 1076152907 /nfs/dbraw/zinc/15/29/07/1076152907.db2.gz YTOVDNKWOLKYKB-UHFFFAOYSA-N 1 0 406.483 2.337 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)C[NH+]1CCCCC1 ZINC000740491618 1076172180 /nfs/dbraw/zinc/17/21/80/1076172180.db2.gz MXXZHTVJUGSTHK-QYZOEREBSA-N 1 0 416.566 2.477 20 0 HEADRO O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000740493191 1076172781 /nfs/dbraw/zinc/17/27/81/1076172781.db2.gz BUEXLZNDUFKAMM-UHFFFAOYSA-N 1 0 411.502 2.167 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C)C[NH+]1CCCCC1 ZINC000740494632 1076174325 /nfs/dbraw/zinc/17/43/25/1076174325.db2.gz GURGUCNLMOJWAP-INIZCTEOSA-N 1 0 402.539 2.392 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)Nc2ccccc2N2CC[NH+](C)CC2)ccc1OC ZINC000740603946 1076212303 /nfs/dbraw/zinc/21/23/03/1076212303.db2.gz CEGCFOFEQNBCDR-UHFFFAOYSA-N 1 0 419.503 2.034 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1OC ZINC000740605204 1076212792 /nfs/dbraw/zinc/21/27/92/1076212792.db2.gz PDVZJEPHJWWKKK-UHFFFAOYSA-N 1 0 419.503 2.034 20 0 HEADRO CC(C)n1ccc(CC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC000740751265 1076234314 /nfs/dbraw/zinc/23/43/14/1076234314.db2.gz XKXZGWMLDLUIMW-HXUWFJFHSA-N 1 0 410.566 2.462 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C[C@@H]1C ZINC000740841425 1076264243 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417.300 2.014 20 0 HEADRO CNS(=O)(=O)c1ccc(C(=O)OC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000741120432 1076379492 /nfs/dbraw/zinc/37/94/92/1076379492.db2.gz GGUFNYLMGISLFR-YLJYHZDGSA-N 1 0 418.515 2.453 20 0 HEADRO COCCn1cc(C(=O)OC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(OC)cc2)ccc1=O ZINC000741120336 1076379533 /nfs/dbraw/zinc/37/95/33/1076379533.db2.gz DZYMQHUYUYEPRZ-WIYYLYMNSA-N 1 0 400.475 2.353 20 0 HEADRO COc1ccc([C@H]2[C@H](COC(=O)CN3C(=O)NC4(CCCC4)C3=O)CC[N@@H+]2C)cc1 ZINC000741124990 1076380585 /nfs/dbraw/zinc/38/05/85/1076380585.db2.gz SBSDCNYFBVNSIV-LPHOPBHVSA-N 1 0 415.490 2.096 20 0 HEADRO CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000741139287 1076383132 /nfs/dbraw/zinc/38/31/32/1076383132.db2.gz KVHUBRBOBOHAFA-ROUUACIJSA-N 1 0 402.539 2.183 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000741222950 1076411126 /nfs/dbraw/zinc/41/11/26/1076411126.db2.gz DCFNWTKRUIYHCS-YLJYHZDGSA-N 1 0 404.507 2.344 20 0 HEADRO CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000741279577 1076443396 /nfs/dbraw/zinc/44/33/96/1076443396.db2.gz YNNSFJBGQZJXRN-UHFFFAOYSA-N 1 0 410.518 2.296 20 0 HEADRO CC[C@@H]1CN(CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CCN1CC(F)F ZINC000766267848 1076450176 /nfs/dbraw/zinc/45/01/76/1076450176.db2.gz HXWREJJKAMVNLM-LJQANCHMSA-N 1 0 423.552 2.428 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NC(=O)c3cccs3)cc2)CC1 ZINC000741339983 1076472382 /nfs/dbraw/zinc/47/23/82/1076472382.db2.gz AMXRGNJSNUTZHD-UHFFFAOYSA-N 1 0 401.488 2.003 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NCCc3ccc(F)cc3)cc2)CC1 ZINC000741341715 1076475009 /nfs/dbraw/zinc/47/50/09/1076475009.db2.gz NMVSUXJIDMPSHO-UHFFFAOYSA-N 1 0 413.493 2.483 20 0 HEADRO O=C(COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1nnc([C@H]2CCCO2)o1 ZINC000741328347 1076477846 /nfs/dbraw/zinc/47/78/46/1076477846.db2.gz RKWORIMPNWNMIL-DLBZAZTESA-N 1 0 414.462 2.315 20 0 HEADRO O=C(COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)NC(=O)NC1CCCC1 ZINC000741327932 1076477977 /nfs/dbraw/zinc/47/79/77/1076477977.db2.gz JQKPBPVGDWFENQ-MRXNPFEDSA-N 1 0 405.470 2.349 20 0 HEADRO CNC(=O)[C@H](NC(=O)COC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000741330133 1076478544 /nfs/dbraw/zinc/47/85/44/1076478544.db2.gz NNOPEURFNSBIFF-JOCHJYFZSA-N 1 0 423.513 2.045 20 0 HEADRO COC(=O)CCc1nc(COC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)no1 ZINC000741329632 1076478675 /nfs/dbraw/zinc/47/86/75/1076478675.db2.gz OOPWBTYXQXJPRS-HNNXBMFYSA-N 1 0 405.426 2.270 20 0 HEADRO O=C(COC(=O)C1CC[NH+](Cc2ccccc2)CC1)NC(=O)NCc1ccccc1 ZINC000741330756 1076478934 /nfs/dbraw/zinc/47/89/34/1076478934.db2.gz SDJQNDSQYCFQKJ-UHFFFAOYSA-N 1 0 409.486 2.468 20 0 HEADRO O=C(COC(=O)C1CC[NH+](Cc2ccccc2)CC1)NC1CCC2(CC1)OCCO2 ZINC000741330795 1076479007 /nfs/dbraw/zinc/47/90/07/1076479007.db2.gz QZADTBIMXWAOMG-UHFFFAOYSA-N 1 0 416.518 2.244 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NCc3cccc(OC)c3)cc2)CC1 ZINC000741343751 1076487394 /nfs/dbraw/zinc/48/73/94/1076487394.db2.gz ROVCHPSYYWFFDX-UHFFFAOYSA-N 1 0 411.502 2.310 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCc3ccc(C)c(OC)c3)cc2)CC1 ZINC000741429130 1076521408 /nfs/dbraw/zinc/52/14/08/1076521408.db2.gz LNWNKMJQEQFSCO-UHFFFAOYSA-N 1 0 424.545 2.443 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1)C1CC[NH+](C)CC1 ZINC000741430503 1076523319 /nfs/dbraw/zinc/52/33/19/1076523319.db2.gz HTQRDGGMBDAIKZ-AQNXPRMDSA-N 1 0 414.550 2.085 20 0 HEADRO C[C@@H]1C[C@H](N(C)C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC[N@@H+]1C ZINC000741587386 1076546423 /nfs/dbraw/zinc/54/64/23/1076546423.db2.gz FPTGCLMKESDHEV-NVXWUHKLSA-N 1 0 420.558 2.405 20 0 HEADRO 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 ZINC000741586845 1076546744 /nfs/dbraw/zinc/54/67/44/1076546744.db2.gz BIKDYHRQCUCUNC-RHSMWYFYSA-N 1 0 407.536 2.042 20 0 HEADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Cl ZINC000741589180 1076547031 /nfs/dbraw/zinc/54/70/31/1076547031.db2.gz LJIWGMNDFLDICU-TZMCWYRMSA-N 1 0 403.932 2.077 20 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Cc1c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000741624746 1076570058 /nfs/dbraw/zinc/57/00/58/1076570058.db2.gz KFOBISVOHDBNPV-KRWDZBQOSA-N 1 0 420.558 2.325 20 0 HEADRO CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)[C@@H]1CCC[N@H+](C)C1 ZINC000741626949 1076571010 /nfs/dbraw/zinc/57/10/10/1076571010.db2.gz YSMZGDNLDFPVIY-AUSIDOKSSA-N 1 0 408.502 2.159 20 0 HEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)C1 ZINC000741689111 1076587078 /nfs/dbraw/zinc/58/70/78/1076587078.db2.gz OCNRIOXUKZTCAR-HXUWFJFHSA-N 1 0 417.550 2.145 20 0 HEADRO COCCC[N@H+](C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000741725959 1076608355 /nfs/dbraw/zinc/60/83/55/1076608355.db2.gz ARFPHEZYEJSWJH-UHFFFAOYSA-N 1 0 419.975 2.115 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC(OCCCOC)CC3)cc2)CC1 ZINC000741790268 1076628929 /nfs/dbraw/zinc/62/89/29/1076628929.db2.gz FPQZZDYVUHMXFK-UHFFFAOYSA-N 1 0 418.582 2.285 20 0 HEADRO CCOC(=O)C1C(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)=NC(=O)N[C@H]1c1ccccc1 ZINC000741790956 1076629173 /nfs/dbraw/zinc/62/91/73/1076629173.db2.gz ONDXYORRUNBBGJ-VPWXQRGCSA-N 1 0 400.523 2.272 20 0 HEADRO CC(C)(NS(C)(=O)=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000742064797 1076731873 /nfs/dbraw/zinc/73/18/73/1076731873.db2.gz VCJSRMTZTREESQ-UHFFFAOYSA-N 1 0 424.567 2.158 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000742075292 1076736234 /nfs/dbraw/zinc/73/62/34/1076736234.db2.gz UGKRWUCBJQGIDW-KRWDZBQOSA-N 1 0 413.474 2.486 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742103677 1076742784 /nfs/dbraw/zinc/74/27/84/1076742784.db2.gz BPPXKKFGDUZPKT-UXHICEINSA-N 1 0 417.550 2.303 20 0 HEADRO O=C(OCc1ccccc1)N1CCC(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000742107817 1076744140 /nfs/dbraw/zinc/74/41/40/1076744140.db2.gz VBWWBCHGRQVRDD-HXUWFJFHSA-N 1 0 415.534 2.216 20 0 HEADRO 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CC(C)(C)OC(=O)N(CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000767944757 1080236331 /nfs/dbraw/zinc/23/63/31/1080236331.db2.gz JOJSXZFAZLLOBS-ZWKOTPCHSA-N 1 0 410.559 2.063 20 0 HEADRO CN(CC1CC[NH+](C)CC1)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000767958560 1080251118 /nfs/dbraw/zinc/25/11/18/1080251118.db2.gz GHPICDFYGCGEKD-AYHJJNSGSA-N 1 0 407.555 2.249 20 0 HEADRO CC(C)(C)OC(=O)NC(C)(C)CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000767959421 1080251998 /nfs/dbraw/zinc/25/19/98/1080251998.db2.gz MFMPJAUGGDCJOC-IRXDYDNUSA-N 1 0 412.575 2.357 20 0 HEADRO CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000767966043 1080255914 /nfs/dbraw/zinc/25/59/14/1080255914.db2.gz JSJMVIYJMIPSKQ-SFHVURJKSA-N 1 0 418.444 2.024 20 0 HEADRO C[NH+](C)Cc1ccc(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 ZINC000767994484 1080263837 /nfs/dbraw/zinc/26/38/37/1080263837.db2.gz IJKPEDMVERFEIQ-UHFFFAOYSA-N 1 0 416.547 2.082 20 0 HEADRO 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20 0 HEADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768222185 1080427475 /nfs/dbraw/zinc/42/74/75/1080427475.db2.gz FRUKYXUZWLHVCV-QUCCMNQESA-N 1 0 410.603 2.018 20 0 HEADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)C2=O)n(C)n1 ZINC000768227831 1080430993 /nfs/dbraw/zinc/43/09/93/1080430993.db2.gz HHAKMEMKGSTUQL-WBVHZDCISA-N 1 0 405.543 2.459 20 0 HEADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)C2=O)n(C)n1 ZINC000768227830 1080431288 /nfs/dbraw/zinc/43/12/88/1080431288.db2.gz HHAKMEMKGSTUQL-RDJZCZTQSA-N 1 0 405.543 2.459 20 0 HEADRO C[C@H]1[C@H](C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786166735 1080433626 /nfs/dbraw/zinc/43/36/26/1080433626.db2.gz HFNVBKIFPZUVMC-PKOBYXMFSA-N 1 0 408.587 2.118 20 0 HEADRO O=C([C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCOCC2)C1)N1CCOCC1 ZINC000768234463 1080435051 /nfs/dbraw/zinc/43/50/51/1080435051.db2.gz LMEXOIKBGCZOSC-HXUWFJFHSA-N 1 0 424.545 2.142 20 0 HEADRO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768237811 1080437806 /nfs/dbraw/zinc/43/78/06/1080437806.db2.gz OCEAMPUIYNQBHQ-PXNSSMCTSA-N 1 0 424.563 2.217 20 0 HEADRO 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 ZINC000768248105 1080438716 /nfs/dbraw/zinc/43/87/16/1080438716.db2.gz JHYCTGWQQVMVLL-MKXAEBJUSA-N 1 0 405.539 2.190 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)CC2)c1 ZINC000786189697 1080466095 /nfs/dbraw/zinc/46/60/95/1080466095.db2.gz ZVUOQKDRUYOIRR-WBVHZDCISA-N 1 0 404.511 2.384 20 0 HEADRO C[C@H]1[C@@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786201114 1080470058 /nfs/dbraw/zinc/47/00/58/1080470058.db2.gz GJSDHEXERXVXDM-BYDNXPSSSA-N 1 0 420.598 2.401 20 0 HEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000768302407 1080473858 /nfs/dbraw/zinc/47/38/58/1080473858.db2.gz XSRBSEBBSHYVML-UHFFFAOYSA-N 1 0 411.502 2.206 20 0 HEADRO CC(C)([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCOCC1 ZINC000786169998 1080477714 /nfs/dbraw/zinc/47/77/14/1080477714.db2.gz CEORQIMWKAXPQY-UHFFFAOYSA-N 1 0 409.552 2.204 20 0 HEADRO C[N@H+](CCCO)C1CCN(C(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000768319440 1080507135 /nfs/dbraw/zinc/50/71/35/1080507135.db2.gz GRAXHPHOFGFMTL-FQEVSTJZSA-N 1 0 417.550 2.340 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(C)CCO[C@H]3C3CC3)cc2)CC1 ZINC000768368907 1080517448 /nfs/dbraw/zinc/51/74/48/1080517448.db2.gz VFWHTTQONNQDQN-REWPJTCUSA-N 1 0 414.550 2.088 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000786271191 1080520344 /nfs/dbraw/zinc/52/03/44/1080520344.db2.gz VMGIAJWLVUGAFO-IAGOWNOFSA-N 1 0 403.523 2.215 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000786285405 1080530762 /nfs/dbraw/zinc/53/07/62/1080530762.db2.gz GPHXYSNMHFDHNM-UHFFFAOYSA-N 1 0 423.513 2.465 20 0 HEADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000768424432 1080546170 /nfs/dbraw/zinc/54/61/70/1080546170.db2.gz QDPBTUREURANNS-QGZVFWFLSA-N 1 0 407.511 2.410 20 0 HEADRO Cc1c(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cccc1N1CCNC1=O ZINC000786313126 1080558580 /nfs/dbraw/zinc/55/85/80/1080558580.db2.gz PHFQQVSDGMABDH-QGZVFWFLSA-N 1 0 401.511 2.290 20 0 HEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000786325776 1080562926 /nfs/dbraw/zinc/56/29/26/1080562926.db2.gz FVCHZYUWGCXULE-IRXDYDNUSA-N 1 0 421.925 2.437 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000786328773 1080564081 /nfs/dbraw/zinc/56/40/81/1080564081.db2.gz AYUSXGKUNQLMNZ-IAGOWNOFSA-N 1 0 424.586 2.079 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000786386800 1080581086 /nfs/dbraw/zinc/58/10/86/1080581086.db2.gz CQXRLRUOJQRKMX-PXNSSMCTSA-N 1 0 413.518 2.206 20 0 HEADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)CC[N@@H+]1C ZINC000786408261 1080589340 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XRNSWUPOOWIINS-SJLPKXTDSA-N 1 0 402.491 2.042 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000768576157 1080641070 /nfs/dbraw/zinc/64/10/70/1080641070.db2.gz BQHACKBFHQZLHR-YSGRDPCXSA-N 1 0 403.498 2.063 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000768577525 1080643322 /nfs/dbraw/zinc/64/33/22/1080643322.db2.gz IGYBGARSNQJIHD-DLBZAZTESA-N 1 0 416.490 2.181 20 0 HEADRO O=C(C[C@H](c1ccccc1)N1CCOC1=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000768579426 1080644450 /nfs/dbraw/zinc/64/44/50/1080644450.db2.gz JFTHQJXLJFPJJC-HBMCJLEFSA-N 1 0 415.534 2.454 20 0 HEADRO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000746589882 1080659641 /nfs/dbraw/zinc/65/96/41/1080659641.db2.gz UETXCQPTCGTROT-QGZVFWFLSA-N 1 0 407.518 2.314 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(N2CCOC2=O)ccc1F ZINC000768584078 1080666394 /nfs/dbraw/zinc/66/63/94/1080666394.db2.gz SOWLNQKGJSDPLJ-RBUKOAKNSA-N 1 0 405.470 2.280 20 0 HEADRO COc1ccc(CNC(=O)C[NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)cc1 ZINC000768668228 1080707512 /nfs/dbraw/zinc/70/75/12/1080707512.db2.gz HSZNSAGXHGPNDO-AEFFLSMTSA-N 1 0 421.538 2.316 20 0 HEADRO O=C(NCc1ccc(Cl)nc1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000786614566 1080710927 /nfs/dbraw/zinc/71/09/27/1080710927.db2.gz PDOBTACVRVOKMQ-UHFFFAOYSA-N 1 0 418.847 2.273 20 0 HEADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1)[NH+]1CCCCCC1 ZINC000786624435 1080718405 /nfs/dbraw/zinc/71/84/05/1080718405.db2.gz DVWYZKMZBPEWGD-OALUTQOASA-N 1 0 409.571 2.195 20 0 HEADRO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C2(C)OCCO2)C1)[NH+]1CCCCCC1 ZINC000786626249 1080718824 /nfs/dbraw/zinc/71/88/24/1080718824.db2.gz JCGMAFMNQDJTCG-MOPGFXCFSA-N 1 0 409.571 2.005 20 0 HEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000768706995 1080722238 /nfs/dbraw/zinc/72/22/38/1080722238.db2.gz OQKDBOHJMWJGNT-HQSKLWIPSA-N 1 0 407.555 2.438 20 0 HEADRO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC000786631109 1080726306 /nfs/dbraw/zinc/72/63/06/1080726306.db2.gz ZYAFECWQNBBYNF-ZWKOTPCHSA-N 1 0 424.586 2.129 20 0 HEADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000768713306 1080729119 /nfs/dbraw/zinc/72/91/19/1080729119.db2.gz JVPATSYVBFEFSI-FQEVSTJZSA-N 1 0 405.458 2.178 20 0 HEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000768719960 1080735970 /nfs/dbraw/zinc/73/59/70/1080735970.db2.gz HBOIQMJKBNJIRX-INIZCTEOSA-N 1 0 419.913 2.033 20 0 HEADRO O=C(NC[C@H](O)c1ccc2ccccc2c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000768722382 1080739124 /nfs/dbraw/zinc/73/91/24/1080739124.db2.gz RTOHSHUZQBIBMM-FQEVSTJZSA-N 1 0 401.426 2.209 20 0 HEADRO COc1ccc(CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c(OC)c1 ZINC000786664431 1080748845 /nfs/dbraw/zinc/74/88/45/1080748845.db2.gz AKUBSDMZVAMLMA-UHFFFAOYSA-N 1 0 403.523 2.233 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)CC(C)C ZINC000786647661 1080754791 /nfs/dbraw/zinc/75/47/91/1080754791.db2.gz FHCMLVYWISHWPE-QFBILLFUSA-N 1 0 416.566 2.255 20 0 HEADRO CC[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H](O)c1c(F)cccc1F ZINC000768730279 1080757550 /nfs/dbraw/zinc/75/75/50/1080757550.db2.gz ZSWKTAKAFCJMDN-FUHWJXTLSA-N 1 0 415.400 2.112 20 0 HEADRO CC[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H](O)c1c(F)cccc1F ZINC000768730276 1080757589 /nfs/dbraw/zinc/75/75/89/1080757589.db2.gz ZSWKTAKAFCJMDN-AEFFLSMTSA-N 1 0 415.400 2.112 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000768745293 1080768485 /nfs/dbraw/zinc/76/84/85/1080768485.db2.gz GIDBRTVBWYUHRK-IBGZPJMESA-N 1 0 414.550 2.375 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1 ZINC000768745782 1080769982 /nfs/dbraw/zinc/76/99/82/1080769982.db2.gz OCIHAIRGSZTYCF-UHFFFAOYSA-N 1 0 415.556 2.114 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCCN(c4ncccc4F)CC3)n2)CC1 ZINC000786677352 1080774277 /nfs/dbraw/zinc/77/42/77/1080774277.db2.gz GRROCGODNNGCHM-UHFFFAOYSA-N 1 0 401.490 2.428 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000786731513 1080780274 /nfs/dbraw/zinc/78/02/74/1080780274.db2.gz YUNHCLGBSYJVDC-OAHLLOKOSA-N 1 0 413.588 2.258 20 0 HEADRO CC(C)(C)OC(=O)NCCCNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000786736807 1080785798 /nfs/dbraw/zinc/78/57/98/1080785798.db2.gz BPQDOJYGWYIAQT-UHFFFAOYSA-N 1 0 424.586 2.132 20 0 HEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nnnn1C1CCCCC1 ZINC000786782446 1080820727 /nfs/dbraw/zinc/82/07/27/1080820727.db2.gz UFRVDMVHTRUXRX-LLVKDONJSA-N 1 0 410.466 2.143 20 0 HEADRO C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)[C@@H](C)C[N@@H+]1C ZINC000768845920 1080822534 /nfs/dbraw/zinc/82/25/34/1080822534.db2.gz JWTLPUKLFVYDBM-SYJLOODJSA-N 1 0 408.502 2.158 20 0 HEADRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786795132 1080825715 /nfs/dbraw/zinc/82/57/15/1080825715.db2.gz YTNAHLSBNSYUMN-GOSISDBHSA-N 1 0 421.545 2.455 20 0 HEADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786827197 1080827326 /nfs/dbraw/zinc/82/73/26/1080827326.db2.gz CJTYHBNJTFSBNX-OALUTQOASA-N 1 0 408.550 2.473 20 0 HEADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786800907 1080834458 /nfs/dbraw/zinc/83/44/58/1080834458.db2.gz PUBZSVLJBSSJDW-HNNXBMFYSA-N 1 0 402.520 2.317 20 0 HEADRO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000768897532 1080836798 /nfs/dbraw/zinc/83/67/98/1080836798.db2.gz OEXXMCFUSWGVFI-DHIUTWEWSA-N 1 0 423.557 2.467 20 0 HEADRO Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000786818333 1080842411 /nfs/dbraw/zinc/84/24/11/1080842411.db2.gz SKSYRLZRFYWNGX-UHFFFAOYSA-N 1 0 423.513 2.384 20 0 HEADRO C[C@@H](OC(=O)CC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1sccc1C(N)=O ZINC000786822280 1080844988 /nfs/dbraw/zinc/84/49/88/1080844988.db2.gz VPXKVFCDZRAUCW-CYBMUJFWSA-N 1 0 401.488 2.166 20 0 HEADRO O=C(Nc1cc(N2CCCC2=O)ccc1F)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000768965791 1080868442 /nfs/dbraw/zinc/86/84/42/1080868442.db2.gz DCXBWJNCRDFPDO-MOPGFXCFSA-N 1 0 404.486 2.452 20 0 HEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000786909000 1080879386 /nfs/dbraw/zinc/87/93/86/1080879386.db2.gz FXQCKHLKDGMWET-HNNXBMFYSA-N 1 0 421.007 2.264 20 0 HEADRO Cc1ccc(Br)nc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000786912052 1080881153 /nfs/dbraw/zinc/88/11/53/1080881153.db2.gz PTHBGGDWIGWPCF-UHFFFAOYSA-N 1 0 419.323 2.374 20 0 HEADRO CCCCn1c2nc(COC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)n(C)c2c(=O)[nH]c1=O ZINC000786882392 1080885233 /nfs/dbraw/zinc/88/52/33/1080885233.db2.gz VUENIIXNORPGFX-OAHLLOKOSA-N 1 0 417.510 2.086 20 0 HEADRO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769023886 1080888218 /nfs/dbraw/zinc/88/82/18/1080888218.db2.gz MENNWIXHJNNOEM-KRWDZBQOSA-N 1 0 405.543 2.318 20 0 HEADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000769029408 1080890089 /nfs/dbraw/zinc/89/00/89/1080890089.db2.gz VHUMWDKFOJCZNU-LJQANCHMSA-N 1 0 407.511 2.360 20 0 HEADRO C[N@H+](CCOC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)Cc1ccc(F)cc1 ZINC000769035335 1080891500 /nfs/dbraw/zinc/89/15/00/1080891500.db2.gz LWLDKVBWHWDNCG-LJQANCHMSA-N 1 0 416.428 2.060 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCO1 ZINC000768997553 1080894849 /nfs/dbraw/zinc/89/48/49/1080894849.db2.gz ZPIXBDCMNRHRKO-IBGZPJMESA-N 1 0 405.495 2.347 20 0 HEADRO C[C@@H](CNC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)[NH+]1CCCCC1 ZINC000769000689 1080895484 /nfs/dbraw/zinc/89/54/84/1080895484.db2.gz IGFBTQKRUJUWBH-AWEZNQCLSA-N 1 0 423.945 2.154 20 0 HEADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000769089487 1080900640 /nfs/dbraw/zinc/90/06/40/1080900640.db2.gz VYBKBKQZNJWBQO-SFHVURJKSA-N 1 0 400.516 2.395 20 0 HEADRO C[N@H+](CCOC(=O)CNS(=O)(=O)/C=C\c1ccccc1)Cc1ccc(F)cc1 ZINC000769059531 1080915909 /nfs/dbraw/zinc/91/59/09/1080915909.db2.gz AIMJDGWQCGGPIN-KAMYIIQDSA-N 1 0 406.479 2.391 20 0 HEADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC[N@H+](C)Cc1ccc(F)cc1)C2=O ZINC000769064827 1080920134 /nfs/dbraw/zinc/92/01/34/1080920134.db2.gz NAZPGCQVYLPAPH-VFNWGFHPSA-N 1 0 405.470 2.301 20 0 HEADRO CON(C)S(=O)(=O)c1ccc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000769070155 1080924583 /nfs/dbraw/zinc/92/45/83/1080924583.db2.gz RJVCYNJKMWUOBI-UHFFFAOYSA-N 1 0 410.467 2.296 20 0 HEADRO C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000787009213 1080927569 /nfs/dbraw/zinc/92/75/69/1080927569.db2.gz VQSWFFLCRILWPG-HOTGVXAUSA-N 1 0 424.567 2.014 20 0 HEADRO CN1CCC([NH+]2CCC(NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000769085495 1080933524 /nfs/dbraw/zinc/93/35/24/1080933524.db2.gz IFZGHCDLXMTYFD-UHFFFAOYSA-N 1 0 411.591 2.148 20 0 HEADRO COc1c(C)cnc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1C ZINC000769086364 1080934350 /nfs/dbraw/zinc/93/43/50/1080934350.db2.gz LPSUWTGBHPDNFQ-TZIWHRDSSA-N 1 0 412.534 2.389 20 0 HEADRO CC(C)C(=O)N1CC[N@@H+](C2CC(C)(C)N(O)C(C)(C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001170000263 1080943595 /nfs/dbraw/zinc/94/35/95/1080943595.db2.gz CDYLEORHWHEMKX-JOCHJYFZSA-N 1 0 408.587 2.236 20 0 HEADRO O=C(NCCc1ccc(Cl)nc1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769143351 1080959235 /nfs/dbraw/zinc/95/92/35/1080959235.db2.gz MAZYPPQJYWBXQL-RTBURBONSA-N 1 0 402.926 2.460 20 0 HEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000769152425 1080971707 /nfs/dbraw/zinc/97/17/07/1080971707.db2.gz FOAFRRXPKGLXST-SQNIBIBYSA-N 1 0 410.559 2.015 20 0 HEADRO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769153468 1080973015 /nfs/dbraw/zinc/97/30/15/1080973015.db2.gz IREJPLBVQIXWLL-NXWXRZEISA-N 1 0 424.586 2.309 20 0 HEADRO CC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H](O)c1c(F)cccc1F ZINC000769156741 1080974261 /nfs/dbraw/zinc/97/42/61/1080974261.db2.gz RUSRPZPCQVGIFU-JRBPQWBISA-N 1 0 411.493 2.454 20 0 HEADRO CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000769155968 1080974282 /nfs/dbraw/zinc/97/42/82/1080974282.db2.gz QQRPZAXENGAKQU-GIVPXCGWSA-N 1 0 422.614 2.482 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000769158957 1080976909 /nfs/dbraw/zinc/97/69/09/1080976909.db2.gz BZWUENYFUPSMIN-KBAYOESNSA-N 1 0 412.575 2.309 20 0 HEADRO C[C@@H](OC(=O)Cc1ccccc1CO)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000787067371 1080977404 /nfs/dbraw/zinc/97/74/04/1080977404.db2.gz ZXYNFIVSWITLFG-GOSISDBHSA-N 1 0 410.514 2.434 20 0 HEADRO CC(C)OC(=O)N1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000769164949 1080981509 /nfs/dbraw/zinc/98/15/09/1080981509.db2.gz WMTRZYCCWNDULC-RBUKOAKNSA-N 1 0 410.559 2.063 20 0 HEADRO CC(C)(C)OC(=O)N1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000769164498 1080982004 /nfs/dbraw/zinc/98/20/04/1080982004.db2.gz AXCNRRAFUBAUPT-RTBURBONSA-N 1 0 424.586 2.407 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000769165749 1080982052 /nfs/dbraw/zinc/98/20/52/1080982052.db2.gz HCDIOOQVETXGSW-CEXWTWQISA-N 1 0 424.586 2.453 20 0 HEADRO COCCN1CC2(CC[NH+](C3CC(C)(C)N(O)C(C)(C)C3)CC2)[C@@H](COC)C1=O ZINC001170000961 1080985752 /nfs/dbraw/zinc/98/57/52/1080985752.db2.gz GVPCIEDNLRVSRB-SFHVURJKSA-N 1 0 411.587 2.231 20 0 HEADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787112797 1081005170 /nfs/dbraw/zinc/00/51/70/1081005170.db2.gz DWBLWVPCXWFXPD-QLVMHMETSA-N 1 0 417.525 2.325 20 0 HEADRO CC[C@@H]1c2ccsc2CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787112284 1081005446 /nfs/dbraw/zinc/00/54/46/1081005446.db2.gz CTRBKCWXLBKJSP-FUHWJXTLSA-N 1 0 405.564 2.344 20 0 HEADRO CC(C)CN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787115046 1081006607 /nfs/dbraw/zinc/00/66/07/1081006607.db2.gz KXTHUOWZWVVZGF-NRFANRHFSA-N 1 0 401.551 2.431 20 0 HEADRO Cn1ncc2c1nc(CCC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[nH]c2=O ZINC000746635773 1081008376 /nfs/dbraw/zinc/00/83/76/1081008376.db2.gz KCMYRDVEZGGZLD-HNNXBMFYSA-N 1 0 402.886 2.074 20 0 HEADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787119517 1081008393 /nfs/dbraw/zinc/00/83/93/1081008393.db2.gz XWOIBEWTJMXWOM-MJGOQNOKSA-N 1 0 417.550 2.477 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000787120185 1081009010 /nfs/dbraw/zinc/00/90/10/1081009010.db2.gz BDTAJHNUXTXLIB-OAQYLSRUSA-N 1 0 417.525 2.291 20 0 HEADRO C[C@H]1NC(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)=NN(c2ccccc2)C1=O ZINC000746636750 1081010134 /nfs/dbraw/zinc/01/01/34/1081010134.db2.gz NPGBLXRXLCUOTJ-KDOFPFPSSA-N 1 0 413.909 2.397 20 0 HEADRO CCOC(Cn1cc(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)nn1)OCC ZINC000746636869 1081010233 /nfs/dbraw/zinc/01/02/33/1081010233.db2.gz PAABQRGUBJKJFM-SFHVURJKSA-N 1 0 415.538 2.414 20 0 HEADRO CCC[N@H+](CC)CCNC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000746638202 1081012032 /nfs/dbraw/zinc/01/20/32/1081012032.db2.gz AZQYIEWWVVNIQH-UHFFFAOYSA-N 1 0 408.547 2.312 20 0 HEADRO CC1(C)CC(n2nncc2CN2CCOC[C@@]3(CCC[NH2+]C3)C2)CC(C)(C)N1O ZINC001170002176 1081013038 /nfs/dbraw/zinc/01/30/38/1081013038.db2.gz PAGPGOGBOXLAKY-OAQYLSRUSA-N 1 0 406.575 2.063 20 0 HEADRO CC[C@@H](NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000787101798 1081013248 /nfs/dbraw/zinc/01/32/48/1081013248.db2.gz FDFDWTRTIUGXNU-QFBILLFUSA-N 1 0 409.477 2.292 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000769241469 1081013350 /nfs/dbraw/zinc/01/33/50/1081013350.db2.gz SMOHXXCEJUDANH-SFHVURJKSA-N 1 0 408.587 2.310 20 0 HEADRO O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787102990 1081014396 /nfs/dbraw/zinc/01/43/96/1081014396.db2.gz HZQNRLWMJGWATO-UIFIKXQLSA-N 1 0 417.525 2.338 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000787107127 1081018383 /nfs/dbraw/zinc/01/83/83/1081018383.db2.gz LKIJJLSYKUAUPT-RTWAWAEBSA-N 1 0 417.525 2.119 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)C1 ZINC000746647525 1081019701 /nfs/dbraw/zinc/01/97/01/1081019701.db2.gz INMRJEQGHQVQQS-JKSUJKDBSA-N 1 0 401.573 2.256 20 0 HEADRO COc1ccc([C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000787131256 1081019774 /nfs/dbraw/zinc/01/97/74/1081019774.db2.gz SUVIRHDOVSYVRH-RTWAWAEBSA-N 1 0 415.534 2.118 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)C1 ZINC000746647524 1081019784 /nfs/dbraw/zinc/01/97/84/1081019784.db2.gz INMRJEQGHQVQQS-HZPDHXFCSA-N 1 0 401.573 2.256 20 0 HEADRO O=C(NCC1(c2ccccc2Cl)CC1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787137753 1081022992 /nfs/dbraw/zinc/02/29/92/1081022992.db2.gz LDRLYEVPRAYZRB-QGZVFWFLSA-N 1 0 419.953 2.247 20 0 HEADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000769267539 1081023078 /nfs/dbraw/zinc/02/30/78/1081023078.db2.gz MEVOOXXMZAIYDL-OAQYLSRUSA-N 1 0 420.517 2.479 20 0 HEADRO CCOC(=O)c1cn(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)nc1C(F)(F)F ZINC000746644699 1081031210 /nfs/dbraw/zinc/03/12/10/1081031210.db2.gz BYFHNOYOTLJTNV-NWANDNLSSA-N 1 0 404.433 2.220 20 0 HEADRO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787123539 1081034135 /nfs/dbraw/zinc/03/41/35/1081034135.db2.gz LRENVAVSYDQKTA-HGHGUNKESA-N 1 0 417.525 2.495 20 0 HEADRO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787123542 1081034281 /nfs/dbraw/zinc/03/42/81/1081034281.db2.gz LRENVAVSYDQKTA-MMOPVJDHSA-N 1 0 417.525 2.495 20 0 HEADRO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@H](C)CC1(C)OCCO1 ZINC000787159807 1081037467 /nfs/dbraw/zinc/03/74/67/1081037467.db2.gz KIOOPVUMWCUSHN-QGZVFWFLSA-N 1 0 405.539 2.048 20 0 HEADRO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@@H](C)CC1(C)OCCO1 ZINC000787159806 1081037566 /nfs/dbraw/zinc/03/75/66/1081037566.db2.gz KIOOPVUMWCUSHN-KRWDZBQOSA-N 1 0 405.539 2.048 20 0 HEADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NCCOc3cccnc3)cc2)C1 ZINC000787160262 1081038730 /nfs/dbraw/zinc/03/87/30/1081038730.db2.gz VQLHAQINVRWEPA-GOSISDBHSA-N 1 0 410.518 2.125 20 0 HEADRO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661480 1081043563 /nfs/dbraw/zinc/04/35/63/1081043563.db2.gz KKJRUTXJRNXMIR-KRWDZBQOSA-N 1 0 411.543 2.262 20 0 HEADRO CC(=O)N[C@H](CC1CCC1)C(=O)O[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000787175477 1081044998 /nfs/dbraw/zinc/04/49/98/1081044998.db2.gz IICWIQPVXGGYLI-MAODMQOUSA-N 1 0 415.534 2.004 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)C1 ZINC000746649138 1081045543 /nfs/dbraw/zinc/04/55/43/1081045543.db2.gz UZRVUVOIGRVQJW-SFHVURJKSA-N 1 0 403.523 2.152 20 0 HEADRO C[C@@H](CNC(=O)C(=O)NCc1cccc(OCC(F)(F)F)c1)[NH+]1CCCCC1 ZINC000787178008 1081046878 /nfs/dbraw/zinc/04/68/78/1081046878.db2.gz PTOCQRGPQMXDJQ-AWEZNQCLSA-N 1 0 401.429 2.235 20 0 HEADRO COc1cc(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC(C)C ZINC000787218002 1081052299 /nfs/dbraw/zinc/05/22/99/1081052299.db2.gz QOUMIAYQTKEBOM-SFHVURJKSA-N 1 0 403.523 2.043 20 0 HEADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000787193860 1081057412 /nfs/dbraw/zinc/05/74/12/1081057412.db2.gz UFVKKYCAMUBOFA-UHFFFAOYSA-N 1 0 413.562 2.456 20 0 HEADRO O=C(NC[C@@H]1COC2(CCCCCC2)O1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000787194284 1081058204 /nfs/dbraw/zinc/05/82/04/1081058204.db2.gz YNWINGZEZUVWLX-LJQANCHMSA-N 1 0 407.555 2.092 20 0 HEADRO CNS(=O)(=O)C1CC[NH+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000769389958 1081060864 /nfs/dbraw/zinc/06/08/64/1081060864.db2.gz SFXIVHLZRVTIDS-UHFFFAOYSA-N 1 0 409.552 2.498 20 0 HEADRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000769434612 1081073199 /nfs/dbraw/zinc/07/31/99/1081073199.db2.gz NRGLKYSUYVBUIR-QFIPXVFZSA-N 1 0 412.534 2.367 20 0 HEADRO C[C@@H]1CN(CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000787227733 1081078645 /nfs/dbraw/zinc/07/86/45/1081078645.db2.gz MSXMBZTWNSPMBW-MDYRTPRTSA-N 1 0 424.511 2.335 20 0 HEADRO COC(=O)CC[N@H+](CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O)C1CCOCC1 ZINC000787230872 1081080139 /nfs/dbraw/zinc/08/01/39/1081080139.db2.gz QUMHUUQDJIWEJP-CQSZACIVSA-N 1 0 414.424 2.421 20 0 HEADRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000769489223 1081080477 /nfs/dbraw/zinc/08/04/77/1081080477.db2.gz JHEZWJVKFLNQBC-WMZOPIPTSA-N 1 0 421.538 2.316 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(OC(C)C)c(OC)c2)[C@H](C)C1 ZINC000787234551 1081082108 /nfs/dbraw/zinc/08/21/08/1081082108.db2.gz OPISPJJDDJLGLX-SJLPKXTDSA-N 1 0 405.539 2.287 20 0 HEADRO CCOc1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)nc(SC)n1 ZINC001170071203 1081083843 /nfs/dbraw/zinc/08/38/43/1081083843.db2.gz OFLSVLRRJVOZBS-UHFFFAOYSA-N 1 0 419.532 2.299 20 0 HEADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCC(C3(C)OCCO3)CC2)c1 ZINC000787288512 1081093734 /nfs/dbraw/zinc/09/37/34/1081093734.db2.gz NJSSCKXCIVCMOQ-UHFFFAOYSA-N 1 0 417.550 2.146 20 0 HEADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N(C)Cc2ncc(Cl)n2C)c1 ZINC000787290325 1081094699 /nfs/dbraw/zinc/09/46/99/1081094699.db2.gz WQYIFNKVSLRFAH-UHFFFAOYSA-N 1 0 405.930 2.190 20 0 HEADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000787293985 1081095563 /nfs/dbraw/zinc/09/55/63/1081095563.db2.gz ZWIIABTVENKHQZ-QRVBRYPASA-N 1 0 419.616 2.394 20 0 HEADRO O=C(c1cnc(Cl)cn1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000769497009 1081097480 /nfs/dbraw/zinc/09/74/80/1081097480.db2.gz OFODCSWJXHYXCT-MRXNPFEDSA-N 1 0 400.914 2.199 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000769503408 1081099631 /nfs/dbraw/zinc/09/96/31/1081099631.db2.gz KEXMHKYZCVLCQK-JKSUJKDBSA-N 1 0 402.992 2.368 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000769509452 1081102518 /nfs/dbraw/zinc/10/25/18/1081102518.db2.gz ZHXUZKSPBKMUJC-HZPDHXFCSA-N 1 0 402.992 2.368 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164433489 718967729 /nfs/dbraw/zinc/96/77/29/718967729.db2.gz LSUHLUJKUGSKKH-CHWSQXEVSA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164615234 719013414 /nfs/dbraw/zinc/01/34/14/719013414.db2.gz HQASYEVHNAXMND-BAGYTPMASA-N 1 0 406.530 2.370 20 0 HEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(-c2ccc(Cl)nc2)no1 ZINC001164614973 719018945 /nfs/dbraw/zinc/01/89/45/719018945.db2.gz GZRLBWAMXLSXGH-SRVKXCTJSA-N 1 0 413.812 2.060 20 0 HEADRO CCOC(=O)Cc1ccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1 ZINC001164616339 719027602 /nfs/dbraw/zinc/02/76/02/719027602.db2.gz BBNBAXDIFKUKRC-UHFFFAOYSA-N 1 0 403.523 2.431 20 0 HEADRO CCCNC(=O)c1ccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1 ZINC001164617083 719032089 /nfs/dbraw/zinc/03/20/89/719032089.db2.gz GEOHXLFEMOOQPX-UHFFFAOYSA-N 1 0 402.539 2.465 20 0 HEADRO CCNS(=O)(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164625093 719097800 /nfs/dbraw/zinc/09/78/00/719097800.db2.gz GKZKBLDWIJPXSB-AZUAARDMSA-N 1 0 400.548 2.481 20 0 HEADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164632977 719136214 /nfs/dbraw/zinc/13/62/14/719136214.db2.gz QSGGULKWIUZMDB-HNNXBMFYSA-N 1 0 415.563 2.117 20 0 HEADRO CC(C)N(C)Cc1nn(C(F)(F)COc2ccc(Cl)nn2)c2c1CC[NH2+]C2 ZINC001164680533 719637758 /nfs/dbraw/zinc/63/77/58/719637758.db2.gz UXOJVCPJDHOUPJ-UHFFFAOYSA-N 1 0 400.861 2.441 20 0 HEADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N)ncn3)CC2)c2ccccc21 ZINC001164683140 719676438 /nfs/dbraw/zinc/67/64/38/719676438.db2.gz RAGQOYNAOOGJRG-KRWDZBQOSA-N 1 0 408.550 2.152 20 0 HEADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164687283 719692154 /nfs/dbraw/zinc/69/21/54/719692154.db2.gz RQKDQKDLGIXJCS-SFHVURJKSA-N 1 0 424.549 2.202 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164683685 719724811 /nfs/dbraw/zinc/72/48/11/719724811.db2.gz CNRBSOQVLABSLJ-UHFFFAOYSA-N 1 0 421.973 2.444 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164689865 719741775 /nfs/dbraw/zinc/74/17/75/719741775.db2.gz MQXHULOJTSRJNQ-UHFFFAOYSA-N 1 0 423.517 2.096 20 0 HEADRO O=C(CO[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ccc(C[NH+]2CCCC2)cn1)N1CCCC1 ZINC001164711446 720085248 /nfs/dbraw/zinc/08/52/48/720085248.db2.gz MYOATRQNBCFTEI-TXTKFYIRSA-N 1 0 414.550 2.053 20 0 HEADRO C[N@H+](Cc1ccc(N2CCO[C@@H]3[C@H](OCC(=O)N4CCCC4)CC[C@H]32)nc1)C1CC1 ZINC001164709412 720086351 /nfs/dbraw/zinc/08/63/51/720086351.db2.gz DRVAYMWECLBGSK-VIZSFHNOSA-N 1 0 414.550 2.051 20 0 HEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC)nn1)CC2 ZINC001164709973 720098959 /nfs/dbraw/zinc/09/89/59/720098959.db2.gz DQKNQYYSWMZMON-GOSISDBHSA-N 1 0 411.506 2.166 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1C(=O)OC)CC2 ZINC001164712124 720100787 /nfs/dbraw/zinc/10/07/87/720100787.db2.gz VQJOCFGXWIQBLI-SFHVURJKSA-N 1 0 411.506 2.166 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3c(cn1)NC(=O)C3)CC2 ZINC001164712138 720100915 /nfs/dbraw/zinc/10/09/15/720100915.db2.gz VWZKYENIGVMVHI-IBGZPJMESA-N 1 0 407.518 2.479 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)ncn1)CC2 ZINC001164719069 720115562 /nfs/dbraw/zinc/11/55/62/720115562.db2.gz VEALPLTZTGWQRI-SFHVURJKSA-N 1 0 411.506 2.166 20 0 HEADRO CCOc1ccc(C(=O)OC)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164811863 720130031 /nfs/dbraw/zinc/13/00/31/720130031.db2.gz NTYNHQPCTLQBOW-JTSKRJEESA-N 1 0 403.523 2.452 20 0 HEADRO COc1cc(Cl)cnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164712979 720171038 /nfs/dbraw/zinc/17/10/38/720171038.db2.gz IYTZCCAXVJUSJY-MRXNPFEDSA-N 1 0 406.918 2.088 20 0 HEADRO COc1cc(Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164717729 720178682 /nfs/dbraw/zinc/17/86/82/720178682.db2.gz LWLSXPGRUZTUJY-MRXNPFEDSA-N 1 0 406.918 2.088 20 0 HEADRO CCOc1ccc(Cl)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716524 720186048 /nfs/dbraw/zinc/18/60/48/720186048.db2.gz GOKXTXKQWNAOQS-INIZCTEOSA-N 1 0 420.945 2.478 20 0 HEADRO CSCc1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164714684 720200293 /nfs/dbraw/zinc/20/02/93/720200293.db2.gz HPAKMPMHBIVFMR-SFHVURJKSA-N 1 0 402.568 2.289 20 0 HEADRO COc1ccnc(Cl)c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715754 720202054 /nfs/dbraw/zinc/20/20/54/720202054.db2.gz NCZSRWDEHWZTGU-HNNXBMFYSA-N 1 0 406.918 2.088 20 0 HEADRO COC(=O)c1cc(Cl)cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164810216 720213184 /nfs/dbraw/zinc/21/31/84/720213184.db2.gz ANLAXFYDQWDLKJ-UHFFFAOYSA-N 1 0 419.913 2.329 20 0 HEADRO COc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(SC)n1 ZINC001164814744 720224365 /nfs/dbraw/zinc/22/43/65/720224365.db2.gz XVFOIQSLDUZXGG-UHFFFAOYSA-N 1 0 404.540 2.014 20 0 HEADRO COC(=O)c1cc2c[nH]c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)cc-2n1 ZINC001164814483 720233212 /nfs/dbraw/zinc/23/32/12/720233212.db2.gz VAMGKCGOSLPOQT-UHFFFAOYSA-N 1 0 424.505 2.157 20 0 HEADRO CN(C)c1nc(Cl)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820090 720288304 /nfs/dbraw/zinc/28/83/04/720288304.db2.gz UPSGUALJABVPMJ-HZPDHXFCSA-N 1 0 406.962 2.108 20 0 HEADRO CCOC(=O)c1cccnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827949 720293221 /nfs/dbraw/zinc/29/32/21/720293221.db2.gz YPLDXTWPDDRUNJ-OALUTQOASA-N 1 0 400.523 2.170 20 0 HEADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C)c1 ZINC001164825340 720307512 /nfs/dbraw/zinc/30/75/12/720307512.db2.gz TVCMBOVHCYIYEQ-WOJBJXKFSA-N 1 0 414.550 2.478 20 0 HEADRO COC(=O)c1ccc(Cl)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164831928 720322471 /nfs/dbraw/zinc/32/24/71/720322471.db2.gz SEEVDEAWGLOQBU-QZTJIDSGSA-N 1 0 420.941 2.433 20 0 HEADRO CCOC(=O)c1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1C ZINC001164834303 720322674 /nfs/dbraw/zinc/32/26/74/720322674.db2.gz ZCGJOHGSWJBFQP-UXHICEINSA-N 1 0 414.550 2.478 20 0 HEADRO COC(=O)c1ccc2nc(Cl)c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc2c1 ZINC001164729961 720507172 /nfs/dbraw/zinc/50/71/72/720507172.db2.gz LGVWYRLKDCHOLA-ZDUSSCGKSA-N 1 0 414.897 2.464 20 0 HEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncccc2C(=O)NCc2ccccc2)C1 ZINC001164729169 720507670 /nfs/dbraw/zinc/50/76/70/720507670.db2.gz HUBJCIWAEMRAFU-LJQANCHMSA-N 1 0 404.518 2.406 20 0 HEADRO COC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834625 720510478 /nfs/dbraw/zinc/51/04/78/720510478.db2.gz GUMKPBJKDFQZJM-HLLBOEOZSA-N 1 0 418.929 2.491 20 0 HEADRO COC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836043 720510618 /nfs/dbraw/zinc/51/06/18/720510618.db2.gz LWTSCNKKLPMZNX-BFYDXBDKSA-N 1 0 418.929 2.491 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)ncc3C(N)=O)CC[C@@H]21 ZINC001164837131 720514110 /nfs/dbraw/zinc/51/41/10/720514110.db2.gz NRMZWHQYTREXSD-ZOBUZTSGSA-N 1 0 402.930 2.408 20 0 HEADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(Cl)cc3C(N)=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840642 720514821 /nfs/dbraw/zinc/51/48/21/720514821.db2.gz XBOFOMHDEJGCKR-UWWQBHOKSA-N 1 0 402.930 2.408 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3C(C)(C)C(=O)N4)CC[C@@H]21 ZINC001164837729 720591358 /nfs/dbraw/zinc/59/13/58/720591358.db2.gz ISJMRRVGZJIIBV-ULQDDVLXSA-N 1 0 409.538 2.281 20 0 HEADRO COc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164740227 720604042 /nfs/dbraw/zinc/60/40/42/720604042.db2.gz HWJCAUMPDPUSLZ-DZGCQCFKSA-N 1 0 412.881 2.424 20 0 HEADRO CCOC(=O)c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1Cl ZINC001164745006 720625000 /nfs/dbraw/zinc/62/50/00/720625000.db2.gz UAACOUBDGAIQDS-KGLIPLIRSA-N 1 0 403.870 2.044 20 0 HEADRO c1ccc(COc2cncc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164746975 720644908 /nfs/dbraw/zinc/64/49/08/720644908.db2.gz YSVMUHJVKNFIAJ-RTBURBONSA-N 1 0 404.474 2.188 20 0 HEADRO c1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C2SCCCS2)n1 ZINC001164742654 720664943 /nfs/dbraw/zinc/66/49/43/720664943.db2.gz WGMOWEZMEIYFFO-HUUCEWRRSA-N 1 0 416.576 2.477 20 0 HEADRO c1ccc(COc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cn2)cc1 ZINC001164743483 720739816 /nfs/dbraw/zinc/73/98/16/720739816.db2.gz QJPTWZILECEHDU-MOPGFXCFSA-N 1 0 404.474 2.188 20 0 HEADRO c1ccc2c(c1)CCc1cnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc1-2 ZINC001164738316 720741705 /nfs/dbraw/zinc/74/17/05/720741705.db2.gz FTYRKVMTEJUGIJ-MOPGFXCFSA-N 1 0 400.486 2.374 20 0 HEADRO CN(C)c1ccc(-c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164741822 720742111 /nfs/dbraw/zinc/74/21/11/720742111.db2.gz NCCIFJAHEIXTEY-VQTJNVASSA-N 1 0 417.517 2.342 20 0 HEADRO CC1CCN(C(=O)c2cccnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)CC1 ZINC001164744750 720761111 /nfs/dbraw/zinc/76/11/11/720761111.db2.gz SIOPTOCWQXXFSJ-RBUKOAKNSA-N 1 0 422.533 2.086 20 0 HEADRO COc1ccccc1-c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737528 720771169 /nfs/dbraw/zinc/77/11/69/720771169.db2.gz CETRANGBLPFVEX-IRXDYDNUSA-N 1 0 404.474 2.284 20 0 HEADRO COc1ccccc1-c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737526 720771220 /nfs/dbraw/zinc/77/12/20/720771220.db2.gz CETRANGBLPFVEX-DLBZAZTESA-N 1 0 404.474 2.284 20 0 HEADRO c1cncc(-c2nc3c(c(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)n2)CCC3)c1 ZINC001164752748 720788054 /nfs/dbraw/zinc/78/80/54/720788054.db2.gz ZRDGKCVWLIBXOX-MSOLQXFVSA-N 1 0 415.501 2.159 20 0 HEADRO COc1cc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc2c(OC)c1 ZINC001164742752 720801760 /nfs/dbraw/zinc/80/17/60/720801760.db2.gz DMFNJJWEUFADBL-WBVHZDCISA-N 1 0 407.474 2.384 20 0 HEADRO NC(=S)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2sccc21 ZINC001164744906 720806013 /nfs/dbraw/zinc/80/60/13/720806013.db2.gz JPOHGVROKGYPIQ-OLZOCXBDSA-N 1 0 412.544 2.062 20 0 HEADRO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)COC2 ZINC001164738074 720820938 /nfs/dbraw/zinc/82/09/38/720820938.db2.gz DPMIHKCNPJFBLF-RVKKMQEKSA-N 1 0 415.929 2.131 20 0 HEADRO COC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164746789 720824531 /nfs/dbraw/zinc/82/45/31/720824531.db2.gz ZDKFPRWMLRPHFE-CMKODMSKSA-N 1 0 410.522 2.148 20 0 HEADRO COc1nc(Cl)nc(C)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741248 720828328 /nfs/dbraw/zinc/82/83/28/720828328.db2.gz MRRWWXVRZRSIMK-BRWVUGGUSA-N 1 0 417.945 2.418 20 0 HEADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164857864 720835423 /nfs/dbraw/zinc/83/54/23/720835423.db2.gz YVEAHNJKRVBNOJ-DOTOQJQBSA-N 1 0 411.930 2.394 20 0 HEADRO COC(=O)c1cc(C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749537 720835933 /nfs/dbraw/zinc/83/59/33/720835933.db2.gz WCELUHMEKVKBOU-WSTZPKSXSA-N 1 0 410.522 2.148 20 0 HEADRO COC(=O)c1cc(C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749532 720836292 /nfs/dbraw/zinc/83/62/92/720836292.db2.gz WCELUHMEKVKBOU-QWFCFKBJSA-N 1 0 410.522 2.148 20 0 HEADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164747862 720837382 /nfs/dbraw/zinc/83/73/82/720837382.db2.gz RXGBJPFKVGVQNG-NJDAHSKKSA-N 1 0 422.581 2.438 20 0 HEADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cncc(N5CCCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750230 720839568 /nfs/dbraw/zinc/83/95/68/720839568.db2.gz WTIQUHKZDWCOSI-SLFFLAALSA-N 1 0 408.554 2.048 20 0 HEADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164739987 720839786 /nfs/dbraw/zinc/83/97/86/720839786.db2.gz BJRULCRKUNYVCC-HKBOAZHASA-N 1 0 422.581 2.438 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccc(OC)cc4nc3Cl)CC[C@@H]2C1 ZINC001164849201 720849496 /nfs/dbraw/zinc/84/94/96/720849496.db2.gz BKKCHKFZOVFYMV-RDTXWAMCSA-N 1 0 406.914 2.465 20 0 HEADRO CCOC(=O)Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747066 720859715 /nfs/dbraw/zinc/85/97/15/720859715.db2.gz HQRZSWRIPNDNPY-PWRODBHTSA-N 1 0 424.549 2.158 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(C(=O)N4CCC[C@@H](C)C4)cn3)CC[C@H]2C1 ZINC001164857524 720874703 /nfs/dbraw/zinc/87/47/03/720874703.db2.gz JVHGWKYSBMGHFO-HLAWJBBLSA-N 1 0 416.566 2.127 20 0 HEADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc4cc(OC)c(OC)cc4cn3)CC[C@H]2C1 ZINC001164860622 720879724 /nfs/dbraw/zinc/87/97/24/720879724.db2.gz OZGULFUTDNODOZ-KKSFZXQISA-N 1 0 401.507 2.426 20 0 HEADRO 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AKYMEQGOUYPSNR-JKSUJKDBSA-N 1 0 416.551 2.067 20 0 HEADRO CCOC(=O)c1nnc(Cl)cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865939 721080516 /nfs/dbraw/zinc/08/05/16/721080516.db2.gz QCLNLEXYXUVHSL-HOTGVXAUSA-N 1 0 417.897 2.181 20 0 HEADRO COC(=O)c1cc2ccncc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865514 721097016 /nfs/dbraw/zinc/09/70/16/721097016.db2.gz MEWVPKJQJMWIFM-MOPGFXCFSA-N 1 0 419.485 2.291 20 0 HEADRO CC(C)(C)OC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865529 721102848 /nfs/dbraw/zinc/10/28/48/721102848.db2.gz MLBWFKGZCYVDKI-ZWKOTPCHSA-N 1 0 411.506 2.307 20 0 HEADRO COC(=O)c1cccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)ncc21 ZINC001164770777 721103859 /nfs/dbraw/zinc/10/38/59/721103859.db2.gz RNCRJILBTCVJRS-IRXDYDNUSA-N 1 0 406.490 2.108 20 0 HEADRO COC(=O)CSc1cccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880971 721125397 /nfs/dbraw/zinc/12/53/97/721125397.db2.gz YLGBUGACVBQTEI-MSOLQXFVSA-N 1 0 414.531 2.221 20 0 HEADRO S=c1nc2[nH]cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c-2s1 ZINC001164871115 721133254 /nfs/dbraw/zinc/13/32/54/721133254.db2.gz DSXSGKXJQYERIH-UONOGXRCSA-N 1 0 400.533 2.250 20 0 HEADRO CN(C)c1nc(-c2ccccc2)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164773249 721155163 /nfs/dbraw/zinc/15/51/63/721155163.db2.gz XKBMNDRPSKATBY-WOJBJXKFSA-N 1 0 418.549 2.296 20 0 HEADRO [O-][n+]1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1Cl ZINC001164867791 721190301 /nfs/dbraw/zinc/19/03/01/721190301.db2.gz IBLMYAIMFRPNRM-DLBZAZTESA-N 1 0 410.852 2.393 20 0 HEADRO O=C(N[C@@H]1CCO[C@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1)c1cnccn1 ZINC001164870158 721215053 /nfs/dbraw/zinc/21/50/53/721215053.db2.gz FZHSGYPEMVVADQ-AUSIDOKSSA-N 1 0 422.533 2.025 20 0 HEADRO COc1cc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(Cl)n1 ZINC001164761474 721243786 /nfs/dbraw/zinc/24/37/86/721243786.db2.gz ISZAXDQXEVBUAP-KGLIPLIRSA-N 1 0 412.872 2.375 20 0 HEADRO 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COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(F)cc1C(N)=O)CC2 ZINC001164785449 721463982 /nfs/dbraw/zinc/46/39/82/721463982.db2.gz LIYMLWARMJWSFK-GOSISDBHSA-N 1 0 420.529 2.054 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4[nH]c5ccccc5c42)CC3)CC1 ZINC001164797827 721515242 /nfs/dbraw/zinc/51/52/42/721515242.db2.gz OQGFXQAKDRGFHU-UHFFFAOYSA-N 1 0 402.506 2.075 20 0 HEADRO COC(=O)c1cc(OC)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902169 721524645 /nfs/dbraw/zinc/52/46/45/721524645.db2.gz ZUCQYVXXLYDRLJ-YJBOKZPZSA-N 1 0 401.438 2.358 20 0 HEADRO COC(=O)c1cc(OC)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902167 721524723 /nfs/dbraw/zinc/52/47/23/721524723.db2.gz ZUCQYVXXLYDRLJ-MAUKXSAKSA-N 1 0 401.438 2.358 20 0 HEADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164908221 721530397 /nfs/dbraw/zinc/53/03/97/721530397.db2.gz POALPXCXFKFBDD-AEFFLSMTSA-N 1 0 400.454 2.443 20 0 HEADRO CON(C)C(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907788 721547142 /nfs/dbraw/zinc/54/71/42/721547142.db2.gz OOPCMLZOWQMPBI-AEFFLSMTSA-N 1 0 400.454 2.196 20 0 HEADRO COCCn1ccc2c1ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164801197 721559163 /nfs/dbraw/zinc/55/91/63/721559163.db2.gz GKJXECDZHFHDHK-PCCBWWKXSA-N 1 0 422.533 2.341 20 0 HEADRO Cc1nc(-n2cncn2)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026011 721828971 /nfs/dbraw/zinc/82/89/71/721828971.db2.gz OBPZSVLDRHAVFB-IHPCNDPISA-N 1 0 404.522 2.498 20 0 HEADRO COC(=O)c1cnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)cn1 ZINC001165017124 721837619 /nfs/dbraw/zinc/83/76/19/721837619.db2.gz HUASARCNARZVQW-UHFFFAOYSA-N 1 0 400.479 2.381 20 0 HEADRO COC(=O)c1cncnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021175 721841138 /nfs/dbraw/zinc/84/11/38/721841138.db2.gz FYFWHCCZOMQODJ-UHFFFAOYSA-N 1 0 400.479 2.381 20 0 HEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(-n3cncn3)nc(C)n2)CC1 ZINC001165029725 721844836 /nfs/dbraw/zinc/84/48/36/721844836.db2.gz ARFFSICBANSSNL-UHFFFAOYSA-N 1 0 423.521 2.484 20 0 HEADRO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164919700 721848149 /nfs/dbraw/zinc/84/81/49/721848149.db2.gz CMXHMGANOQDTHY-CABCVRRESA-N 1 0 403.552 2.391 20 0 HEADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001164924959 721867922 /nfs/dbraw/zinc/86/79/22/721867922.db2.gz MGCAVGCAIXJZRU-KBPBESRZSA-N 1 0 402.873 2.281 20 0 HEADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001164926350 721875603 /nfs/dbraw/zinc/87/56/03/721875603.db2.gz RQRQQOQHEBOREW-LSDHHAIUSA-N 1 0 402.873 2.281 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC001164932644 721880230 /nfs/dbraw/zinc/88/02/30/721880230.db2.gz JZNAUYHBEVRUOC-VXKWHMMOSA-N 1 0 421.593 2.018 20 0 HEADRO COc1ccc(CN(C)c2ccnc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164933016 721886657 /nfs/dbraw/zinc/88/66/57/721886657.db2.gz KUZQQMRQXZGLAA-RTWAWAEBSA-N 1 0 410.566 2.336 20 0 HEADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[NH+](C[C@H]4CCCO4)CC3)c21 ZINC001165037947 721901267 /nfs/dbraw/zinc/90/12/67/721901267.db2.gz OQODWNBWDWETNN-MRXNPFEDSA-N 1 0 409.490 2.360 20 0 HEADRO Cc1cc2nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc(N3CCOCC3)c2s1 ZINC001165038199 721913155 /nfs/dbraw/zinc/91/31/55/721913155.db2.gz LIZFCMRRARYONX-INIZCTEOSA-N 1 0 403.552 2.137 20 0 HEADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCOCC5)ncn4)CC3)C2)cc1 ZINC001164938521 721921681 /nfs/dbraw/zinc/92/16/81/721921681.db2.gz PGUAFCAHIVCGLX-UHFFFAOYSA-N 1 0 423.561 2.493 20 0 HEADRO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]21 ZINC001164949839 722003532 /nfs/dbraw/zinc/00/35/32/722003532.db2.gz AJSVVIRVQXMRRL-OALUTQOASA-N 1 0 415.545 2.405 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164955696 722021630 /nfs/dbraw/zinc/02/16/30/722021630.db2.gz NQRYSHJITZPQBG-UHFFFAOYSA-N 1 0 415.563 2.219 20 0 HEADRO CN1CCc2nc(Cl)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)c2C1 ZINC001164961177 722051422 /nfs/dbraw/zinc/05/14/22/722051422.db2.gz UHGBDTYHNHGOEI-POZUXBRTSA-N 1 0 414.941 2.418 20 0 HEADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967787 722074275 /nfs/dbraw/zinc/07/42/75/722074275.db2.gz WMBPYJOUOHVGOP-KDURUIRLSA-N 1 0 409.534 2.315 20 0 HEADRO O=C(Nc1nncs1)c1cnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(Cl)c1 ZINC001164967516 722075998 /nfs/dbraw/zinc/07/59/98/722075998.db2.gz SSSXQBSLVFNBOC-OKILXGFUSA-N 1 0 420.926 2.138 20 0 HEADRO c1cc(N2CCOCC2)ccc1-c1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nn1 ZINC001164968069 722076987 /nfs/dbraw/zinc/07/69/87/722076987.db2.gz OZNPAPKMQHTZBD-SZPZYZBQSA-N 1 0 421.545 2.280 20 0 HEADRO O=C(c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CCCC1 ZINC001164981424 722099315 /nfs/dbraw/zinc/09/93/15/722099315.db2.gz LLVVLQIKZOWVDZ-IFMALSPDSA-N 1 0 421.545 2.440 20 0 HEADRO CCOC(=O)Cc1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985287 722104807 /nfs/dbraw/zinc/10/48/07/722104807.db2.gz WEVGMSOPVAFJHE-LEWJYISDSA-N 1 0 410.518 2.310 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CCc4onc(C(=O)Nc5cccnc5)c4C3)n2)CC1 ZINC001165001195 722247785 /nfs/dbraw/zinc/24/77/85/722247785.db2.gz OBJVYYDSLIQDDI-UHFFFAOYSA-N 1 0 419.489 2.031 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)cn1)CCC2 ZINC001165000483 722250976 /nfs/dbraw/zinc/25/09/76/722250976.db2.gz QDHBWZJGXGPYGF-UHFFFAOYSA-N 1 0 400.861 2.360 20 0 HEADRO COC(=O)c1c[nH]c2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ccc12 ZINC001164999807 722252310 /nfs/dbraw/zinc/25/23/10/722252310.db2.gz GHQBYIQVHNFLGP-UHFFFAOYSA-N 1 0 412.494 2.035 20 0 HEADRO COc1nc(-c2ccccc2)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165002212 722254595 /nfs/dbraw/zinc/25/45/95/722254595.db2.gz LIXUDTDARCGTJB-UHFFFAOYSA-N 1 0 423.521 2.232 20 0 HEADRO C[NH+](C)C[C@H](O)CN[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000769686487 1078480711 /nfs/dbraw/zinc/48/07/11/1078480711.db2.gz IWUZZLQJYCFUCL-CDMIOBSGSA-N 1 0 405.539 2.402 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000769653359 1078487428 /nfs/dbraw/zinc/48/74/28/1078487428.db2.gz JAJYSBOAEHNRAA-FQEVSTJZSA-N 1 0 423.579 2.249 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)cc1 ZINC000745454236 1078489233 /nfs/dbraw/zinc/48/92/33/1078489233.db2.gz RGHWJJMCSAJQHP-UHFFFAOYSA-N 1 0 416.614 2.047 20 0 HEADRO COC(=O)/C=C1\SCC(=O)N1CCCN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000745456122 1078490811 /nfs/dbraw/zinc/49/08/11/1078490811.db2.gz RLEPGIYMQYFWPK-ZHZULCJRSA-N 1 0 403.548 2.093 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000745457669 1078491689 /nfs/dbraw/zinc/49/16/89/1078491689.db2.gz HREVWMKNTPFWKK-KRWDZBQOSA-N 1 0 409.527 2.062 20 0 HEADRO CN(C)c1ccc(NC(=O)CC[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1 ZINC000769660268 1078498055 /nfs/dbraw/zinc/49/80/55/1078498055.db2.gz MFTKCDXERCBVTO-UHFFFAOYSA-N 1 0 406.481 2.491 20 0 HEADRO O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc2ncccc21 ZINC000769674165 1078514599 /nfs/dbraw/zinc/51/45/99/1078514599.db2.gz UIPFOGHFFQYVSV-QUCCMNQESA-N 1 0 411.527 2.396 20 0 HEADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000769756283 1078541643 /nfs/dbraw/zinc/54/16/43/1078541643.db2.gz LQPFIMLNGHOJPO-HNAYVOBHSA-N 1 0 411.543 2.411 20 0 HEADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)C(=O)C1 ZINC000769787944 1078566817 /nfs/dbraw/zinc/56/68/17/1078566817.db2.gz FYQBSLBXVAOTKN-MJGOQNOKSA-N 1 0 411.543 2.073 20 0 HEADRO CCC[NH+]1CCC(NC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000745615223 1078567790 /nfs/dbraw/zinc/56/77/90/1078567790.db2.gz BIBDGNSYXFIMLG-UHFFFAOYSA-N 1 0 411.591 2.103 20 0 HEADRO Cc1cc(F)ccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001109542010 1078585899 /nfs/dbraw/zinc/58/58/99/1078585899.db2.gz ZJBFBNGTMSPJJC-SLHNCBLASA-N 1 0 403.498 2.169 20 0 HEADRO Cc1oc(-c2ccccc2F)nc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000766334590 1078625594 /nfs/dbraw/zinc/62/55/94/1078625594.db2.gz VMBVXUHJCQSQMN-QGZVFWFLSA-N 1 0 400.454 2.168 20 0 HEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000745796584 1078651038 /nfs/dbraw/zinc/65/10/38/1078651038.db2.gz CBRNVWYWQLMKBM-MSOLQXFVSA-N 1 0 412.575 2.386 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@]3(CC(=O)OC)CCCOC3)c(C)c2)CC1 ZINC000769964104 1078655896 /nfs/dbraw/zinc/65/58/96/1078655896.db2.gz VHBKKOSINBVQOF-QFIPXVFZSA-N 1 0 418.538 2.371 20 0 HEADRO C[C@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCN1C(=O)OC(C)(C)C ZINC000745825364 1078665278 /nfs/dbraw/zinc/66/52/78/1078665278.db2.gz PCCTYZJZAFAQDK-FUHWJXTLSA-N 1 0 410.559 2.281 20 0 HEADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c2)C1 ZINC000769938803 1078665287 /nfs/dbraw/zinc/66/52/87/1078665287.db2.gz KBBFAVABHQKZNE-RDJZCZTQSA-N 1 0 407.511 2.261 20 0 HEADRO O=C(NCC[S@@](=O)Cc1ccccc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745831681 1078667037 /nfs/dbraw/zinc/66/70/37/1078667037.db2.gz TZMFDTMFONAUQL-MUUNZHRXSA-N 1 0 407.580 2.222 20 0 HEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)C1 ZINC000065420936 1078669113 /nfs/dbraw/zinc/66/91/13/1078669113.db2.gz YQOVHBPIXMDBFV-MRXNPFEDSA-N 1 0 420.579 2.132 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000745870781 1078669147 /nfs/dbraw/zinc/66/91/47/1078669147.db2.gz FBNOKUXNQQTBBC-INDMIFKZSA-N 1 0 424.586 2.311 20 0 HEADRO CCOC(=O)N1CCC(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000769978815 1078672145 /nfs/dbraw/zinc/67/21/45/1078672145.db2.gz YPCMZJPTSRYTEJ-UHFFFAOYSA-N 1 0 416.522 2.001 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000745861757 1078677521 /nfs/dbraw/zinc/67/75/21/1078677521.db2.gz PDDSNMZGSMJPJQ-RHSMWYFYSA-N 1 0 400.926 2.085 20 0 HEADRO CCCn1c(=O)cc(Nc2cccc3c2NC(=O)C32CC[NH2+]CC2)n(CCC)c1=O ZINC001170012353 1078680564 /nfs/dbraw/zinc/68/05/64/1078680564.db2.gz QNSYMMSPIALPDV-UHFFFAOYSA-N 1 0 411.506 2.147 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(OCC[NH+](C)C)CC3)C2=O)cc1 ZINC000745886045 1078687448 /nfs/dbraw/zinc/68/74/48/1078687448.db2.gz ZZWBCHHEEIOECJ-HXUWFJFHSA-N 1 0 402.539 2.243 20 0 HEADRO CCN(CC1CC[NH+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1)C(=O)OC(C)(C)C ZINC000745945896 1078705209 /nfs/dbraw/zinc/70/52/09/1078705209.db2.gz KSJJCXPILFQEKA-KRWDZBQOSA-N 1 0 424.586 2.035 20 0 HEADRO C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000770053330 1078706656 /nfs/dbraw/zinc/70/66/56/1078706656.db2.gz ZHBZHZHENTYAOU-SWDVRCMSSA-N 1 0 420.513 2.188 20 0 HEADRO CCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc2S1(=O)=O ZINC000770053163 1078706722 /nfs/dbraw/zinc/70/67/22/1078706722.db2.gz YTYFLWCJXGVVPE-LIRRHRJNSA-N 1 0 415.515 2.272 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCO[C@H](C)C3)cc2Cl)CC1 ZINC000770090494 1078716600 /nfs/dbraw/zinc/71/66/00/1078716600.db2.gz XAZZUQOCMONERK-NVXWUHKLSA-N 1 0 422.957 2.494 20 0 HEADRO CC1CC[NH+](CCc2cccc(NC(=O)NCCOCCS(C)(=O)=O)c2)CC1 ZINC000770095626 1078720943 /nfs/dbraw/zinc/72/09/43/1078720943.db2.gz CWKKEBJGYNEQAU-UHFFFAOYSA-N 1 0 411.568 2.144 20 0 HEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000745996665 1078724937 /nfs/dbraw/zinc/72/49/37/1078724937.db2.gz BOASEGRPZCBBJZ-MRXNPFEDSA-N 1 0 411.543 2.460 20 0 HEADRO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C2(CCCCC2)C1 ZINC000746013603 1078733012 /nfs/dbraw/zinc/73/30/12/1078733012.db2.gz FXBPQXNYKGXIPF-OAQYLSRUSA-N 1 0 416.497 2.070 20 0 HEADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[N@@H+](C(C)(C)C)CC3)C2=O)cc1 ZINC000746018571 1078735805 /nfs/dbraw/zinc/73/58/05/1078735805.db2.gz ULFPSCZFHPDFND-QFIPXVFZSA-N 1 0 400.523 2.095 20 0 HEADRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)nc1 ZINC001170013002 1078745340 /nfs/dbraw/zinc/74/53/40/1078745340.db2.gz AJKWRIYJKMZHQE-IRXDYDNUSA-N 1 0 406.552 2.391 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000770176166 1078748754 /nfs/dbraw/zinc/74/87/54/1078748754.db2.gz ZTRMGOWGSLIRNR-AZUAARDMSA-N 1 0 418.582 2.265 20 0 HEADRO CC(C)C[C@H](CCO)CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000746042317 1078750194 /nfs/dbraw/zinc/75/01/94/1078750194.db2.gz XYFYLCAISDWZMU-SFHVURJKSA-N 1 0 418.582 2.316 20 0 HEADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746045202 1078755575 /nfs/dbraw/zinc/75/55/75/1078755575.db2.gz HUSJHIBJLODYIV-LIRRHRJNSA-N 1 0 408.520 2.338 20 0 HEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)C1 ZINC000746046950 1078757317 /nfs/dbraw/zinc/75/73/17/1078757317.db2.gz TWXULJGHQSHVFT-QGZVFWFLSA-N 1 0 414.550 2.488 20 0 HEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000746053965 1078763406 /nfs/dbraw/zinc/76/34/06/1078763406.db2.gz UOZUYMLJFPHIME-CQSZACIVSA-N 1 0 400.928 2.479 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000770174083 1078769767 /nfs/dbraw/zinc/76/97/67/1078769767.db2.gz RLRSINRPMIIFCN-HNNXBMFYSA-N 1 0 420.355 2.391 20 0 HEADRO O=C(CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000746116574 1078794841 /nfs/dbraw/zinc/79/48/41/1078794841.db2.gz YFLQWPWGOIVIOP-UHFFFAOYSA-N 1 0 402.414 2.198 20 0 HEADRO CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)Cc1ccc(C(F)(F)F)cc1 ZINC000746140844 1078804305 /nfs/dbraw/zinc/80/43/05/1078804305.db2.gz WXQVLONECHSGKF-UHFFFAOYSA-N 1 0 423.439 2.365 20 0 HEADRO CN(C(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1CCCCC1 ZINC000746145417 1078805466 /nfs/dbraw/zinc/80/54/66/1078805466.db2.gz QFDIMIRECQYGKS-KRWDZBQOSA-N 1 0 414.550 2.440 20 0 HEADRO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)CCN1c1nccn2cnnc12 ZINC000770283257 1078807413 /nfs/dbraw/zinc/80/74/13/1078807413.db2.gz WEFRWMUPEBCYAY-CVEARBPZSA-N 1 0 401.515 2.034 20 0 HEADRO CC[NH+]1CCN(CC(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000746172105 1078810082 /nfs/dbraw/zinc/81/00/82/1078810082.db2.gz GIEZMCHTRPKOII-IBGZPJMESA-N 1 0 408.587 2.262 20 0 HEADRO CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cc2s1 ZINC000746181375 1078811556 /nfs/dbraw/zinc/81/15/56/1078811556.db2.gz YLQLXVADCQGXFX-GFCCVEGCSA-N 1 0 419.507 2.213 20 0 HEADRO COc1cccc([C@H](CNC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)[NH+](C)C)c1 ZINC000770335120 1078816221 /nfs/dbraw/zinc/81/62/21/1078816221.db2.gz HCKSCJNLTSFGSM-IHPCNDPISA-N 1 0 415.538 2.187 20 0 HEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000770291162 1078817722 /nfs/dbraw/zinc/81/77/22/1078817722.db2.gz DVYCBFNNEMIENC-LBPRGKRZSA-N 1 0 402.973 2.254 20 0 HEADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@H]3CSCN3C(=O)OC(C)(C)C)nc2)C1 ZINC000746206259 1078818254 /nfs/dbraw/zinc/81/82/54/1078818254.db2.gz RXGJCJJWYIJBFM-HZPDHXFCSA-N 1 0 421.567 2.470 20 0 HEADRO C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000746224853 1078826296 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MQMCXYUKWDHVCC-KRWDZBQOSA-N 1 0 401.555 2.295 20 0 HEADRO C[C@@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000746292179 1078843874 /nfs/dbraw/zinc/84/38/74/1078843874.db2.gz CTRABUFWSHWJHR-LYHRCORUSA-N 1 0 417.550 2.385 20 0 HEADRO COc1cccc(/C=C(/C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n2nnnc2C)c1 ZINC000746296373 1078845556 /nfs/dbraw/zinc/84/55/56/1078845556.db2.gz KUXPBUKJVMIAMJ-OZWMZWNLSA-N 1 0 422.533 2.464 20 0 HEADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000746297436 1078846044 /nfs/dbraw/zinc/84/60/44/1078846044.db2.gz XNIUZSHOCXDYBJ-LIRRHRJNSA-N 1 0 409.527 2.213 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCN(C4=NC[C@@H](C)S4)CC3)cc2)CC1 ZINC000746302803 1078847764 /nfs/dbraw/zinc/84/77/64/1078847764.db2.gz FXYYLUCJNNDYTL-QGZVFWFLSA-N 1 0 401.580 2.078 20 0 HEADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000770386600 1078849326 /nfs/dbraw/zinc/84/93/26/1078849326.db2.gz NSQUPOPFGXENIU-QUCCMNQESA-N 1 0 403.527 2.273 20 0 HEADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000770386581 1078849392 /nfs/dbraw/zinc/84/93/92/1078849392.db2.gz NSQUPOPFGXENIU-AZUAARDMSA-N 1 0 403.527 2.273 20 0 HEADRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CC3)c2)CC1 ZINC000746291244 1078851751 /nfs/dbraw/zinc/85/17/51/1078851751.db2.gz PRGNWNMMHMPRNZ-HXUWFJFHSA-N 1 0 416.566 2.467 20 0 HEADRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CC3)c2)CC1 ZINC000746291243 1078851777 /nfs/dbraw/zinc/85/17/77/1078851777.db2.gz PRGNWNMMHMPRNZ-FQEVSTJZSA-N 1 0 416.566 2.467 20 0 HEADRO C[NH+](C)[C@H]1Cc2ccccc2N(Cn2nc(C3CC3)n(CCC(N)=O)c2=S)C1 ZINC000766340973 1078854222 /nfs/dbraw/zinc/85/42/22/1078854222.db2.gz UHFGCFPVBNTFSJ-INIZCTEOSA-N 1 0 400.552 2.117 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCCCCCO)C[C@H]1C(=O)N1CCSC1 ZINC001170014680 1078859634 /nfs/dbraw/zinc/85/96/34/1078859634.db2.gz PTZAXUVOIDBNHB-CVEARBPZSA-N 1 0 401.573 2.040 20 0 HEADRO CN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000746330188 1078861159 /nfs/dbraw/zinc/86/11/59/1078861159.db2.gz GQKXSKZHUBCSFN-RTWAWAEBSA-N 1 0 406.546 2.451 20 0 HEADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000766344539 1078872556 /nfs/dbraw/zinc/87/25/56/1078872556.db2.gz XRUWFAXPCDDEHP-QGZVFWFLSA-N 1 0 415.925 2.213 20 0 HEADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1Cl ZINC000746343525 1078867660 /nfs/dbraw/zinc/86/76/60/1078867660.db2.gz FSAJHXVKYNCJBM-OAHLLOKOSA-N 1 0 413.971 2.394 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000770588491 1078899224 /nfs/dbraw/zinc/89/92/24/1078899224.db2.gz APZCPVYGTINPOD-MSOLQXFVSA-N 1 0 411.591 2.053 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000770589331 1078898701 /nfs/dbraw/zinc/89/87/01/1078898701.db2.gz HZVTUGLTUKZAJZ-ZWKOTPCHSA-N 1 0 411.591 2.101 20 0 HEADRO COC(=O)C1(C)CCC([NH+]2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)CC1 ZINC001168780301 1078901160 /nfs/dbraw/zinc/90/11/60/1078901160.db2.gz PJJINHWMILLKBD-UHFFFAOYSA-N 1 0 406.502 2.409 20 0 HEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000746409674 1078905478 /nfs/dbraw/zinc/90/54/78/1078905478.db2.gz KLBBSJWIJCNGMV-IXDOJHRFSA-N 1 0 405.564 2.157 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000770603212 1078912168 /nfs/dbraw/zinc/91/21/68/1078912168.db2.gz HECZLMJTMGNMMU-GCJKJVERSA-N 1 0 423.602 2.055 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000746414737 1078913762 /nfs/dbraw/zinc/91/37/62/1078913762.db2.gz HNHZKVRZMVCJDT-LJQANCHMSA-N 1 0 423.602 2.057 20 0 HEADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000749300486 1078918366 /nfs/dbraw/zinc/91/83/66/1078918366.db2.gz KMYFZQZTENZVBE-STQMWFEESA-N 1 0 419.341 2.387 20 0 HEADRO O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)NCC1CC[NH+](C2CC2)CC1 ZINC000770622695 1078920144 /nfs/dbraw/zinc/92/01/44/1078920144.db2.gz UFAWFUKYIIQSOA-QGZVFWFLSA-N 1 0 409.914 2.318 20 0 HEADRO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766365927 1078920724 /nfs/dbraw/zinc/92/07/24/1078920724.db2.gz QYLLBBBJDXUCEI-HZPDHXFCSA-N 1 0 420.597 2.108 20 0 HEADRO COC(=O)c1cc(C(=O)OC)n(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000766378507 1078927832 /nfs/dbraw/zinc/92/78/32/1078927832.db2.gz XGCSGAYEIJIPRX-HZPDHXFCSA-N 1 0 400.479 2.009 20 0 HEADRO CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000766379198 1078929479 /nfs/dbraw/zinc/92/94/79/1078929479.db2.gz YVEXNWRDOVXAFU-IEGUWTFLSA-N 1 0 424.549 2.130 20 0 HEADRO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000770684289 1078933364 /nfs/dbraw/zinc/93/33/64/1078933364.db2.gz BKBLYRZENLXBNU-UHFFFAOYSA-N 1 0 403.548 2.028 20 0 HEADRO C[C@@H]1CN(Cn2nc(N3CCOCC3)n(C)c2=S)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000766373259 1078940951 /nfs/dbraw/zinc/94/09/51/1078940951.db2.gz FQKZJYGUUPSXKW-MSOLQXFVSA-N 1 0 416.595 2.340 20 0 HEADRO COCC[N@H+](C)CCCC1CCN(Cn2nnn(C3CCOCC3)c2=S)CC1 ZINC000766375191 1078941661 /nfs/dbraw/zinc/94/16/61/1078941661.db2.gz RXNIIDGAQOVJAT-UHFFFAOYSA-N 1 0 412.604 2.188 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000770657555 1078943494 /nfs/dbraw/zinc/94/34/94/1078943494.db2.gz NNFPGQWKUQJYCF-DNVCBOLYSA-N 1 0 404.532 2.325 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000766415730 1078960884 /nfs/dbraw/zinc/96/08/84/1078960884.db2.gz ZFXQRSLWKQAFDG-NHCUHLMSSA-N 1 0 415.534 2.216 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)COc3ccccc3)c2)CC1 ZINC000770724629 1078951709 /nfs/dbraw/zinc/95/17/09/1078951709.db2.gz ICIXJYVKRHMCGW-GOSISDBHSA-N 1 0 410.518 2.351 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](CCN2CCCS2(=O)=O)CC1 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1 0 416.703 2.020 20 0 HEADRO C[C@H](C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)c1ccncc1 ZINC000766489031 1079027237 /nfs/dbraw/zinc/02/72/37/1079027237.db2.gz QIFMUCQJVKFMLF-CABCVRRESA-N 1 0 411.549 2.262 20 0 HEADRO NC(=O)C1([NH2+]CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CCCC1 ZINC000746472795 1079027435 /nfs/dbraw/zinc/02/74/35/1079027435.db2.gz OCHUDXLEIIMIHS-UHFFFAOYSA-N 1 0 415.515 2.440 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000746476162 1079029861 /nfs/dbraw/zinc/02/98/61/1079029861.db2.gz RSKJSJYDWVYJDD-DLBZAZTESA-N 1 0 401.573 2.133 20 0 HEADRO Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170018165 1079030432 /nfs/dbraw/zinc/03/04/32/1079030432.db2.gz GAIKORYFYFVMDT-SJORKVTESA-N 1 0 406.552 2.391 20 0 HEADRO O=C(CN1CC[NH+](CCCCO)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000746484258 1079042145 /nfs/dbraw/zinc/04/21/45/1079042145.db2.gz NGLYEIVNLMVZIE-OAQYLSRUSA-N 1 0 405.539 2.483 20 0 HEADRO CC(C)S(=O)(=O)N1CCC(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168828565 1079047950 /nfs/dbraw/zinc/04/79/50/1079047950.db2.gz IJHJLHHVBMSPRF-NVXWUHKLSA-N 1 0 403.589 2.424 20 0 HEADRO C[C@@H]1C[C@@H](N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168831861 1079048384 /nfs/dbraw/zinc/04/83/84/1079048384.db2.gz CQMGOWGFWXWPPV-IEBWSBKVSA-N 1 0 416.566 2.494 20 0 HEADRO CON(C)C(=O)c1ccc(NC(=O)C(C)(C)C)c(-n2cnc3ccc(C[NH3+])cc32)n1 ZINC001168841031 1079050941 /nfs/dbraw/zinc/05/09/41/1079050941.db2.gz NPCIXZHFEDVSDT-UHFFFAOYSA-N 1 0 410.478 2.497 20 0 HEADRO C[C@H]1C[C@H]([N@H+]2CCc3ncc(Cn4cccn4)n3CC2)CN1C(=O)OC(C)(C)C ZINC001168858430 1079054738 /nfs/dbraw/zinc/05/47/38/1079054738.db2.gz QFKVSOWVKIHMKO-IRXDYDNUSA-N 1 0 400.527 2.384 20 0 HEADRO COCCO[C@H]1CC[N@H+]([C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@H]1Cc1cnn(C)c1 ZINC001168870154 1079059488 /nfs/dbraw/zinc/05/94/88/1079059488.db2.gz ZVCFTEXHHRSLCC-GTAWCEEGSA-N 1 0 422.570 2.466 20 0 HEADRO C[C@H]1C[C@@H]([N@@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168844816 1079060320 /nfs/dbraw/zinc/06/03/20/1079060320.db2.gz DSCVBWAJAZRVNK-NTZUZEMLSA-N 1 0 407.555 2.486 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+][C@]34C[C@H]3CN(C(=O)c3ccco3)C4)CC2=O)cc1 ZINC001168886073 1079068794 /nfs/dbraw/zinc/06/87/94/1079068794.db2.gz VGEZMZIMTYYFEH-IXFSTUDKSA-N 1 0 409.486 2.284 20 0 HEADRO C[C@H](CNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[N@H+](C)C1CC1 ZINC000766532740 1079069671 /nfs/dbraw/zinc/06/96/71/1079069671.db2.gz BRAPJVBVLFSFQP-GFCCVEGCSA-N 1 0 423.457 2.141 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCN(CC4CCOCC4)C3)CC2=O)cc1 ZINC001168916363 1079075098 /nfs/dbraw/zinc/07/50/98/1079075098.db2.gz RSHGEZDUORKEHR-LEWJYISDSA-N 1 0 401.551 2.277 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]C3CCN(C(=O)C(F)(F)F)CC3)CC2=O)cc1 ZINC001168920874 1079075761 /nfs/dbraw/zinc/07/57/61/1079075761.db2.gz QNWPPQZMFWSWTK-INIZCTEOSA-N 1 0 413.440 2.329 20 0 HEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(I)c(O)c3)C[C@@]2(C)C1 ZINC001168932366 1079077649 /nfs/dbraw/zinc/07/76/49/1079077649.db2.gz UAUOLOOOAHQQHD-IYBDPMFKSA-N 1 0 400.260 2.411 20 0 HEADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cccc(S(=O)(=O)NC4CCCC4)c3)C[C@@]2(C)C1 ZINC001168931936 1079077728 /nfs/dbraw/zinc/07/77/28/1079077728.db2.gz SMKYEQQQCYCXCT-NHCUHLMSSA-N 1 0 405.564 2.321 20 0 HEADRO COc1ccc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1S(=O)(=O)NC(C)(C)C ZINC001168932466 1079078127 /nfs/dbraw/zinc/07/81/27/1079078127.db2.gz UVDPDEJBQSJFNZ-NHCUHLMSSA-N 1 0 423.579 2.186 20 0 HEADRO CCOC(=O)c1cn2c(n1)CN([C@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2 ZINC001168945302 1079082805 /nfs/dbraw/zinc/08/28/05/1079082805.db2.gz XILNQOSRWVRDLJ-KRWDZBQOSA-N 1 0 412.490 2.075 20 0 HEADRO COc1ccc(CN2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)C(=O)C3)CC2=O)cc1 ZINC001168945204 1079082873 /nfs/dbraw/zinc/08/28/73/1079082873.db2.gz UTZFOEVZNDVGFF-QGZVFWFLSA-N 1 0 417.506 2.266 20 0 HEADRO CCOC(=O)c1cn2c(n1)CN([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2 ZINC001168945303 1079082891 /nfs/dbraw/zinc/08/28/91/1079082891.db2.gz XILNQOSRWVRDLJ-QGZVFWFLSA-N 1 0 412.490 2.075 20 0 HEADRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(Br)cc3-n3cncn3)C[C@@]2(C)C1 ZINC001168930578 1079088606 /nfs/dbraw/zinc/08/86/06/1079088606.db2.gz OUACIWFAXQDRQR-QZTJIDSGSA-N 1 0 404.312 2.444 20 0 HEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000766564835 1079101355 /nfs/dbraw/zinc/10/13/55/1079101355.db2.gz SUNQPFROCZIVDN-LLVKDONJSA-N 1 0 414.471 2.055 20 0 HEADRO C[NH+](C)CC1(O)CCN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CC1 ZINC001169040767 1079107893 /nfs/dbraw/zinc/10/78/93/1079107893.db2.gz JJSWQQJZADDBOB-UHFFFAOYSA-N 1 0 423.583 2.220 20 0 HEADRO Cn1cc(C(C)(C)[NH2+]CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cn1 ZINC001169045818 1079114697 /nfs/dbraw/zinc/11/46/97/1079114697.db2.gz TUYNZFMOZFEXTB-UHFFFAOYSA-N 1 0 419.551 2.058 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cccc(O)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170021193 1079122717 /nfs/dbraw/zinc/12/27/17/1079122717.db2.gz WYPFHBKEPSQCJS-RDJZCZTQSA-N 1 0 407.536 2.393 20 0 HEADRO COc1ccc(Cc2c(Cl)nc(SC)nc2-n2cncc2C[C@@H]([NH3+])CO)cc1 ZINC001169071847 1079124193 /nfs/dbraw/zinc/12/41/93/1079124193.db2.gz NHSHSGTYNHLERH-CYBMUJFWSA-N 1 0 419.938 2.499 20 0 HEADRO CC(C)[C@@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000746272067 1079124290 /nfs/dbraw/zinc/12/42/90/1079124290.db2.gz JEYIATQCOXNIHL-GCJKJVERSA-N 1 0 405.539 2.289 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(-n4cnc5ccccc54)nc3)CC[C@@H]21 ZINC000766586667 1079138748 /nfs/dbraw/zinc/13/87/48/1079138748.db2.gz UGKVOTZZHWOGJQ-APWZRJJASA-N 1 0 418.501 2.302 20 0 HEADRO CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@@H]1OC ZINC000766597610 1079144462 /nfs/dbraw/zinc/14/44/62/1079144462.db2.gz CFBUJOYBWAQSFV-MOPGFXCFSA-N 1 0 402.539 2.087 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCc3nc(C4CC4)cs3)cc2)CC1 ZINC000766599832 1079147198 /nfs/dbraw/zinc/14/71/98/1079147198.db2.gz ZSILEJCJRDQNQN-UHFFFAOYSA-N 1 0 413.547 2.417 20 0 HEADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766602128 1079149115 /nfs/dbraw/zinc/14/91/15/1079149115.db2.gz SLMAMBFYLLVJJG-LIRZEXBASA-N 1 0 416.565 2.020 20 0 HEADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000771100278 1079152023 /nfs/dbraw/zinc/15/20/23/1079152023.db2.gz VAAMGVQAXWZAHI-UHFFFAOYSA-N 1 0 421.567 2.495 20 0 HEADRO COC(=O)[C@@](C)(N)Cc1cn(-c2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)c2ccccc12 ZINC001169113225 1079160859 /nfs/dbraw/zinc/16/08/59/1079160859.db2.gz NQZRSQNPWYELHX-WNSKOXEYSA-N 1 0 418.501 2.183 20 0 HEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771153980 1079166398 /nfs/dbraw/zinc/16/63/98/1079166398.db2.gz OAEHHXSFZLITKV-BLVKFPJESA-N 1 0 412.893 2.093 20 0 HEADRO CC[C@H](C)[C@H](Nc1nc(C[N@@H+]2CC[C@@H](CO)C2)ccc1NC(=O)C(C)(C)C)C(N)=O ZINC001169150478 1079166462 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ODIMJBUHRBRYGH-OAHLLOKOSA-N 1 0 403.552 2.276 20 0 HEADRO CCc1nn(C)cc1C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000771160377 1079175366 /nfs/dbraw/zinc/17/53/66/1079175366.db2.gz MKIFGSMYGAJBMP-UHFFFAOYSA-N 1 0 402.520 2.327 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC2(CC(F)C2)CC1 ZINC001169193861 1079180952 /nfs/dbraw/zinc/18/09/52/1079180952.db2.gz WLLUMRIURSHZLW-HNNXBMFYSA-N 1 0 405.518 2.207 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1ccc(F)cc1 ZINC001169195718 1079182311 /nfs/dbraw/zinc/18/23/11/1079182311.db2.gz MLQSYBWZOIWHBN-OAHLLOKOSA-N 1 0 401.486 2.264 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001169200697 1079183003 /nfs/dbraw/zinc/18/30/03/1079183003.db2.gz BFTPKRLFWNRWFU-PKOBYXMFSA-N 1 0 424.549 2.095 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(c2ccccn2)CC1 ZINC001169201048 1079183402 /nfs/dbraw/zinc/18/34/02/1079183402.db2.gz FPPBZWYUFVGVTB-QGZVFWFLSA-N 1 0 424.549 2.267 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000771135834 1079186342 /nfs/dbraw/zinc/18/63/42/1079186342.db2.gz QRVNJKRSHXRSDD-OAHLLOKOSA-N 1 0 419.551 2.030 20 0 HEADRO Cc1ccc(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c(F)c1F ZINC001169171572 1079186598 /nfs/dbraw/zinc/18/65/98/1079186598.db2.gz GSPNPIVJKWYELX-CQSZACIVSA-N 1 0 419.476 2.369 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCc1ccc(F)cc1 ZINC001169173101 1079188203 /nfs/dbraw/zinc/18/82/03/1079188203.db2.gz ZDOLDSBLQPDASD-INIZCTEOSA-N 1 0 415.513 2.354 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000771137571 1079188486 /nfs/dbraw/zinc/18/84/86/1079188486.db2.gz VYMUXGFCYSNKGM-UHFFFAOYSA-N 1 0 408.568 2.106 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001169176647 1079190111 /nfs/dbraw/zinc/19/01/11/1079190111.db2.gz OQDOXNPZFJVBPU-KBXCAEBGSA-N 1 0 413.497 2.409 20 0 HEADRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001169177499 1079190606 /nfs/dbraw/zinc/19/06/06/1079190606.db2.gz KJQFFICRSAPTPG-CVEARBPZSA-N 1 0 407.515 2.183 20 0 HEADRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001169177502 1079191061 /nfs/dbraw/zinc/19/10/61/1079191061.db2.gz KJQFFICRSAPTPG-JKSUJKDBSA-N 1 0 407.515 2.183 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001169178130 1079192053 /nfs/dbraw/zinc/19/20/53/1079192053.db2.gz WGGCPUBGDLVNDM-CRAIPNDOSA-N 1 0 410.522 2.128 20 0 HEADRO Cc1c(F)ccc(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1F ZINC001169180314 1079193194 /nfs/dbraw/zinc/19/31/94/1079193194.db2.gz DSYNDZQYIUFQER-ZDUSSCGKSA-N 1 0 419.476 2.369 20 0 HEADRO Cc1noc2ccc(C[NH2+][C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)cc12 ZINC001169183274 1079194531 /nfs/dbraw/zinc/19/45/31/1079194531.db2.gz IMRSJFZSDLZMQF-AWEZNQCLSA-N 1 0 424.505 2.232 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000771192230 1079195179 /nfs/dbraw/zinc/19/51/79/1079195179.db2.gz WUFUCAWLPCLZFI-KRWDZBQOSA-N 1 0 414.550 2.486 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CCc1ccccc1F ZINC001169210927 1079197324 /nfs/dbraw/zinc/19/73/24/1079197324.db2.gz AYYHRUVMSFSLDW-MRXNPFEDSA-N 1 0 415.513 2.306 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C1CCC1)C1CCOCC1 ZINC001169215575 1079198851 /nfs/dbraw/zinc/19/88/51/1079198851.db2.gz AGUZKRUFYOVVOO-INIZCTEOSA-N 1 0 417.554 2.026 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@@](O)(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC001169233280 1079204970 /nfs/dbraw/zinc/20/49/70/1079204970.db2.gz MFSRYPQCCXQIIW-QZTJIDSGSA-N 1 0 402.413 2.149 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@](O)(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC001169233281 1079205053 /nfs/dbraw/zinc/20/50/53/1079205053.db2.gz MFSRYPQCCXQIIW-ROUUACIJSA-N 1 0 402.413 2.149 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000771167024 1079205724 /nfs/dbraw/zinc/20/57/24/1079205724.db2.gz ATXXORJIMPHXFV-UHFFFAOYSA-N 1 0 403.527 2.489 20 0 HEADRO Cc1sc2nnn(CN3CC[NH+](CCCOCC(F)(F)F)CC3)c(=O)c2c1C ZINC000771169919 1079206447 /nfs/dbraw/zinc/20/64/47/1079206447.db2.gz WSUVDPGFNSSKFC-UHFFFAOYSA-N 1 0 419.473 2.014 20 0 HEADRO C[NH+](C)CCOCCNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000771180116 1079211773 /nfs/dbraw/zinc/21/17/73/1079211773.db2.gz QVBXJIFXDJBJMG-UHFFFAOYSA-N 1 0 410.110 2.306 20 0 HEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000766652489 1079220874 /nfs/dbraw/zinc/22/08/74/1079220874.db2.gz QACZBTJMZKLNPR-AUUYWEPGSA-N 1 0 417.481 2.463 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)c3cn(Cc4cccc(F)c4)nn3)CC[NH2+]2)c1 ZINC001169251832 1079212339 /nfs/dbraw/zinc/21/23/39/1079212339.db2.gz PYRISIXXIIVBRN-LJQANCHMSA-N 1 0 409.465 2.131 20 0 HEADRO CCN1CCC([NH+]2CCC3(C[C@@H](COC)N(C(=O)c4cccn4C)C3)CC2)CC1 ZINC001169253286 1079212790 /nfs/dbraw/zinc/21/27/90/1079212790.db2.gz BEDJCIUSRASFHL-FQEVSTJZSA-N 1 0 402.583 2.453 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)CN3CC[C@@H](c4ccccc4)NC3=O)CC[NH2+]2)c1 ZINC001169260274 1079214447 /nfs/dbraw/zinc/21/44/47/1079214447.db2.gz HNCKXOYOZAEVKK-IRLDBZIGSA-N 1 0 422.529 2.195 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)cc1)C1CC[NH+](C)CC1 ZINC000766646195 1079215150 /nfs/dbraw/zinc/21/51/50/1079215150.db2.gz XKBSDZNRJXOEBJ-LJQANCHMSA-N 1 0 410.522 2.072 20 0 HEADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001169274624 1079215523 /nfs/dbraw/zinc/21/55/23/1079215523.db2.gz ZFAYGDPORCTFOB-XEBPYGPHSA-N 1 0 402.520 2.402 20 0 HEADRO C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000766648131 1079216575 /nfs/dbraw/zinc/21/65/75/1079216575.db2.gz HHTXVFOKRYZKBX-YWZLYKJASA-N 1 0 417.481 2.333 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCCN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC000771217147 1079232229 /nfs/dbraw/zinc/23/22/29/1079232229.db2.gz XFZQBDGNYOECRU-UHFFFAOYSA-N 1 0 411.591 2.053 20 0 HEADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)cc1S(=O)(=O)N1CCCCC1 ZINC001169270979 1079224535 /nfs/dbraw/zinc/22/45/35/1079224535.db2.gz KMFBJDBGAGKYFY-MJGOQNOKSA-N 1 0 423.579 2.249 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2I)CO1 ZINC001169320127 1079226095 /nfs/dbraw/zinc/22/60/95/1079226095.db2.gz ITUOIZDTTALUPA-GLQYFDAESA-N 1 0 419.259 2.025 20 0 HEADRO CC(=O)N1CCO[C@]2(C1)COCC[N@@H+](C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169298818 1079228485 /nfs/dbraw/zinc/22/84/85/1079228485.db2.gz CWRWMIDCDPIGSQ-BBHUYCHWSA-N 1 0 416.518 2.104 20 0 HEADRO CCO[C@H]1C[C@@](CO)([NH2+]CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1(C)C ZINC001169301076 1079230047 /nfs/dbraw/zinc/23/00/47/1079230047.db2.gz RSYSWYMGICAXHG-BTYIYWSLSA-N 1 0 423.579 2.210 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C(=O)OC)CO1 ZINC001169342173 1079239385 /nfs/dbraw/zinc/23/93/85/1079239385.db2.gz OKJVVHDONIBVHP-HIFRSBDPSA-N 1 0 400.269 2.436 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C(=O)OC)CO1 ZINC001169342177 1079240042 /nfs/dbraw/zinc/24/00/42/1079240042.db2.gz OKJVVHDONIBVHP-ZFWWWQNUSA-N 1 0 400.269 2.436 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3F)CCS(=O)(=O)CC2)CO1 ZINC001169356301 1079241012 /nfs/dbraw/zinc/24/10/12/1079241012.db2.gz IKCSGMMAXSKPDD-FUHWJXTLSA-N 1 0 413.511 2.016 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000771287414 1079241560 /nfs/dbraw/zinc/24/15/60/1079241560.db2.gz LKZNZWHCKOOVJK-WMZOPIPTSA-N 1 0 404.511 2.362 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2(Cc3cccc(F)c3)CCS(=O)(=O)CC2)CO1 ZINC001169375892 1079246009 /nfs/dbraw/zinc/24/60/09/1079246009.db2.gz QNWSECZZHMMSJM-ROUUACIJSA-N 1 0 413.511 2.016 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)CO1 ZINC001169384855 1079257019 /nfs/dbraw/zinc/25/70/19/1079257019.db2.gz HCDTVDRHMNWXBU-WOJBJXKFSA-N 1 0 415.534 2.458 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)CO1 ZINC001169384864 1079257088 /nfs/dbraw/zinc/25/70/88/1079257088.db2.gz HETPHAJLEJHXLA-MOPGFXCFSA-N 1 0 401.507 2.007 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CO1 ZINC001169386209 1079257457 /nfs/dbraw/zinc/25/74/57/1079257457.db2.gz LJRKSDDMMGIDDP-VRRQFBSDSA-N 1 0 406.523 2.302 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CO1 ZINC001169387767 1079258606 /nfs/dbraw/zinc/25/86/06/1079258606.db2.gz OXYJYNSRAVDHDQ-XQBPLPMBSA-N 1 0 401.507 2.149 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CO1 ZINC001169390508 1079260262 /nfs/dbraw/zinc/26/02/62/1079260262.db2.gz VTFXLSHJCNVGAO-JZJXAQOMSA-N 1 0 404.507 2.442 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)CO1 ZINC001169393536 1079265069 /nfs/dbraw/zinc/26/50/69/1079265069.db2.gz SSCKHFQNYZOJRF-SRHPJPHMSA-N 1 0 404.507 2.331 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)CO1 ZINC001169397975 1079270356 /nfs/dbraw/zinc/27/03/56/1079270356.db2.gz PCDMQBPVTGMPOT-NVXWUHKLSA-N 1 0 408.520 2.057 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)Cc2ccccc2CN(C)C3=O)CO1 ZINC001169399715 1079273440 /nfs/dbraw/zinc/27/34/40/1079273440.db2.gz WKQRHQCNCKRFPB-WOJBJXKFSA-N 1 0 400.519 2.394 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)CO1 ZINC001169395383 1079267555 /nfs/dbraw/zinc/26/75/55/1079267555.db2.gz IBQXURUXNPSXNP-BXWFABGCSA-N 1 0 410.465 2.125 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)CO1 ZINC001169400424 1079274827 /nfs/dbraw/zinc/27/48/27/1079274827.db2.gz YXGKFQWWMLTLFD-NNXSRULWSA-N 1 0 400.519 2.362 20 0 HEADRO C[NH+]1CCC2(CC1)CN(C(=O)N[C@@H]1C[C@H]3C[C@@H](C1)N(C(=O)OC(C)(C)C)C3)CCO2 ZINC001687511212 1079269500 /nfs/dbraw/zinc/26/95/00/1079269500.db2.gz PNIRLFIPJJQEPW-KSZLIROESA-N 1 0 422.570 2.281 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H](N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CO1 ZINC001169397951 1079269845 /nfs/dbraw/zinc/26/98/45/1079269845.db2.gz OPWFMXQCFHYPMZ-FXTUREPZSA-N 1 0 416.566 2.169 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)CO1 ZINC001169397990 1079270143 /nfs/dbraw/zinc/27/01/43/1079270143.db2.gz PERHHKPWPIDREL-CNNODRBYSA-N 1 0 401.507 2.149 20 0 HEADRO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2ccc([C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001169442562 1079292979 /nfs/dbraw/zinc/29/29/79/1079292979.db2.gz UHJWFJHNNDYERQ-UTKZUKDTSA-N 1 0 413.518 2.433 20 0 HEADRO CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CC[C@@H](CO)C2)nc1NC[C@@H](O)C(F)(F)F ZINC001169455151 1079298673 /nfs/dbraw/zinc/29/86/73/1079298673.db2.gz ZNOGIXCJVBIKDE-IUODEOHRSA-N 1 0 418.460 2.216 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)[C@@H](C)O ZINC001169458857 1079305851 /nfs/dbraw/zinc/30/58/51/1079305851.db2.gz KUSILNGGXKKPRE-PZPWOCDFSA-N 1 0 417.506 2.026 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH+]1CCN(c2ncccc2C(=O)N(CC)CC)CC1 ZINC001169485496 1079305437 /nfs/dbraw/zinc/30/54/37/1079305437.db2.gz YRUOQGPUCIJMQC-SFHVURJKSA-N 1 0 403.571 2.333 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NCc3ccccn3)[C@@H]2C1 ZINC001169467103 1079308669 /nfs/dbraw/zinc/30/86/69/1079308669.db2.gz KZAPRMAMCSVUGV-FYZZASKESA-N 1 0 416.566 2.072 20 0 HEADRO CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169507615 1079316677 /nfs/dbraw/zinc/31/66/77/1079316677.db2.gz ALQREOATPWPBGY-SXSPYAJSSA-N 1 0 417.550 2.243 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1C[C@@H](C(=O)N(C)Cc2ccccn2)C[C@H]2OCC[C@H]21 ZINC001169468245 1079309103 /nfs/dbraw/zinc/30/91/03/1079309103.db2.gz VUGUPHLQXNMSNK-KOUHRCEDSA-N 1 0 416.566 2.166 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1C[C@@H](C(=O)NCc2cccs2)C[C@H]2OCC[C@H]21 ZINC001169470130 1079309720 /nfs/dbraw/zinc/30/97/20/1079309720.db2.gz ARILPUGJLUOFSZ-UKBAYJJMSA-N 1 0 407.580 2.491 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC001169473927 1079311517 /nfs/dbraw/zinc/31/15/17/1079311517.db2.gz GVWLWEUTLYOOJY-KRWDZBQOSA-N 1 0 407.555 2.477 20 0 HEADRO CCOC(=O)C1(Nc2ccc(C3CCN(S(C)(=O)=O)CC3)cc2)CC[NH+](C)CC1 ZINC001169496495 1079314751 /nfs/dbraw/zinc/31/47/51/1079314751.db2.gz XLQXMLABSHCJKG-UHFFFAOYSA-N 1 0 423.579 2.265 20 0 HEADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC001169542258 1079327478 /nfs/dbraw/zinc/32/74/78/1079327478.db2.gz VLIXFRUSWUEIGN-YJBOKZPZSA-N 1 0 402.520 2.094 20 0 HEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001169527862 1079323636 /nfs/dbraw/zinc/32/36/36/1079323636.db2.gz QZBHETYDXIAJCT-RYRKJORJSA-N 1 0 421.588 2.442 20 0 HEADRO CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)C1 ZINC001169577164 1079335622 /nfs/dbraw/zinc/33/56/22/1079335622.db2.gz FNTBESUHMJRRHP-MOPGFXCFSA-N 1 0 415.534 2.277 20 0 HEADRO 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CC(C)N(c1nc2c(cc1C(=O)N(C)C)CC[NH2+]CC2)[C@H]1CCCC2(C1)OCCO2 ZINC001169950478 1079491677 /nfs/dbraw/zinc/49/16/77/1079491677.db2.gz TXFVKGNAHIFHGK-SFHVURJKSA-N 1 0 416.566 2.372 20 0 HEADRO O=C(C[C@@H]1OC[C@H]2C[N@@H+]([C@H]3CCCC4(C3)OCCO4)CC[C@H]21)NCc1ccco1 ZINC001169947132 1079488749 /nfs/dbraw/zinc/48/87/49/1079488749.db2.gz DXNIROROPULYPN-BWPNAZKDSA-N 1 0 404.507 2.309 20 0 HEADRO CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1 ZINC000737709805 1075918006 /nfs/dbraw/zinc/91/80/06/1075918006.db2.gz IHIULRCHZFIXFW-UHFFFAOYSA-N 1 0 421.519 2.370 20 0 HEADRO Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(OCC[NH+](C)C)c1 ZINC000737713962 1075918388 /nfs/dbraw/zinc/91/83/88/1075918388.db2.gz YQDUSEXZNHYAIA-QHCPKHFHSA-N 1 0 424.501 2.341 20 0 HEADRO Cc1oc(-c2ccccc2F)nc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000737836176 1075935864 /nfs/dbraw/zinc/93/58/64/1075935864.db2.gz BWLXIUMXYVDEAX-UHFFFAOYSA-N 1 0 400.454 2.169 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc(S(N)(=O)=O)s3)cc2)CC1 ZINC000737955396 1075947578 /nfs/dbraw/zinc/94/75/78/1075947578.db2.gz PZZCQDDPHPKGQT-UHFFFAOYSA-N 1 0 422.576 2.426 20 0 HEADRO CC(C)Cn1c(CCC(N)=O)nn(CN2CCC[C@H]2C[NH+]2CCCCC2)c1=S ZINC000738097237 1075960381 /nfs/dbraw/zinc/96/03/81/1075960381.db2.gz AWCQUUNZLBEZBK-KRWDZBQOSA-N 1 0 408.616 2.396 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cn2nc(N3CCOCC3)n(C)c2=S)C1 ZINC000738104904 1075963238 /nfs/dbraw/zinc/96/32/38/1075963238.db2.gz ARIHHVOSDWXXDN-QZTJIDSGSA-N 1 0 408.616 2.332 20 0 HEADRO C[NH+](C)[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000738144554 1075963383 /nfs/dbraw/zinc/96/33/83/1075963383.db2.gz QBOOPSPGBRYDRS-ZBEGNZNMSA-N 1 0 415.357 2.261 20 0 HEADRO COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCC[C@H]3C[NH+]3CCCC3)C2=O)cc1 ZINC000738106806 1075963878 /nfs/dbraw/zinc/96/38/78/1075963878.db2.gz ZDEXDEGLMZJRSJ-PGRDOPGGSA-N 1 0 400.523 2.066 20 0 HEADRO Cc1ccc(-n2nnn(CN3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)c2=S)cc1C ZINC000738172908 1075972823 /nfs/dbraw/zinc/97/28/23/1075972823.db2.gz XMXIWXIXGRLADU-FQEVSTJZSA-N 1 0 415.611 2.475 20 0 HEADRO Cc1cn(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(=O)n1-c1ccccc1Cl ZINC000738214580 1075974380 /nfs/dbraw/zinc/97/43/80/1075974380.db2.gz OWSYFYZCTOXQJW-SFHVURJKSA-N 1 0 403.958 2.270 20 0 HEADRO CC(C)[C@@H]1C[N@H+](C)CCN1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000738286580 1075979737 /nfs/dbraw/zinc/97/97/37/1075979737.db2.gz XLOGAXKJNIRFBY-QFBILLFUSA-N 1 0 423.355 2.446 20 0 HEADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000738299266 1075986030 /nfs/dbraw/zinc/98/60/30/1075986030.db2.gz KMIYSLUXIKBRGH-MRXNPFEDSA-N 1 0 411.506 2.341 20 0 HEADRO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000738310478 1075987242 /nfs/dbraw/zinc/98/72/42/1075987242.db2.gz ZKDPMUVNQYPLQX-HXUWFJFHSA-N 1 0 402.495 2.471 20 0 HEADRO COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC001169963402 1079497238 /nfs/dbraw/zinc/49/72/38/1079497238.db2.gz WNOLYZFINGVRMT-IXDOHACOSA-N 1 0 412.527 2.450 20 0 HEADRO CS(=O)(=O)c1cccc(OCC[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000738313125 1075987703 /nfs/dbraw/zinc/98/77/03/1075987703.db2.gz DSQFIWSNHJAGDR-JOCHJYFZSA-N 1 0 418.559 2.086 20 0 HEADRO CS(=O)(=O)c1cccc(OCC[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000738313128 1075987792 /nfs/dbraw/zinc/98/77/92/1075987792.db2.gz DSQFIWSNHJAGDR-QFIPXVFZSA-N 1 0 418.559 2.086 20 0 HEADRO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000738317116 1075988296 /nfs/dbraw/zinc/98/82/96/1075988296.db2.gz ILXKHICMMDQWDU-UGKGYDQZSA-N 1 0 416.566 2.037 20 0 HEADRO COc1cccc2sc(NC(=O)CN3CCC[N@H+](C[C@H]4CCCO4)CC3)nc21 ZINC000738316309 1075988386 /nfs/dbraw/zinc/98/83/86/1075988386.db2.gz CGESWTJSSBICAE-OAHLLOKOSA-N 1 0 404.536 2.430 20 0 HEADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000738366706 1075991038 /nfs/dbraw/zinc/99/10/38/1075991038.db2.gz JUEFYGLDDODKGU-UHFFFAOYSA-N 1 0 404.536 2.133 20 0 HEADRO CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2cccnc2Cl)CC1 ZINC000738354964 1075997792 /nfs/dbraw/zinc/99/77/92/1075997792.db2.gz LPOMNRNUYQFQMX-UHFFFAOYSA-N 1 0 408.955 2.351 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)CC1=O ZINC000738548112 1076000868 /nfs/dbraw/zinc/00/08/68/1076000868.db2.gz ISAIMZPKSGYFDB-LVCYWYKZSA-N 1 0 414.550 2.183 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC000738497029 1076005361 /nfs/dbraw/zinc/00/53/61/1076005361.db2.gz NHFCSUYEVOGHBM-UHFFFAOYSA-N 1 0 413.478 2.343 20 0 HEADRO Cc1nc(CN2CCO[C@H]3C[N@@H+]([C@@H]4CCCC5(C4)OCCO5)CC[C@H]3C2=O)cs1 ZINC001169951745 1079492238 /nfs/dbraw/zinc/49/22/38/1079492238.db2.gz YOHKHEDAJIMVCI-QRVBRYPASA-N 1 0 421.563 2.187 20 0 HEADRO C[C@@H](CNC(=O)Nc1cc2c(cc1Br)OCCO2)CN1CCOCC1 ZINC000738886104 1076021708 /nfs/dbraw/zinc/02/17/08/1076021708.db2.gz WUMHTFYRQLJIQZ-LBPRGKRZSA-N 1 0 414.300 2.310 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)CC2 ZINC000771780468 1079502539 /nfs/dbraw/zinc/50/25/39/1079502539.db2.gz NPZPAECRHIVDPO-UHFFFAOYSA-N 1 0 415.534 2.427 20 0 HEADRO Cn1ccnc1[C@](O)(CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C(F)(F)F ZINC000738967397 1076027784 /nfs/dbraw/zinc/02/77/84/1076027784.db2.gz BMDXDKGJHAIQPV-MAUKXSAKSA-N 1 0 417.476 2.220 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000739032460 1076031688 /nfs/dbraw/zinc/03/16/88/1076031688.db2.gz QDTKWYYLWLQFMF-FQEVSTJZSA-N 1 0 417.554 2.219 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCc3nccs3)cc2)CC1 ZINC000739064153 1076034184 /nfs/dbraw/zinc/03/41/84/1076034184.db2.gz AQXUHUAVUCJDBM-UHFFFAOYSA-N 1 0 401.536 2.176 20 0 HEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)C1 ZINC000739064308 1076034208 /nfs/dbraw/zinc/03/42/08/1076034208.db2.gz BTZXIMFWPBFYQH-OTWHNJEPSA-N 1 0 416.566 2.334 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000739065986 1076035389 /nfs/dbraw/zinc/03/53/89/1076035389.db2.gz GKJXEQKKWZPYFO-ZWKOTPCHSA-N 1 0 402.539 2.231 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000739067655 1076035551 /nfs/dbraw/zinc/03/55/51/1076035551.db2.gz LKCOYDVHMJHNBW-GCJKJVERSA-N 1 0 424.545 2.139 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000739077680 1076038345 /nfs/dbraw/zinc/03/83/45/1076038345.db2.gz BLINIABAOLPOOJ-KRWDZBQOSA-N 1 0 402.539 2.183 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCc3cscn3)cc2)CC1 ZINC000739078047 1076038827 /nfs/dbraw/zinc/03/88/27/1076038827.db2.gz BGPOYIDHTZLSCP-UHFFFAOYSA-N 1 0 401.536 2.176 20 0 HEADRO Cc1ncc(CNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)s1 ZINC000739086598 1076041986 /nfs/dbraw/zinc/04/19/86/1076041986.db2.gz JQEVCKGCRWIGNT-UHFFFAOYSA-N 1 0 415.563 2.484 20 0 HEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000739086292 1076042088 /nfs/dbraw/zinc/04/20/88/1076042088.db2.gz LFPSPRWFYVPLQE-HKUYNNGSSA-N 1 0 402.539 2.231 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCCc3cccc(O)c3)cc2)CC1 ZINC000739092594 1076043895 /nfs/dbraw/zinc/04/38/95/1076043895.db2.gz ZSLUOTWNOITRPB-UHFFFAOYSA-N 1 0 424.545 2.468 20 0 HEADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)[NH+](C)C ZINC000739091351 1076043941 /nfs/dbraw/zinc/04/39/41/1076043941.db2.gz WMMXCXWHRBESEM-OXQOHEQNSA-N 1 0 404.555 2.333 20 0 HEADRO COC(=O)N(C)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000739119652 1076046183 /nfs/dbraw/zinc/04/61/83/1076046183.db2.gz LBNBFTHORDGGTK-LJQANCHMSA-N 1 0 416.522 2.300 20 0 HEADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000739120775 1076046705 /nfs/dbraw/zinc/04/67/05/1076046705.db2.gz SSSJUWPSLMHHTI-UHFFFAOYSA-N 1 0 402.495 2.305 20 0 HEADRO O=C(Nc1cccc(CN2CCOC2=O)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000739121755 1076047365 /nfs/dbraw/zinc/04/73/65/1076047365.db2.gz XSINROUJGDRCFC-IBGZPJMESA-N 1 0 414.506 2.054 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)cn2)CC1 ZINC000739688352 1076072032 /nfs/dbraw/zinc/07/20/32/1076072032.db2.gz PBAASJBZGVIOGA-ROUUACIJSA-N 1 0 417.554 2.143 20 0 HEADRO CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739709567 1076074651 /nfs/dbraw/zinc/07/46/51/1076074651.db2.gz WECQUAIEHUPDDV-MOPGFXCFSA-N 1 0 408.587 2.355 20 0 HEADRO C[C@@H]1NC(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)=NN(c2ccccc2)C1=O ZINC000739799853 1076076049 /nfs/dbraw/zinc/07/60/49/1076076049.db2.gz HAMCWRIHMWONCR-SFHVURJKSA-N 1 0 405.502 2.454 20 0 HEADRO O=c1c(Br)c(Br)cnn1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739876941 1076085168 /nfs/dbraw/zinc/08/51/68/1076085168.db2.gz WQLCLIHCZSCTIM-LLVKDONJSA-N 1 0 420.149 2.144 20 0 HEADRO CCOC(=O)C1C(C[N@@H+]2CC[C@H](COC)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000739923681 1076093300 /nfs/dbraw/zinc/09/33/00/1076093300.db2.gz WAQVDMYDDDCAIQ-SCLBCKFNSA-N 1 0 407.898 2.479 20 0 HEADRO CC[N@@H+]1C[C@H](C)N(Cc2nc(=O)c3c(C)c(C(=O)OCCOC)sc3[nH]2)C[C@H]1C ZINC000766250772 1076150596 /nfs/dbraw/zinc/15/05/96/1076150596.db2.gz APTRAFDMKCMWGE-OLZOCXBDSA-N 1 0 422.551 2.011 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)Cc3ccon3)cc2Cl)CC1 ZINC000740510955 1076198302 /nfs/dbraw/zinc/19/83/02/1076198302.db2.gz VFVXQPQPCZFMFR-UHFFFAOYSA-N 1 0 419.913 2.457 20 0 HEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000740686588 1076224559 /nfs/dbraw/zinc/22/45/59/1076224559.db2.gz UEOFUFYPUDVDAO-LJQANCHMSA-N 1 0 420.513 2.327 20 0 HEADRO CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)ccc21 ZINC000740757648 1076228968 /nfs/dbraw/zinc/22/89/68/1076228968.db2.gz RAZZCBVFRJVQIC-MRXNPFEDSA-N 1 0 414.506 2.276 20 0 HEADRO COc1ccc(C2N=NC(=S)N2CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000740747738 1076233470 /nfs/dbraw/zinc/23/34/70/1076233470.db2.gz JMGNMTXWNFBRQW-OAHLLOKOSA-N 1 0 401.536 2.187 20 0 HEADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000740750155 1076233799 /nfs/dbraw/zinc/23/37/99/1076233799.db2.gz JWIAMEXWVNEMLR-LJQANCHMSA-N 1 0 408.930 2.008 20 0 HEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000740804219 1076243655 /nfs/dbraw/zinc/24/36/55/1076243655.db2.gz ZZEKDPYLQVWPBA-MRXNPFEDSA-N 1 0 408.506 2.125 20 0 HEADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000740880859 1076281450 /nfs/dbraw/zinc/28/14/50/1076281450.db2.gz DSBLIWFSVRIPOC-SUMDDJOVSA-N 1 0 422.522 2.448 20 0 HEADRO CCOC(=O)C1=C(CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)NC(=O)N[C@H]1c1ccco1 ZINC000740883098 1076283114 /nfs/dbraw/zinc/28/31/14/1076283114.db2.gz NBFKLUOGOZTSBV-KHYOSLBOSA-N 1 0 404.511 2.255 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C ZINC000740886748 1076286755 /nfs/dbraw/zinc/28/67/55/1076286755.db2.gz YXYIRSJOBOZJBM-UKRRQHHQSA-N 1 0 403.495 2.426 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@H](O)c3ccccc3Cl)ccn2)CC1 ZINC000740908667 1076287131 /nfs/dbraw/zinc/28/71/31/1076287131.db2.gz XKEWFBZGBBYLRM-SFHVURJKSA-N 1 0 403.914 2.020 20 0 HEADRO CCOC(=O)C1=C(CN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)NC(=O)N[C@H]1C ZINC000740887830 1076289413 /nfs/dbraw/zinc/28/94/13/1076289413.db2.gz DRMCYJJIAOTOPZ-SJORKVTESA-N 1 0 400.523 2.101 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)C[C@@H]1C ZINC000740893697 1076293309 /nfs/dbraw/zinc/29/33/09/1076293309.db2.gz BAONENQNNSWIRA-FUHWJXTLSA-N 1 0 409.552 2.142 20 0 HEADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)C2)CC1 ZINC000740917881 1076305114 /nfs/dbraw/zinc/30/51/14/1076305114.db2.gz SLPBNXQIPMJCEI-SUMWQHHRSA-N 1 0 415.365 2.495 20 0 HEADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740942635 1076309173 /nfs/dbraw/zinc/30/91/73/1076309173.db2.gz KCUSBAMAWVCEHI-HZPDHXFCSA-N 1 0 401.532 2.001 20 0 HEADRO CC[C@H](C(=O)OCC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)[NH+](CC)CC ZINC000741032226 1076331660 /nfs/dbraw/zinc/33/16/60/1076331660.db2.gz HWFRJEGRXFNLBU-IEBWSBKVSA-N 1 0 409.571 2.147 20 0 HEADRO CC[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000741054445 1076345836 /nfs/dbraw/zinc/34/58/36/1076345836.db2.gz OGXDQJWBBRLAKP-YPAWHYETSA-N 1 0 419.566 2.191 20 0 HEADRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)NC3CC[NH+](CCOC)CC3)ccc2NC1=O ZINC000466748649 1076349648 /nfs/dbraw/zinc/34/96/48/1076349648.db2.gz ANVPXSLBFQEACC-RDTXWAMCSA-N 1 0 404.511 2.267 20 0 HEADRO C[NH+]1CCC(O)(CNC(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)CC1 ZINC000741066401 1076351555 /nfs/dbraw/zinc/35/15/55/1076351555.db2.gz YVWNYZFOARUICG-UHFFFAOYSA-N 1 0 422.526 2.168 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000741076531 1076354797 /nfs/dbraw/zinc/35/47/97/1076354797.db2.gz SEZVZDACVAJKDS-RCCFBDPRSA-N 1 0 412.575 2.288 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)CSCC(=O)N(C)C2CCCCC2)C1 ZINC000741118681 1076378728 /nfs/dbraw/zinc/37/87/28/1076378728.db2.gz SXEIKDYBVCGXSZ-GOSISDBHSA-N 1 0 400.585 2.411 20 0 HEADRO COc1ccc([C@H]2[C@H](COC(=O)CSc3nnnn3C3CC3)CC[N@@H+]2C)cc1 ZINC000741124482 1076380340 /nfs/dbraw/zinc/38/03/40/1076380340.db2.gz NMSRDTJJTJPJFT-KSSFIOAISA-N 1 0 403.508 2.345 20 0 HEADRO CCS(=O)(=O)N1CCC(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000741124739 1076380594 /nfs/dbraw/zinc/38/05/94/1076380594.db2.gz PXBCZBXVTFRSDG-AZUAARDMSA-N 1 0 424.563 2.293 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000741157194 1076389863 /nfs/dbraw/zinc/38/98/63/1076389863.db2.gz XCYKHLAFSYIWEY-SFHVURJKSA-N 1 0 402.539 2.500 20 0 HEADRO Cc1nc(C(=O)N2CCC(CC(=O)N3CCC([NH+](C)C)CC3)CC2)c2ccccn12 ZINC000741211666 1076405611 /nfs/dbraw/zinc/40/56/11/1076405611.db2.gz JWTTVNJRNFUHMY-UHFFFAOYSA-N 1 0 411.550 2.438 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000741221682 1076410291 /nfs/dbraw/zinc/41/02/91/1076410291.db2.gz BPAOGESFKQQBOE-QFBILLFUSA-N 1 0 414.424 2.232 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000741221681 1076410339 /nfs/dbraw/zinc/41/03/39/1076410339.db2.gz BPAOGESFKQQBOE-LPHOPBHVSA-N 1 0 414.424 2.232 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CCO1 ZINC000741266184 1076436695 /nfs/dbraw/zinc/43/66/95/1076436695.db2.gz CYBAGAGCIBBWQN-FQEVSTJZSA-N 1 0 403.523 2.392 20 0 HEADRO COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000741273070 1076439237 /nfs/dbraw/zinc/43/92/37/1076439237.db2.gz BDKJTVVVRNENHG-QGZVFWFLSA-N 1 0 412.575 2.478 20 0 HEADRO COc1cc(CN(C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(SC)cc1OC ZINC000741274348 1076440787 /nfs/dbraw/zinc/44/07/87/1076440787.db2.gz DZORSHHNFFTACV-HOTGVXAUSA-N 1 0 409.552 2.430 20 0 HEADRO COc1cc(CN(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(SC)cc1OC ZINC000741274349 1076440970 /nfs/dbraw/zinc/44/09/70/1076440970.db2.gz DZORSHHNFFTACV-HZPDHXFCSA-N 1 0 409.552 2.430 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)CCO1 ZINC000741282638 1076454055 /nfs/dbraw/zinc/45/40/55/1076454055.db2.gz NHMGBSSDTSIJIH-ICSRJNTNSA-N 1 0 419.522 2.196 20 0 HEADRO C[NH+](C)Cc1cccc(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000741283710 1076454493 /nfs/dbraw/zinc/45/44/93/1076454493.db2.gz FTPHTTCKJZODPC-UHFFFAOYSA-N 1 0 407.458 2.040 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000741318934 1076466073 /nfs/dbraw/zinc/46/60/73/1076466073.db2.gz NIVQKHYSAKPOTF-KRWDZBQOSA-N 1 0 406.504 2.485 20 0 HEADRO C[C@H](OC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC(=O)NCC(F)(F)F ZINC000741321242 1076467079 /nfs/dbraw/zinc/46/70/79/1076467079.db2.gz SEKFAVZMSAJXAB-ZFWWWQNUSA-N 1 0 415.412 2.218 20 0 HEADRO CC(C)[C@H](OC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(=O)N1CCOCC1 ZINC000741326365 1076477366 /nfs/dbraw/zinc/47/73/66/1076477366.db2.gz DFOBYCXISVEFQX-ICSRJNTNSA-N 1 0 406.498 2.464 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)OCC(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000741338117 1076481996 /nfs/dbraw/zinc/48/19/96/1076481996.db2.gz MIDQCRJIIHKVJC-FQEVSTJZSA-N 1 0 403.523 2.202 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2)CC1 ZINC000741342932 1076486409 /nfs/dbraw/zinc/48/64/09/1076486409.db2.gz POIRESMEZKUAHB-UHFFFAOYSA-N 1 0 411.458 2.353 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C1 ZINC000741441329 1076530919 /nfs/dbraw/zinc/53/09/19/1076530919.db2.gz HACCRTXGVKTYEY-FPOVZHCZSA-N 1 0 418.534 2.204 20 0 HEADRO C[C@H]1C[C@@H](N(C)C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC[N@@H+]1C ZINC000741587393 1076546319 /nfs/dbraw/zinc/54/63/19/1076546319.db2.gz FPTGCLMKESDHEV-RDJZCZTQSA-N 1 0 420.558 2.405 20 0 HEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000741584374 1076553659 /nfs/dbraw/zinc/55/36/59/1076553659.db2.gz JCDNLCFPPPUKGV-YJBOKZPZSA-N 1 0 411.543 2.413 20 0 HEADRO COCCOc1ccc(-n2nc(C)c(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)n2)cc1 ZINC000741584916 1076554367 /nfs/dbraw/zinc/55/43/67/1076554367.db2.gz LPVPHJDBKOJXRJ-HNAYVOBHSA-N 1 0 401.511 2.013 20 0 HEADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000741604607 1076563390 /nfs/dbraw/zinc/56/33/90/1076563390.db2.gz SUVPYXISIMLDBZ-DDBXPCSUSA-N 1 0 401.576 2.460 20 0 HEADRO CC(C)c1ccc(N2CC[C@@H](C(=O)NCCCC[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000741670038 1076575419 /nfs/dbraw/zinc/57/54/19/1076575419.db2.gz YKMGRXWZGIQKTR-NRFANRHFSA-N 1 0 400.567 2.307 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](CC(=O)OC)c3ccccc32)CC1=O ZINC000741699319 1076595830 /nfs/dbraw/zinc/59/58/30/1076595830.db2.gz PORICGUFDULTLS-RCCFBDPRSA-N 1 0 413.518 2.013 20 0 HEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)[C@H]1c1cccs1 ZINC000741711352 1076601161 /nfs/dbraw/zinc/60/11/61/1076601161.db2.gz KQDNTAKXVFHKIS-DYVFJYSZSA-N 1 0 411.524 2.348 20 0 HEADRO Cc1ccccc1[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000741772971 1076621819 /nfs/dbraw/zinc/62/18/19/1076621819.db2.gz GTNWRRDYAIZCBJ-FQEVSTJZSA-N 1 0 417.531 2.027 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000741781973 1076625072 /nfs/dbraw/zinc/62/50/72/1076625072.db2.gz FGRKDHKTEFADED-GOSISDBHSA-N 1 0 408.587 2.310 20 0 HEADRO Cn1nc(C(C)(C)C)cc1NC(=O)C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000741786558 1076626890 /nfs/dbraw/zinc/62/68/90/1076626890.db2.gz CRNFGDMUGFSIDS-QHCPKHFHSA-N 1 0 413.566 2.273 20 0 HEADRO COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000741788673 1076627728 /nfs/dbraw/zinc/62/77/28/1076627728.db2.gz YDTZWMPAZCPLQO-YNGKYYQNSA-N 1 0 409.596 2.410 20 0 HEADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000741788855 1076628326 /nfs/dbraw/zinc/62/83/26/1076628326.db2.gz IHWLBPADCGSOBP-MRXNPFEDSA-N 1 0 413.522 2.432 20 0 HEADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000741875997 1076663013 /nfs/dbraw/zinc/66/30/13/1076663013.db2.gz QAVKQQTZOXRSGO-LSDHHAIUSA-N 1 0 408.534 2.468 20 0 HEADRO COc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1N1CCNC1=O ZINC000742040382 1076728414 /nfs/dbraw/zinc/72/84/14/1076728414.db2.gz JHSPKFIKDYJUGF-UHFFFAOYSA-N 1 0 409.490 2.229 20 0 HEADRO Cc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000742103977 1076743054 /nfs/dbraw/zinc/74/30/54/1076743054.db2.gz FCMVJIJEQMIZFX-KRWDZBQOSA-N 1 0 415.563 2.113 20 0 HEADRO O=C(N/C(=C/c1ccco1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000742105407 1076743831 /nfs/dbraw/zinc/74/38/31/1076743831.db2.gz WWAYHXLBIPVIHI-CQHJRZBDSA-N 1 0 409.486 2.231 20 0 HEADRO O=C(OCc1ccccc1)N1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742107478 1076744123 /nfs/dbraw/zinc/74/41/23/1076744123.db2.gz LCKMUCWIGFGUAT-LEWJYISDSA-N 1 0 415.534 2.358 20 0 HEADRO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000742119630 1076748600 /nfs/dbraw/zinc/74/86/00/1076748600.db2.gz ZWQIYVBUPCMLHE-INIZCTEOSA-N 1 0 411.543 2.460 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C2=O)cc1 ZINC000742135245 1076751082 /nfs/dbraw/zinc/75/10/82/1076751082.db2.gz JOENPIVCFRCJGF-FQEVSTJZSA-N 1 0 407.518 2.067 20 0 HEADRO C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000742135983 1076751426 /nfs/dbraw/zinc/75/14/26/1076751426.db2.gz SIFVXTCMNRMTST-IBGZPJMESA-N 1 0 416.566 2.368 20 0 HEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000742136819 1076751584 /nfs/dbraw/zinc/75/15/84/1076751584.db2.gz HLUQXXDQAHXLKW-QGZVFWFLSA-N 1 0 420.579 2.180 20 0 HEADRO CC(C)(O)C[NH+]1CCN(Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)CC1 ZINC000742150547 1076766496 /nfs/dbraw/zinc/76/64/96/1076766496.db2.gz GZUCPANFDMBRAM-UHFFFAOYSA-N 1 0 410.440 2.275 20 0 HEADRO COc1ccc(C[C@@]2(C)NC(=O)N(C[N@@H+]3CCCC4(CCOCC4)C3)C2=O)cc1 ZINC000742159173 1076771726 /nfs/dbraw/zinc/77/17/26/1076771726.db2.gz NOKGUNMEMFLMAL-OAQYLSRUSA-N 1 0 401.507 2.398 20 0 HEADRO S=c1n(CN2CC[C@H](C[NH+]3CCOCC3)C2)nc(-c2cccnc2)n1C1CC1 ZINC000742161750 1076772298 /nfs/dbraw/zinc/77/22/98/1076772298.db2.gz NRAROJVMWIBPNH-MRXNPFEDSA-N 1 0 400.552 2.423 20 0 HEADRO S=c1n(CN2CC[C@H](C[NH+]3CCOCC3)C2)nc(-c2ccncc2)n1C1CC1 ZINC000742161122 1076772725 /nfs/dbraw/zinc/77/27/25/1076772725.db2.gz GKMQWKXADYVXEW-MRXNPFEDSA-N 1 0 400.552 2.423 20 0 HEADRO C[C@]1(c2ccc(Br)cc2)NC(=O)N(CN2CC[C@@H]([NH+]3CC=CC3)C2)C1=O ZINC000742162837 1076772877 /nfs/dbraw/zinc/77/28/77/1076772877.db2.gz KESMOMUHCSCTGR-VQIMIIECSA-N 1 0 419.323 2.120 20 0 HEADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC34CC[NH+](C)CC4)CC2)cc1C ZINC000742188253 1076777624 /nfs/dbraw/zinc/77/76/24/1076777624.db2.gz ZGRNSBICHJNIFY-UHFFFAOYSA-N 1 0 419.591 2.401 20 0 HEADRO CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC34CC[NH+](C)CC4)cc(C(C)C)nc21 ZINC000742188278 1076777654 /nfs/dbraw/zinc/77/76/54/1076777654.db2.gz ZLQUEOJSMPPEOB-UHFFFAOYSA-N 1 0 413.522 2.341 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](C4N=NC(=S)N4C)C3)cc2)CC1 ZINC000742251187 1076799542 /nfs/dbraw/zinc/79/95/42/1076799542.db2.gz PCDRSAJVQDGKJG-QGZVFWFLSA-N 1 0 414.579 2.266 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](C4N=NC(=S)N4C)C3)cc2)CC1 ZINC000742251185 1076799690 /nfs/dbraw/zinc/79/96/90/1076799690.db2.gz PCDRSAJVQDGKJG-KRWDZBQOSA-N 1 0 414.579 2.266 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](C)N2CCc3sccc3C2)CC1 ZINC000742274653 1076807862 /nfs/dbraw/zinc/80/78/62/1076807862.db2.gz RKQRDCBHIWLYBH-AWEZNQCLSA-N 1 0 415.581 2.035 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000742275274 1076808304 /nfs/dbraw/zinc/80/83/04/1076808304.db2.gz MRKJYVSLLBWLRS-AZUAARDMSA-N 1 0 421.563 2.191 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC1 ZINC000742278366 1076809202 /nfs/dbraw/zinc/80/92/02/1076809202.db2.gz NIYHCRVGXYCHNA-UHFFFAOYSA-N 1 0 415.531 2.140 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)cc1F ZINC000742309700 1076814778 /nfs/dbraw/zinc/81/47/78/1076814778.db2.gz UEVBSAHWUHQGNP-ZJUUUORDSA-N 1 0 423.304 2.136 20 0 HEADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742286263 1076816775 /nfs/dbraw/zinc/81/67/75/1076816775.db2.gz HZFVGXGGGUTOSW-WOJBJXKFSA-N 1 0 423.579 2.439 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000742290830 1076818398 /nfs/dbraw/zinc/81/83/98/1076818398.db2.gz QAAWYEPCOVVNNV-LJQANCHMSA-N 1 0 423.579 2.091 20 0 HEADRO CC[NH+](CC)CCNC(=O)c1ccc(OS(=O)(=O)c2cnn(C(C)C)c2)cc1 ZINC000742299545 1076822507 /nfs/dbraw/zinc/82/25/07/1076822507.db2.gz XWVQXLDUSFNGBT-UHFFFAOYSA-N 1 0 408.524 2.303 20 0 HEADRO 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O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000743916726 1077194947 /nfs/dbraw/zinc/19/49/47/1077194947.db2.gz DOKHPSRMANQKQH-CQSZACIVSA-N 1 0 408.955 2.185 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)C[NH+]1CCCCC1 ZINC000743894691 1077204071 /nfs/dbraw/zinc/20/40/71/1077204071.db2.gz WAZIXJVJHGXOMK-KRWDZBQOSA-N 1 0 404.580 2.417 20 0 HEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743896180 1077207699 /nfs/dbraw/zinc/20/76/99/1077207699.db2.gz BDTIBMUYVKJLAD-IAGOWNOFSA-N 1 0 404.580 2.415 20 0 HEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743896182 1077207854 /nfs/dbraw/zinc/20/78/54/1077207854.db2.gz BDTIBMUYVKJLAD-SJORKVTESA-N 1 0 404.580 2.415 20 0 HEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(N2CCOC2=O)ccc1C ZINC000743910737 1077223789 /nfs/dbraw/zinc/22/37/89/1077223789.db2.gz IAURSMBDPNMFTO-INIZCTEOSA-N 1 0 402.495 2.271 20 0 HEADRO CN(C)c1c(Cl)cccc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743945687 1077239072 /nfs/dbraw/zinc/23/90/72/1077239072.db2.gz DZAWTQTVGAQYHE-OAHLLOKOSA-N 1 0 408.930 2.104 20 0 HEADRO O=C(Nc1ccccc1CC(F)(F)F)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743945374 1077239626 /nfs/dbraw/zinc/23/96/26/1077239626.db2.gz UUFILGSZXCHNNS-MRXNPFEDSA-N 1 0 413.440 2.490 20 0 HEADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)C1 ZINC000743919311 1077241470 /nfs/dbraw/zinc/24/14/70/1077241470.db2.gz FNPRSTUBSZMKGS-HXUWFJFHSA-N 1 0 410.518 2.098 20 0 HEADRO COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1NC(=O)OC(C)(C)C ZINC000743920296 1077242927 /nfs/dbraw/zinc/24/29/27/1077242927.db2.gz VKHBCZICTQWATQ-AWEZNQCLSA-N 1 0 418.494 2.334 20 0 HEADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[C@H](SC)C2)c1 ZINC000743966834 1077272807 /nfs/dbraw/zinc/27/28/07/1077272807.db2.gz KYWGGJVIHVWXLP-ROUUACIJSA-N 1 0 420.579 2.097 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H]1CC[C@H](SC)C1 ZINC000743970267 1077274502 /nfs/dbraw/zinc/27/45/02/1077274502.db2.gz POLREDFWFLQMRB-RDJZCZTQSA-N 1 0 420.579 2.176 20 0 HEADRO O=C(Nc1cccc(Br)c1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743946791 1077276665 /nfs/dbraw/zinc/27/66/65/1077276665.db2.gz KHZDPZWXPRUWGP-INIZCTEOSA-N 1 0 410.312 2.147 20 0 HEADRO O=C(Nc1ccc(OC(F)F)c(F)c1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743947709 1077276848 /nfs/dbraw/zinc/27/68/48/1077276848.db2.gz TUHZKHGGABXUNL-AWEZNQCLSA-N 1 0 415.412 2.125 20 0 HEADRO CC(C)n1ncc2cc(NC(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)ccc21 ZINC000743950441 1077279164 /nfs/dbraw/zinc/27/91/64/1077279164.db2.gz VVBCSRYWBPSRRJ-LJQANCHMSA-N 1 0 413.522 2.315 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCS[C@@H](C(C)C)C3)cc2)CC1 ZINC000743991817 1077282801 /nfs/dbraw/zinc/28/28/01/1077282801.db2.gz AMWCOGMRSDUTBF-LJQANCHMSA-N 1 0 404.580 2.367 20 0 HEADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000743996000 1077285782 /nfs/dbraw/zinc/28/57/82/1077285782.db2.gz LIDRHEXMTXCYRA-LJQANCHMSA-N 1 0 418.501 2.186 20 0 HEADRO CN(C)C(=O)c1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743998380 1077286637 /nfs/dbraw/zinc/28/66/37/1077286637.db2.gz ZXRXGXFEWZKXFE-IBGZPJMESA-N 1 0 422.529 2.307 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 ZINC000743978601 1077291430 /nfs/dbraw/zinc/29/14/30/1077291430.db2.gz LIBXISUUZZDPKV-AWEZNQCLSA-N 1 0 406.914 2.115 20 0 HEADRO COc1ccccc1NC(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000743978002 1077292181 /nfs/dbraw/zinc/29/21/81/1077292181.db2.gz CLXJAYXFLGFTBV-INIZCTEOSA-N 1 0 424.501 2.487 20 0 HEADRO Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000743980722 1077293283 /nfs/dbraw/zinc/29/32/83/1077293283.db2.gz HIVHTGCTGFCMGB-SFHVURJKSA-N 1 0 414.550 2.406 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000743980154 1077293626 /nfs/dbraw/zinc/29/36/26/1077293626.db2.gz WIRIIRDCWAIHRI-OAHLLOKOSA-N 1 0 413.547 2.245 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000743981867 1077294898 /nfs/dbraw/zinc/29/48/98/1077294898.db2.gz UGCQUKNZNUXLCV-CYBMUJFWSA-N 1 0 420.311 2.174 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000743983185 1077295703 /nfs/dbraw/zinc/29/57/03/1077295703.db2.gz UFYYNNUPAREWGS-MRXNPFEDSA-N 1 0 400.523 2.288 20 0 HEADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1 ZINC000744261698 1077353394 /nfs/dbraw/zinc/35/33/94/1077353394.db2.gz CMCNZJYHIONJEY-UHFFFAOYSA-N 1 0 423.579 2.087 20 0 HEADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1Cl ZINC000744399462 1077380329 /nfs/dbraw/zinc/38/03/29/1077380329.db2.gz NNYAQYPZMMFYER-OAHLLOKOSA-N 1 0 406.914 2.244 20 0 HEADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C1CCC1 ZINC000744410258 1077383558 /nfs/dbraw/zinc/38/35/58/1077383558.db2.gz XWWGTJRCNOEWIK-UHFFFAOYSA-N 1 0 419.469 2.023 20 0 HEADRO Cc1cc(Cl)ncc1NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000766315442 1077385296 /nfs/dbraw/zinc/38/52/96/1077385296.db2.gz MNTZQAJLMNUVBX-UHFFFAOYSA-N 1 0 415.925 2.310 20 0 HEADRO COC(=O)CC[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)C1CCOCC1 ZINC000744427676 1077390421 /nfs/dbraw/zinc/39/04/21/1077390421.db2.gz XTHPHEMQSCLLRB-HXUWFJFHSA-N 1 0 417.531 2.393 20 0 HEADRO COC(=O)CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)C1CCOCC1 ZINC000744429124 1077390913 /nfs/dbraw/zinc/39/09/13/1077390913.db2.gz QUPNTURZCOJRJR-UHFFFAOYSA-N 1 0 414.886 2.340 20 0 HEADRO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 ZINC000744435095 1077393003 /nfs/dbraw/zinc/39/30/03/1077393003.db2.gz XLABKQAVTLZYAL-MSOLQXFVSA-N 1 0 424.586 2.191 20 0 HEADRO Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCC(=O)NC3CC[NH+](C(C)C)CC3)c12 ZINC000744544869 1077458033 /nfs/dbraw/zinc/45/80/33/1077458033.db2.gz XHAYACPGJNGOJQ-UHFFFAOYSA-N 1 0 413.522 2.300 20 0 HEADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)cc21 ZINC000744589889 1077479811 /nfs/dbraw/zinc/47/98/11/1077479811.db2.gz NDCXZJIZKSZMEU-UHFFFAOYSA-N 1 0 404.467 2.242 20 0 HEADRO C[C@H](OC(=O)c1cccnc1-n1cccn1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744655137 1077539991 /nfs/dbraw/zinc/53/99/91/1077539991.db2.gz MSGOSCZYPZXWGN-PKOBYXMFSA-N 1 0 419.485 2.203 20 0 HEADRO CCOc1cccc2c1OCC(C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1)=C2 ZINC000744760949 1077571851 /nfs/dbraw/zinc/57/18/51/1077571851.db2.gz XQIXBCCLAQUKFV-UHFFFAOYSA-N 1 0 402.491 2.393 20 0 HEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000744798930 1077597612 /nfs/dbraw/zinc/59/76/12/1077597612.db2.gz RUBQATVEYMQUHJ-AWEZNQCLSA-N 1 0 401.960 2.442 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000744822451 1077607504 /nfs/dbraw/zinc/60/75/04/1077607504.db2.gz UQWITNDCOFTZIQ-OAHLLOKOSA-N 1 0 421.925 2.225 20 0 HEADRO CC(C)NC(=O)Nc1ccc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000744828001 1077611339 /nfs/dbraw/zinc/61/13/39/1077611339.db2.gz ILOXTCQHVUVYLN-UHFFFAOYSA-N 1 0 404.511 2.362 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)C2(c3cccc(F)c3)CCOCC2)CC1 ZINC000744858817 1077625648 /nfs/dbraw/zinc/62/56/48/1077625648.db2.gz OXICMSYLUICKEB-UHFFFAOYSA-N 1 0 406.498 2.406 20 0 HEADRO C[C@@H](CNC(=O)NCc1ccccc1OCCN1CCOCC1)[NH+]1CCCCC1 ZINC000744868673 1077629275 /nfs/dbraw/zinc/62/92/75/1077629275.db2.gz GSDRBJHZZZTDDW-IBGZPJMESA-N 1 0 404.555 2.071 20 0 HEADRO CCCC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744897023 1077640660 /nfs/dbraw/zinc/64/06/60/1077640660.db2.gz IRGBVZISSZVHBR-YSIASYRMSA-N 1 0 415.534 2.100 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000744994295 1077699182 /nfs/dbraw/zinc/69/91/82/1077699182.db2.gz IKKFQHQWXMGUIY-IBGZPJMESA-N 1 0 415.534 2.071 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000744994296 1077699226 /nfs/dbraw/zinc/69/92/26/1077699226.db2.gz IKKFQHQWXMGUIY-LJQANCHMSA-N 1 0 415.534 2.071 20 0 HEADRO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001006303216 1077716037 /nfs/dbraw/zinc/71/60/37/1077716037.db2.gz FJATVYGQTCTITR-MPPALOIVSA-N 1 0 423.557 2.076 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CCSc2ccc3c(c2)OCCO3)CC1 ZINC000745068739 1077718411 /nfs/dbraw/zinc/71/84/11/1077718411.db2.gz MPDWHBZNSZCASX-UHFFFAOYSA-N 1 0 422.547 2.472 20 0 HEADRO CC[C@@H](C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[NH+](CC)CC ZINC000745095987 1077729406 /nfs/dbraw/zinc/72/94/06/1077729406.db2.gz SNFAWFBCWNISQG-AEFFLSMTSA-N 1 0 416.522 2.475 20 0 HEADRO COc1ccccc1-c1nn(C)cc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000745077656 1077733959 /nfs/dbraw/zinc/73/39/59/1077733959.db2.gz ZNAOLGKPEVRHIB-UHFFFAOYSA-N 1 0 414.506 2.242 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000745104558 1077739618 /nfs/dbraw/zinc/73/96/18/1077739618.db2.gz MXNNFTRKFJWNMY-LJQANCHMSA-N 1 0 416.440 2.445 20 0 HEADRO COc1ccc(C[NH+]2CCC(CNC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1 ZINC000745125183 1077754136 /nfs/dbraw/zinc/75/41/36/1077754136.db2.gz ZAMVQAGBVRLWHP-UHFFFAOYSA-N 1 0 414.506 2.166 20 0 HEADRO C[C@H](OC(=O)[C@](C)(O)Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000745150430 1077759177 /nfs/dbraw/zinc/75/91/77/1077759177.db2.gz SXXPSZGEKQWKTL-NSXLHWASSA-N 1 0 410.514 2.303 20 0 HEADRO CC(C)C(=O)N(C)Cc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000745171681 1077766472 /nfs/dbraw/zinc/76/64/72/1077766472.db2.gz MLKCJGVHTDZQFZ-UHFFFAOYSA-N 1 0 415.534 2.201 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(OC3CCOCC3)cc2)CC1 ZINC000745255328 1077782903 /nfs/dbraw/zinc/78/29/03/1077782903.db2.gz HLECVOZATSPXFA-UHFFFAOYSA-N 1 0 404.507 2.390 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000745239648 1077785438 /nfs/dbraw/zinc/78/54/38/1077785438.db2.gz FTURYJHXQXIURE-DJIMGWMZSA-N 1 0 410.461 2.085 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000745239654 1077785659 /nfs/dbraw/zinc/78/56/59/1077785659.db2.gz FTURYJHXQXIURE-PVAVHDDUSA-N 1 0 410.461 2.085 20 0 HEADRO COc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000745302279 1077802468 /nfs/dbraw/zinc/80/24/68/1077802468.db2.gz HAQNFGAUDUZARV-UHFFFAOYSA-N 1 0 424.545 2.480 20 0 HEADRO CNC(=O)c1cccc(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1 ZINC000745369669 1077812941 /nfs/dbraw/zinc/81/29/41/1077812941.db2.gz NIBHKZYMHHAFJW-UHFFFAOYSA-N 1 0 423.513 2.246 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000745432809 1077824670 /nfs/dbraw/zinc/82/46/70/1077824670.db2.gz LJZFOHDYLNDNEI-SFTDATJTSA-N 1 0 415.582 2.062 20 0 HEADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H]3CCCC[C@@H]3C(C)C)C2=O)c1 ZINC000771793073 1079510175 /nfs/dbraw/zinc/51/01/75/1079510175.db2.gz ZQRWIUWTIGMZTQ-FGSXEWAUSA-N 1 0 416.522 2.298 20 0 HEADRO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[NH2+][C@@H](CCO)C1CC1 ZINC000771798394 1079512893 /nfs/dbraw/zinc/51/28/93/1079512893.db2.gz HOJVXYKBNIXSFU-SFHVURJKSA-N 1 0 420.579 2.481 20 0 HEADRO COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C[C@@H](O)c3cnn(C)c3)C2=O)c1 ZINC000766961542 1079525579 /nfs/dbraw/zinc/52/55/79/1079525579.db2.gz QTOUKJBFBHQPLV-TYCQWZJGSA-N 1 0 414.506 2.131 20 0 HEADRO CN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771773125 1079526382 /nfs/dbraw/zinc/52/63/82/1079526382.db2.gz XAHSXPPMKABXNF-RBUKOAKNSA-N 1 0 423.602 2.100 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CC1 ZINC000766937980 1079528424 /nfs/dbraw/zinc/52/84/24/1079528424.db2.gz FFOYOJXPNPKNAL-HTAPYJJXSA-N 1 0 403.523 2.389 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)C1CC1 ZINC000766942789 1079531414 /nfs/dbraw/zinc/53/14/14/1079531414.db2.gz SJZDTHNDYHXMHC-KSFYIVLOSA-N 1 0 419.522 2.226 20 0 HEADRO 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CCCCn1c2nc(COC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)n(C)c2c(=O)[nH]c1=O ZINC000786882386 1080885263 /nfs/dbraw/zinc/88/52/63/1080885263.db2.gz VUENIIXNORPGFX-HNNXBMFYSA-N 1 0 417.510 2.086 20 0 HEADRO Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000786882264 1080885328 /nfs/dbraw/zinc/88/53/28/1080885328.db2.gz GTZMUEGNBHAUGO-IBGZPJMESA-N 1 0 401.507 2.342 20 0 HEADRO COc1cc(OC)c(CNC(=O)COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c(OC)c1 ZINC000786883181 1080885598 /nfs/dbraw/zinc/88/55/98/1080885598.db2.gz YNUNLLWFELWJKV-GOSISDBHSA-N 1 0 420.506 2.279 20 0 HEADRO COC(=O)N(C)Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000768996503 1080894769 /nfs/dbraw/zinc/89/47/69/1080894769.db2.gz RKOXIJNYJRYDJJ-RBUKOAKNSA-N 1 0 404.511 2.384 20 0 HEADRO CCOC(CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC ZINC000786971369 1080895952 /nfs/dbraw/zinc/89/59/52/1080895952.db2.gz VEKLTLDRPZVROC-MRXNPFEDSA-N 1 0 400.541 2.147 20 0 HEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786928296 1080897301 /nfs/dbraw/zinc/89/73/01/1080897301.db2.gz PGPISFHZJUJNPT-OAHLLOKOSA-N 1 0 408.568 2.460 20 0 HEADRO CC(C)COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)C2 ZINC001109415297 1080897767 /nfs/dbraw/zinc/89/77/67/1080897767.db2.gz NHHQCUCGFPZZGE-SWBPCFCJSA-N 1 0 404.555 2.282 20 0 HEADRO C[N@H+](CCOC(=O)c1c(F)ccc(S(N)(=O)=O)c1F)Cc1ccc(F)cc1 ZINC000769092294 1080903190 /nfs/dbraw/zinc/90/31/90/1080903190.db2.gz LXWFHZUIAJKWQD-UHFFFAOYSA-N 1 0 402.394 2.040 20 0 HEADRO C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000787009214 1080927467 /nfs/dbraw/zinc/92/74/67/1080927467.db2.gz VQSWFFLCRILWPG-HZPDHXFCSA-N 1 0 424.567 2.014 20 0 HEADRO CCCN(C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000769106046 1080935945 /nfs/dbraw/zinc/93/59/45/1080935945.db2.gz BIEYMHKKOCAXOM-GOSISDBHSA-N 1 0 411.591 2.053 20 0 HEADRO Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000769110549 1080938264 /nfs/dbraw/zinc/93/82/64/1080938264.db2.gz WAVMPEOKBNGFKD-GOTSBHOMSA-N 1 0 410.562 2.486 20 0 HEADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000786983454 1080938886 /nfs/dbraw/zinc/93/88/86/1080938886.db2.gz ZZYUUAMIWLHKHO-INIZCTEOSA-N 1 0 418.604 2.027 20 0 HEADRO CC(C)C(=O)N1CC[N@@H+](C2CC(C)(C)N(O)C(C)(C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001170000264 1080944362 /nfs/dbraw/zinc/94/43/62/1080944362.db2.gz CDYLEORHWHEMKX-QFIPXVFZSA-N 1 0 408.587 2.236 20 0 HEADRO CS(=O)(=O)c1nc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)c2ccccn21 ZINC000772693083 1080957458 /nfs/dbraw/zinc/95/74/58/1080957458.db2.gz ZWUDZIKUMOOQAT-UHFFFAOYSA-N 1 0 417.487 2.400 20 0 HEADRO CN(C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1)C(=O)OC(C)(C)C ZINC000769149681 1080969674 /nfs/dbraw/zinc/96/96/74/1080969674.db2.gz GFTPATYQVICLGQ-WDSOQIARSA-N 1 0 424.586 2.263 20 0 HEADRO CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)NC(=O)OC(C)(C)C ZINC000769153584 1080972354 /nfs/dbraw/zinc/97/23/54/1080972354.db2.gz ISTAFPQVXMZQOE-KSZLIROESA-N 1 0 412.575 2.213 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000769156867 1080974727 /nfs/dbraw/zinc/97/47/27/1080974727.db2.gz UMFGSQNCHYYWBF-RBUKOAKNSA-N 1 0 424.586 2.311 20 0 HEADRO CC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H](O)c1c(F)cccc1F ZINC000769156132 1080975350 /nfs/dbraw/zinc/97/53/50/1080975350.db2.gz RUSRPZPCQVGIFU-DMUMMCEESA-N 1 0 411.493 2.454 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)Cc3ccccc3CO)cc2)CC1 ZINC000787067702 1080976793 /nfs/dbraw/zinc/97/67/93/1080976793.db2.gz ZSMUDHUDLAPSPE-UHFFFAOYSA-N 1 0 411.502 2.045 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000769158117 1080977033 /nfs/dbraw/zinc/97/70/33/1080977033.db2.gz YIJQZAYUJYJYFF-WDSOQIARSA-N 1 0 424.586 2.311 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000769159871 1080977588 /nfs/dbraw/zinc/97/75/88/1080977588.db2.gz FNCSFYWSXDOCDE-ROUUACIJSA-N 1 0 410.559 2.017 20 0 HEADRO CC(C)OC(=O)N1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000769164950 1080981538 /nfs/dbraw/zinc/98/15/38/1080981538.db2.gz WMTRZYCCWNDULC-RTBURBONSA-N 1 0 410.559 2.063 20 0 HEADRO O=C(NCc1nc(Cc2ccccc2)no1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000769165613 1080982608 /nfs/dbraw/zinc/98/26/08/1080982608.db2.gz ZTOZIXIJGGSYEW-RBUKOAKNSA-N 1 0 413.522 2.228 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)CN(CCc2ccccc2)C(C)=O)CC1 ZINC001170000944 1080985780 /nfs/dbraw/zinc/98/57/80/1080985780.db2.gz ZKWVDSLXCRTBKV-UHFFFAOYSA-N 1 0 401.551 2.181 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000769206544 1081002130 /nfs/dbraw/zinc/00/21/30/1081002130.db2.gz NIFAJVZESJDXTE-UHFFFAOYSA-N 1 0 408.587 2.310 20 0 HEADRO CC(C)(C)OC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 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QHWSGEMHPWOSGK-SFHVURJKSA-N 1 0 410.518 2.054 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CC1 ZINC000787145639 1081028305 /nfs/dbraw/zinc/02/83/05/1081028305.db2.gz XGCKHVYBPTWHNE-HXUWFJFHSA-N 1 0 406.530 2.487 20 0 HEADRO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787123544 1081034148 /nfs/dbraw/zinc/03/41/48/1081034148.db2.gz LRENVAVSYDQKTA-PLMTUMEDSA-N 1 0 417.525 2.495 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1c2cnccc2n(Cc2ccccc2)c1=O ZINC000746646524 1081035245 /nfs/dbraw/zinc/03/52/45/1081035245.db2.gz GXGXUHYXSXZMAF-NWSQWKLXSA-N 1 0 421.545 2.387 20 0 HEADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000769313396 1081039636 /nfs/dbraw/zinc/03/96/36/1081039636.db2.gz NJXRBHVBTTVMMX-QGZVFWFLSA-N 1 0 418.586 2.354 20 0 HEADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)CCC2 ZINC000787174479 1081044676 /nfs/dbraw/zinc/04/46/76/1081044676.db2.gz HNALFCUEOAGWJX-SFHVURJKSA-N 1 0 416.547 2.202 20 0 HEADRO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1-n1cncn1 ZINC000769334030 1081045421 /nfs/dbraw/zinc/04/54/21/1081045421.db2.gz MMTJZMBCRGARCZ-UHFFFAOYSA-N 1 0 400.527 2.252 20 0 HEADRO CCN1CCN(C(=O)CC2CC[NH+](Cc3cc(OC)ccc3OCOC)CC2)CC1 ZINC000769337947 1081047597 /nfs/dbraw/zinc/04/75/97/1081047597.db2.gz MWVJPCINCBHOES-UHFFFAOYSA-N 1 0 419.566 2.444 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](C[C@@H](O)CC(F)(F)F)C2)CC1 ZINC000787185617 1081054277 /nfs/dbraw/zinc/05/42/77/1081054277.db2.gz GTEIFGKFIRRTPR-GJZGRUSLSA-N 1 0 423.476 2.091 20 0 HEADRO C[C@H](CNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000769367122 1081054704 /nfs/dbraw/zinc/05/47/04/1081054704.db2.gz BBOXIKYHGKZVRD-MRXNPFEDSA-N 1 0 411.493 2.482 20 0 HEADRO C[N@H+](C[C@H](O)COc1ccc2c(c1)OCO2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661905 1081055074 /nfs/dbraw/zinc/05/50/74/1081055074.db2.gz MUIDPERMCCSEQX-INIZCTEOSA-N 1 0 408.495 2.486 20 0 HEADRO C[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661856 1081055318 /nfs/dbraw/zinc/05/53/18/1081055318.db2.gz QTCPCZORQAPVMN-SFHVURJKSA-N 1 0 403.523 2.438 20 0 HEADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000787191307 1081056774 /nfs/dbraw/zinc/05/67/74/1081056774.db2.gz DMUVHDGIVKSCEQ-NRFANRHFSA-N 1 0 417.525 2.373 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)C1 ZINC000769381549 1081058502 /nfs/dbraw/zinc/05/85/02/1081058502.db2.gz JUZUOIAEVBDCRX-INIZCTEOSA-N 1 0 411.493 2.436 20 0 HEADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCCCC2)nc1)[NH+]1CCCCC1 ZINC000787201035 1081060050 /nfs/dbraw/zinc/06/00/50/1081060050.db2.gz WXIBVLHLYKCXFT-SFHVURJKSA-N 1 0 401.555 2.069 20 0 HEADRO C[C@@H](NS(=O)(=O)c1cnc(Cl)n1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000769406594 1081064911 /nfs/dbraw/zinc/06/49/11/1081064911.db2.gz AWMJIZHXJLCUPN-GFCCVEGCSA-N 1 0 415.922 2.004 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cnn(-c3ccncc3)c2C(F)F)CC1 ZINC000787226311 1081078756 /nfs/dbraw/zinc/07/87/56/1081078756.db2.gz KVIMICZSBZYPEZ-UHFFFAOYSA-N 1 0 421.448 2.351 20 0 HEADRO COc1cc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1OC(C)C ZINC000787231435 1081080106 /nfs/dbraw/zinc/08/01/06/1081080106.db2.gz HMTDFZPCIJOPRB-GOSISDBHSA-N 1 0 403.523 2.185 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1OC(C)C ZINC000787233221 1081081992 /nfs/dbraw/zinc/08/19/92/1081081992.db2.gz VIDAULLOVMGRRL-SJORKVTESA-N 1 0 405.539 2.335 20 0 HEADRO C[NH+](C)CCn1cc(NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)cn1 ZINC000787283852 1081090968 /nfs/dbraw/zinc/09/09/68/1081090968.db2.gz QBIFSZTUYPNTAB-CQSZACIVSA-N 1 0 417.514 2.145 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)[C@H](C)C1 ZINC000769475251 1081091759 /nfs/dbraw/zinc/09/17/59/1081091759.db2.gz JKXHXBLKLRBWNG-QAPCUYQASA-N 1 0 411.493 2.434 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000787265367 1081099583 /nfs/dbraw/zinc/09/95/83/1081099583.db2.gz ZLDNVTWCISCOPL-YJBOKZPZSA-N 1 0 410.559 2.184 20 0 HEADRO [NH3+]CCN(c1ncnc2c(Cl)nccc21)S(=O)(=O)c1cccc2cnccc21 ZINC001170071407 1081105379 /nfs/dbraw/zinc/10/53/79/1081105379.db2.gz UBAOEGBXNVWOOH-UHFFFAOYSA-N 1 0 414.878 2.380 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000769536214 1081113675 /nfs/dbraw/zinc/11/36/75/1081113675.db2.gz AZXCDLMLIWRNMZ-AFYVEPGGSA-N 1 0 408.539 2.475 20 0 HEADRO C[NH+](C)CCN1CCN(C(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000769539025 1081115317 /nfs/dbraw/zinc/11/53/17/1081115317.db2.gz HLSNAWNCJGVYNM-UHFFFAOYSA-N 1 0 402.539 2.257 20 0 HEADRO CCCn1c(=O)cc(Nc2cc(N(C)C)c(C(=O)OCC)c[nH+]2)n(CCC)c1=O ZINC001170007250 1081120491 /nfs/dbraw/zinc/12/04/91/1081120491.db2.gz JRBDKZZPXPKZMD-UHFFFAOYSA-N 1 0 403.483 2.211 20 0 HEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000769599809 1081137638 /nfs/dbraw/zinc/13/76/38/1081137638.db2.gz OHAZSRBIZAOTNL-RDJZCZTQSA-N 1 0 411.543 2.459 20 0 HEADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1Cl ZINC000769597815 1081143478 /nfs/dbraw/zinc/14/34/78/1081143478.db2.gz RSCNSXRSXAAECD-UHFFFAOYSA-N 1 0 421.929 2.348 20 0 HEADRO C[NH+](C)[C@@H](CNC(=O)c1nccn2c(Br)cnc12)Cc1ccccc1 ZINC000769627328 1081144545 /nfs/dbraw/zinc/14/45/45/1081144545.db2.gz JAWIJDGUAXOHPY-CQSZACIVSA-N 1 0 402.296 2.395 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)c(=O)[nH]c1=O ZINC000769634351 1081150962 /nfs/dbraw/zinc/15/09/62/1081150962.db2.gz WWYRDTAWZMITJV-UHFFFAOYSA-N 1 0 422.551 2.069 20 0 HEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)C1 ZINC000769614341 1081171895 /nfs/dbraw/zinc/17/18/95/1081171895.db2.gz LLQLRNSMPMQDSQ-KDOFPFPSSA-N 1 0 411.955 2.291 20 0 HEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000769615080 1081172632 /nfs/dbraw/zinc/17/26/32/1081172632.db2.gz OGDCESCFNSYVHS-AEFFLSMTSA-N 1 0 409.527 2.167 20 0 HEADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164403394 718862608 /nfs/dbraw/zinc/86/26/08/718862608.db2.gz NIHKNLGKRYHNRO-JSGCOSHPSA-N 1 0 416.856 2.056 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164434725 718967757 /nfs/dbraw/zinc/96/77/57/718967757.db2.gz VFSVEDFXSGNJFJ-CHWSQXEVSA-N 1 0 414.762 2.196 20 0 HEADRO Clc1nc(N2CCOCC2)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164622776 719065753 /nfs/dbraw/zinc/06/57/53/719065753.db2.gz ISJAQZBWRQSNRM-MSOLQXFVSA-N 1 0 414.941 2.462 20 0 HEADRO NC(=O)[C@@H]1CCCN1c1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC001164624311 719106560 /nfs/dbraw/zinc/10/65/60/719106560.db2.gz FJHRDPAFEFZYEE-SLFFLAALSA-N 1 0 406.534 2.032 20 0 HEADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C[C@H]2CF)CC1 ZINC001164626912 719117058 /nfs/dbraw/zinc/11/70/58/719117058.db2.gz JSHXLBIBDHAUJO-VXGBXAGGSA-N 1 0 405.852 2.025 20 0 HEADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@H]43)nn2)CC1 ZINC001164662233 719342218 /nfs/dbraw/zinc/34/22/18/719342218.db2.gz ORBJIIRLYTUQEN-KNKQGSTJSA-N 1 0 401.555 2.171 20 0 HEADRO C[N@@H+]1CCO[C@H]2CN(c3nc(Cl)c(F)cc3C(=O)NCc3cccs3)C[C@H]21 ZINC001164671670 719408800 /nfs/dbraw/zinc/40/88/00/719408800.db2.gz QOYLRSMMQIXUFS-CABCVRRESA-N 1 0 410.902 2.385 20 0 HEADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)cc2C(N)=O)c2c1CC[NH2+]C2 ZINC001164679506 719635772 /nfs/dbraw/zinc/63/57/72/719635772.db2.gz DGTNFIPLIFZHSB-UHFFFAOYSA-N 1 0 412.872 2.114 20 0 HEADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c(Cl)ncnc32)c2c1CC[NH2+]C2 ZINC001164679628 719647245 /nfs/dbraw/zinc/64/72/45/719647245.db2.gz JCGQCVVBFLDQME-UHFFFAOYSA-N 1 0 407.309 2.398 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3cccc(OC)c31)CC2 ZINC001164684686 719722764 /nfs/dbraw/zinc/72/27/64/719722764.db2.gz JNERWXYBYDBWKX-UHFFFAOYSA-N 1 0 403.914 2.473 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1ncn3C(C)C)CC2 ZINC001164686628 719731666 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CWCBKEFXBBYNRZ-FUHWJXTLSA-N 1 0 422.533 2.435 20 0 HEADRO Cn1nnc2c1CCN(c1nc(Cl)ncc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713851 720168735 /nfs/dbraw/zinc/16/87/35/720168735.db2.gz LZZKBKIPNWUHSL-CQSZACIVSA-N 1 0 412.325 2.128 20 0 HEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)NC3CCCC3)nn1)C2 ZINC001164820056 720182008 /nfs/dbraw/zinc/18/20/08/720182008.db2.gz ZGDUDNHPDBHLBO-MBSDFSHPSA-N 1 0 413.566 2.334 20 0 HEADRO COC(=O)c1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ccc1Cl ZINC001164812652 720222024 /nfs/dbraw/zinc/22/20/24/720222024.db2.gz HWQHVVSLKCQLAX-UHFFFAOYSA-N 1 0 419.913 2.329 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(-c3cccnc3F)n1)CCC2 ZINC001164813284 720230151 /nfs/dbraw/zinc/23/01/51/720230151.db2.gz MKGFJKDVQFKXMJ-UHFFFAOYSA-N 1 0 423.496 2.485 20 0 HEADRO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164817717 720285697 /nfs/dbraw/zinc/28/56/97/720285697.db2.gz FNUXTZYWRYAQDQ-WOJBJXKFSA-N 1 0 414.550 2.478 20 0 HEADRO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164817716 720286329 /nfs/dbraw/zinc/28/63/29/720286329.db2.gz FNUXTZYWRYAQDQ-VQTJNVASSA-N 1 0 414.550 2.478 20 0 HEADRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164820827 720287892 /nfs/dbraw/zinc/28/78/92/720287892.db2.gz XSDPKARNLUBHAW-ZWKOTPCHSA-N 1 0 420.941 2.433 20 0 HEADRO COc1cnc(SC)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827351 720295904 /nfs/dbraw/zinc/29/59/04/720295904.db2.gz XBBIGYWYOXPTMU-HZPDHXFCSA-N 1 0 405.568 2.119 20 0 HEADRO CCOC(=O)Cc1cccnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164820178 720301155 /nfs/dbraw/zinc/30/11/55/720301155.db2.gz GZNJOIXERAVCBR-UXHICEINSA-N 1 0 414.550 2.099 20 0 HEADRO CCN(CC)c1cncc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829050 720328458 /nfs/dbraw/zinc/32/84/58/720328458.db2.gz LLQQTPLYNIDFNB-MOPGFXCFSA-N 1 0 400.571 2.234 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(C(N)=O)cc3ccccc32)CC1 ZINC001164823541 720343352 /nfs/dbraw/zinc/34/33/52/720343352.db2.gz GXBBDIWIPXTWEH-RTWAWAEBSA-N 1 0 421.545 2.245 20 0 HEADRO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]21 ZINC001164828514 720421509 /nfs/dbraw/zinc/42/15/09/720421509.db2.gz WPBXOONEHDXBNH-VAMGGRTRSA-N 1 0 416.566 2.170 20 0 HEADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC001164728709 720433396 /nfs/dbraw/zinc/43/33/96/720433396.db2.gz GCBYFJWLCGGWAT-VQTJNVASSA-N 1 0 420.565 2.320 20 0 HEADRO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC001164728708 720434294 /nfs/dbraw/zinc/43/42/94/720434294.db2.gz GCBYFJWLCGGWAT-UXHICEINSA-N 1 0 420.565 2.320 20 0 HEADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC001164728712 720434443 /nfs/dbraw/zinc/43/44/43/720434443.db2.gz GCBYFJWLCGGWAT-WOJBJXKFSA-N 1 0 420.565 2.320 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(Cl)cc3C(N)=O)CC[C@@H]21 ZINC001164840644 720515297 /nfs/dbraw/zinc/51/52/97/720515297.db2.gz XBOFOMHDEJGCKR-ZVZYQTTQSA-N 1 0 402.930 2.408 20 0 HEADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164733377 720523975 /nfs/dbraw/zinc/52/39/75/720523975.db2.gz JGEWNSRLNPCBTB-GFCCVEGCSA-N 1 0 413.856 2.461 20 0 HEADRO Cc1cc(NC(=O)c2cccnc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)no1 ZINC001164736970 720581251 /nfs/dbraw/zinc/58/12/51/720581251.db2.gz WXEVFJFRJGBEGG-UHFFFAOYSA-N 1 0 421.505 2.485 20 0 HEADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(S(C)(=O)=O)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835642 720589452 /nfs/dbraw/zinc/58/94/52/720589452.db2.gz CCTOTUAOCMXOAK-ZIFCJYIRSA-N 1 0 403.552 2.059 20 0 HEADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccnc(-n4ccccc4=O)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836285 720617108 /nfs/dbraw/zinc/61/71/08/720617108.db2.gz FPOBJXRWMIUQRD-SLFFLAALSA-N 1 0 419.533 2.202 20 0 HEADRO 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CN1CCOc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164903076 721549479 /nfs/dbraw/zinc/54/94/79/721549479.db2.gz CBVDVDOURHTXQM-GOEBONIOSA-N 1 0 419.888 2.440 20 0 HEADRO O=c1ccccn1-c1nccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903142 721557304 /nfs/dbraw/zinc/55/73/04/721557304.db2.gz AZXOONIORAFGMM-HKUYNNGSSA-N 1 0 407.449 2.109 20 0 HEADRO CON(C)C(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164910341 721560383 /nfs/dbraw/zinc/56/03/83/721560383.db2.gz WHOQJAOQRMDUEY-PKOBYXMFSA-N 1 0 400.454 2.196 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800388 721569378 /nfs/dbraw/zinc/56/93/78/721569378.db2.gz FIOPSKUUKUCOTM-TXTKFYIRSA-N 1 0 409.534 2.181 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164800386 721569717 /nfs/dbraw/zinc/56/97/17/721569717.db2.gz FIOPSKUUKUCOTM-MZKRTTBSSA-N 1 0 409.534 2.181 20 0 HEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)cc(C(N)=O)n2)CC1 ZINC001165021503 721839997 /nfs/dbraw/zinc/83/99/97/721839997.db2.gz NGYXQMXPLZITRI-UHFFFAOYSA-N 1 0 419.913 2.347 20 0 HEADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c12 ZINC001164919884 721848314 /nfs/dbraw/zinc/84/83/14/721848314.db2.gz DUYIJWCNSVJYON-IRXDYDNUSA-N 1 0 422.533 2.274 20 0 HEADRO CCOC(=O)c1sc2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164919701 721848317 /nfs/dbraw/zinc/84/83/17/721848317.db2.gz CMXHMGANOQDTHY-GJZGRUSLSA-N 1 0 403.552 2.391 20 0 HEADRO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(Cl)n1 ZINC001164925203 721861513 /nfs/dbraw/zinc/86/15/13/721861513.db2.gz DLTLOLGSUPUMTQ-GJZGRUSLSA-N 1 0 402.873 2.281 20 0 HEADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164922344 721873045 /nfs/dbraw/zinc/87/30/45/721873045.db2.gz FUSWQCPGFLBPAL-ROUUACIJSA-N 1 0 417.554 2.067 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CCc2ccccc21 ZINC001164931466 721877914 /nfs/dbraw/zinc/87/79/14/721877914.db2.gz FNYTWROGVVAKRC-VXKWHMMOSA-N 1 0 405.546 2.499 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc(C(=O)Nc2nncs2)cc1Cl ZINC001164931455 721882430 /nfs/dbraw/zinc/88/24/30/721882430.db2.gz FIWQMMQFNCHYHO-LSDHHAIUSA-N 1 0 421.958 2.053 20 0 HEADRO NC(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962274 722056169 /nfs/dbraw/zinc/05/61/69/722056169.db2.gz CIOAHEPFWNCHDS-UHFFFAOYSA-N 1 0 415.925 2.348 20 0 HEADRO c1ncn(Cc2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2)n1 ZINC001164960738 722059928 /nfs/dbraw/zinc/05/99/28/722059928.db2.gz KCKGIHMJZSQWNK-UHFFFAOYSA-N 1 0 419.533 2.235 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CCc4onc(COc5ccccn5)c4C3)n2)CC1 ZINC001164970022 722083043 /nfs/dbraw/zinc/08/30/43/722083043.db2.gz SZIVVOZJBOEZHZ-UHFFFAOYSA-N 1 0 406.490 2.358 20 0 HEADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]21 ZINC001164985771 722097822 /nfs/dbraw/zinc/09/78/22/722097822.db2.gz WOBIOEDWPUQKGQ-ZRCGQRJVSA-N 1 0 420.561 2.379 20 0 HEADRO CN(C)C(=O)N[C@H]1c2ccccc2[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]12 ZINC001164985769 722097875 /nfs/dbraw/zinc/09/78/75/722097875.db2.gz WOBIOEDWPUQKGQ-VIZSFHNOSA-N 1 0 420.561 2.379 20 0 HEADRO Cc1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C(N)=O ZINC001164985155 722102158 /nfs/dbraw/zinc/10/21/58/722102158.db2.gz VCGDMYBUDGHHQU-IAGOWNOFSA-N 1 0 415.925 2.265 20 0 HEADRO CC(C)OC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164982770 722106603 /nfs/dbraw/zinc/10/66/03/722106603.db2.gz OVXPLHDXPMGUSS-AZUAARDMSA-N 1 0 411.506 2.164 20 0 HEADRO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981361 722107670 /nfs/dbraw/zinc/10/76/70/722107670.db2.gz LEKAGVUIWBSNSR-RHSMWYFYSA-N 1 0 419.888 2.095 20 0 HEADRO COC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)c1 ZINC001164973875 722111191 /nfs/dbraw/zinc/11/11/91/722111191.db2.gz HTUQBLJXSFEFLR-QFBILLFUSA-N 1 0 400.454 2.130 20 0 HEADRO CCOC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164977410 722113871 /nfs/dbraw/zinc/11/38/71/722113871.db2.gz NBMHPQIVXORYRW-AZUAARDMSA-N 1 0 411.506 2.084 20 0 HEADRO Clc1ncnc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164983271 722130384 /nfs/dbraw/zinc/13/03/84/722130384.db2.gz SVSBGMPPVBTIIU-RDJZCZTQSA-N 1 0 411.897 2.196 20 0 HEADRO Clc1ncnc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164983270 722130970 /nfs/dbraw/zinc/13/09/70/722130970.db2.gz SVSBGMPPVBTIIU-NVXWUHKLSA-N 1 0 411.897 2.196 20 0 HEADRO c1nc2c(ncnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1C1CC1 ZINC001164984251 722144280 /nfs/dbraw/zinc/14/42/80/722144280.db2.gz WZGOTQDNBDHBTQ-HKUYNNGSSA-N 1 0 405.506 2.284 20 0 HEADRO F[C@H](Oc1ccc(Cl)nn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975310 722157166 /nfs/dbraw/zinc/15/71/66/722157166.db2.gz SCZNALNGQSVXOM-BXWFABGCSA-N 1 0 407.877 2.380 20 0 HEADRO COC(=O)c1cnc(Cl)cc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001708 722250500 /nfs/dbraw/zinc/25/05/00/722250500.db2.gz TVXPPRZICYJTPX-UHFFFAOYSA-N 1 0 407.902 2.207 20 0 HEADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000769659905 1078498089 /nfs/dbraw/zinc/49/80/89/1078498089.db2.gz JQNFADIJWBPVGK-KRWDZBQOSA-N 1 0 411.568 2.295 20 0 HEADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000769659598 1078498704 /nfs/dbraw/zinc/49/87/04/1078498704.db2.gz HPYJKCIMOZEWJP-OAHLLOKOSA-N 1 0 404.536 2.422 20 0 HEADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cnc1Cl ZINC000769672529 1078514054 /nfs/dbraw/zinc/51/40/54/1078514054.db2.gz LUSFWYCECITBKB-SJLPKXTDSA-N 1 0 409.939 2.205 20 0 HEADRO COC(OC)c1ccc(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)o1 ZINC000769710999 1078531607 /nfs/dbraw/zinc/53/16/07/1078531607.db2.gz GVIUIPKKBDFDCO-UHFFFAOYSA-N 1 0 403.479 2.450 20 0 HEADRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000769755909 1078541697 /nfs/dbraw/zinc/54/16/97/1078541697.db2.gz LJEATSPKUPEGKP-MOPGFXCFSA-N 1 0 409.552 2.143 20 0 HEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)C1 ZINC000769779796 1078562556 /nfs/dbraw/zinc/56/25/56/1078562556.db2.gz WNBWRZUQNLIOOL-ZDUSSCGKSA-N 1 0 419.400 2.344 20 0 HEADRO CC(C)=CC(=O)NCc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000745632057 1078565319 /nfs/dbraw/zinc/56/53/19/1078565319.db2.gz AGAVYFVQSCAZJU-UHFFFAOYSA-N 1 0 413.518 2.169 20 0 HEADRO COc1ccc(C[NH+]2CCC(CNS(=O)(=O)c3cn(C)c(Cl)n3)CC2)cc1 ZINC000769896214 1078618457 /nfs/dbraw/zinc/61/84/57/1078618457.db2.gz XJPZHTQNFLEYIS-UHFFFAOYSA-N 1 0 412.943 2.273 20 0 HEADRO CCOC(=O)C1=C(C[NH2+][C@@](C)(CC)COc2ncccc2Cl)NC(=O)N[C@H]1C ZINC000769917497 1078633828 /nfs/dbraw/zinc/63/38/28/1078633828.db2.gz DMNSWPDJBZIDKG-BUXKBTBVSA-N 1 0 410.902 2.391 20 0 HEADRO COCC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000745780008 1078639768 /nfs/dbraw/zinc/63/97/68/1078639768.db2.gz GWQHIFFPTUOUGQ-AEFFLSMTSA-N 1 0 412.575 2.480 20 0 HEADRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(N2CCOC2=O)cc1 ZINC000745783176 1078641355 /nfs/dbraw/zinc/64/13/55/1078641355.db2.gz ZDGCZCMCIKIQRE-VQIMIIECSA-N 1 0 404.511 2.456 20 0 HEADRO NC(=O)COc1cccc(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000745785002 1078642457 /nfs/dbraw/zinc/64/24/57/1078642457.db2.gz FVHDMPVBVACIIF-UHFFFAOYSA-N 1 0 402.539 2.395 20 0 HEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000745796589 1078651057 /nfs/dbraw/zinc/65/10/57/1078651057.db2.gz CBRNVWYWQLMKBM-ZWKOTPCHSA-N 1 0 412.575 2.386 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)C1 ZINC000769955154 1078651296 /nfs/dbraw/zinc/65/12/96/1078651296.db2.gz IUSFPPGXFZLBMT-QGZVFWFLSA-N 1 0 403.527 2.489 20 0 HEADRO Cc1cc([C@@](C)(O)CNC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c(C)o1 ZINC000745798570 1078651903 /nfs/dbraw/zinc/65/19/03/1078651903.db2.gz HLGFEJXIQZMYCP-GGAORHGYSA-N 1 0 414.550 2.392 20 0 HEADRO C[C@H]1C[NH+](CCCCNC(=O)c2nccn3c(Br)cnc23)C[C@H](C)O1 ZINC000769959622 1078652353 /nfs/dbraw/zinc/65/23/53/1078652353.db2.gz NIGLAZZJJOYIIY-STQMWFEESA-N 1 0 410.316 2.111 20 0 HEADRO 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 1078655445 /nfs/dbraw/zinc/65/54/45/1078655445.db2.gz XRGZWQQGWNSVCV-QROBEVECSA-N 1 0 424.904 2.045 20 0 HEADRO 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 1078655521 /nfs/dbraw/zinc/65/55/21/1078655521.db2.gz XRGZWQQGWNSVCV-ADYAMRHXSA-N 1 0 424.904 2.045 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000745824514 1078664354 /nfs/dbraw/zinc/66/43/54/1078664354.db2.gz JOIKXGQUIOSTSB-IBGZPJMESA-N 1 0 410.522 2.114 20 0 HEADRO C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCN1C(=O)OC(C)(C)C ZINC000745825362 1078664940 /nfs/dbraw/zinc/66/49/40/1078664940.db2.gz PCCTYZJZAFAQDK-AEFFLSMTSA-N 1 0 410.559 2.281 20 0 HEADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N[C@@H](CCO)C2CC2)CC1 ZINC000745848471 1078669177 /nfs/dbraw/zinc/66/91/77/1078669177.db2.gz GMPORXIHZNDKIW-KRWDZBQOSA-N 1 0 414.472 2.417 20 0 HEADRO Cc1nonc1CNC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000745849347 1078669740 /nfs/dbraw/zinc/66/97/40/1078669740.db2.gz OCWFONFSMJIINK-UHFFFAOYSA-N 1 0 412.416 2.148 20 0 HEADRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000769987727 1078674825 /nfs/dbraw/zinc/67/48/25/1078674825.db2.gz HMLSUDMYJQIZKQ-UYAOXDASSA-N 1 0 415.538 2.016 20 0 HEADRO CC(C)COC(=O)N1CCN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000745879407 1078682439 /nfs/dbraw/zinc/68/24/39/1078682439.db2.gz RWAWWHWURVOIIW-UHFFFAOYSA-N 1 0 423.602 2.057 20 0 HEADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000769991510 1078676906 /nfs/dbraw/zinc/67/69/06/1078676906.db2.gz SFEZDJJTSGHPAL-XSFVSMFZSA-N 1 0 418.559 2.284 20 0 HEADRO CN1CCC(CNC(=O)NC[C@]2(O)CCCc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000745878920 1078682686 /nfs/dbraw/zinc/68/26/86/1078682686.db2.gz UWEJYXZDOVXUJJ-XMMPIXPASA-N 1 0 414.594 2.460 20 0 HEADRO CCCn1c(Nc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)cc(=O)n(CCC)c1=O ZINC001170012434 1078699365 /nfs/dbraw/zinc/69/93/65/1078699365.db2.gz SODLBZZEMHIHOW-UHFFFAOYSA-N 1 0 413.522 2.137 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000745926673 1078699723 /nfs/dbraw/zinc/69/97/23/1078699723.db2.gz GTYPWGCZKRXAFK-UHFFFAOYSA-N 1 0 407.515 2.225 20 0 HEADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745944125 1078708731 /nfs/dbraw/zinc/70/87/31/1078708731.db2.gz PGRKNRMSCAOCCB-MSOLQXFVSA-N 1 0 407.511 2.326 20 0 HEADRO COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945567 1078709110 /nfs/dbraw/zinc/70/91/10/1078709110.db2.gz VRRGYEDSMAUYSH-JKSUJKDBSA-N 1 0 410.511 2.385 20 0 HEADRO CC(C)C[C@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 ZINC000745986537 1078719621 /nfs/dbraw/zinc/71/96/21/1078719621.db2.gz KSVIUYIGMYWTHP-MRXNPFEDSA-N 1 0 406.552 2.464 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)Nc2ccccc2N2CC[NH+](C)CC2)ccc1C ZINC000745994411 1078724161 /nfs/dbraw/zinc/72/41/61/1078724161.db2.gz CSJQNYIOBJMXOW-UHFFFAOYSA-N 1 0 403.504 2.334 20 0 HEADRO Cc1cncc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)c1 ZINC001170013065 1078731063 /nfs/dbraw/zinc/73/10/63/1078731063.db2.gz BTGQGEYFDYGWOL-SJORKVTESA-N 1 0 406.552 2.391 20 0 HEADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000746019203 1078736322 /nfs/dbraw/zinc/73/63/22/1078736322.db2.gz MSPXRPAWGNYXGH-NRFANRHFSA-N 1 0 422.529 2.328 20 0 HEADRO CCC[C@H]1CN(C(=O)c2nccn3c(Br)cnc23)CC[N@@H+]1CCOC ZINC000770156186 1078757116 /nfs/dbraw/zinc/75/71/16/1078757116.db2.gz HKBOASCKDFVGMP-ZDUSSCGKSA-N 1 0 410.316 2.065 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000770174104 1078769790 /nfs/dbraw/zinc/76/97/90/1078769790.db2.gz RVGXGIBKBNGWLL-LJQANCHMSA-N 1 0 416.566 2.177 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000770174084 1078769855 /nfs/dbraw/zinc/76/98/55/1078769855.db2.gz RLRSINRPMIIFCN-OAHLLOKOSA-N 1 0 420.355 2.391 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000770174102 1078769949 /nfs/dbraw/zinc/76/99/49/1078769949.db2.gz RVGXGIBKBNGWLL-IBGZPJMESA-N 1 0 416.566 2.177 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000746149783 1078806511 /nfs/dbraw/zinc/80/65/11/1078806511.db2.gz NWBDVJVLPFDPPY-GCJKJVERSA-N 1 0 403.523 2.139 20 0 HEADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCc1ccc(N2CCCCC2=O)cc1 ZINC000746158513 1078809320 /nfs/dbraw/zinc/80/93/20/1078809320.db2.gz FCFLGPYOJDMIJJ-UHFFFAOYSA-N 1 0 421.545 2.427 20 0 HEADRO C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000746171666 1078809679 /nfs/dbraw/zinc/80/96/79/1078809679.db2.gz XWEZORJZUDPPPQ-HXOBKFHXSA-N 1 0 409.486 2.457 20 0 HEADRO C[NH+](C)CCN1C[C@@H](C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1=O ZINC000746160333 1078812562 /nfs/dbraw/zinc/81/25/62/1078812562.db2.gz ZZNVCIMGEKYAET-SFHVURJKSA-N 1 0 414.594 2.479 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000746223461 1078825915 /nfs/dbraw/zinc/82/59/15/1078825915.db2.gz DRQFSKRFFKBQND-WOJBJXKFSA-N 1 0 417.550 2.169 20 0 HEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)/C=C\c1ccccc1Br ZINC000770291947 1078817490 /nfs/dbraw/zinc/81/74/90/1078817490.db2.gz HYKBXJHNROZSFF-CKNOQMABSA-N 1 0 416.385 2.365 20 0 HEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000770293108 1078818777 /nfs/dbraw/zinc/81/87/77/1078818777.db2.gz ORJLUXSYYJZSCH-MYWXAZLQSA-N 1 0 416.385 2.365 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000746234675 1078826584 /nfs/dbraw/zinc/82/65/84/1078826584.db2.gz WATKAQIPTGHSRV-CVDCTZTESA-N 1 0 417.550 2.387 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000770298926 1078821476 /nfs/dbraw/zinc/82/14/76/1078821476.db2.gz MOSIPBWZKGIKQT-QZTJIDSGSA-N 1 0 408.587 2.166 20 0 HEADRO Cc1c[nH]c(=O)n1-c1ccc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000746217773 1078824184 /nfs/dbraw/zinc/82/41/84/1078824184.db2.gz CMVHBWSSRPRCSI-OAQYLSRUSA-N 1 0 406.486 2.035 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000746218324 1078824623 /nfs/dbraw/zinc/82/46/23/1078824623.db2.gz FKEUPRUZADFTPL-XXBNENTESA-N 1 0 417.550 2.169 20 0 HEADRO C[C@](O)(C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 ZINC000746219645 1078824881 /nfs/dbraw/zinc/82/48/81/1078824881.db2.gz LYUBBPPXWWNSAG-TZIWHRDSSA-N 1 0 422.447 2.448 20 0 HEADRO CC(C)(C)OC(=O)N(CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)CC1CC1 ZINC000746223000 1078825594 /nfs/dbraw/zinc/82/55/94/1078825594.db2.gz DDXFSKYGHLNEJQ-HXUWFJFHSA-N 1 0 417.550 2.169 20 0 HEADRO CC(C)OC(=O)N1CCC(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000746255790 1078833403 /nfs/dbraw/zinc/83/34/03/1078833403.db2.gz AWKJRGNPGSALNF-UHFFFAOYSA-N 1 0 402.539 2.173 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000770380456 1078834694 /nfs/dbraw/zinc/83/46/94/1078834694.db2.gz IADSXNAVKLDVKS-FUHWJXTLSA-N 1 0 403.527 2.204 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000770352880 1078839163 /nfs/dbraw/zinc/83/91/63/1078839163.db2.gz PYQQRWPTFMJWOW-BFYDXBDKSA-N 1 0 400.976 2.121 20 0 HEADRO C[NH2+]C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000746286654 1078836326 /nfs/dbraw/zinc/83/63/26/1078836326.db2.gz BDWVMTDBGOTATO-ILCZHQDMSA-N 1 0 405.564 2.157 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCc2nccs2)C[C@H]1C(=O)N1CCSC1 ZINC001170014384 1078841869 /nfs/dbraw/zinc/84/18/69/1078841869.db2.gz PBSSMAGVFNJLEN-KGLIPLIRSA-N 1 0 412.581 2.186 20 0 HEADRO 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ITZVPDFJZNCRRE-INIZCTEOSA-N 1 0 410.609 2.297 20 0 HEADRO CC[C@@H]([NH2+]Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[nH]1)C1CCOCC1 ZINC000746400829 1078897929 /nfs/dbraw/zinc/89/79/29/1078897929.db2.gz URTCANOIZPFTQZ-CQSZACIVSA-N 1 0 423.535 2.391 20 0 HEADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)Nc1ccnn1CC1CC1 ZINC000746403707 1078901187 /nfs/dbraw/zinc/90/11/87/1078901187.db2.gz VJNHLDHQTNHJAR-UHFFFAOYSA-N 1 0 411.506 2.023 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000770603219 1078912065 /nfs/dbraw/zinc/91/20/65/1078912065.db2.gz HECZLMJTMGNMMU-XMSQKQJNSA-N 1 0 423.602 2.055 20 0 HEADRO C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000766355744 1078910850 /nfs/dbraw/zinc/91/08/50/1078910850.db2.gz QFDLREBUXACOAP-FPOVZHCZSA-N 1 0 416.566 2.035 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCC(F)CC4)[C@@H]3C2)CC1 ZINC001168780095 1078900409 /nfs/dbraw/zinc/90/04/09/1078900409.db2.gz OLCMCBOLYAMUGM-YLOMTKGQSA-N 1 0 410.530 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C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770647953 1078937177 /nfs/dbraw/zinc/93/71/77/1078937177.db2.gz CVXWRQFFZRFCOH-DOIPELPJSA-N 1 0 415.534 2.355 20 0 HEADRO CC(C)CN1C(=O)C(=O)N(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000770650474 1078938250 /nfs/dbraw/zinc/93/82/50/1078938250.db2.gz DRLLNKSXNMVOCZ-UHFFFAOYSA-N 1 0 401.511 2.024 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)CC1 ZINC000770654264 1078940448 /nfs/dbraw/zinc/94/04/48/1078940448.db2.gz GGXNQPATJGOISU-APWZRJJASA-N 1 0 405.564 2.098 20 0 HEADRO Cc1nn(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c(=S)n1CC(=O)N(C)C ZINC000766374822 1078941984 /nfs/dbraw/zinc/94/19/84/1078941984.db2.gz JIIWLFASQIMBLU-IRXDYDNUSA-N 1 0 416.595 2.363 20 0 HEADRO COCC[N@H+](C)CCCC1CCN(CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000766377976 1078945556 /nfs/dbraw/zinc/94/55/56/1078945556.db2.gz GOIOHTRKXQZGNC-UHFFFAOYSA-N 1 0 402.539 2.483 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000766412416 1078967027 /nfs/dbraw/zinc/96/70/27/1078967027.db2.gz MPPYBPQOVKZSNE-RTWAWAEBSA-N 1 0 415.534 2.216 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CCc2nc3sc4c(c3c(N)n2)CCCC4)CCCOC1 ZINC000770700900 1078968898 /nfs/dbraw/zinc/96/88/98/1078968898.db2.gz RDHJRDDNXRBVGZ-FQEVSTJZSA-N 1 0 404.536 2.397 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CCN2c3cccc4cccc(c34)S2(=O)=O)CCCOC1 ZINC000770701872 1078969934 /nfs/dbraw/zinc/96/99/34/1078969934.db2.gz UYQUZTUXYYGDOD-FQEVSTJZSA-N 1 0 404.488 2.050 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)C1 ZINC000746454067 1078983621 /nfs/dbraw/zinc/98/36/21/1078983621.db2.gz NYDPWPIKIZBIOM-OAHLLOKOSA-N 1 0 422.957 2.465 20 0 HEADRO CC(=O)N1CCC2(CC1)c1ccc(-n3cnc(C)c3CSCC[NH3+])cc1NC2=O ZINC001168788479 1078977196 /nfs/dbraw/zinc/97/71/96/1078977196.db2.gz SJQAFGGUDRWNKZ-UHFFFAOYSA-N 1 0 413.547 2.205 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)CCCOC1 ZINC000770710563 1078979829 /nfs/dbraw/zinc/97/98/29/1078979829.db2.gz RWHYWMAQPYUZKV-INIZCTEOSA-N 1 0 421.238 2.368 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000766417328 1078984146 /nfs/dbraw/zinc/98/41/46/1078984146.db2.gz DUIGBGVUPZCYII-FQEVSTJZSA-N 1 0 415.534 2.358 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000746454855 1078985303 /nfs/dbraw/zinc/98/53/03/1078985303.db2.gz QUKQCRNVJQFNAX-KRWDZBQOSA-N 1 0 416.522 2.374 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N[C@H](CO)CC(C)(C)C)cc2)CC1 ZINC000746449173 1078987599 /nfs/dbraw/zinc/98/75/99/1078987599.db2.gz DNTUDQUJDWUQSW-IBGZPJMESA-N 1 0 418.582 2.316 20 0 HEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C(C)(C)C)n2ncnc2n1 ZINC001168791025 1078988728 /nfs/dbraw/zinc/98/87/28/1078988728.db2.gz CLEHSHWUZFVHMI-QHCPKHFHSA-N 1 0 422.533 2.131 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccco4)[C@H]3C2)CC1 ZINC001168790790 1078988962 /nfs/dbraw/zinc/98/89/62/1078988962.db2.gz QGALGJSAGIQSSU-ICBWNBFLSA-N 1 0 404.507 2.468 20 0 HEADRO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000766446161 1078992939 /nfs/dbraw/zinc/99/29/39/1078992939.db2.gz NDDNPTZOTIPADW-UHFFFAOYSA-N 1 0 400.475 2.440 20 0 HEADRO C[C@@](O)(CCNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000804278559 1078998992 /nfs/dbraw/zinc/99/89/92/1078998992.db2.gz CBQPQHLAVPOIQG-HYBUGGRVSA-N 1 0 409.530 2.039 20 0 HEADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOc1ccc(F)cc1 ZINC001109721406 1079003784 /nfs/dbraw/zinc/00/37/84/1079003784.db2.gz BXIVQGNERYABQP-XZEJUNMKSA-N 1 0 403.498 2.040 20 0 HEADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000746454375 1079005123 /nfs/dbraw/zinc/00/51/23/1079005123.db2.gz OZXAGWJPNZATQD-UXHICEINSA-N 1 0 423.448 2.460 20 0 HEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC001168792121 1078996764 /nfs/dbraw/zinc/99/67/64/1078996764.db2.gz RJULHBRWWFRMCA-XXBNENTESA-N 1 0 402.535 2.450 20 0 HEADRO Cn1ncc(NC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1C1CC1 ZINC000770782849 1079013223 /nfs/dbraw/zinc/01/32/23/1079013223.db2.gz SRGRICZEGNFDKH-UHFFFAOYSA-N 1 0 410.522 2.405 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C1 ZINC000746469309 1079018670 /nfs/dbraw/zinc/01/86/70/1079018670.db2.gz BCUSEBWBESGSMI-BBRMVZONSA-N 1 0 403.495 2.284 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000770802781 1079025652 /nfs/dbraw/zinc/02/56/52/1079025652.db2.gz QREGHYSSTUDBKC-IBGZPJMESA-N 1 0 424.545 2.346 20 0 HEADRO CCOC(=O)C1=C(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)NC(=O)N[C@@H]1c1ccco1 ZINC000746473014 1079026990 /nfs/dbraw/zinc/02/69/90/1079026990.db2.gz SHIHBKXOFOUMHH-ZSZQSSIHSA-N 1 0 404.511 2.113 20 0 HEADRO C[C@@H]1C[C@H]([NH2+]C[C@H]2Cn3nnc(-c4cccnc4)c3CO2)CN1C(=O)OC(C)(C)C ZINC001168807902 1079044017 /nfs/dbraw/zinc/04/40/17/1079044017.db2.gz PLQZPIWYSJPHGM-PVAVHDDUSA-N 1 0 414.510 2.226 20 0 HEADRO Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC001168799774 1079040245 /nfs/dbraw/zinc/04/02/45/1079040245.db2.gz YFQCXUFVEXBTTH-UHFFFAOYSA-N 1 0 416.551 2.102 20 0 HEADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(F)nc1 ZINC000766503582 1079045604 /nfs/dbraw/zinc/04/56/04/1079045604.db2.gz DVYNQYSUXWUZKA-UHFFFAOYSA-N 1 0 414.481 2.347 20 0 HEADRO CC(C)S(=O)(=O)N1CCC(C[NH2+][C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168828567 1079048023 /nfs/dbraw/zinc/04/80/23/1079048023.db2.gz IJHJLHHVBMSPRF-WBVHZDCISA-N 1 0 403.589 2.424 20 0 HEADRO O=C(CC[NH+]1CCC(OC[C@H]2CCOC2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC001168860540 1079055544 /nfs/dbraw/zinc/05/55/44/1079055544.db2.gz YRUSPRWVQQYBGM-KRWDZBQOSA-N 1 0 415.534 2.425 20 0 HEADRO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168853117 1079052663 /nfs/dbraw/zinc/05/26/63/1079052663.db2.gz DVWOMJLAFQCLFK-CWQOZTLDSA-N 1 0 409.527 2.170 20 0 HEADRO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168853124 1079052761 /nfs/dbraw/zinc/05/27/61/1079052761.db2.gz DVWOMJLAFQCLFK-YYWYGQEZSA-N 1 0 409.527 2.170 20 0 HEADRO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)CN1C(=O)OC(C)(C)C ZINC001168854198 1079053130 /nfs/dbraw/zinc/05/31/30/1079053130.db2.gz GNNIFNZFOPKLHS-ZOCZFRKYSA-N 1 0 403.527 2.247 20 0 HEADRO 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 ZINC001168855966 1079053903 /nfs/dbraw/zinc/05/39/03/1079053903.db2.gz KRKLSLHIOJSPSE-QXCZDIPSSA-N 1 0 423.554 2.275 20 0 HEADRO C[C@@H]([NH2+]CCNc1ccccc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766513478 1079054439 /nfs/dbraw/zinc/05/44/39/1079054439.db2.gz ALMLXRCCAFSILW-OAHLLOKOSA-N 1 0 411.549 2.175 20 0 HEADRO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)CN1C(=O)OC(C)(C)C ZINC001168860677 1079056004 /nfs/dbraw/zinc/05/60/04/1079056004.db2.gz WEJYDGYNHIFEMJ-SUWCGCSTSA-N 1 0 422.570 2.138 20 0 HEADRO 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 ZINC001168861323 1079056009 /nfs/dbraw/zinc/05/60/09/1079056009.db2.gz XWMSLRLNHZRLDD-SUWCGCSTSA-N 1 0 409.571 2.495 20 0 HEADRO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168865420 1079057260 /nfs/dbraw/zinc/05/72/60/1079057260.db2.gz MFAQONZPZXHCAP-ZOCZFRKYSA-N 1 0 401.511 2.303 20 0 HEADRO NC(=O)[C@](O)(C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1ccccc1 ZINC001168847583 1079060311 /nfs/dbraw/zinc/06/03/11/1079060311.db2.gz CREJGTZNEVZOAQ-NRFANRHFSA-N 1 0 417.893 2.069 20 0 HEADRO [NH3+]Cc1cccc(-c2nnn(-c3ncc(NC(=O)c4ccc(F)c(F)c4)cn3)n2)c1 ZINC001168876429 1079065388 /nfs/dbraw/zinc/06/53/88/1079065388.db2.gz CDBPVUTYPCQREX-UHFFFAOYSA-N 1 0 408.372 2.109 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]C3CCN(C(=O)NC(C)C)CC3)CC2=O)cc1 ZINC001168907788 1079072436 /nfs/dbraw/zinc/07/24/36/1079072436.db2.gz CHUKMCSAYWQEMJ-IBGZPJMESA-N 1 0 402.539 2.358 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccccc3S(C)(=O)=O)CC2=O)cc1 ZINC001168908382 1079072786 /nfs/dbraw/zinc/07/27/86/1079072786.db2.gz IQNSNZROIDZSLZ-GOSISDBHSA-N 1 0 402.516 2.380 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]C3CCN(C(=O)c4cccnc4)CC3)CC2=O)cc1 ZINC001168910295 1079073179 /nfs/dbraw/zinc/07/31/79/1079073179.db2.gz VUCLQXLBOKVUKG-NRFANRHFSA-N 1 0 422.529 2.476 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCN(C(=O)c4cccnc4)C3)CC2=O)cc1 ZINC001168913492 1079074343 /nfs/dbraw/zinc/07/43/43/1079074343.db2.gz GWTZWQPGRARSBY-VQTJNVASSA-N 1 0 408.502 2.086 20 0 HEADRO CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000770915706 1079075918 /nfs/dbraw/zinc/07/59/18/1079075918.db2.gz XUVRVDGMLRGNGO-CRAIPNDOSA-N 1 0 403.504 2.057 20 0 HEADRO CS[C@@H]1CN(CC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)C[C@H]1[NH+](C)C ZINC001168934408 1079078537 /nfs/dbraw/zinc/07/85/37/1079078537.db2.gz WOYVCTQLOCCDKF-WOJBJXKFSA-N 1 0 415.607 2.393 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CCc4onc(Cn5cccn5)c4C3)CC2=O)cc1 ZINC001168935050 1079078851 /nfs/dbraw/zinc/07/88/51/1079078851.db2.gz KPWQIROQLJBGEC-SFHVURJKSA-N 1 0 421.501 2.477 20 0 HEADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)cn1 ZINC001168881152 1079067873 /nfs/dbraw/zinc/06/78/73/1079067873.db2.gz ODDSOZHCWLHEGC-SFHVURJKSA-N 1 0 417.531 2.165 20 0 HEADRO CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168941892 1079081406 /nfs/dbraw/zinc/08/14/06/1079081406.db2.gz PMQKJLIRQIMWNV-MJGOQNOKSA-N 1 0 402.491 2.030 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(CCc4ccncc4)CC3)CC2=O)cc1 ZINC001168943468 1079081828 /nfs/dbraw/zinc/08/18/28/1079081828.db2.gz VYQICKAPGZKQKO-QFIPXVFZSA-N 1 0 408.546 2.442 20 0 HEADRO CCCNC(=O)COC1CC[NH+]([C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168958816 1079091851 /nfs/dbraw/zinc/09/18/51/1079091851.db2.gz QAMNVZZSOFHZQJ-IBGZPJMESA-N 1 0 417.550 2.193 20 0 HEADRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC001168968720 1079093358 /nfs/dbraw/zinc/09/33/58/1079093358.db2.gz MPKYCEFEOWWGBG-ZDUSSCGKSA-N 1 0 407.540 2.273 20 0 HEADRO COC(=O)N1CCc2nnc(-n3c(CCC[NH3+])nc4ccc(Cl)cc43)cc2C1 ZINC001168994239 1079095326 /nfs/dbraw/zinc/09/53/26/1079095326.db2.gz PKXBDVRMLIJYIM-UHFFFAOYSA-N 1 0 400.870 2.485 20 0 HEADRO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[N@@H+]3CC[C@@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC001169003438 1079097356 /nfs/dbraw/zinc/09/73/56/1079097356.db2.gz HPVBIJKXCMXDEY-QZTJIDSGSA-N 1 0 422.570 2.329 20 0 HEADRO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[N@@H+]3CC[C@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC001169003441 1079097384 /nfs/dbraw/zinc/09/73/84/1079097384.db2.gz HPVBIJKXCMXDEY-ZWKOTPCHSA-N 1 0 422.570 2.329 20 0 HEADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000770997307 1079098888 /nfs/dbraw/zinc/09/88/88/1079098888.db2.gz GUSCZNRTEVALCJ-UONOGXRCSA-N 1 0 421.485 2.363 20 0 HEADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771041195 1079099779 /nfs/dbraw/zinc/09/97/79/1079099779.db2.gz UMRKJOWSKHQQEW-UXHICEINSA-N 1 0 403.523 2.307 20 0 HEADRO CC(=O)Oc1cn(C(C)=O)c2ccc(Br)c(-n3nc(CC[NH3+])nc3C)c12 ZINC001168987083 1079101435 /nfs/dbraw/zinc/10/14/35/1079101435.db2.gz CIIFLESBAGSXBN-UHFFFAOYSA-N 1 0 420.267 2.380 20 0 HEADRO COc1ccc(Br)c2[nH]c(C(=O)N3CCC(O)(C[NH+](C)C)CC3)cc21 ZINC001169030616 1079103310 /nfs/dbraw/zinc/10/33/10/1079103310.db2.gz DCSRJOYJCIYGIS-UHFFFAOYSA-N 1 0 410.312 2.468 20 0 HEADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000771026138 1079108769 /nfs/dbraw/zinc/10/87/69/1079108769.db2.gz UMSHVORIRPHIIV-CYBMUJFWSA-N 1 0 419.469 2.069 20 0 HEADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000771026139 1079108889 /nfs/dbraw/zinc/10/88/89/1079108889.db2.gz UMSHVORIRPHIIV-ZDUSSCGKSA-N 1 0 419.469 2.069 20 0 HEADRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC001169043063 1079109222 /nfs/dbraw/zinc/10/92/22/1079109222.db2.gz CTBZSNJATSXFMY-QFBILLFUSA-N 1 0 404.511 2.360 20 0 HEADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001626110931 1079117612 /nfs/dbraw/zinc/11/76/12/1079117612.db2.gz GSTOBDGCFPPZCP-ICSRJNTNSA-N 1 0 415.559 2.382 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(OC)cc3C)cc2)CC1 ZINC000766579910 1079118982 /nfs/dbraw/zinc/11/89/82/1079118982.db2.gz CAZICMGLIYJKNC-UHFFFAOYSA-N 1 0 410.518 2.400 20 0 HEADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[NH+](CCCCCO)CC1 ZINC001169065132 1079120549 /nfs/dbraw/zinc/12/05/49/1079120549.db2.gz PPIYYESXPMNGSI-AWEZNQCLSA-N 1 0 416.349 2.419 20 0 HEADRO COc1cc2nc(-c3ccccc3)nc(-n3cncc3C[C@@H]([NH3+])CO)c2cc1OC ZINC001169072716 1079124913 /nfs/dbraw/zinc/12/49/13/1079124913.db2.gz TYDYWODLTMJISH-OAHLLOKOSA-N 1 0 405.458 2.362 20 0 HEADRO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000771117434 1079139301 /nfs/dbraw/zinc/13/93/01/1079139301.db2.gz VNWYIVSITUWFTR-QGZVFWFLSA-N 1 0 405.543 2.143 20 0 HEADRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CCN1c1nccn2cnnc12 ZINC000771118484 1079140329 /nfs/dbraw/zinc/14/03/29/1079140329.db2.gz CEYIJYDBVULQLH-CJNGLKHVSA-N 1 0 406.412 2.387 20 0 HEADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000766595826 1079142541 /nfs/dbraw/zinc/14/25/41/1079142541.db2.gz QWTVLKSDPYIHTE-HOTGVXAUSA-N 1 0 408.506 2.123 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128287 1079147075 /nfs/dbraw/zinc/14/70/75/1079147075.db2.gz CFTLOQXMBYZKCP-JYLXEMOASA-N 1 0 400.498 2.288 20 0 HEADRO CN(Cc1ccccn1)C(=O)C1=NO[C@]2(C1)CCCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169129885 1079150811 /nfs/dbraw/zinc/15/08/11/1079150811.db2.gz LHGANGVGFINBLD-VAWZGJIGSA-N 1 0 411.550 2.276 20 0 HEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771105807 1079154559 /nfs/dbraw/zinc/15/45/59/1079154559.db2.gz ZGMZKFRLKNUEHF-RBZFPXEDSA-N 1 0 424.904 2.237 20 0 HEADRO CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001169107351 1079157287 /nfs/dbraw/zinc/15/72/87/1079157287.db2.gz XGHAQMSNJCNGCB-ROUUACIJSA-N 1 0 400.479 2.288 20 0 HEADRO COC(=O)[C@@](C)(N)Cc1cn(-c2nc(Cl)nc3c2CC[NH2+]CC3)c2ccccc12 ZINC001169112076 1079159653 /nfs/dbraw/zinc/15/96/53/1079159653.db2.gz NATNMEPJJRUOKM-NRFANRHFSA-N 1 0 413.909 2.195 20 0 HEADRO O=C(Nc1ccc(CN2CCOC2=O)cc1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766608678 1079163326 /nfs/dbraw/zinc/16/33/26/1079163326.db2.gz UYHLVWKGUDRFCD-UHFFFAOYSA-N 1 0 414.506 2.054 20 0 HEADRO Cc1ccc(C)c(CC[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169160012 1079169286 /nfs/dbraw/zinc/16/92/86/1079169286.db2.gz ADMWMWNWMHNMJZ-GOSISDBHSA-N 1 0 411.550 2.442 20 0 HEADRO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)C2)c1 ZINC001169149872 1079166554 /nfs/dbraw/zinc/16/65/54/1079166554.db2.gz OXIMTKKHUABEGK-WOJBJXKFSA-N 1 0 416.566 2.237 20 0 HEADRO CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)cc1 ZINC001169150735 1079166681 /nfs/dbraw/zinc/16/66/81/1079166681.db2.gz UUOVXWNFDKJHKJ-FQEVSTJZSA-N 1 0 415.559 2.226 20 0 HEADRO CN(C)C(=O)CC1CC[NH+](CC2(O)C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001169151843 1079167274 /nfs/dbraw/zinc/16/72/74/1079167274.db2.gz FYIWJPKRWAIWSL-VSOVRNOCSA-N 1 0 409.571 2.470 20 0 HEADRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169167236 1079175295 /nfs/dbraw/zinc/17/52/95/1079175295.db2.gz FKYJEGXYNLFYIM-HZPDHXFCSA-N 1 0 413.522 2.352 20 0 HEADRO C[C@H]([NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)c1cncnc1 ZINC001170022260 1079177767 /nfs/dbraw/zinc/17/77/67/1079177767.db2.gz PDBVFFNQQBXGFY-IMJJTQAJSA-N 1 0 407.540 2.038 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1cnc(Cl)s1 ZINC001169190337 1079178254 /nfs/dbraw/zinc/17/82/54/1079178254.db2.gz FSIDTXMHWOUJOF-LBPRGKRZSA-N 1 0 424.958 2.234 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001169200875 1079183624 /nfs/dbraw/zinc/18/36/24/1079183624.db2.gz DQNVSMBSGXYDNI-SJLPKXTDSA-N 1 0 410.522 2.225 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc2ncccc2c1 ZINC001169169513 1079185443 /nfs/dbraw/zinc/18/54/43/1079185443.db2.gz QKPNITIRCANFSM-INIZCTEOSA-N 1 0 420.517 2.331 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCCc2ncccc21 ZINC001169172719 1079188137 /nfs/dbraw/zinc/18/81/37/1079188137.db2.gz UVTSSQOZOCPJRP-YJBOKZPZSA-N 1 0 410.522 2.055 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000771138825 1079188434 /nfs/dbraw/zinc/18/84/34/1079188434.db2.gz GLSMMIGXLXSXLU-UHFFFAOYSA-N 1 0 407.534 2.200 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](c1ccccn1)C1CC1 ZINC001169175277 1079190088 /nfs/dbraw/zinc/19/00/88/1079190088.db2.gz LJMDJRORPHPMEU-YJBOKZPZSA-N 1 0 410.522 2.128 20 0 HEADRO CCCN(CCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC000804309383 1079190129 /nfs/dbraw/zinc/19/01/29/1079190129.db2.gz CMOUKUOPDUHUMK-UHFFFAOYSA-N 1 0 412.575 2.083 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CCc1cccc(F)c1 ZINC001169213929 1079197934 /nfs/dbraw/zinc/19/79/34/1079197934.db2.gz UWZVMJIGKYZWEP-MRXNPFEDSA-N 1 0 415.513 2.306 20 0 HEADRO CCCC[N@H+](C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771181170 1079212145 /nfs/dbraw/zinc/21/21/45/1079212145.db2.gz VBYZKURZMLYHJC-IBGZPJMESA-N 1 0 412.893 2.094 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)/C=C/c3ccc4c(c3)NC(=O)CO4)CC[NH2+]2)c1 ZINC001169261805 1079205805 /nfs/dbraw/zinc/20/58/05/1079205805.db2.gz XEOKUZNTLMWGNI-JHTBKMLMSA-N 1 0 407.470 2.082 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)[C@@H]3CSCN3C(=O)CC(C)(C)C)CC[NH2+]2)c1 ZINC001169249789 1079211793 /nfs/dbraw/zinc/21/17/93/1079211793.db2.gz DOORXKZACZPLGX-MJGOQNOKSA-N 1 0 419.591 2.376 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(CN3C(=O)CC4(CCC(C)CC4)C3=O)CC2)CC1 ZINC000771175681 1079209707 /nfs/dbraw/zinc/20/97/07/1079209707.db2.gz QJAWUGVFLASAFO-UHFFFAOYSA-N 1 0 404.599 2.390 20 0 HEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771175046 1079210019 /nfs/dbraw/zinc/21/00/19/1079210019.db2.gz KJKPOYKJDJOFJE-XOBRGWDASA-N 1 0 424.904 2.237 20 0 HEADRO C[C@@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000771237877 1079221434 /nfs/dbraw/zinc/22/14/34/1079221434.db2.gz HFAHOYDWNGGMMC-IEBWSBKVSA-N 1 0 416.566 2.334 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)NCC(C)C)C3)CC[NH2+]2)c1 ZINC001169251492 1079212413 /nfs/dbraw/zinc/21/24/13/1079212413.db2.gz OPZBVJKAUZTRBM-VQTJNVASSA-N 1 0 416.566 2.116 20 0 HEADRO CCN1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)CC1 ZINC001169253777 1079213191 /nfs/dbraw/zinc/21/31/91/1079213191.db2.gz IHCYHMPMSDQMQY-NEWSRXKRSA-N 1 0 401.584 2.188 20 0 HEADRO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000766643938 1079223315 /nfs/dbraw/zinc/22/33/15/1079223315.db2.gz MVUYRWNJSYDHPS-QRWLVFNGSA-N 1 0 401.482 2.497 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCOC23CN(C(=O)OC(C)(C)C)C3)CO1 ZINC001169312295 1079224867 /nfs/dbraw/zinc/22/48/67/1079224867.db2.gz AGIABKXORMXMNO-ZACQAIPSSA-N 1 0 412.527 2.103 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCCCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000771216838 1079231407 /nfs/dbraw/zinc/23/14/07/1079231407.db2.gz TZBWUVZNXGMJRC-UHFFFAOYSA-N 1 0 411.591 2.101 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[S@](=O)Cc3ccccc3)CC2)CC1 ZINC000771216208 1079231841 /nfs/dbraw/zinc/23/18/41/1079231841.db2.gz JOOMVVDAUOHDCA-LJAQVGFWSA-N 1 0 420.623 2.135 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)CO1 ZINC001169388543 1079258673 /nfs/dbraw/zinc/25/86/73/1079258673.db2.gz ASPZIDWDCOMFOO-TXPKVOOTSA-N 1 0 410.465 2.125 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)CO1 ZINC001169388542 1079258837 /nfs/dbraw/zinc/25/88/37/1079258837.db2.gz ASPZIDWDCOMFOO-JTDSTZFVSA-N 1 0 410.465 2.125 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)CO1 ZINC001169388795 1079259441 /nfs/dbraw/zinc/25/94/41/1079259441.db2.gz QJJPNQCAKPGCKN-MOPGFXCFSA-N 1 0 401.507 2.007 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)CO1 ZINC001169389023 1079259542 /nfs/dbraw/zinc/25/95/42/1079259542.db2.gz BWXZEFZXUGYGAB-YRPNKDGESA-N 1 0 423.579 2.227 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)CO1 ZINC001169390480 1079260129 /nfs/dbraw/zinc/26/01/29/1079260129.db2.gz VQHVVPIQEJVUJS-OZIGNCPNSA-N 1 0 404.507 2.442 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)CO1 ZINC001169391768 1079260930 /nfs/dbraw/zinc/26/09/30/1079260930.db2.gz JYXQQRZQJVSAGI-OITRIXBGSA-N 1 0 401.507 2.139 20 0 HEADRO 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CN1CC[NH+](CCC(C)(C)NC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000771315445 1079281246 /nfs/dbraw/zinc/28/12/46/1079281246.db2.gz JWTHWVYDBVSBLU-UHFFFAOYSA-N 1 0 411.591 2.101 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000771316353 1079282259 /nfs/dbraw/zinc/28/22/59/1079282259.db2.gz MTSJGGSRQJRCRO-DOTOQJQBSA-N 1 0 421.517 2.169 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000771319766 1079284566 /nfs/dbraw/zinc/28/45/66/1079284566.db2.gz LMGPMOADFITAHX-QGZVFWFLSA-N 1 0 411.591 2.101 20 0 HEADRO CC[NH+](CC)Cc1cncc(NCC(=O)NC[C@@H](O)c2cc(OC)ccc2OC)c1 ZINC001169445201 1079295468 /nfs/dbraw/zinc/29/54/68/1079295468.db2.gz PYJQUZAMWNTIME-HXUWFJFHSA-N 1 0 416.522 2.202 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CCN(C(=O)c2cccc(C(=O)OC)c2)CC1 ZINC001169447330 1079297023 /nfs/dbraw/zinc/29/70/23/1079297023.db2.gz UMCHHVIABPYFJP-MRXNPFEDSA-N 1 0 403.523 2.314 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C(=O)OC)cc2)CC1 ZINC001169447638 1079297065 /nfs/dbraw/zinc/29/70/65/1079297065.db2.gz VPLWUNDYGRGFSJ-INIZCTEOSA-N 1 0 403.523 2.314 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)NC1CCC(O)(c2cccnc2)CC1 ZINC000771341101 1079297559 /nfs/dbraw/zinc/29/75/59/1079297559.db2.gz QEZXPUQLCYZDSV-QKWOESADSA-N 1 0 416.566 2.279 20 0 HEADRO C[NH+](C)CCCOC1CCN(C(=O)NC2CCC(O)(c3cccnc3)CC2)CC1 ZINC000771355578 1079302254 /nfs/dbraw/zinc/30/22/54/1079302254.db2.gz DVWWTLFDICLIHH-UHFFFAOYSA-N 1 0 404.555 2.354 20 0 HEADRO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000766725451 1079303253 /nfs/dbraw/zinc/30/32/53/1079303253.db2.gz MIRKMACCJWLFPX-CEXWTWQISA-N 1 0 401.511 2.448 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001169460685 1079306215 /nfs/dbraw/zinc/30/62/15/1079306215.db2.gz ZCQODVSNSQCASZ-CABCVRRESA-N 1 0 401.548 2.458 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCc2ccccc2O)C[C@H]1C(=O)N1CCSC1 ZINC001170025276 1079304727 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CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000742901032 1076894869 /nfs/dbraw/zinc/89/48/69/1076894869.db2.gz ICFQMOJAWGMLLV-LBPRGKRZSA-N 1 0 403.342 2.409 20 0 HEADRO CCc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(C[C@@H]4CCC[N@H+]4CC)C3)CC2)cc1 ZINC000742906322 1076895931 /nfs/dbraw/zinc/89/59/31/1076895931.db2.gz YAVZSGFGUMGXOT-IRLDBZIGSA-N 1 0 412.578 2.230 20 0 HEADRO CCO[C@@H](C)c1nc(CN2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)cs1 ZINC000743007193 1076923358 /nfs/dbraw/zinc/92/33/58/1076923358.db2.gz AAAYIDAQGNJENI-HNNXBMFYSA-N 1 0 411.641 2.327 20 0 HEADRO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=S)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000743009722 1076923962 /nfs/dbraw/zinc/92/39/62/1076923962.db2.gz RFBOLXSUUDYGBB-YOEHRIQHSA-N 1 0 406.552 2.139 20 0 HEADRO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000743009031 1076924479 /nfs/dbraw/zinc/92/44/79/1076924479.db2.gz LRRNKIIEDURTKQ-CQSZACIVSA-N 1 0 408.568 2.242 20 0 HEADRO C[NH+](C)CCNC(=S)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 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HGIGTWBRJDUJMO-WIYYLYMNSA-N 1 0 414.550 2.291 20 0 HEADRO Cc1ccc(N2CC[C@@H](NC(=O)NCC3([NH+]4CCCC4)CCOCC3)C2=O)cc1 ZINC000743622807 1077076707 /nfs/dbraw/zinc/07/67/07/1077076707.db2.gz OMGQFWWOPUCMDA-LJQANCHMSA-N 1 0 400.523 2.045 20 0 HEADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000743593743 1077077746 /nfs/dbraw/zinc/07/77/46/1077077746.db2.gz HEVYTBCCCMHYCQ-STQMWFEESA-N 1 0 422.835 2.295 20 0 HEADRO Cc1cccc(F)c1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000743593629 1077077842 /nfs/dbraw/zinc/07/78/42/1077077842.db2.gz VGYHYNOTLJANHE-UHFFFAOYSA-N 1 0 400.502 2.326 20 0 HEADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000743593742 1077077910 /nfs/dbraw/zinc/07/79/10/1077077910.db2.gz HEVYTBCCCMHYCQ-QWHCGFSZSA-N 1 0 422.835 2.295 20 0 HEADRO C[NH+](C)C1(CNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)Cc2ccccc2C1 ZINC000743634323 1077084295 /nfs/dbraw/zinc/08/42/95/1077084295.db2.gz PTDDEUTUTSNHMJ-UHFFFAOYSA-N 1 0 402.539 2.348 20 0 HEADRO O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743711935 1077094581 /nfs/dbraw/zinc/09/45/81/1077094581.db2.gz GIPBMYOKECXAAO-MBNYPGIVSA-N 1 0 405.564 2.301 20 0 HEADRO O=C(CCNS(=O)(=O)/C=C\c1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743711939 1077094658 /nfs/dbraw/zinc/09/46/58/1077094658.db2.gz GIPBMYOKECXAAO-VZEGMYIASA-N 1 0 405.564 2.301 20 0 HEADRO CC[NH+]1CCN(CCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000743717507 1077095862 /nfs/dbraw/zinc/09/58/62/1077095862.db2.gz GPUCXXVYYHLVPX-IBGZPJMESA-N 1 0 404.555 2.396 20 0 HEADRO C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000743766200 1077119291 /nfs/dbraw/zinc/11/92/91/1077119291.db2.gz UNGRHBRNWMXBMZ-KOSHJBKYSA-N 1 0 405.498 2.255 20 0 HEADRO CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000743766919 1077119960 /nfs/dbraw/zinc/11/99/60/1077119960.db2.gz ZSWFJVMOVDGGGO-JOCHJYFZSA-N 1 0 405.539 2.433 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000743840830 1077133320 /nfs/dbraw/zinc/13/33/20/1077133320.db2.gz KPTGMEVWWYYOPS-OALUTQOASA-N 1 0 406.523 2.322 20 0 HEADRO CC(=O)c1ccc(N2CCN(C(=O)CN(C)CC[C@H]3CCCC[N@@H+]3C)CC2)c(F)c1 ZINC000743855259 1077142908 /nfs/dbraw/zinc/14/29/08/1077142908.db2.gz IPLWRHMRDWNCQH-HXUWFJFHSA-N 1 0 418.557 2.483 20 0 HEADRO C[C@@H](CNC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000743861756 1077147124 /nfs/dbraw/zinc/14/71/24/1077147124.db2.gz OSIMWUBVQYNQHX-SFHVURJKSA-N 1 0 422.595 2.267 20 0 HEADRO CCOC(=O)C1=C(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)NC(=O)N[C@H]1C ZINC000743871576 1077156176 /nfs/dbraw/zinc/15/61/76/1077156176.db2.gz ILEYWVZHIRBMJM-IRXDYDNUSA-N 1 0 400.523 2.101 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000743878057 1077160494 /nfs/dbraw/zinc/16/04/94/1077160494.db2.gz WVIBSMZNBJFAPD-MRXNPFEDSA-N 1 0 416.503 2.371 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 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QJCPEQJRWOCDPL-UHFFFAOYSA-N 1 0 414.506 2.367 20 0 HEADRO COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000743894096 1077205248 /nfs/dbraw/zinc/20/52/48/1077205248.db2.gz IGBJERHASXXPMV-SFHVURJKSA-N 1 0 401.507 2.163 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000743895564 1077206242 /nfs/dbraw/zinc/20/62/42/1077206242.db2.gz QNZCAODPHHBMFW-GOSISDBHSA-N 1 0 424.501 2.179 20 0 HEADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)[NH+]1CCCC1 ZINC000743894956 1077206793 /nfs/dbraw/zinc/20/67/93/1077206793.db2.gz WZOBHJYYPNERCG-IBGZPJMESA-N 1 0 404.580 2.415 20 0 HEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743896179 1077207658 /nfs/dbraw/zinc/20/76/58/1077207658.db2.gz BDTIBMUYVKJLAD-DLBZAZTESA-N 1 0 404.580 2.415 20 0 HEADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)Cc1ccccc1 ZINC000743896853 1077209878 /nfs/dbraw/zinc/20/98/78/1077209878.db2.gz LKLSLBYPQISEID-UHFFFAOYSA-N 1 0 412.559 2.427 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000743906568 1077219142 /nfs/dbraw/zinc/21/91/42/1077219142.db2.gz IVEFVJPOHROHHP-HZPDHXFCSA-N 1 0 402.495 2.269 20 0 HEADRO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000743942513 1077235295 /nfs/dbraw/zinc/23/52/95/1077235295.db2.gz DQKSMFPGJGDULK-GOSISDBHSA-N 1 0 400.479 2.302 20 0 HEADRO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000743942514 1077235320 /nfs/dbraw/zinc/23/53/20/1077235320.db2.gz DQKSMFPGJGDULK-SFHVURJKSA-N 1 0 400.479 2.302 20 0 HEADRO O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000743942107 1077235793 /nfs/dbraw/zinc/23/57/93/1077235793.db2.gz AVRAVZRNYGPQPU-OAQYLSRUSA-N 1 0 419.481 2.455 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000743942805 1077237191 /nfs/dbraw/zinc/23/71/91/1077237191.db2.gz JQLQJXHBCMMYDV-QZTJIDSGSA-N 1 0 416.566 2.477 20 0 HEADRO CC1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000743944793 1077238675 /nfs/dbraw/zinc/23/86/75/1077238675.db2.gz KRZIHLWGFPSNIY-LJQANCHMSA-N 1 0 414.550 2.042 20 0 HEADRO CCCCN(C)c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000743944163 1077238895 /nfs/dbraw/zinc/23/88/95/1077238895.db2.gz HQPLZATZSPTQCB-GOSISDBHSA-N 1 0 402.539 2.042 20 0 HEADRO CCOc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000743945600 1077239133 /nfs/dbraw/zinc/23/91/33/1077239133.db2.gz CBMPUVFVGSLWGQ-MRXNPFEDSA-N 1 0 409.914 2.437 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)Oc1cccc(F)c1 ZINC000743954564 1077261806 /nfs/dbraw/zinc/26/18/06/1077261806.db2.gz LYMBJPANUCEZCP-MRXNPFEDSA-N 1 0 414.481 2.100 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)C2=O)cc1 ZINC000743954259 1077262733 /nfs/dbraw/zinc/26/27/33/1077262733.db2.gz CTLDYBMNVFXTIP-OAQYLSRUSA-N 1 0 422.529 2.349 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2N2CCOC2=O)C1 ZINC000743972510 1077275311 /nfs/dbraw/zinc/27/53/11/1077275311.db2.gz NFUPYUGLCJSCCR-GOSISDBHSA-N 1 0 422.485 2.315 20 0 HEADRO O=C(Nc1ccccc1OCC1CC1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743947532 1077276840 /nfs/dbraw/zinc/27/68/40/1077276840.db2.gz RJTUJOUZKIHOEP-SFHVURJKSA-N 1 0 401.507 2.174 20 0 HEADRO O=C(Nc1ccc(F)cc1OC(F)F)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743948752 1077277388 /nfs/dbraw/zinc/27/73/88/1077277388.db2.gz HOJTWMINUOEQAS-AWEZNQCLSA-N 1 0 415.412 2.125 20 0 HEADRO O=C(Nc1ccnn1C1CCCCC1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743947927 1077278140 /nfs/dbraw/zinc/27/81/40/1077278140.db2.gz WLEDAVYVZUREKU-GOSISDBHSA-N 1 0 403.527 2.086 20 0 HEADRO O=C(Nc1cccc(OC(F)(F)F)c1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743949593 1077278436 /nfs/dbraw/zinc/27/84/36/1077278436.db2.gz PLWQXWIUGWCAAO-INIZCTEOSA-N 1 0 415.412 2.283 20 0 HEADRO O=C(Nc1c(F)c(F)c(F)c(F)c1F)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743949286 1077278458 /nfs/dbraw/zinc/27/84/58/1077278458.db2.gz MSGCPKXGBYGDMC-SNVBAGLBSA-N 1 0 421.366 2.080 20 0 HEADRO CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000743988562 1077281125 /nfs/dbraw/zinc/28/11/25/1077281125.db2.gz HTUVKQKWCCVSLC-ZVBPTUHVSA-N 1 0 401.507 2.392 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)C1 ZINC000743987986 1077281590 /nfs/dbraw/zinc/28/15/90/1077281590.db2.gz CKRWUPGDKKQUHN-SFHVURJKSA-N 1 0 418.538 2.450 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(N3CCOC3=O)ccc2C)C1 ZINC000743989295 1077281996 /nfs/dbraw/zinc/28/19/96/1077281996.db2.gz XZTARKNQYCMTEZ-INIZCTEOSA-N 1 0 402.495 2.080 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)C1 ZINC000743989205 1077282024 /nfs/dbraw/zinc/28/20/24/1077282024.db2.gz WMIDUCUYOROYKQ-LJQANCHMSA-N 1 0 410.518 2.025 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1 ZINC000743990181 1077282622 /nfs/dbraw/zinc/28/26/22/1077282622.db2.gz SHJUVUFBHZBGTC-INIZCTEOSA-N 1 0 402.539 2.344 20 0 HEADRO CCC[C@@H](CCO)CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000743993031 1077284571 /nfs/dbraw/zinc/28/45/71/1077284571.db2.gz HIVXIJDYFLFCFG-INIZCTEOSA-N 1 0 422.545 2.210 20 0 HEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000743995557 1077285194 /nfs/dbraw/zinc/28/51/94/1077285194.db2.gz HWCCTLHQDGCABY-GOSISDBHSA-N 1 0 422.529 2.450 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[C@H](O)c3ccccc3)cc2)CC1 ZINC000743977444 1077290889 /nfs/dbraw/zinc/29/08/89/1077290889.db2.gz IKXHEWSDUMZJFL-NRFANRHFSA-N 1 0 410.518 2.007 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000743979459 1077292995 /nfs/dbraw/zinc/29/29/95/1077292995.db2.gz BPTCINABIZGAGP-HNNXBMFYSA-N 1 0 416.909 2.089 20 0 HEADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000743979181 1077293203 /nfs/dbraw/zinc/29/32/03/1077293203.db2.gz DDTJPSQQGPFYJZ-ZDUSSCGKSA-N 1 0 417.428 2.270 20 0 HEADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1OCc1cccnc1 ZINC000743981799 1077293867 /nfs/dbraw/zinc/29/38/67/1077293867.db2.gz RXXBMOBISMTXDR-INIZCTEOSA-N 1 0 412.490 2.208 20 0 HEADRO CCC(CC)(CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)SC ZINC000743983519 1077295392 /nfs/dbraw/zinc/29/53/92/1077295392.db2.gz GMKHSXAERFEAGK-UHFFFAOYSA-N 1 0 422.551 2.133 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)C1 ZINC000743987772 1077297135 /nfs/dbraw/zinc/29/71/35/1077297135.db2.gz CZPXCQAMOAYVJD-CQSZACIVSA-N 1 0 404.902 2.050 20 0 HEADRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000744113252 1077320390 /nfs/dbraw/zinc/32/03/90/1077320390.db2.gz VAQOGVXNZCEDML-QGZVFWFLSA-N 1 0 406.442 2.263 20 0 HEADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000744098525 1077322685 /nfs/dbraw/zinc/32/26/85/1077322685.db2.gz SBLRMLPZAABBJB-UHFFFAOYSA-N 1 0 405.520 2.268 20 0 HEADRO C[C@@]1(c2ccccc2F)NC(=O)N(CN2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000744131088 1077326689 /nfs/dbraw/zinc/32/66/89/1077326689.db2.gz VAYUBNPRKGSLBJ-QHCPKHFHSA-N 1 0 410.493 2.411 20 0 HEADRO COc1cccc(CN(C)C(=O)C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000744399268 1077372575 /nfs/dbraw/zinc/37/25/75/1077372575.db2.gz HXUULBZNXFSKQO-DEOSSOPVSA-N 1 0 411.546 2.270 20 0 HEADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000744389982 1077373020 /nfs/dbraw/zinc/37/30/20/1077373020.db2.gz AUQFXRAGYOTAMU-RTBURBONSA-N 1 0 416.566 2.479 20 0 HEADRO CCOC(=O)C1=C(CN2CC[C@H](C[NH+](CC)CC)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000744419240 1077378152 /nfs/dbraw/zinc/37/81/52/1077378152.db2.gz HPTACEHSWQYADT-DNVCBOLYSA-N 1 0 404.511 2.114 20 0 HEADRO Cc1ccc(CC[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C[C@@H]2CCCO2)cc1 ZINC000744418875 1077378616 /nfs/dbraw/zinc/37/86/16/1077378616.db2.gz GHWWSGKVGGXHHP-NRFANRHFSA-N 1 0 402.535 2.384 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000744418653 1077378651 /nfs/dbraw/zinc/37/86/51/1077378651.db2.gz CZOVYJGDVPRVJZ-CQSZACIVSA-N 1 0 403.495 2.285 20 0 HEADRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000744408887 1077382846 /nfs/dbraw/zinc/38/28/46/1077382846.db2.gz FQVSVUMOZGOBDN-ONKWYPGXSA-N 1 0 417.575 2.396 20 0 HEADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC3(CCCC3)C2)CC1)Nc1ccc(F)cc1 ZINC000744421784 1077385599 /nfs/dbraw/zinc/38/55/99/1077385599.db2.gz DQQFEJVAWVEMCP-UHFFFAOYSA-N 1 0 402.514 2.175 20 0 HEADRO C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN1CCC(OCC[NH+]3CCCC3)CC1)C2=O ZINC000744439706 1077395103 /nfs/dbraw/zinc/39/51/03/1077395103.db2.gz CIMGLSYBVAUDDM-QZTJIDSGSA-N 1 0 406.571 2.267 20 0 HEADRO CCOc1ccccc1N1C(=O)C(=O)N(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1=O ZINC000744440578 1077395739 /nfs/dbraw/zinc/39/57/39/1077395739.db2.gz PFZXYKKGKHUVQC-SJORKVTESA-N 1 0 414.506 2.285 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)CC1 ZINC000744717794 1077553670 /nfs/dbraw/zinc/55/36/70/1077553670.db2.gz ADYNSBPXPUWGHR-KXBFYZLASA-N 1 0 401.507 2.427 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)CC1 ZINC000744717793 1077553727 /nfs/dbraw/zinc/55/37/27/1077553727.db2.gz ADYNSBPXPUWGHR-HNAYVOBHSA-N 1 0 401.507 2.427 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccccc2S(=O)(=O)C(C)C)CC1 ZINC000744732611 1077560708 /nfs/dbraw/zinc/56/07/08/1077560708.db2.gz BQUNUSQSDJMAIG-UHFFFAOYSA-N 1 0 410.536 2.015 20 0 HEADRO CS(=O)(=O)c1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)ccc1Cl ZINC000744758693 1077571090 /nfs/dbraw/zinc/57/10/90/1077571090.db2.gz FTKKJVPMCIUAEK-UHFFFAOYSA-N 1 0 414.955 2.461 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000744854652 1077621954 /nfs/dbraw/zinc/62/19/54/1077621954.db2.gz MQUKDNHPKDMAHM-UHFFFAOYSA-N 1 0 411.591 2.101 20 0 HEADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000744875293 1077647253 /nfs/dbraw/zinc/64/72/53/1077647253.db2.gz YBGJWODHCGOYPC-LJQANCHMSA-N 1 0 421.630 2.273 20 0 HEADRO COc1ccccc1NCC(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000745011701 1077694124 /nfs/dbraw/zinc/69/41/24/1077694124.db2.gz GCXLRAIHURYODI-PKOBYXMFSA-N 1 0 411.502 2.430 20 0 HEADRO C[C@@H](OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC000744991956 1077697464 /nfs/dbraw/zinc/69/74/64/1077697464.db2.gz UFXSFIXZSQTFGG-JKSUJKDBSA-N 1 0 417.506 2.473 20 0 HEADRO C[C@H](OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)C(=O)N1CCOCC1 ZINC000744993352 1077698080 /nfs/dbraw/zinc/69/80/80/1077698080.db2.gz JQYGTCRPUASMSZ-MSOLQXFVSA-N 1 0 404.507 2.344 20 0 HEADRO CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000744994669 1077698819 /nfs/dbraw/zinc/69/88/19/1077698819.db2.gz XDXGFEFEGDSIOU-HZPDHXFCSA-N 1 0 405.495 2.331 20 0 HEADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001545681332 1077711337 /nfs/dbraw/zinc/71/13/37/1077711337.db2.gz RVCWFTWHJTUUKV-VVLHAWIVSA-N 1 0 415.604 2.118 20 0 HEADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000804265189 1077719415 /nfs/dbraw/zinc/71/94/15/1077719415.db2.gz AZQAZAMQCUMWBI-GOSISDBHSA-N 1 0 424.586 2.083 20 0 HEADRO COc1cc2cc(C(=O)OCC(=O)NC3CC[NH+](C(C)C)CC3)[nH]c2cc1OC ZINC000745058043 1077721875 /nfs/dbraw/zinc/72/18/75/1077721875.db2.gz UIJHWQRUDJLJRY-UHFFFAOYSA-N 1 0 403.479 2.331 20 0 HEADRO CC(C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000745088402 1077725420 /nfs/dbraw/zinc/72/54/20/1077725420.db2.gz NKTWPNJVRSYFHB-SESVDKBCSA-N 1 0 401.551 2.429 20 0 HEADRO CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001006304316 1077770692 /nfs/dbraw/zinc/77/06/92/1077770692.db2.gz PYKXXJDYVDTVER-IVDHNXQLSA-N 1 0 403.567 2.029 20 0 HEADRO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000745267768 1077796262 /nfs/dbraw/zinc/79/62/62/1077796262.db2.gz RTOJZIFRVZHKTN-MRXNPFEDSA-N 1 0 404.511 2.164 20 0 HEADRO Cc1ccc(-c2ocnc2C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000745358959 1077813726 /nfs/dbraw/zinc/81/37/26/1077813726.db2.gz JZMWUSIGZMDTDC-GOSISDBHSA-N 1 0 415.490 2.280 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NCCCSc1ccccc1)CC2 ZINC000771786010 1079505882 /nfs/dbraw/zinc/50/58/82/1079505882.db2.gz SUFBBGWWTBHUHN-UHFFFAOYSA-N 1 0 405.520 2.069 20 0 HEADRO CC[NH+](CC)CCCNC(=O)C1CCN(CC(=O)Nc2cccnc2Cl)CC1 ZINC000771795075 1079511372 /nfs/dbraw/zinc/51/13/72/1079511372.db2.gz OGSCYRRJALDXSP-UHFFFAOYSA-N 1 0 409.962 2.234 20 0 HEADRO C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763658 1079519114 /nfs/dbraw/zinc/51/91/14/1079519114.db2.gz XCOBPWJXLWHTCD-UXHICEINSA-N 1 0 409.534 2.151 20 0 HEADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NCCCOc2ccccc2F)cn1 ZINC000766954494 1079519302 /nfs/dbraw/zinc/51/93/02/1079519302.db2.gz BCIXYAQFRKNSEY-PKOBYXMFSA-N 1 0 404.486 2.032 20 0 HEADRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)cn1 ZINC000766959788 1079524801 /nfs/dbraw/zinc/52/48/01/1079524801.db2.gz JNAXBKVKQSVTJH-QAPCUYQASA-N 1 0 419.913 2.089 20 0 HEADRO CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766961526 1079525020 /nfs/dbraw/zinc/52/50/20/1079525020.db2.gz PGDKZCIARUOBBZ-SFTDATJTSA-N 1 0 400.523 2.161 20 0 HEADRO COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCC[C@H]3C[C@H](O)c3cnn(C)c3)C2=O)c1 ZINC000766961536 1079525220 /nfs/dbraw/zinc/52/52/20/1079525220.db2.gz QTOUKJBFBHQPLV-NDXORKPFSA-N 1 0 414.506 2.131 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(S[C@H]4CCOC4=O)cc3)CC2)c1 ZINC000771833638 1079528227 /nfs/dbraw/zinc/52/82/27/1079528227.db2.gz SINJLQOJEYFHPQ-SFHVURJKSA-N 1 0 413.499 2.460 20 0 HEADRO CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766944857 1079533965 /nfs/dbraw/zinc/53/39/65/1079533965.db2.gz GLYMJCVUPCGGDB-PZJWPPBQSA-N 1 0 400.523 2.236 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)[NH2+][C@H](CCO)C2CC2)ccc1C ZINC000771801955 1079536539 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20 0 HEADRO CCN(CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)OC(C)(C)C ZINC000767944621 1080236899 /nfs/dbraw/zinc/23/68/99/1080236899.db2.gz HQSINMPCVMSKSX-ROUUACIJSA-N 1 0 412.575 2.311 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000767946672 1080237421 /nfs/dbraw/zinc/23/74/21/1080237421.db2.gz WQWVXEILWPPIHU-CEXWTWQISA-N 1 0 424.586 2.453 20 0 HEADRO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000767969526 1080240810 /nfs/dbraw/zinc/24/08/10/1080240810.db2.gz MLEPXRPQCWTTIM-IAGOWNOFSA-N 1 0 421.542 2.090 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(Cn2ccc(Br)n2)CC1 ZINC000767968838 1080241159 /nfs/dbraw/zinc/24/11/59/1080241159.db2.gz CUSDMDXMBNSQJD-UHFFFAOYSA-N 1 0 408.344 2.366 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000785747038 1080249976 /nfs/dbraw/zinc/24/99/76/1080249976.db2.gz JSKYDZRIZVXLGS-QGZVFWFLSA-N 1 0 416.440 2.141 20 0 HEADRO 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/nfs/dbraw/zinc/34/36/00/1080343600.db2.gz FGYNMCCLYCHQMO-QFIPXVFZSA-N 1 0 403.523 2.310 20 0 HEADRO Cc1cccc([C@H](O)CNC(=O)C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000768109680 1080344234 /nfs/dbraw/zinc/34/42/34/1080344234.db2.gz XJTWKOBTAXKOTQ-JOCHJYFZSA-N 1 0 424.545 2.314 20 0 HEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000746493701 1080355992 /nfs/dbraw/zinc/35/59/92/1080355992.db2.gz BVQPYSSGMHFVTL-HNNXBMFYSA-N 1 0 404.580 2.328 20 0 HEADRO Cc1cc(=O)oc2cc(NC(=O)[C@H](CO)[NH2+]C3CC(C)(C)N(O)C(C)(C)C3)ccc12 ZINC001169987886 1080381057 /nfs/dbraw/zinc/38/10/57/1080381057.db2.gz FOXXNALMLLJVBZ-KRWDZBQOSA-N 1 0 417.506 2.401 20 0 HEADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000768169318 1080382088 /nfs/dbraw/zinc/38/20/88/1080382088.db2.gz YQFZAYRJFIZJCT-QWHCGFSZSA-N 1 0 416.305 2.310 20 0 HEADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000768168125 1080382288 /nfs/dbraw/zinc/38/22/88/1080382288.db2.gz TYRRDRRRLHRYGP-MRXNPFEDSA-N 1 0 406.502 2.237 20 0 HEADRO CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)C1 ZINC000768174393 1080386132 /nfs/dbraw/zinc/38/61/32/1080386132.db2.gz PBVLPTMKYDJOCW-GDBMZVCRSA-N 1 0 406.552 2.224 20 0 HEADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000768177611 1080388422 /nfs/dbraw/zinc/38/84/22/1080388422.db2.gz ZYIHZVWRXJDVTG-CYBMUJFWSA-N 1 0 424.427 2.134 20 0 HEADRO O=C(COC(=O)CC1([NH+]2CCOCC2)CCCC1)Nc1cccc2nsnc21 ZINC000786097291 1080393228 /nfs/dbraw/zinc/39/32/28/1080393228.db2.gz SHIRPYXIBBFUHD-UHFFFAOYSA-N 1 0 404.492 2.208 20 0 HEADRO COc1ccc([C@@H](CNC(=O)COC(=O)c2cc(C)ncn2)[NH+]2CCCCC2)cc1 ZINC000786111677 1080404065 /nfs/dbraw/zinc/40/40/65/1080404065.db2.gz BMHVQAUSWFOIGV-HXUWFJFHSA-N 1 0 412.490 2.294 20 0 HEADRO CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)CC1 ZINC000786112273 1080404634 /nfs/dbraw/zinc/40/46/34/1080404634.db2.gz GZCMXTAKYZBXBH-LJQANCHMSA-N 1 0 416.566 2.177 20 0 HEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000768193147 1080408472 /nfs/dbraw/zinc/40/84/72/1080408472.db2.gz WLGUKMZAKFGEGA-GXSJLCMTSA-N 1 0 403.708 2.425 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(O)(c4ccccc4)CC3)cn2)CC1 ZINC000768193489 1080408756 /nfs/dbraw/zinc/40/87/56/1080408756.db2.gz XEGOHZVZDHXMKO-UHFFFAOYSA-N 1 0 409.534 2.027 20 0 HEADRO C[NH+](C)CCc1ccc(CNC(=O)NCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000786116597 1080408761 /nfs/dbraw/zinc/40/87/61/1080408761.db2.gz KPSFKFVHWPLDFG-UHFFFAOYSA-N 1 0 403.548 2.205 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C1 ZINC000746571535 1080410032 /nfs/dbraw/zinc/41/00/32/1080410032.db2.gz XWQOXGWVIMYHFX-INIZCTEOSA-N 1 0 409.914 2.025 20 0 HEADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC000768196115 1080412995 /nfs/dbraw/zinc/41/29/95/1080412995.db2.gz FTPCTELRJNCVEL-OAQYLSRUSA-N 1 0 416.566 2.309 20 0 HEADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768218384 1080422220 /nfs/dbraw/zinc/42/22/20/1080422220.db2.gz SEOHNWQWXRYCGS-INIZCTEOSA-N 1 0 417.616 2.121 20 0 HEADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCCC4(C3)OCCO4)CC2)c1 ZINC000768222537 1080426555 /nfs/dbraw/zinc/42/65/55/1080426555.db2.gz XZHYFZRDIXRPRM-FQEVSTJZSA-N 1 0 416.566 2.492 20 0 HEADRO CC(=O)c1ccc(N2CCN(C(=O)C[NH2+]C(C)(C)C3CCOCC3)CC2)c(F)c1 ZINC000786157883 1080431042 /nfs/dbraw/zinc/43/10/42/1080431042.db2.gz QWRFIUDCNNRKML-UHFFFAOYSA-N 1 0 405.514 2.472 20 0 HEADRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768229403 1080432962 /nfs/dbraw/zinc/43/29/62/1080432962.db2.gz LHJVOBCDJFDBJZ-PPLKHSGQSA-N 1 0 401.507 2.011 20 0 HEADRO C[C@H]1[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCN1C(=O)OC(C)(C)C ZINC000786161006 1080434434 /nfs/dbraw/zinc/43/44/34/1080434434.db2.gz HGSWKWOQLPQOFB-FUHWJXTLSA-N 1 0 417.554 2.095 20 0 HEADRO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1 ZINC000768234810 1080435354 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DIRDZBVCZMJKST-PBHICJAKSA-N 1 0 400.516 2.096 20 0 HEADRO C[C@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000786207337 1080472878 /nfs/dbraw/zinc/47/28/78/1080472878.db2.gz WRPCFJZXANDCHP-HCXYKTFWSA-N 1 0 408.587 2.116 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H](C3)C4=O)CC[C@@H]21 ZINC000768279948 1080481882 /nfs/dbraw/zinc/48/18/82/1080481882.db2.gz UOFRRSIZBRRJOR-YGPBLSMFSA-N 1 0 419.566 2.391 20 0 HEADRO C[N@H+](CCCO)C1CCN(C(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000768322503 1080485130 /nfs/dbraw/zinc/48/51/30/1080485130.db2.gz POISQJMFEZRMEU-UHFFFAOYSA-N 1 0 406.527 2.025 20 0 HEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@]3(O)CCc4ccccc4C3)cc2)CC1 ZINC000786249185 1080489130 /nfs/dbraw/zinc/48/91/30/1080489130.db2.gz SOGVUJBLUNFABK-XMMPIXPASA-N 1 0 409.530 2.171 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000768342959 1080498765 /nfs/dbraw/zinc/49/87/65/1080498765.db2.gz VHKNZCOKZSBSTF-KRWDZBQOSA-N 1 0 403.589 2.427 20 0 HEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000786260829 1080500277 /nfs/dbraw/zinc/50/02/77/1080500277.db2.gz PFMJNLPVMHMQLF-DENIHFKCSA-N 1 0 415.440 2.211 20 0 HEADRO Cc1cccc(C2(O)CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)c1C ZINC000768362479 1080513159 /nfs/dbraw/zinc/51/31/59/1080513159.db2.gz MDRHXNMFEYQNNZ-HXUWFJFHSA-N 1 0 414.594 2.465 20 0 HEADRO C[C@](O)(C1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1)C(F)(F)F ZINC000768366778 1080515499 /nfs/dbraw/zinc/51/54/99/1080515499.db2.gz XVOMLHLKALQZJF-AEFFLSMTSA-N 1 0 407.477 2.365 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(C)CCO[C@H]3C3CC3)cc2)CC1 ZINC000768368905 1080517558 /nfs/dbraw/zinc/51/75/58/1080517558.db2.gz VFWHTTQONNQDQN-NZQKXSOJSA-N 1 0 414.550 2.088 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000768424133 1080545350 /nfs/dbraw/zinc/54/53/50/1080545350.db2.gz OGOUCOGKFXNGRG-IBGZPJMESA-N 1 0 424.586 2.175 20 0 HEADRO COc1cc(C=O)ccc1OCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000768424897 1080545861 /nfs/dbraw/zinc/54/58/61/1080545861.db2.gz IHNKOJCICDCPAK-HXUWFJFHSA-N 1 0 412.486 2.160 20 0 HEADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000768424431 1080546130 /nfs/dbraw/zinc/54/61/30/1080546130.db2.gz QDPBTUREURANNS-KRWDZBQOSA-N 1 0 407.511 2.410 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(CCCOC(C)=O)c2)CC1=O ZINC000768428117 1080548689 /nfs/dbraw/zinc/54/86/89/1080548689.db2.gz IZYPRXKYPAVIPL-CTNGQTDRSA-N 1 0 415.534 2.454 20 0 HEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)Cc2ccccc2C1 ZINC000786340603 1080551744 /nfs/dbraw/zinc/55/17/44/1080551744.db2.gz PMVXXPAZXFKQOE-UHFFFAOYSA-N 1 0 406.408 2.254 20 0 HEADRO Cc1ccc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1N1CCNC1=O ZINC000786340909 1080551809 /nfs/dbraw/zinc/55/18/09/1080551809.db2.gz KHLLKSDMKXJYGY-UHFFFAOYSA-N 1 0 415.538 2.491 20 0 HEADRO CO[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001170056994 1080570778 /nfs/dbraw/zinc/57/07/78/1080570778.db2.gz ULNWCTZTAPWRQD-VQHPVUNQSA-N 1 0 413.584 2.397 20 0 HEADRO CO[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC001170056988 1080570932 /nfs/dbraw/zinc/57/09/32/1080570932.db2.gz ULNWCTZTAPWRQD-HZMVEIRTSA-N 1 0 413.584 2.397 20 0 HEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786394011 1080584170 /nfs/dbraw/zinc/58/41/70/1080584170.db2.gz VRNBLTMXMNUMFS-QGZVFWFLSA-N 1 0 424.586 2.321 20 0 HEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786409642 1080589770 /nfs/dbraw/zinc/58/97/70/1080589770.db2.gz PCRITNXDHXCFMV-KRWDZBQOSA-N 1 0 424.586 2.130 20 0 HEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786412954 1080591176 /nfs/dbraw/zinc/59/11/76/1080591176.db2.gz LRPSTJYADNVUMW-DLBZAZTESA-N 1 0 424.586 2.129 20 0 HEADRO Cc1nc(Cn2nnc(C(=O)OC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2C)no1 ZINC000786420261 1080594273 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O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787270645 1081102400 /nfs/dbraw/zinc/10/24/00/1081102400.db2.gz JXCDTBCZZNQLRQ-HOTGVXAUSA-N 1 0 421.567 2.284 20 0 HEADRO CC1(c2ccnc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)c2)OCCO1 ZINC001170071376 1081103055 /nfs/dbraw/zinc/10/30/55/1081103055.db2.gz RZALYGJYVOUZRE-UHFFFAOYSA-N 1 0 414.487 2.003 20 0 HEADRO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000769549647 1081122044 /nfs/dbraw/zinc/12/20/44/1081122044.db2.gz VNBWIULOBWCGPK-UHFFFAOYSA-N 1 0 405.476 2.384 20 0 HEADRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000769555143 1081123773 /nfs/dbraw/zinc/12/37/73/1081123773.db2.gz UPARCZWRFDBUGV-YJBOKZPZSA-N 1 0 403.523 2.477 20 0 HEADRO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000769555135 1081123967 /nfs/dbraw/zinc/12/39/67/1081123967.db2.gz UPARCZWRFDBUGV-MAUKXSAKSA-N 1 0 403.523 2.477 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 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C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)c(Cl)cn2)[C@H]2CCCO[C@H]12 ZINC001164805539 721532085 /nfs/dbraw/zinc/53/20/85/721532085.db2.gz MEXPQTVFIOUMAR-SCTDSRPQSA-N 1 0 401.898 2.097 20 0 HEADRO O=C1CCC(=O)N1Cc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164903068 721544553 /nfs/dbraw/zinc/54/45/53/721544553.db2.gz BYSJUXFENQPXRN-UYAOXDASSA-N 1 0 424.476 2.212 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164809912 721558983 /nfs/dbraw/zinc/55/89/83/721558983.db2.gz YAMJWKVVTAGDLV-VWPQPMDRSA-N 1 0 407.518 2.237 20 0 HEADRO O=C1CSc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2N1 ZINC001164911433 721566483 /nfs/dbraw/zinc/56/64/83/721566483.db2.gz ZEDRCEZQBHSBKS-ZFWWWQNUSA-N 1 0 401.467 2.002 20 0 HEADRO COCCN1C[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1=O ZINC001164901568 721573341 /nfs/dbraw/zinc/57/33/41/721573341.db2.gz GDAYHYOHCMKXFN-RTWAWAEBSA-N 1 0 406.530 2.181 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)nc1 ZINC001164801462 721596633 /nfs/dbraw/zinc/59/66/33/721596633.db2.gz RGOGCSHTHWIVLF-MXEMCNAFSA-N 1 0 414.550 2.224 20 0 HEADRO CCOC(=O)/C=C/c1ccc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1 ZINC001165009596 721741664 /nfs/dbraw/zinc/74/16/64/721741664.db2.gz GNDWXRFSQGGYSF-VQHVLOKHSA-N 1 0 400.523 2.181 20 0 HEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3C(N)=O)C[C@H]21 ZINC001165022103 721805797 /nfs/dbraw/zinc/80/57/97/721805797.db2.gz HYLVGGKYOXGFNR-KBRIMQKVSA-N 1 0 400.914 2.361 20 0 HEADRO C[C@@H]1C(=O)Nc2cnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2N1C ZINC001165028268 721813676 /nfs/dbraw/zinc/81/36/76/721813676.db2.gz WZBJMZCRZMTCGV-HNAWSFBYSA-N 1 0 421.549 2.385 20 0 HEADRO CNS(=O)(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026426 721817669 /nfs/dbraw/zinc/81/76/69/721817669.db2.gz PZTSYRKTLIZCFM-WDSOQIARSA-N 1 0 415.563 2.122 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(CCOC)CCO[C@H]3C2)nc1 ZINC001164922090 721844779 /nfs/dbraw/zinc/84/47/79/721844779.db2.gz QIDHFERSFKIZKI-NJYVYQBISA-N 1 0 416.566 2.329 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(CCOC)CCO[C@@H]3C2)nc1 ZINC001164922091 721844932 /nfs/dbraw/zinc/84/49/32/721844932.db2.gz QIDHFERSFKIZKI-PWRODBHTSA-N 1 0 416.566 2.329 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)cc(N2CCCC2)n1 ZINC001164929021 721853356 /nfs/dbraw/zinc/85/33/56/721853356.db2.gz PWQLPELROANMDX-LSDHHAIUSA-N 1 0 414.932 2.490 20 0 HEADRO Cc1cc2nc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)nc(N3CCOCC3)c2s1 ZINC001164921896 721869816 /nfs/dbraw/zinc/86/98/16/721869816.db2.gz DNDLPPRHGIEMHF-QZTJIDSGSA-N 1 0 416.595 2.051 20 0 HEADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001164926348 721875776 /nfs/dbraw/zinc/87/57/76/721875776.db2.gz RQRQQOQHEBOREW-GJZGRUSLSA-N 1 0 402.873 2.281 20 0 HEADRO COc1ccc(CN(C)c2ccnc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164933014 721886547 /nfs/dbraw/zinc/88/65/47/721886547.db2.gz KUZQQMRQXZGLAA-LEWJYISDSA-N 1 0 410.566 2.336 20 0 HEADRO COCCOc1cc2ncnc(N3CCC(C[NH+](C)C)CC3)c2cc1OCCOC ZINC001165042171 721943500 /nfs/dbraw/zinc/94/35/00/721943500.db2.gz IMLLEVLKRACQJG-UHFFFAOYSA-N 1 0 418.538 2.458 20 0 HEADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967539 722071997 /nfs/dbraw/zinc/07/19/97/722071997.db2.gz OUHJWDDJRDKZGO-GASCZTMLSA-N 1 0 402.882 2.369 20 0 HEADRO Cc1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C(N)=O ZINC001164985157 722102084 /nfs/dbraw/zinc/10/20/84/722102084.db2.gz VCGDMYBUDGHHQU-IRXDYDNUSA-N 1 0 415.925 2.265 20 0 HEADRO Cc1nc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2[nH]1 ZINC001164978246 722109170 /nfs/dbraw/zinc/10/91/70/722109170.db2.gz OAMRASXJOREFNI-JKSUJKDBSA-N 1 0 413.913 2.437 20 0 HEADRO CCOC(=O)c1c(C)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973894 722120873 /nfs/dbraw/zinc/12/08/73/722120873.db2.gz HWHBYPBHTPTAHQ-MOPGFXCFSA-N 1 0 411.506 2.084 20 0 HEADRO O=C(NC1CC1)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164982010 722123473 /nfs/dbraw/zinc/12/34/73/722123473.db2.gz VPZMTIPEMSQMGB-TZIWHRDSSA-N 1 0 407.518 2.096 20 0 HEADRO F[C@H](Oc1cncc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971061 722152584 /nfs/dbraw/zinc/15/25/84/722152584.db2.gz AGQTYJPGPUHWSX-BXWFABGCSA-N 1 0 407.877 2.380 20 0 HEADRO CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164989385 722189037 /nfs/dbraw/zinc/18/90/37/722189037.db2.gz DCDCETQHOBYBGU-UHFFFAOYSA-N 1 0 402.926 2.321 20 0 HEADRO NC(=O)[C@H]1CCCN1c1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncn1 ZINC001164996959 722211007 /nfs/dbraw/zinc/21/10/07/722211007.db2.gz PFSKMAQABXDRNP-AUSIDOKSSA-N 1 0 424.524 2.315 20 0 HEADRO COC(=O)c1cc(Cl)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165000466 722251343 /nfs/dbraw/zinc/25/13/43/722251343.db2.gz PYCYACYSXNKOHL-UHFFFAOYSA-N 1 0 407.902 2.207 20 0 HEADRO C=Cc1nc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1OC ZINC001165002892 722256040 /nfs/dbraw/zinc/25/60/40/722256040.db2.gz WHEJGGYGWFVYGJ-UHFFFAOYSA-N 1 0 406.918 2.467 20 0 HEADRO C[C@H]1CCCN(c2cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ncn2)C1 ZINC001165003734 722257379 /nfs/dbraw/zinc/25/73/79/722257379.db2.gz GVAWANJTTXURHH-SFHVURJKSA-N 1 0 413.570 2.398 20 0 HEADRO C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)c(Br)s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000745435888 1078477776 /nfs/dbraw/zinc/47/77/76/1078477776.db2.gz SISPXFYLNVXPCZ-ZJUUUORDSA-N 1 0 424.386 2.008 20 0 HEADRO CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)C2)nc1 ZINC000766331401 1078492328 /nfs/dbraw/zinc/49/23/28/1078492328.db2.gz LWIHTXJDZVEXQF-IRXDYDNUSA-N 1 0 404.511 2.482 20 0 HEADRO O=S(=O)(Cc1ccc(Cl)nc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000769671365 1078511329 /nfs/dbraw/zinc/51/13/29/1078511329.db2.gz CRNRFDWACWFAER-ROUUACIJSA-N 1 0 409.939 2.037 20 0 HEADRO COCC[N@@H+]1CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)CC1 ZINC000769728642 1078518034 /nfs/dbraw/zinc/51/80/34/1078518034.db2.gz PGQIJAGSNGCOME-UHFFFAOYSA-N 1 0 419.400 2.297 20 0 HEADRO CC1(C)CCC[N@H+](CCNC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)C1 ZINC000769707366 1078529436 /nfs/dbraw/zinc/52/94/36/1078529436.db2.gz HSDJRIHPBGOSFI-UHFFFAOYSA-N 1 0 415.506 2.257 20 0 HEADRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)C1 ZINC000769708811 1078531160 /nfs/dbraw/zinc/53/11/60/1078531160.db2.gz YVMIAAQOQGFBFU-UHFFFAOYSA-N 1 0 424.386 2.010 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1 ZINC000745517334 1078534834 /nfs/dbraw/zinc/53/48/34/1078534834.db2.gz UMQYZTCBWBVLTF-UHFFFAOYSA-N 1 0 424.567 2.202 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)N/C=C1/c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000769726849 1078538172 /nfs/dbraw/zinc/53/81/72/1078538172.db2.gz QBMPJGXDSFMKNJ-QUWSGOTNSA-N 1 0 419.529 2.225 20 0 HEADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000769756281 1078541836 /nfs/dbraw/zinc/54/18/36/1078541836.db2.gz LQPFIMLNGHOJPO-BEFAXECRSA-N 1 0 411.543 2.411 20 0 HEADRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000769755912 1078541857 /nfs/dbraw/zinc/54/18/57/1078541857.db2.gz LJEATSPKUPEGKP-RTBURBONSA-N 1 0 409.552 2.143 20 0 HEADRO CCCn1c(CO)nnc1SCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000769791272 1078567294 /nfs/dbraw/zinc/56/72/94/1078567294.db2.gz GCUIZIRJYGGTQR-UHFFFAOYSA-N 1 0 418.567 2.053 20 0 HEADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000769830575 1078592272 /nfs/dbraw/zinc/59/22/72/1078592272.db2.gz RLSQDHAHPABFFI-MJGOQNOKSA-N 1 0 414.531 2.088 20 0 HEADRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 ZINC000769842926 1078604286 /nfs/dbraw/zinc/60/42/86/1078604286.db2.gz RDMLLPSQPJZXQN-UHFFFAOYSA-N 1 0 406.527 2.497 20 0 HEADRO CCC[C@]1(CO)CCC[N@@H+]1CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C ZINC000769914086 1078632703 /nfs/dbraw/zinc/63/27/03/1078632703.db2.gz VFOFWUKQBWFDET-DENIHFKCSA-N 1 0 401.507 2.437 20 0 HEADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCC2(C1)OCCO2 ZINC000745809313 1078656366 /nfs/dbraw/zinc/65/63/66/1078656366.db2.gz JCKRPGVKYFLSSN-UHFFFAOYSA-N 1 0 408.930 2.011 20 0 HEADRO CCC(CC)(CNC(=O)NCC1([NH+](C)C)CCOCC1)NC(=O)OC(C)(C)C ZINC000745822173 1078664304 /nfs/dbraw/zinc/66/43/04/1078664304.db2.gz YEXJHLOEHMWPGJ-UHFFFAOYSA-N 1 0 400.564 2.480 20 0 HEADRO CN(CCC1CC[NH+](CC(=O)N(C)Cc2cnn(C)c2)CC1)C(=O)OC(C)(C)C ZINC000769939492 1078665320 /nfs/dbraw/zinc/66/53/20/1078665320.db2.gz CYPQYVLEBBALEX-UHFFFAOYSA-N 1 0 407.559 2.348 20 0 HEADRO 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 ZINC000770009852 1078667013 /nfs/dbraw/zinc/66/70/13/1078667013.db2.gz KIWHQIAGDCTMMU-QAJFTPDKSA-N 1 0 424.904 2.187 20 0 HEADRO COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000769983161 1078673264 /nfs/dbraw/zinc/67/32/64/1078673264.db2.gz LAIYAZDCJLCWEU-NRFANRHFSA-N 1 0 411.502 2.122 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000769987726 1078674901 /nfs/dbraw/zinc/67/49/01/1078674901.db2.gz HMLSUDMYJQIZKQ-QUCCMNQESA-N 1 0 415.538 2.016 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000769987725 1078674950 /nfs/dbraw/zinc/67/49/50/1078674950.db2.gz HMLSUDMYJQIZKQ-ICSRJNTNSA-N 1 0 415.538 2.016 20 0 HEADRO C[C@H](CNC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1)C[NH+]1CCN(C)CC1 ZINC000745861207 1078676523 /nfs/dbraw/zinc/67/65/23/1078676523.db2.gz AMYLJNDSNKAKCJ-DYESRHJHSA-N 1 0 406.546 2.164 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000745861760 1078677709 /nfs/dbraw/zinc/67/77/09/1078677709.db2.gz PDDSNMZGSMJPJQ-YOEHRIQHSA-N 1 0 400.926 2.085 20 0 HEADRO O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000770034871 1078698700 /nfs/dbraw/zinc/69/87/00/1078698700.db2.gz CWDNANMZYRHVPM-XMMPIXPASA-N 1 0 407.514 2.214 20 0 HEADRO O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000770034867 1078698789 /nfs/dbraw/zinc/69/87/89/1078698789.db2.gz CWDNANMZYRHVPM-DEOSSOPVSA-N 1 0 407.514 2.214 20 0 HEADRO CCOC(=O)c1n[nH]c(C2CC[NH+](CCC(=O)Nc3ccc(N(C)C)cc3)CC2)n1 ZINC000770038375 1078699801 /nfs/dbraw/zinc/69/98/01/1078699801.db2.gz MLIIZCDEYJVHMW-UHFFFAOYSA-N 1 0 414.510 2.256 20 0 HEADRO CC(C)(C)OC(=O)NC(C)(C)CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000745928498 1078700183 /nfs/dbraw/zinc/70/01/83/1078700183.db2.gz ODUQUUFKDAIJPW-JOCHJYFZSA-N 1 0 420.554 2.226 20 0 HEADRO CCOC(=O)C1=C(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)NC(=O)N[C@H]1c1ccco1 ZINC000745988548 1078720675 /nfs/dbraw/zinc/72/06/75/1078720675.db2.gz AVHPSSAONSSJGP-GUXCAODWSA-N 1 0 416.522 2.398 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000770104644 1078726508 /nfs/dbraw/zinc/72/65/08/1078726508.db2.gz YOAXJDUYQCZVMC-WOJBJXKFSA-N 1 0 403.523 2.118 20 0 HEADRO CCOC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000746011847 1078731249 /nfs/dbraw/zinc/73/12/49/1078731249.db2.gz PLBDTRFNVKCSJO-LJQANCHMSA-N 1 0 403.523 2.128 20 0 HEADRO CON(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000746024201 1078741974 /nfs/dbraw/zinc/74/19/74/1078741974.db2.gz QOGWIMFZFPULNV-SJORKVTESA-N 1 0 410.540 2.348 20 0 HEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1 ZINC000746046129 1078756585 /nfs/dbraw/zinc/75/65/85/1078756585.db2.gz UVPGBFXXWCDFFQ-CQSZACIVSA-N 1 0 410.971 2.290 20 0 HEADRO CCC1(CNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CCOCC1 ZINC000746045481 1078754759 /nfs/dbraw/zinc/75/47/59/1078754759.db2.gz KVRIUOFBGIIVTO-UHFFFAOYSA-N 1 0 416.566 2.479 20 0 HEADRO CCC[C@@H]1CN(C(=O)c2nccn3c(Br)cnc23)CC[N@@H+]1CCOC ZINC000770156183 1078757011 /nfs/dbraw/zinc/75/70/11/1078757011.db2.gz HKBOASCKDFVGMP-CYBMUJFWSA-N 1 0 410.316 2.065 20 0 HEADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746045196 1078755522 /nfs/dbraw/zinc/75/55/22/1078755522.db2.gz HUSJHIBJLODYIV-AUUYWEPGSA-N 1 0 408.520 2.338 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000770173112 1078769237 /nfs/dbraw/zinc/76/92/37/1078769237.db2.gz LFAURKYKIJHYAZ-CTNGQTDRSA-N 1 0 416.566 2.320 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)nc2)CC1 ZINC000770228707 1078776148 /nfs/dbraw/zinc/77/61/48/1078776148.db2.gz DQFGXIVTISHWGV-LJQANCHMSA-N 1 0 423.517 2.431 20 0 HEADRO COc1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)ccc1NC(=O)OC(C)(C)C ZINC000746131693 1078800817 /nfs/dbraw/zinc/80/08/17/1078800817.db2.gz RUWGUDPHYFKRCY-AWEZNQCLSA-N 1 0 420.510 2.391 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[C@H]3CCCC[C@H]3O)cc2)CC1 ZINC000770288548 1078809298 /nfs/dbraw/zinc/80/92/98/1078809298.db2.gz AZTZCAJKYZKZPA-WIYYLYMNSA-N 1 0 416.566 2.215 20 0 HEADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)c3csc4cncn43)CC2)CC1 ZINC000746175520 1078810710 /nfs/dbraw/zinc/81/07/10/1078810710.db2.gz ZAGRSVUOSIDLMP-UHFFFAOYSA-N 1 0 403.552 2.191 20 0 HEADRO Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001626110911 1078811540 /nfs/dbraw/zinc/81/15/40/1078811540.db2.gz GCKVRPAGBDLJDI-AWEZNQCLSA-N 1 0 401.941 2.390 20 0 HEADRO C[C@H](CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000746162097 1078813222 /nfs/dbraw/zinc/81/32/22/1078813222.db2.gz WKKXWFWRUMLJDR-MJGOQNOKSA-N 1 0 404.555 2.395 20 0 HEADRO O=C(Oc1ccccc1)N1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000746201015 1078816913 /nfs/dbraw/zinc/81/69/13/1078816913.db2.gz HNXGTQQALWDKCV-XMMPIXPASA-N 1 0 423.513 2.357 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000770290816 1078817107 /nfs/dbraw/zinc/81/71/07/1078817107.db2.gz BGSDFDNDAFNEFP-CQSZACIVSA-N 1 0 411.522 2.493 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170013862 1078826199 /nfs/dbraw/zinc/82/61/99/1078826199.db2.gz LPKUSFAHYOJIQO-DICRZQGBSA-N 1 0 413.584 2.181 20 0 HEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000746191531 1078820783 /nfs/dbraw/zinc/82/07/83/1078820783.db2.gz IXRSVDVCVXEZMA-CQSZACIVSA-N 1 0 401.960 2.346 20 0 HEADRO Cc1nn(C)c(C)c1C[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013804 1078822876 /nfs/dbraw/zinc/82/28/76/1078822876.db2.gz KFEYFEHKLVSQQM-RDJZCZTQSA-N 1 0 423.583 2.037 20 0 HEADRO O=C(CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)OCc1ccccc1Cl ZINC000746259860 1078826921 /nfs/dbraw/zinc/82/69/21/1078826921.db2.gz JYMBJXWZPJKNTH-NRFANRHFSA-N 1 0 402.878 2.136 20 0 HEADRO CN(C[C@@H]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC000746220357 1078825172 /nfs/dbraw/zinc/82/51/72/1078825172.db2.gz IXTISPOJTYTUDL-CVDCTZTESA-N 1 0 417.550 2.339 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000746220586 1078825278 /nfs/dbraw/zinc/82/52/78/1078825278.db2.gz WZDPBVAEPHUZHM-VAMGGRTRSA-N 1 0 417.550 2.215 20 0 HEADRO 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 ZINC000746252076 1078832398 /nfs/dbraw/zinc/83/23/98/1078832398.db2.gz BJUDFJVETRAQMF-JZXOWHBKSA-N 1 0 424.586 2.032 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000746286076 1078836051 /nfs/dbraw/zinc/83/60/51/1078836051.db2.gz PMZNPJWYEYHKRP-UHFFFAOYSA-N 1 0 411.506 2.131 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)C1 ZINC000746275807 1078841335 /nfs/dbraw/zinc/84/13/35/1078841335.db2.gz RWQIHBOUNXJMGI-QKQONQEDSA-N 1 0 407.580 2.451 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCc2nccs2)C[C@H]1C(=O)N1CCSC1 ZINC001170014383 1078841865 /nfs/dbraw/zinc/84/18/65/1078841865.db2.gz PBSSMAGVFNJLEN-KBPBESRZSA-N 1 0 412.581 2.186 20 0 HEADRO COc1cccc(/C=C(\C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n2nnnc2C)c1 ZINC000746296376 1078845646 /nfs/dbraw/zinc/84/56/46/1078845646.db2.gz KUXPBUKJVMIAMJ-WDFHVHJUSA-N 1 0 422.533 2.464 20 0 HEADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000746297433 1078845946 /nfs/dbraw/zinc/84/59/46/1078845946.db2.gz XNIUZSHOCXDYBJ-AUUYWEPGSA-N 1 0 409.527 2.213 20 0 HEADRO COCCOc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000770418381 1078846208 /nfs/dbraw/zinc/84/62/08/1078846208.db2.gz LPNUUEMQYIMVOC-UHFFFAOYSA-N 1 0 410.898 2.265 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)C2=O)cc1 ZINC000746298606 1078846357 /nfs/dbraw/zinc/84/63/57/1078846357.db2.gz HAYXXJOBQHUOHD-QFIPXVFZSA-N 1 0 406.530 2.278 20 0 HEADRO C[C@@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000746302095 1078847414 /nfs/dbraw/zinc/84/74/14/1078847414.db2.gz INXPPBIWXJGJKT-VGSWGCGISA-N 1 0 403.523 2.091 20 0 HEADRO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000770386247 1078849317 /nfs/dbraw/zinc/84/93/17/1078849317.db2.gz MDRWWLVXFUDBIA-WBVHZDCISA-N 1 0 407.559 2.300 20 0 HEADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CNC(=O)OCC(F)(F)F)cc1 ZINC000770443003 1078855864 /nfs/dbraw/zinc/85/58/64/1078855864.db2.gz KKLKUISTVKPHEX-OAHLLOKOSA-N 1 0 403.401 2.237 20 0 HEADRO Cc1c(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cccc1N1CCOC1=O ZINC000746330760 1078861505 /nfs/dbraw/zinc/86/15/05/1078861505.db2.gz YXCAOUPKCFUCBH-UHFFFAOYSA-N 1 0 409.490 2.497 20 0 HEADRO CC(C)CN1N=C(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CCC1=O ZINC000766345888 1078875908 /nfs/dbraw/zinc/87/59/08/1078875908.db2.gz FRHDIGFROAHGFS-OAQYLSRUSA-N 1 0 413.566 2.116 20 0 HEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)C1 ZINC000746345692 1078868077 /nfs/dbraw/zinc/86/80/77/1078868077.db2.gz UYKIQSVSVFSRFM-OAHLLOKOSA-N 1 0 409.527 2.070 20 0 HEADRO CN(CCCOc1ccc(Cl)cc1)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000746373522 1078881175 /nfs/dbraw/zinc/88/11/75/1078881175.db2.gz UPLIAICCBSJYEQ-INIZCTEOSA-N 1 0 404.898 2.350 20 0 HEADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccnn1CC1CC1 ZINC000746379697 1078884605 /nfs/dbraw/zinc/88/46/05/1078884605.db2.gz QPMFWXYCDZENDM-UHFFFAOYSA-N 1 0 403.914 2.475 20 0 HEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)/C=C\c2ccccc2OC(F)(F)F)CC1 ZINC000766345743 1078875975 /nfs/dbraw/zinc/87/59/75/1078875975.db2.gz WCTMUTRXZQXFEA-HLRDLLSLSA-N 1 0 411.424 2.363 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000770588615 1078899244 /nfs/dbraw/zinc/89/92/44/1078899244.db2.gz BWNWOQJZKFKLSH-DYVFJYSZSA-N 1 0 403.354 2.352 20 0 HEADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000746394224 1078894085 /nfs/dbraw/zinc/89/40/85/1078894085.db2.gz ITZVPDFJZNCRRE-MRXNPFEDSA-N 1 0 410.609 2.297 20 0 HEADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CCO1 ZINC000770623614 1078920562 /nfs/dbraw/zinc/92/05/62/1078920562.db2.gz VRDAKYOCSFXEPW-CRAIPNDOSA-N 1 0 410.559 2.184 20 0 HEADRO CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000770626208 1078920809 /nfs/dbraw/zinc/92/08/09/1078920809.db2.gz RPDXAGRYJNVGOV-IFMALSPDSA-N 1 0 419.566 2.490 20 0 HEADRO COCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766362809 1078924912 /nfs/dbraw/zinc/92/49/12/1078924912.db2.gz PSKGAFOXDRGUOG-LJQANCHMSA-N 1 0 403.523 2.262 20 0 HEADRO C[NH+](C)CCn1cc(NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)ccc1=O ZINC000770676135 1078929420 /nfs/dbraw/zinc/92/94/20/1078929420.db2.gz SMZSHYZYRMXRKS-SFHVURJKSA-N 1 0 412.490 2.007 20 0 HEADRO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000770686230 1078935463 /nfs/dbraw/zinc/93/54/63/1078935463.db2.gz VCCYQKINQXZDDY-KRWDZBQOSA-N 1 0 405.564 2.448 20 0 HEADRO CC(C)[N@@H+](Cc1ccc(NC(=O)NN2CC(=O)NC2=O)cc1)C[C@H]1CCCCO1 ZINC000770652291 1078939148 /nfs/dbraw/zinc/93/91/48/1078939148.db2.gz BBQBQJJXIDPKEY-QGZVFWFLSA-N 1 0 403.483 2.054 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2C[C@@H](NC(=O)c3cccnc3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001168782600 1078939732 /nfs/dbraw/zinc/93/97/32/1078939732.db2.gz SAEGJUFBMIFXLN-RVGPUVIUSA-N 1 0 401.507 2.165 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccccn3)C2)CC1 ZINC001168782590 1078939752 /nfs/dbraw/zinc/93/97/52/1078939752.db2.gz RLCWJHXWCOCARQ-PVHVISOTSA-N 1 0 415.534 2.301 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770721304 1078948549 /nfs/dbraw/zinc/94/85/49/1078948549.db2.gz JAVNQGZUMSDMEH-FQEVSTJZSA-N 1 0 416.566 2.177 20 0 HEADRO Cn1ncc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1C1CC1 ZINC000770730310 1078955544 /nfs/dbraw/zinc/95/55/44/1078955544.db2.gz HKBPWEOUMRPZDG-UHFFFAOYSA-N 1 0 403.914 2.480 20 0 HEADRO C[C@H]1C[N@H+](CCCNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CCCO1 ZINC000770731287 1078956581 /nfs/dbraw/zinc/95/65/81/1078956581.db2.gz DYQUUPKYVPUSLO-ICSRJNTNSA-N 1 0 403.523 2.262 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CCCOC1 ZINC000770692614 1078961626 /nfs/dbraw/zinc/96/16/26/1078961626.db2.gz PBKRSQYPVHBIQF-FZKQIMNGSA-N 1 0 418.412 2.464 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)NCc2ccc(F)cc2C(F)(F)F)CCCOC1 ZINC000770697925 1078966041 /nfs/dbraw/zinc/96/60/41/1078966041.db2.gz KYLCZRVHSQBCQX-QGZVFWFLSA-N 1 0 406.376 2.163 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)CCCOC1 ZINC000770699919 1078967807 /nfs/dbraw/zinc/96/78/07/1078967807.db2.gz OWTLGVXCCNAWAF-UGSOOPFHSA-N 1 0 413.312 2.328 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)CCCOC1 ZINC000770703213 1078970728 /nfs/dbraw/zinc/97/07/28/1078970728.db2.gz XKQYBGABSRQTDP-SFHVURJKSA-N 1 0 403.306 2.354 20 0 HEADRO COC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](C2CCC(C)(C(=O)OC)CC2)C1 ZINC001168787334 1078973666 /nfs/dbraw/zinc/97/36/66/1078973666.db2.gz HBACOFWWSGZDAG-KFSGXOHOSA-N 1 0 412.527 2.497 20 0 HEADRO O=C(Nc1c(F)cccc1-n1cccn1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000746451883 1078977338 /nfs/dbraw/zinc/97/73/38/1078977338.db2.gz JEOZYVVFYGANKR-CRAIPNDOSA-N 1 0 411.481 2.425 20 0 HEADRO COC(=O)C1(C)CCC(N2CCn3c(CN4CC[NH+](C)CC4)cnc3[C@@H]2C)CC1 ZINC001168788966 1078979446 /nfs/dbraw/zinc/97/94/46/1078979446.db2.gz GZLNTLVSWWGBAJ-LYGNXSNRSA-N 1 0 403.571 2.129 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccnn2Cc2ccccc2Cl)CCCOC1 ZINC000770712218 1078979780 /nfs/dbraw/zinc/97/97/80/1078979780.db2.gz XIOOXELDWQGYRV-FQEVSTJZSA-N 1 0 420.897 2.225 20 0 HEADRO CC[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@H](C)c1cccc(O)c1 ZINC000746453360 1078982414 /nfs/dbraw/zinc/98/24/14/1078982414.db2.gz INSHKLCEFGYBBM-OAHLLOKOSA-N 1 0 402.495 2.451 20 0 HEADRO COCCOc1ccc(-n2nc(C)c(C(=O)NCC3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000770766891 1078986649 /nfs/dbraw/zinc/98/66/49/1078986649.db2.gz LNISHWOOYTYVFR-UHFFFAOYSA-N 1 0 413.522 2.205 20 0 HEADRO Cc1cc(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n(C2CCOCC2)n1 ZINC001168791155 1078989380 /nfs/dbraw/zinc/98/93/80/1078989380.db2.gz DMQCUXXTZQODBR-QHCPKHFHSA-N 1 0 412.534 2.252 20 0 HEADRO COC(=O)C1(C)CCC([NH+]2CCC3(CC2)CN(Cc2cccnc2)C(=O)CO3)CC1 ZINC001168791665 1078994610 /nfs/dbraw/zinc/99/46/10/1078994610.db2.gz ZYFAQFFDXHFYEL-UHFFFAOYSA-N 1 0 415.534 2.397 20 0 HEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cc2nnc[nH]2)cc1 ZINC001168791761 1078995258 /nfs/dbraw/zinc/99/52/58/1078995258.db2.gz MUROKMUNPZRSAU-QHCPKHFHSA-N 1 0 405.502 2.105 20 0 HEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC001168791964 1078995640 /nfs/dbraw/zinc/99/56/40/1078995640.db2.gz OYWVGVAGOGNWHJ-WIOPSUGQSA-N 1 0 424.541 2.492 20 0 HEADRO C[NH+](C)C1(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CCC1 ZINC000766457420 1079010828 /nfs/dbraw/zinc/01/08/28/1079010828.db2.gz JIIOVTWRDVDYEN-UHFFFAOYSA-N 1 0 423.355 2.016 20 0 HEADRO Cc1ccc(NC(=O)C(=O)Nc2cnn(C)c2C2CC2)cc1NC(=O)CC[NH+](C)C ZINC000770779748 1079011336 /nfs/dbraw/zinc/01/13/36/1079011336.db2.gz NKJAWLJLDHNSQF-UHFFFAOYSA-N 1 0 412.494 2.073 20 0 HEADRO CN(C)C(=O)c1ccc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)[nH]1 ZINC000766488205 1079026633 /nfs/dbraw/zinc/02/66/33/1079026633.db2.gz JYIMPOQMFRTQDX-UHFFFAOYSA-N 1 0 419.425 2.179 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000770804864 1079026843 /nfs/dbraw/zinc/02/68/43/1079026843.db2.gz YNQBTRORBDYJOF-APWZRJJASA-N 1 0 416.522 2.204 20 0 HEADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000766476346 1079032690 /nfs/dbraw/zinc/03/26/90/1079032690.db2.gz WLUCWSMYOBYWMK-KRWDZBQOSA-N 1 0 424.586 2.130 20 0 HEADRO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766488540 1079028701 /nfs/dbraw/zinc/02/87/01/1079028701.db2.gz LAHRGZDKFSIZEC-LSDHHAIUSA-N 1 0 411.549 2.089 20 0 HEADRO CCOC(=O)[C@@H]1N=CO[C@H]1c1c(Cl)cc(Cl)nc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168816082 1079036959 /nfs/dbraw/zinc/03/69/59/1079036959.db2.gz MSNLNWSPUIVVQI-GTTSAUCSSA-N 1 0 424.288 2.421 20 0 HEADRO C[C@@H]1C[C@H](NC2(C(N)=O)CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168822091 1079046066 /nfs/dbraw/zinc/04/60/66/1079046066.db2.gz HIRMGYSCNXOJGC-MJGOQNOKSA-N 1 0 416.566 2.494 20 0 HEADRO C[C@H]1C[C@@H](NC2(C(N)=O)CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168822092 1079046117 /nfs/dbraw/zinc/04/61/17/1079046117.db2.gz HIRMGYSCNXOJGC-PKOBYXMFSA-N 1 0 416.566 2.494 20 0 HEADRO COC(=O)[C@H](CC[NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001168829671 1079047969 /nfs/dbraw/zinc/04/79/69/1079047969.db2.gz OMKDAPIWFOZOIB-ILXRZTDVSA-N 1 0 415.531 2.430 20 0 HEADRO C[C@H]1C[C@@H]([N@@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168857903 1079054409 /nfs/dbraw/zinc/05/44/09/1079054409.db2.gz OHCHTDGDAOJWKM-NJNPRVFISA-N 1 0 417.554 2.403 20 0 HEADRO 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 1079056858 /nfs/dbraw/zinc/05/68/58/1079056858.db2.gz AMYCHELKSFRXBU-IWSXDTNSSA-N 1 0 420.510 2.034 20 0 HEADRO C[C@H]1C[C@@H](n2nc(C(=O)N3CCCC3)c3c2CC[NH2+]C3)CN1C(=O)OC(C)(C)C ZINC001168849808 1079060999 /nfs/dbraw/zinc/06/09/99/1079060999.db2.gz LKGHDBTWARBKAO-LSDHHAIUSA-N 1 0 403.527 2.335 20 0 HEADRO COC(=O)[C@H](O)[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)c1ccccc1 ZINC001168892727 1079062932 /nfs/dbraw/zinc/06/29/32/1079062932.db2.gz MMYMSOFGGZIGSQ-YUXAGFNASA-N 1 0 412.486 2.051 20 0 HEADRO CC(C)([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C(=O)NCC1CCCCC1 ZINC001168874080 1079065407 /nfs/dbraw/zinc/06/54/07/1079065407.db2.gz RTBOWBULVAFLGE-SFHVURJKSA-N 1 0 417.550 2.376 20 0 HEADRO COc1ccc(CN2CCc3c2ncnc3-n2nnc(-c3cccc(C[NH3+])c3)n2)cc1 ZINC001168878124 1079066244 /nfs/dbraw/zinc/06/62/44/1079066244.db2.gz ORBURIPOWRNFDB-UHFFFAOYSA-N 1 0 414.473 2.149 20 0 HEADRO CCOC(=O)C1(N[C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC[NH+](CC)CC1 ZINC001168910133 1079073145 /nfs/dbraw/zinc/07/31/45/1079073145.db2.gz RGIMJQWFLGYGQM-LJQANCHMSA-N 1 0 417.550 2.193 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCN(C(=O)c4cccnc4)C3)CC2=O)cc1 ZINC001168913494 1079074284 /nfs/dbraw/zinc/07/42/84/1079074284.db2.gz GWTZWQPGRARSBY-WOJBJXKFSA-N 1 0 408.502 2.086 20 0 HEADRO C[NH+]1C[C@]2(C)CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@@]2(C)C1 ZINC001168932392 1079077624 /nfs/dbraw/zinc/07/76/24/1079077624.db2.gz UHFWHHBQHKOWMR-ATZDWAIDSA-N 1 0 411.593 2.092 20 0 HEADRO 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 1079077685 /nfs/dbraw/zinc/07/76/85/1079077685.db2.gz SKEWEHOKFUGMSM-ULNWEMDVSA-N 1 0 401.551 2.153 20 0 HEADRO CC(C)(C)OC(=O)N1CCc2c(C[NH+]3CCC4(CC3)NC(=O)NC4=O)cccc2C1 ZINC001168934426 1079078825 /nfs/dbraw/zinc/07/88/25/1079078825.db2.gz XAJGMIVRBCMWAE-UHFFFAOYSA-N 1 0 414.506 2.154 20 0 HEADRO CCOC(=O)c1cc(-n2nnc(-c3cccc(C[NH3+])c3)n2)ncc1Br ZINC001168883018 1079067919 /nfs/dbraw/zinc/06/79/19/1079067919.db2.gz DVPGBXURMYFNSG-UHFFFAOYSA-N 1 0 403.240 2.122 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3C[C@@H](OCC4CC4)[C@H]4COC[C@H]43)CC2=O)cc1 ZINC001168943701 1079081816 /nfs/dbraw/zinc/08/18/16/1079081816.db2.gz ZQHWJQPJEYHTBV-VXSCBNMQSA-N 1 0 400.519 2.312 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCC(C)(N4CCOCC4)CC3)CC2=O)cc1 ZINC001168944322 1079082393 /nfs/dbraw/zinc/08/23/93/1079082393.db2.gz LRYUXMFHQJBKJY-FQEVSTJZSA-N 1 0 401.551 2.373 20 0 HEADRO O=C(NCCNS(=O)(=O)Cc1ccccc1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000746125115 1079084878 /nfs/dbraw/zinc/08/48/78/1079084878.db2.gz LUMFCXZROHUBAM-UHFFFAOYSA-N 1 0 410.499 2.097 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCC(NC(=O)c4ccncc4)CC3)CC2=O)cc1 ZINC001168952497 1079085670 /nfs/dbraw/zinc/08/56/70/1079085670.db2.gz FCSMLSVIUHVQHN-NRFANRHFSA-N 1 0 422.529 2.476 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CCC[C@H](NC(=O)NC(C)C)C3)CC2=O)cc1 ZINC001168953679 1079086152 /nfs/dbraw/zinc/08/61/52/1079086152.db2.gz LHIMSYAGSDDVRG-OALUTQOASA-N 1 0 402.539 2.358 20 0 HEADRO COc1ccccc1-n1c(C)nnc1SCC(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001168929717 1079088212 /nfs/dbraw/zinc/08/82/12/1079088212.db2.gz KDLUUOQKFDQQNL-OYRHEFFESA-N 1 0 415.563 2.477 20 0 HEADRO Cc1c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)nnn1CCOc1ccc(F)cc1 ZINC001168931364 1079088958 /nfs/dbraw/zinc/08/89/58/1079088958.db2.gz RBPOGYJIWAOGFL-SFTDATJTSA-N 1 0 401.486 2.218 20 0 HEADRO COc1ccc(CN2CC[C@@H](N(c3ncc(F)cn3)C3CC[NH2+]CC3)CC2=O)cc1 ZINC001168956606 1079090696 /nfs/dbraw/zinc/09/06/96/1079090696.db2.gz WAXUXQLTGZLDEJ-LJQANCHMSA-N 1 0 413.497 2.374 20 0 HEADRO COC[C@@H]1CCCC[N@H+](C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1 ZINC001169006119 1079098111 /nfs/dbraw/zinc/09/81/11/1079098111.db2.gz YYJOVCLKCLHXQR-IEBWSBKVSA-N 1 0 417.506 2.147 20 0 HEADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000771003130 1079100940 /nfs/dbraw/zinc/10/09/40/1079100940.db2.gz BBSNNUJSHIALOJ-KRWDZBQOSA-N 1 0 403.548 2.382 20 0 HEADRO C[NH+](C)CC1(O)CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC001169040555 1079107923 /nfs/dbraw/zinc/10/79/23/1079107923.db2.gz FOMGASDDVIGMAW-UHFFFAOYSA-N 1 0 407.312 2.368 20 0 HEADRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC001169043061 1079109189 /nfs/dbraw/zinc/10/91/89/1079109189.db2.gz CTBZSNJATSXFMY-APWZRJJASA-N 1 0 404.511 2.360 20 0 HEADRO CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000766580082 1079120559 /nfs/dbraw/zinc/12/05/59/1079120559.db2.gz AGUJFOITVTZMRH-MJGOQNOKSA-N 1 0 416.522 2.202 20 0 HEADRO CC(C)(C)OC(=O)NCC[N@H+](CCO)C[C@H](O)COc1ccccc1C(F)(F)F ZINC001169077972 1079131512 /nfs/dbraw/zinc/13/15/12/1079131512.db2.gz DFHYMMLVFOUJSG-AWEZNQCLSA-N 1 0 422.444 2.264 20 0 HEADRO CSc1ccc([C@H](O)[C@H](CO)Nc2nc(C)cc(OC3CC[NH2+]CC3)n2)cc1 ZINC001169088214 1079137695 /nfs/dbraw/zinc/13/76/95/1079137695.db2.gz QBPCWWNXMDTNCS-HKUYNNGSSA-N 1 0 404.536 2.144 20 0 HEADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cc(=O)[nH]c(C3CCC3)n2)[C@@H](c2cnn(C)c2)C1 ZINC001169084516 1079133555 /nfs/dbraw/zinc/13/35/55/1079133555.db2.gz NGWQNICYDBSCHM-RBUKOAKNSA-N 1 0 412.538 2.314 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(-n4cnc5ccccc54)nc3)CC[C@H]21 ZINC000766586669 1079139277 /nfs/dbraw/zinc/13/92/77/1079139277.db2.gz UGKVOTZZHWOGJQ-QFBILLFUSA-N 1 0 418.501 2.302 20 0 HEADRO CO[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170021358 1079141004 /nfs/dbraw/zinc/14/10/04/1079141004.db2.gz CIXJNRVPUTUJTN-QAETUUGQSA-N 1 0 413.584 2.445 20 0 HEADRO CC1CC[NH+](CCNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771115298 1079160113 /nfs/dbraw/zinc/16/01/13/1079160113.db2.gz QMNZJJLARHAABX-FQEVSTJZSA-N 1 0 424.904 2.094 20 0 HEADRO [NH3+]Cc1ccc2nnn(-c3cc(N4CCN(c5ccc(F)cc5)CC4)ncn3)c2c1 ZINC001170022670 1079163686 /nfs/dbraw/zinc/16/36/86/1079163686.db2.gz WURQQABEYPGJSU-UHFFFAOYSA-N 1 0 404.453 2.135 20 0 HEADRO 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 1079167423 /nfs/dbraw/zinc/16/74/23/1079167423.db2.gz WDXXRYLQUIXTTA-YYDVJCTNSA-N 1 0 417.550 2.446 20 0 HEADRO C[NH+](C)CC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771115875 1079159530 /nfs/dbraw/zinc/15/95/30/1079159530.db2.gz FUKCETJUBLXLTI-FQEVSTJZSA-N 1 0 424.904 2.046 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc2c(ccn2C)c1 ZINC001169164907 1079172852 /nfs/dbraw/zinc/17/28/52/1079172852.db2.gz XDCGQKDFRSWQDU-MRXNPFEDSA-N 1 0 422.533 2.274 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cc(C[NH3+])c2ccccc21 ZINC001169165377 1079173385 /nfs/dbraw/zinc/17/33/85/1079173385.db2.gz ZWNIQJNACADADI-HNNXBMFYSA-N 1 0 408.506 2.279 20 0 HEADRO Cc1ccc2c(c1)C[N@H+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169190653 1079178980 /nfs/dbraw/zinc/17/89/80/1079178980.db2.gz IWXKPSBEPDMNON-KRWDZBQOSA-N 1 0 409.534 2.359 20 0 HEADRO Cc1cnccc1[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC001169190755 1079179236 /nfs/dbraw/zinc/17/92/36/1079179236.db2.gz KJVAKRAUAAJOSN-LPHOPBHVSA-N 1 0 424.549 2.437 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(C(F)(F)F)CC1 ZINC001169192002 1079180385 /nfs/dbraw/zinc/18/03/85/1079180385.db2.gz OTOGSICAOILIGV-ZDUSSCGKSA-N 1 0 415.460 2.267 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCCc2cnccc21 ZINC001169194243 1079181640 /nfs/dbraw/zinc/18/16/40/1079181640.db2.gz XHWQOTHJAUIWKJ-QAPCUYQASA-N 1 0 410.522 2.055 20 0 HEADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000746377689 1079181629 /nfs/dbraw/zinc/18/16/29/1079181629.db2.gz COUHKVRJILSENY-RBBKRZOGSA-N 1 0 423.561 2.139 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cncc2ccccc21 ZINC001169197255 1079182316 /nfs/dbraw/zinc/18/23/16/1079182316.db2.gz UOVSZMUSNWFVEW-MRXNPFEDSA-N 1 0 420.517 2.331 20 0 HEADRO Cc1csc([C@@H](C)[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC001169170330 1079185399 /nfs/dbraw/zinc/18/53/99/1079185399.db2.gz UXWMFOHQGVYNGX-GXTWGEPZSA-N 1 0 404.540 2.108 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc2ccccc2n1 ZINC001169169493 1079185454 /nfs/dbraw/zinc/18/54/54/1079185454.db2.gz QFNJNTZZBXPTBC-MRXNPFEDSA-N 1 0 420.517 2.331 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1ccc(Cl)cc1 ZINC001169170544 1079186069 /nfs/dbraw/zinc/18/60/69/1079186069.db2.gz XODAHLYNZJQSRC-HNNXBMFYSA-N 1 0 417.941 2.478 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC001169170648 1079186126 /nfs/dbraw/zinc/18/61/26/1079186126.db2.gz ZIJMDAJIDQFHBX-HZPDHXFCSA-N 1 0 415.513 2.352 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCc2ccccc2C1 ZINC001169172634 1079187327 /nfs/dbraw/zinc/18/73/27/1079187327.db2.gz RPKXWZIJUUTZNR-QFBILLFUSA-N 1 0 409.534 2.140 20 0 HEADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 ZINC001169175255 1079189290 /nfs/dbraw/zinc/18/92/90/1079189290.db2.gz CBTOYOGLXZXDGD-XGHQBKJUSA-N 1 0 406.527 2.422 20 0 HEADRO COC1CCC(CC[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169181524 1079193802 /nfs/dbraw/zinc/19/38/02/1079193802.db2.gz QPEPMKBSULDRED-AOCRQIFASA-N 1 0 419.570 2.177 20 0 HEADRO CC(C)c1ncc(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)s1 ZINC001169181583 1079193873 /nfs/dbraw/zinc/19/38/73/1079193873.db2.gz RZAVWXGYASWVDC-AWEZNQCLSA-N 1 0 418.567 2.362 20 0 HEADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CC[NH+](C(C)C)CC3)C2=O)c(C)c1 ZINC000771146947 1079193849 /nfs/dbraw/zinc/19/38/49/1079193849.db2.gz DNVHIMSYUODWGO-QFIPXVFZSA-N 1 0 400.523 2.059 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1c(CC[NH3+])cc2ccccc21 ZINC001169182417 1079194361 /nfs/dbraw/zinc/19/43/61/1079194361.db2.gz YSWGMCPDXIWNBK-INIZCTEOSA-N 1 0 422.533 2.321 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1ccc(F)cc1F ZINC001169182341 1079194543 /nfs/dbraw/zinc/19/45/43/1079194543.db2.gz XXENWHMGRDBSJJ-CQSZACIVSA-N 1 0 419.476 2.103 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CCc1ccc(F)cc1 ZINC001169207637 1079195513 /nfs/dbraw/zinc/19/55/13/1079195513.db2.gz LCJGXNIRRNEMGP-INIZCTEOSA-N 1 0 415.513 2.306 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]1c1nccs1 ZINC001169207657 1079195729 /nfs/dbraw/zinc/19/57/29/1079195729.db2.gz LEXKFUQPSHDLPC-LSDHHAIUSA-N 1 0 416.551 2.286 20 0 HEADRO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C(C)(C)C1 ZINC000766622277 1079199626 /nfs/dbraw/zinc/19/96/26/1079199626.db2.gz FNFHPBHOBQVYSG-QHCPKHFHSA-N 1 0 408.502 2.159 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000766642724 1079205425 /nfs/dbraw/zinc/20/54/25/1079205425.db2.gz BQFKMQLZJWILCD-PCCBWWKXSA-N 1 0 415.534 2.093 20 0 HEADRO 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CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+][C@@]2(CO)CCOc3ccccc32)CC1 ZINC001169699204 1079379389 /nfs/dbraw/zinc/37/93/89/1079379389.db2.gz XMCCMBHETSODFR-PGRDOPGGSA-N 1 0 406.523 2.254 20 0 HEADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+][C@@]2(CO)CCOc3ccccc32)CC1 ZINC001169699206 1079379542 /nfs/dbraw/zinc/37/95/42/1079379542.db2.gz XMCCMBHETSODFR-XMSQKQJNSA-N 1 0 406.523 2.254 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000771583975 1079381110 /nfs/dbraw/zinc/38/11/10/1079381110.db2.gz XRKJYDHWQDBYSA-SLOMDMAXSA-N 1 0 409.486 2.420 20 0 HEADRO O=C(/C=C\c1ccc(I)o1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771583644 1079381168 /nfs/dbraw/zinc/38/11/68/1079381168.db2.gz ZRAHCYIOQPFBBS-LSYFEZSPSA-N 1 0 416.259 2.267 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2Cn3nnc(-c4cccnc4)c3CO2)C1 ZINC001169719903 1079384264 /nfs/dbraw/zinc/38/42/64/1079384264.db2.gz DIGIGQFSEKFGRK-WOJBJXKFSA-N 1 0 418.501 2.133 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H](CO)[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169745567 1079386843 /nfs/dbraw/zinc/38/68/43/1079386843.db2.gz METOJBRIDANWPC-CEXWTWQISA-N 1 0 403.523 2.109 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)[C@H](O)C1 ZINC001169733602 1079391035 /nfs/dbraw/zinc/39/10/35/1079391035.db2.gz WRYITYSQCALXDR-SLFFLAALSA-N 1 0 417.550 2.499 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@](CO)([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169735389 1079392235 /nfs/dbraw/zinc/39/22/35/1079392235.db2.gz JCNMHSCOZQRQQM-PGRDOPGGSA-N 1 0 403.523 2.253 20 0 HEADRO CCOC(=O)Nc1ccc(F)c(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC001129346691 1079430003 /nfs/dbraw/zinc/43/00/03/1079430003.db2.gz UEHUNUCONWFNBN-UHFFFAOYSA-N 1 0 408.474 2.116 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000771663601 1079433572 /nfs/dbraw/zinc/43/35/72/1079433572.db2.gz QLGPMIHIYPFAIY-UHFFFAOYSA-N 1 0 408.543 2.450 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)COCCNC(=O)OC(C)(C)C)c2)CC1 ZINC000771635799 1079443530 /nfs/dbraw/zinc/44/35/30/1079443530.db2.gz HCIOLCPTPWWHBA-UHFFFAOYSA-N 1 0 406.527 2.308 20 0 HEADRO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000766858962 1079444706 /nfs/dbraw/zinc/44/47/06/1079444706.db2.gz PNQOMTMSKQESTJ-UZLBHIALSA-N 1 0 415.513 2.284 20 0 HEADRO CS(=O)(=O)C1CCC([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CC1 ZINC001169881980 1079456399 /nfs/dbraw/zinc/45/63/99/1079456399.db2.gz ZUXVOCJQPWLVHC-HKEJHHQYSA-N 1 0 420.575 2.396 20 0 HEADRO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(C3CCC(S(C)(=O)=O)CC3)CC2)C1 ZINC001169884111 1079457635 /nfs/dbraw/zinc/45/76/35/1079457635.db2.gz XFYOZUAWMCFXMX-MUYFXNHWSA-N 1 0 400.585 2.082 20 0 HEADRO CN(C(=O)[C@H]1CC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 ZINC001169872509 1079465084 /nfs/dbraw/zinc/46/50/84/1079465084.db2.gz KQMGOWNFPVYVTR-HTAPYJJXSA-N 1 0 403.523 2.343 20 0 HEADRO 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1075901399 /nfs/dbraw/zinc/90/13/99/1075901399.db2.gz TXMQVMHDIHALSV-KRWDZBQOSA-N 1 0 422.957 2.232 20 0 HEADRO Cc1ncccc1NC(=O)[C@H]1COC[C@H]2C[N@@H+]([C@@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169945026 1079487621 /nfs/dbraw/zinc/48/76/21/1079487621.db2.gz HKOQFTNAXCCFSE-MKXGPGLRSA-N 1 0 401.507 2.209 20 0 HEADRO CN1[C@H]2CC[N@@H+]([C@H]3CCCC4(C3)OCCO4)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169946174 1079488883 /nfs/dbraw/zinc/48/88/83/1079488883.db2.gz WSEDLTWEWJRUNT-BZSNNMDCSA-N 1 0 422.547 2.218 20 0 HEADRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H]3CCCC4(C3)OCCO4)C[C@@H]12 ZINC001169947966 1079489717 /nfs/dbraw/zinc/48/97/17/1079489717.db2.gz HNBCXTNKPPBGCO-NJYVYQBISA-N 1 0 420.575 2.350 20 0 HEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737849564 1075931530 /nfs/dbraw/zinc/93/15/30/1075931530.db2.gz YOIPITWGBNTUKA-RTWAWAEBSA-N 1 0 410.518 2.016 20 0 HEADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnn(-c2ccc(F)cc2)n1 ZINC000737856077 1075932505 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FEDVQXDVYUYAKT-RDTXWAMCSA-N 1 0 414.428 2.336 20 0 HEADRO C[NH+](C)[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000738144579 1075963266 /nfs/dbraw/zinc/96/32/66/1075963266.db2.gz QKOMLJAWAKUWOJ-FZKQIMNGSA-N 1 0 409.328 2.200 20 0 HEADRO CNC(=O)c1nn(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(=O)c2ccccc21 ZINC000738107170 1075964233 /nfs/dbraw/zinc/96/42/33/1075964233.db2.gz JXXFAYPXEWGHMF-ROUUACIJSA-N 1 0 411.550 2.300 20 0 HEADRO Cc1nn(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(=S)n1CC(=O)N(C)C ZINC000738108904 1075964331 /nfs/dbraw/zinc/96/43/31/1075964331.db2.gz TZQCIYFPNAXTFU-SJLPKXTDSA-N 1 0 408.616 2.355 20 0 HEADRO Cc1ccc(-c2nc(=S)n(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)[nH]2)cc1 ZINC000738157319 1075970369 /nfs/dbraw/zinc/97/03/69/1075970369.db2.gz VQVJJDQKMIBEHX-UHFFFAOYSA-N 1 0 400.552 2.114 20 0 HEADRO Cc1ccc(/C=C/c2nc(=S)n(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)[nH]2)o1 ZINC000738161227 1075970820 /nfs/dbraw/zinc/97/08/20/1075970820.db2.gz OYNRHNQOYMZAKU-VOTSOKGWSA-N 1 0 416.551 2.210 20 0 HEADRO Cc1nc2nc(=S)n(CN3CCN(C[C@H]4CCCC[N@H+]4C)CC3)n2c(C)c1C ZINC000738170988 1075972308 /nfs/dbraw/zinc/97/23/08/1075972308.db2.gz SMYWUQHMPUPRKT-GOSISDBHSA-N 1 0 403.600 2.245 20 0 HEADRO CCOC(=O)c1cn(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nc1C(F)(F)F ZINC000738169243 1075972550 /nfs/dbraw/zinc/97/25/50/1075972550.db2.gz GRMKVOFBCAURAZ-OAHLLOKOSA-N 1 0 417.476 2.138 20 0 HEADRO Cn1c(=S)n(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nc1-c1cccnc1 ZINC000738171017 1075973020 /nfs/dbraw/zinc/97/30/20/1075973020.db2.gz NHAPRZGWOBZGAZ-SFHVURJKSA-N 1 0 401.584 2.072 20 0 HEADRO C[N@@H+]1CCC[C@@H](N2CCN(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)C1 ZINC000738211869 1075973923 /nfs/dbraw/zinc/97/39/23/1075973923.db2.gz GGJDMGRJRFDTFN-CYBMUJFWSA-N 1 0 411.333 2.259 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(Cn2nc(N3CCCCC3)n(C[C@@H]3CCCO3)c2=S)C1 ZINC000738225694 1075976047 /nfs/dbraw/zinc/97/60/47/1075976047.db2.gz BLWQVYDANAYDCS-ROUUACIJSA-N 1 0 408.616 2.424 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000738226263 1075976086 /nfs/dbraw/zinc/97/60/86/1075976086.db2.gz GDDUYILMZCMPIW-SCLBCKFNSA-N 1 0 409.328 2.057 20 0 HEADRO CC(C)Cn1c(CCC(N)=O)nn(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1=S ZINC000738265622 1075977373 /nfs/dbraw/zinc/97/73/73/1075977373.db2.gz IVBZJVHBMSSJDY-KRWDZBQOSA-N 1 0 408.616 2.396 20 0 HEADRO COc1ccc(C[C@]2(C)NC(=O)N(CN3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000738270078 1075977715 /nfs/dbraw/zinc/97/77/15/1075977715.db2.gz ITAAZXYOZMOJND-XXBNENTESA-N 1 0 414.550 2.456 20 0 HEADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000738299261 1075986048 /nfs/dbraw/zinc/98/60/48/1075986048.db2.gz KMIYSLUXIKBRGH-INIZCTEOSA-N 1 0 411.506 2.341 20 0 HEADRO CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000738316795 1075988365 /nfs/dbraw/zinc/98/83/65/1075988365.db2.gz GRWYLBUJOPMBRQ-LJQANCHMSA-N 1 0 416.566 2.198 20 0 HEADRO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000738317110 1075988504 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VQSOYSQNEINZNG-CABCVRRESA-N 1 0 403.479 2.045 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](C[C@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000771780043 1079501797 /nfs/dbraw/zinc/50/17/97/1079501797.db2.gz JUDBEDAFCLZJRS-CQSZACIVSA-N 1 0 400.397 2.393 20 0 HEADRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000771780056 1079502153 /nfs/dbraw/zinc/50/21/53/1079502153.db2.gz QASSJZBMLMFHJF-INIZCTEOSA-N 1 0 405.520 2.368 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000766913505 1079503641 /nfs/dbraw/zinc/50/36/41/1079503641.db2.gz YBBVRMMNNRNEQT-UHFFFAOYSA-N 1 0 423.602 2.199 20 0 HEADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)c(OCC[NH+](C)C)c1 ZINC000739083586 1076030740 /nfs/dbraw/zinc/03/07/40/1076030740.db2.gz DETXWAJNZPDUMF-MGPUTAFESA-N 1 0 417.481 2.251 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000739066922 1076036181 /nfs/dbraw/zinc/03/61/81/1076036181.db2.gz JLOYIGYPANCYHS-UTKZUKDTSA-N 1 0 416.566 2.477 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCc3cccc(O)c3)cc2)CC1 ZINC000739079362 1076038810 /nfs/dbraw/zinc/03/88/10/1076038810.db2.gz GROBXBZYQYXEMM-UHFFFAOYSA-N 1 0 410.518 2.425 20 0 HEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)C1 ZINC000739080756 1076039041 /nfs/dbraw/zinc/03/90/41/1076039041.db2.gz MBZCQSPSVILYHZ-MSOLQXFVSA-N 1 0 416.566 2.477 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC[C@H](O)CC(C)(C)C)cc2)CC1 ZINC000739089308 1076042998 /nfs/dbraw/zinc/04/29/98/1076042998.db2.gz PMTDHKSVIMHNGX-HXUWFJFHSA-N 1 0 418.582 2.316 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cc2)CCO1 ZINC000739117848 1076045465 /nfs/dbraw/zinc/04/54/65/1076045465.db2.gz FQTSOZCLZZLVFY-QUCCMNQESA-N 1 0 414.550 2.327 20 0 HEADRO C[C@H]1CSCCN1C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739118765 1076046046 /nfs/dbraw/zinc/04/60/46/1076046046.db2.gz ATFGJHNRHUZAAD-INIZCTEOSA-N 1 0 404.580 2.367 20 0 HEADRO O=C(Nc1ccccc1N1CCOC1=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000739119192 1076046161 /nfs/dbraw/zinc/04/61/61/1076046161.db2.gz KNLHVYHGTDTYJQ-MRXNPFEDSA-N 1 0 400.479 2.059 20 0 HEADRO O=C(Nc1ccc(N2CCOC2=O)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000739120758 1076046640 /nfs/dbraw/zinc/04/66/40/1076046640.db2.gz SOVDGTHQSDVXTO-KRWDZBQOSA-N 1 0 400.479 2.059 20 0 HEADRO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000739120246 1076046934 /nfs/dbraw/zinc/04/69/34/1076046934.db2.gz QSEAHQXYZQLNRJ-INIZCTEOSA-N 1 0 420.941 2.457 20 0 HEADRO COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=S)NC1CC[NH+](C)CC1 ZINC000739437135 1076062134 /nfs/dbraw/zinc/06/21/34/1076062134.db2.gz JMPLLDKQFFSQGM-UHFFFAOYSA-N 1 0 414.597 2.153 20 0 HEADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739696516 1076072974 /nfs/dbraw/zinc/07/29/74/1076072974.db2.gz JARGOQKHBUHZMD-IAGOWNOFSA-N 1 0 411.543 2.071 20 0 HEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000739788594 1076075191 /nfs/dbraw/zinc/07/51/91/1076075191.db2.gz QGZJLXNQSQTQKK-CYBMUJFWSA-N 1 0 415.353 2.411 20 0 HEADRO COCCOc1ccc(-n2nc(C)c(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000739786901 1076075290 /nfs/dbraw/zinc/07/52/90/1076075290.db2.gz YWDGTHDRPJTSDR-GOSISDBHSA-N 1 0 413.522 2.159 20 0 HEADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000739787576 1076082027 /nfs/dbraw/zinc/08/20/27/1076082027.db2.gz HVSPAKXLRFHIRE-INIZCTEOSA-N 1 0 411.543 2.413 20 0 HEADRO CN(C1CCOCC1)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739964098 1076088934 /nfs/dbraw/zinc/08/89/34/1076088934.db2.gz SGISDWASPOHWHW-INIZCTEOSA-N 1 0 421.485 2.225 20 0 HEADRO O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000739926175 1076093456 /nfs/dbraw/zinc/09/34/56/1076093456.db2.gz JAJIHYCPKXBUCH-AWEZNQCLSA-N 1 0 401.479 2.039 20 0 HEADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000740058005 1076099738 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TVJZRKUSOPIEFH-HXUWFJFHSA-N 1 0 419.572 2.259 20 0 HEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000740756553 1076227308 /nfs/dbraw/zinc/22/73/08/1076227308.db2.gz KGABJGMNZSZEQX-QGZVFWFLSA-N 1 0 420.535 2.240 20 0 HEADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000740804118 1076243986 /nfs/dbraw/zinc/24/39/86/1076243986.db2.gz ZDCGQLUDHLKMFU-AVRDEDQJSA-N 1 0 419.529 2.230 20 0 HEADRO CC[NH+]1CCC(N(C)CC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000740874404 1076277355 /nfs/dbraw/zinc/27/73/55/1076277355.db2.gz JITKYBZKZAPRLF-FQEVSTJZSA-N 1 0 400.523 2.226 20 0 HEADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCOc2ccc3c(C)cc(=O)oc3c2)C1 ZINC000740875842 1076278444 /nfs/dbraw/zinc/27/84/44/1076278444.db2.gz HHDYLFCKQYLLDV-IAGOWNOFSA-N 1 0 402.491 2.343 20 0 HEADRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740882907 1076283989 /nfs/dbraw/zinc/28/39/89/1076283989.db2.gz NXQJCHFLQUACQD-RHSMWYFYSA-N 1 0 404.511 2.349 20 0 HEADRO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1CCCS(=O)(=O)NC ZINC000740887592 1076286018 /nfs/dbraw/zinc/28/60/18/1076286018.db2.gz WLUHGRYTSQUYQL-MOPGFXCFSA-N 1 0 411.568 2.437 20 0 HEADRO CC[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740886889 1076286171 /nfs/dbraw/zinc/28/61/71/1076286171.db2.gz FWPMRFYEQLRBPB-RTBURBONSA-N 1 0 416.522 2.440 20 0 HEADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H](O)c1c(F)cccc1F ZINC000740908014 1076287985 /nfs/dbraw/zinc/28/79/85/1076287985.db2.gz SJPHBOASOUCVDE-HXUWFJFHSA-N 1 0 418.488 2.115 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@H](O)c2ccccc2Cl)CC1 ZINC000740910703 1076288563 /nfs/dbraw/zinc/28/85/63/1076288563.db2.gz TXMFZEMDCHYVMF-SFHVURJKSA-N 1 0 403.914 2.020 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)C[C@H]1C ZINC000740893698 1076293285 /nfs/dbraw/zinc/29/32/85/1076293285.db2.gz BAONENQNNSWIRA-SJLPKXTDSA-N 1 0 409.552 2.142 20 0 HEADRO COc1cc(C[NH2+][C@H](CCO)c2cccs2)ccc1OCC(=O)N1CCOCC1 ZINC000740900442 1076296327 /nfs/dbraw/zinc/29/63/27/1076296327.db2.gz PONCVCCCFIABHJ-QGZVFWFLSA-N 1 0 420.531 2.208 20 0 HEADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)C[C@H](C)O1 ZINC000740905117 1076298516 /nfs/dbraw/zinc/29/85/16/1076298516.db2.gz YVFPOGQACLTVOA-BDXSIMOUSA-N 1 0 412.575 2.430 20 0 HEADRO C[C@H](OC(=O)[C@@H](O)CCc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000741007882 1076326392 /nfs/dbraw/zinc/32/63/92/1076326392.db2.gz XNGTYVNTTAKSSL-NYVOZVTQSA-N 1 0 410.514 2.303 20 0 HEADRO CCCCn1c2nc(COC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)n(C)c2c(=O)[nH]c1=O ZINC000741010299 1076327666 /nfs/dbraw/zinc/32/76/66/1076327666.db2.gz FHOOWCUMAHMVCU-MRXNPFEDSA-N 1 0 419.526 2.189 20 0 HEADRO CC[C@@H](C(=O)OCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[NH+](CC)CC ZINC000741032721 1076331413 /nfs/dbraw/zinc/33/14/13/1076331413.db2.gz IQZMJKRBEFJEFL-IBGZPJMESA-N 1 0 421.513 2.341 20 0 HEADRO CCCCn1c2nc(COC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)n(CC)c2c(=O)[nH]c1=O ZINC000741018046 1076337476 /nfs/dbraw/zinc/33/74/76/1076337476.db2.gz FKJVXAKVGYAPTD-KKUMJFAQSA-N 1 0 419.526 2.423 20 0 HEADRO C[NH+]1CCC(O)(CNC(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)CC1 ZINC000741084449 1076348727 /nfs/dbraw/zinc/34/87/27/1076348727.db2.gz OFGGCYQBLKZQHE-UHFFFAOYSA-N 1 0 411.502 2.300 20 0 HEADRO O=C(NCc1cc(F)ccc1N1CCOCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000741088797 1076350291 /nfs/dbraw/zinc/35/02/91/1076350291.db2.gz CQSPMKIFOUORHE-HXUWFJFHSA-N 1 0 420.529 2.105 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)C1 ZINC000741119071 1076379048 /nfs/dbraw/zinc/37/90/48/1076379048.db2.gz YKGBFEHPVJGKHP-LPHOPBHVSA-N 1 0 402.491 2.207 20 0 HEADRO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(S(=O)(=O)N(C)C)o3)CC[N@@H+]2C)cc1 ZINC000741124505 1076380352 /nfs/dbraw/zinc/38/03/52/1076380352.db2.gz NQWQYZHFUMYVCD-DNVCBOLYSA-N 1 0 422.503 2.388 20 0 HEADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000741155493 1076389024 /nfs/dbraw/zinc/38/90/24/1076389024.db2.gz GFCUWNPNZXVARR-VAMGGRTRSA-N 1 0 422.614 2.366 20 0 HEADRO CCc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnn1-c1ccc(OC(C)C)cc1 ZINC000741209274 1076404296 /nfs/dbraw/zinc/40/42/96/1076404296.db2.gz IXNVZICJOBXREX-IEBWSBKVSA-N 1 0 413.522 2.210 20 0 HEADRO Cc1nc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c2ccccn12 ZINC000741216765 1076407441 /nfs/dbraw/zinc/40/74/41/1076407441.db2.gz WZJVGAHKTKURBU-UHFFFAOYSA-N 1 0 411.550 2.487 20 0 HEADRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCC(=O)Nc1ccc(N3CCOCC3)cc1)CC2 ZINC000741250997 1076419620 /nfs/dbraw/zinc/41/96/20/1076419620.db2.gz HYJNIJMERBAAFQ-SFTDATJTSA-N 1 0 417.550 2.104 20 0 HEADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C)C(=O)Nc1ccc(N3CCOCC3)cc1)CC2 ZINC000741257032 1076445719 /nfs/dbraw/zinc/44/57/19/1076445719.db2.gz RYAIBOLNLJBMJN-DUXKGJEZSA-N 1 0 417.550 2.102 20 0 HEADRO COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000741327268 1076478103 /nfs/dbraw/zinc/47/81/03/1076478103.db2.gz NKEAMOVARKWGDD-XLIONFOSSA-N 1 0 416.518 2.242 20 0 HEADRO CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000741332040 1076478957 /nfs/dbraw/zinc/47/89/57/1076478957.db2.gz YSXDHTFMENDVGI-FQEVSTJZSA-N 1 0 416.518 2.244 20 0 HEADRO CC1(C)NC(=O)N(CCCOC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1=O ZINC000741332450 1076479936 /nfs/dbraw/zinc/47/99/36/1076479936.db2.gz XTWXBUAWLGPQPD-MRXNPFEDSA-N 1 0 405.470 2.301 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NC(=O)NCc3ccccc3)cc2)CC1 ZINC000741342698 1076486392 /nfs/dbraw/zinc/48/63/92/1076486392.db2.gz OMGOGRSGXILODM-UHFFFAOYSA-N 1 0 424.501 2.011 20 0 HEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1ccc(N2CCOC2=O)cc1 ZINC000741391947 1076519017 /nfs/dbraw/zinc/51/90/17/1076519017.db2.gz JDVMGNDTSCZGGC-JOCHJYFZSA-N 1 0 410.474 2.402 20 0 HEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC000741432361 1076525478 /nfs/dbraw/zinc/52/54/78/1076525478.db2.gz SCXQYEVQXFTPHB-MRXNPFEDSA-N 1 0 423.872 2.338 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000741587072 1076546656 /nfs/dbraw/zinc/54/66/56/1076546656.db2.gz VIOPLOGZLKHOMV-UDRNGCBJSA-N 1 0 419.591 2.498 20 0 HEADRO 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 1076546669 /nfs/dbraw/zinc/54/66/69/1076546669.db2.gz BIKDYHRQCUCUNC-YOEHRIQHSA-N 1 0 407.536 2.042 20 0 HEADRO 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 1076547349 /nfs/dbraw/zinc/54/73/49/1076547349.db2.gz PMLMYYCLKBRVII-BBRMVZONSA-N 1 0 417.959 2.324 20 0 HEADRO COCCOc1ccc(-n2nc(C)c(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)n2)cc1 ZINC000741592573 1076548851 /nfs/dbraw/zinc/54/88/51/1076548851.db2.gz SUXXCPBINHTSOX-YJBOKZPZSA-N 1 0 401.511 2.156 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000741578114 1076551315 /nfs/dbraw/zinc/55/13/15/1076551315.db2.gz FDLCEDOIUWYIFB-BXUZGUMPSA-N 1 0 403.342 2.265 20 0 HEADRO COCCOc1ccc(-n2nc(C)c(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)n2)cc1 ZINC000741584915 1076554442 /nfs/dbraw/zinc/55/44/42/1076554442.db2.gz LPVPHJDBKOJXRJ-DNVCBOLYSA-N 1 0 401.511 2.013 20 0 HEADRO Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000741604106 1076562591 /nfs/dbraw/zinc/56/25/91/1076562591.db2.gz PCXSDNIPXVNODY-BKUYFWCQSA-N 1 0 402.502 2.195 20 0 HEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2sccc2SC(F)F)cn1 ZINC000741610272 1076565307 /nfs/dbraw/zinc/56/53/07/1076565307.db2.gz SVKPNIFPAOODPZ-UHFFFAOYSA-N 1 0 403.480 2.189 20 0 HEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc(N3CCOC3=O)ccc2F)CC1 ZINC000741679694 1076584090 /nfs/dbraw/zinc/58/40/90/1076584090.db2.gz AEPOBGIRIIVVLP-IAGOWNOFSA-N 1 0 418.513 2.413 20 0 HEADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CCCn2cncn2)CC1 ZINC000741713891 1076589988 /nfs/dbraw/zinc/58/99/88/1076589988.db2.gz ZUDZMACTDQKIDF-UHFFFAOYSA-N 1 0 410.444 2.145 20 0 HEADRO C[NH+](C)C1(CNC(=O)CCC(=O)N2CCOc3ccccc32)Cc2ccccc2C1 ZINC000741707587 1076600043 /nfs/dbraw/zinc/60/00/43/1076600043.db2.gz AEGLNNPGOXSXHO-UHFFFAOYSA-N 1 0 407.514 2.408 20 0 HEADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)[C@H](C)C(C)C ZINC000741788154 1076627770 /nfs/dbraw/zinc/62/77/70/1076627770.db2.gz OLENMGXJWOYNNM-JVCXIRSZSA-N 1 0 407.580 2.498 20 0 HEADRO COC(=O)C1=C(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000741790065 1076628814 /nfs/dbraw/zinc/62/88/14/1076628814.db2.gz ALLRIZTVNDOSQC-XAUMDUMWSA-N 1 0 400.523 2.224 20 0 HEADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@@H](C)CCC[C@H]3C)C2=O)c1 ZINC000741794336 1076630970 /nfs/dbraw/zinc/63/09/70/1076630970.db2.gz JLDUIPBCEREUPW-ZSDSOXJFSA-N 1 0 402.495 2.004 20 0 HEADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000741873136 1076662988 /nfs/dbraw/zinc/66/29/88/1076662988.db2.gz WWXWBOQQIFAEBQ-MRXNPFEDSA-N 1 0 410.609 2.442 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)CC2)cc1 ZINC000741982291 1076702288 /nfs/dbraw/zinc/70/22/88/1076702288.db2.gz OAWGXUPHWKQQHJ-GHTZIAJQSA-N 1 0 402.564 2.292 20 0 HEADRO Cc1ccc(N2C[C@@H](C(=O)NCC3([NH+]4CCCCC4)CCN(C)CC3)CC2=O)cc1 ZINC000742010161 1076706034 /nfs/dbraw/zinc/70/60/34/1076706034.db2.gz CIVOWEUWPAWTGW-FQEVSTJZSA-N 1 0 412.578 2.414 20 0 HEADRO Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000742011234 1076707121 /nfs/dbraw/zinc/70/71/21/1076707121.db2.gz MHSCNFUCTVJBGK-FXBPSFAMSA-N 1 0 423.565 2.046 20 0 HEADRO Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000742011235 1076707179 /nfs/dbraw/zinc/70/71/79/1076707179.db2.gz MHSCNFUCTVJBGK-HEHNFIMWSA-N 1 0 423.565 2.046 20 0 HEADRO C[C@H](CNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000742048248 1076717577 /nfs/dbraw/zinc/71/75/77/1076717577.db2.gz ORDLHRDLGKPHNQ-DLBZAZTESA-N 1 0 420.579 2.084 20 0 HEADRO CCn1nc(C)c(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1Cl ZINC000742053911 1076719861 /nfs/dbraw/zinc/71/98/61/1076719861.db2.gz AHMCNNNLNICHDF-UHFFFAOYSA-N 1 0 411.978 2.421 20 0 HEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000742135525 1076750947 /nfs/dbraw/zinc/75/09/47/1076750947.db2.gz GOOSLBJCDGHEIK-GFCCVEGCSA-N 1 0 418.357 2.043 20 0 HEADRO C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CN2CC[C@H]([NH+]3CC=CC3)C2)C1=O ZINC000742163410 1076760651 /nfs/dbraw/zinc/76/06/51/1076760651.db2.gz RXNPCBVABYWGLZ-QFBILLFUSA-N 1 0 408.424 2.376 20 0 HEADRO Cn1c2nn(CN3CC[C@H](C[NH+]4CCCCC4)C3)c(=S)n2c2ccccc2c1=O ZINC000742170162 1076763129 /nfs/dbraw/zinc/76/31/29/1076763129.db2.gz IPFWZIVAFLQWPI-MRXNPFEDSA-N 1 0 412.563 2.482 20 0 HEADRO COC1CCC([N@H+](C)CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)CC1 ZINC000742149641 1076766115 /nfs/dbraw/zinc/76/61/15/1076766115.db2.gz NDFWWZMWCDHBDT-UHFFFAOYSA-N 1 0 424.542 2.155 20 0 HEADRO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000742162625 1076773345 /nfs/dbraw/zinc/77/33/45/1076773345.db2.gz XBMUISBULGJNJI-HOYKHHGWSA-N 1 0 422.529 2.218 20 0 HEADRO C[NH+](C)CCOc1ccccc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000742202009 1076788104 /nfs/dbraw/zinc/78/81/04/1076788104.db2.gz ZTVOKWKWZIHECV-UHFFFAOYSA-N 1 0 401.429 2.158 20 0 HEADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@H+]3CCC[C@H]3C)CC2)cc1C ZINC000742238671 1076803613 /nfs/dbraw/zinc/80/36/13/1076803613.db2.gz GZHAAKRQQSLMIH-GOSISDBHSA-N 1 0 407.580 2.305 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000742239525 1076803796 /nfs/dbraw/zinc/80/37/96/1076803796.db2.gz NOKPQDFPDDLXJI-CYBMUJFWSA-N 1 0 422.323 2.426 20 0 HEADRO COc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1S(=O)(=O)NC1CCCC1 ZINC000742242006 1076804285 /nfs/dbraw/zinc/80/42/85/1076804285.db2.gz XTGUIEMWPPBWLU-HNNXBMFYSA-N 1 0 409.552 2.130 20 0 HEADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 ZINC000742243386 1076804709 /nfs/dbraw/zinc/80/47/09/1076804709.db2.gz ACNAQIROMMRHQW-UHFFFAOYSA-N 1 0 402.539 2.127 20 0 HEADRO O=CNc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000742247907 1076805781 /nfs/dbraw/zinc/80/57/81/1076805781.db2.gz GCEWEOOMZYEVFH-LJQANCHMSA-N 1 0 407.518 2.324 20 0 HEADRO Cc1cccc(N2CC[NH+](CCC(=O)NCCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000742249876 1076806168 /nfs/dbraw/zinc/80/61/68/1076806168.db2.gz AAXSORVRXBABDB-UHFFFAOYSA-N 1 0 404.555 2.490 20 0 HEADRO C[NH+]1CCC(NS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000742271589 1076807178 /nfs/dbraw/zinc/80/71/78/1076807178.db2.gz JLBSKRSSWMXYLX-GOSISDBHSA-N 1 0 409.552 2.049 20 0 HEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000742275308 1076808247 /nfs/dbraw/zinc/80/82/47/1076808247.db2.gz NLDPYDUERMCXRS-JTQLQIEISA-N 1 0 407.305 2.359 20 0 HEADRO CC[NH+](CC)CCNS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742266287 1076811399 /nfs/dbraw/zinc/81/13/99/1076811399.db2.gz QWJZYGXVJOBMBO-IBGZPJMESA-N 1 0 411.568 2.296 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000742284392 1076815979 /nfs/dbraw/zinc/81/59/79/1076815979.db2.gz WXSOACVTZDFIKV-IBGZPJMESA-N 1 0 423.579 2.439 20 0 HEADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742286261 1076816708 /nfs/dbraw/zinc/81/67/08/1076816708.db2.gz HZFVGXGGGUTOSW-UXHICEINSA-N 1 0 423.579 2.439 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742295934 1076820576 /nfs/dbraw/zinc/82/05/76/1076820576.db2.gz AETWSCOXVRZLIC-RBUKOAKNSA-N 1 0 409.552 2.001 20 0 HEADRO CC[NH+]1CCN(c2ccc(CNC(=O)CCCN(C)C(=O)OC(C)(C)C)cn2)CC1 ZINC000742324627 1076824200 /nfs/dbraw/zinc/82/42/00/1076824200.db2.gz DKVPIRZKBWGQFC-UHFFFAOYSA-N 1 0 419.570 2.487 20 0 HEADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)CNC(=O)OCc3ccccc3)cc2)CC1 ZINC000742310604 1076826981 /nfs/dbraw/zinc/82/69/81/1076826981.db2.gz YULHMXWXWXSUCU-UHFFFAOYSA-N 1 0 424.545 2.367 20 0 HEADRO O=S(=O)(/C=C/c1cccc(Br)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000742316212 1076828512 /nfs/dbraw/zinc/82/85/12/1076828512.db2.gz FONHTDQNVYFSGP-WQRDJFRPSA-N 1 0 415.353 2.404 20 0 HEADRO Cn1ccc(N2CCC[C@H](ON=C(N)c3ccccc3C[NH+]3CCCCC3)C2=O)n1 ZINC000742356948 1076830002 /nfs/dbraw/zinc/83/00/02/1076830002.db2.gz KDYPRHLGBJVOEK-IBGZPJMESA-N 1 0 410.522 2.448 20 0 HEADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000742394917 1076833914 /nfs/dbraw/zinc/83/39/14/1076833914.db2.gz JZJGSZABCNTWCZ-INIZCTEOSA-N 1 0 424.586 2.081 20 0 HEADRO Cc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)[NH+](C)C)cc1 ZINC000742396951 1076834116 /nfs/dbraw/zinc/83/41/16/1076834116.db2.gz JEAIFHBDWMKRFC-HYBUGGRVSA-N 1 0 422.529 2.490 20 0 HEADRO CON(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000742398670 1076834403 /nfs/dbraw/zinc/83/44/03/1076834403.db2.gz ZWYSWBOKQDYMOQ-IBGZPJMESA-N 1 0 405.520 2.210 20 0 HEADRO C[C@@H]1NC(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000742484699 1076846806 /nfs/dbraw/zinc/84/68/06/1076846806.db2.gz MDWZZNDXOSTBMV-ICSRJNTNSA-N 1 0 419.529 2.353 20 0 HEADRO CC(C)=CC(=O)NCc1ccc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000742588264 1076853587 /nfs/dbraw/zinc/85/35/87/1076853587.db2.gz YZTZWNBXVNPLQN-UHFFFAOYSA-N 1 0 421.545 2.346 20 0 HEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000742647892 1076857956 /nfs/dbraw/zinc/85/79/56/1076857956.db2.gz VFGNCGTXHOVJNZ-MOPGFXCFSA-N 1 0 408.587 2.405 20 0 HEADRO CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000742669401 1076862559 /nfs/dbraw/zinc/86/25/59/1076862559.db2.gz KXLSXVIIAAHOSF-OAQYLSRUSA-N 1 0 400.567 2.271 20 0 HEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC000742670093 1076862801 /nfs/dbraw/zinc/86/28/01/1076862801.db2.gz FMFKFHWAKFIPOO-UHFFFAOYSA-N 1 0 408.543 2.402 20 0 HEADRO CC(C)[C@H](CNC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)N1CC[NH+](C)CC1 ZINC000742669711 1076862947 /nfs/dbraw/zinc/86/29/47/1076862947.db2.gz ODZGHJNJDYHICY-KRWDZBQOSA-N 1 0 408.543 2.306 20 0 HEADRO C[C@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000742671765 1076863469 /nfs/dbraw/zinc/86/34/69/1076863469.db2.gz YFNWIQUSBSNWIZ-UYAOXDASSA-N 1 0 418.582 2.295 20 0 HEADRO C[C@@H](CNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000742671724 1076863508 /nfs/dbraw/zinc/86/35/08/1076863508.db2.gz JINMAKRKNKPHAY-ZDUSSCGKSA-N 1 0 402.417 2.163 20 0 HEADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000742792185 1076879785 /nfs/dbraw/zinc/87/97/85/1076879785.db2.gz RVOLXYUMZHTTBI-SFHVURJKSA-N 1 0 407.518 2.154 20 0 HEADRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(Br)nc1)Cc1ccccc1 ZINC000766285103 1076883952 /nfs/dbraw/zinc/88/39/52/1076883952.db2.gz BIEKUCYLNYRODN-UHFFFAOYSA-N 1 0 405.296 2.421 20 0 HEADRO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)C1 ZINC000742865725 1076889895 /nfs/dbraw/zinc/88/98/95/1076889895.db2.gz JDTUPZJBWUKREQ-PXNSSMCTSA-N 1 0 400.523 2.375 20 0 HEADRO C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000742896568 1076893883 /nfs/dbraw/zinc/89/38/83/1076893883.db2.gz AEBFCFIEONLRRM-UHFFFAOYSA-N 1 0 420.513 2.378 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)C1 ZINC000742901800 1076895036 /nfs/dbraw/zinc/89/50/36/1076895036.db2.gz QRPASFDTWGQIQW-KRWDZBQOSA-N 1 0 420.558 2.406 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000742915329 1076897046 /nfs/dbraw/zinc/89/70/46/1076897046.db2.gz IQEDZJZEOCQDIE-GFCCVEGCSA-N 1 0 403.342 2.266 20 0 HEADRO C[C@@H]1NC(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)=NN(c2ccccc2)C1=O ZINC000742963722 1076908839 /nfs/dbraw/zinc/90/88/39/1076908839.db2.gz VMWMDOODJMTZMR-MOPGFXCFSA-N 1 0 419.529 2.448 20 0 HEADRO C[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000742961887 1076909195 /nfs/dbraw/zinc/90/91/95/1076909195.db2.gz YNDLPIWHFUZOJA-XMSQKQJNSA-N 1 0 419.529 2.230 20 0 HEADRO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=S)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000743009721 1076924242 /nfs/dbraw/zinc/92/42/42/1076924242.db2.gz RFBOLXSUUDYGBB-WMLDXEAASA-N 1 0 406.552 2.139 20 0 HEADRO C[C@@H]1CN(C(=S)NC2CC[NH+](C)CC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000743017292 1076929138 /nfs/dbraw/zinc/92/91/38/1076929138.db2.gz IKIFCZIFESQXTL-OAHLLOKOSA-N 1 0 408.999 2.384 20 0 HEADRO CCc1nsc(N2CCN(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)CC2)n1 ZINC000743080132 1076946538 /nfs/dbraw/zinc/94/65/38/1076946538.db2.gz BUQYRJZPNKHRLB-UHFFFAOYSA-N 1 0 415.567 2.206 20 0 HEADRO COCC[S@@](=O)Cc1cccc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000743159007 1076979538 /nfs/dbraw/zinc/97/95/38/1076979538.db2.gz TZBPBOTYIPKFMF-GDLZYMKVSA-N 1 0 424.611 2.071 20 0 HEADRO CC[N@H+](CCNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C1CC1 ZINC000743162509 1076981700 /nfs/dbraw/zinc/98/17/00/1076981700.db2.gz AMDFBPZSFKYRAJ-UHFFFAOYSA-N 1 0 408.446 2.133 20 0 HEADRO C[NH+]1CCN(C[C@@H](NC(=O)Nc2ccn(Cc3ccccn3)n2)c2ccccc2)CC1 ZINC000743164421 1076983692 /nfs/dbraw/zinc/98/36/92/1076983692.db2.gz IULGGPKXLWDHFC-OAQYLSRUSA-N 1 0 419.533 2.437 20 0 HEADRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccn(Cc4ccccn4)n3)cn2)CC1 ZINC000743165273 1076984606 /nfs/dbraw/zinc/98/46/06/1076984606.db2.gz UWQGFOXDVPTFNL-UHFFFAOYSA-N 1 0 420.521 2.185 20 0 HEADRO CC(C)[C@@H](CNC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1)[NH+]1CCN(C)CC1 ZINC000743171376 1076987752 /nfs/dbraw/zinc/98/77/52/1076987752.db2.gz QPQANZJQOWBTIE-WIYYLYMNSA-N 1 0 403.571 2.305 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1 ZINC000743174862 1076989632 /nfs/dbraw/zinc/98/96/32/1076989632.db2.gz VMRKQDMJDDMWIK-RTBURBONSA-N 1 0 403.571 2.307 20 0 HEADRO CN(C(=O)c1ccncc1)c1ccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000743205528 1076996333 /nfs/dbraw/zinc/99/63/33/1076996333.db2.gz RTPODQKTBQJTGQ-UHFFFAOYSA-N 1 0 421.505 2.438 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)cc2)CC1 ZINC000743313568 1077024590 /nfs/dbraw/zinc/02/45/90/1077024590.db2.gz VRPSESBILLLFQZ-LJQANCHMSA-N 1 0 420.513 2.286 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)cc2)CC1 ZINC000743313567 1077024657 /nfs/dbraw/zinc/02/46/57/1077024657.db2.gz VRPSESBILLLFQZ-IBGZPJMESA-N 1 0 420.513 2.286 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)NCCC3N=NC(=S)N3C3CC3)cc2)CC1 ZINC000743345215 1077027301 /nfs/dbraw/zinc/02/73/01/1077027301.db2.gz SSSVAGPMLAROTD-UHFFFAOYSA-N 1 0 400.552 2.016 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(CN2C(=O)N[C@](CC)(c3ccc(OC)cc3)C2=O)C1 ZINC000743387510 1077039391 /nfs/dbraw/zinc/03/93/91/1077039391.db2.gz ISDOVKBJAGJGGY-VGOFRKELSA-N 1 0 402.539 2.474 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(F)cc1F ZINC000743396566 1077041911 /nfs/dbraw/zinc/04/19/11/1077041911.db2.gz XOKZAIDUGDBUAX-LBPRGKRZSA-N 1 0 410.465 2.488 20 0 HEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)C1 ZINC000743431739 1077047141 /nfs/dbraw/zinc/04/71/41/1077047141.db2.gz OOULYHDFMCSPLS-ZDUSSCGKSA-N 1 0 424.427 2.071 20 0 HEADRO CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000743414600 1077049913 /nfs/dbraw/zinc/04/99/13/1077049913.db2.gz SBSPZNLWPYNGDU-PYUISTEWSA-N 1 0 401.507 2.438 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)cc1 ZINC000743529573 1077064519 /nfs/dbraw/zinc/06/45/19/1077064519.db2.gz RQXDLOSLOUIUBV-WSTZPKSXSA-N 1 0 402.539 2.289 20 0 HEADRO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000743567382 1077073763 /nfs/dbraw/zinc/07/37/63/1077073763.db2.gz OHPSUYMDNNVPLG-OXJNMPFZSA-N 1 0 416.570 2.258 20 0 HEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000743622444 1077076474 /nfs/dbraw/zinc/07/64/74/1077076474.db2.gz GWMDAXGZNDHTED-RCCFBDPRSA-N 1 0 412.575 2.480 20 0 HEADRO COCCC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000743623496 1077076885 /nfs/dbraw/zinc/07/68/85/1077076885.db2.gz YCWYPKQFDKFTSO-FQEVSTJZSA-N 1 0 402.539 2.291 20 0 HEADRO C[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Oc1ccc(Br)cc1 ZINC000743593458 1077077575 /nfs/dbraw/zinc/07/75/75/1077077575.db2.gz DDHHEBITGPLMTL-KMFMINBZSA-N 1 0 412.328 2.379 20 0 HEADRO C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Oc1cccc(Br)c1 ZINC000743594668 1077077870 /nfs/dbraw/zinc/07/78/70/1077077870.db2.gz VVNBQEWBRLXQGK-UKPHBRMFSA-N 1 0 412.328 2.379 20 0 HEADRO CCN(CC1CCN(c2ccccn2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000743594015 1077078029 /nfs/dbraw/zinc/07/80/29/1077078029.db2.gz LFSGBEINTIDSNL-VQTJNVASSA-N 1 0 401.555 2.193 20 0 HEADRO COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000743598464 1077078404 /nfs/dbraw/zinc/07/84/04/1077078404.db2.gz HVUXGZMFRFWOLE-LJQANCHMSA-N 1 0 402.539 2.289 20 0 HEADRO C[C@@H]1C[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC[N@@H+]1C ZINC000743639938 1077085721 /nfs/dbraw/zinc/08/57/21/1077085721.db2.gz ZTBLNPAEWPTBGK-ZOUOIUENSA-N 1 0 408.502 2.206 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743708294 1077094420 /nfs/dbraw/zinc/09/44/20/1077094420.db2.gz VOLAOJUXRJEYRJ-KBPBESRZSA-N 1 0 406.918 2.386 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(OC)cc2)C1 ZINC000743759103 1077102365 /nfs/dbraw/zinc/10/23/65/1077102365.db2.gz ZHZWWTYWDGELPS-OAHLLOKOSA-N 1 0 403.552 2.433 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(N3CCOC3=O)ccc2C)CC1=O ZINC000743778098 1077109510 /nfs/dbraw/zinc/10/95/10/1077109510.db2.gz FBWMIJVXNGWXQH-SJLPKXTDSA-N 1 0 414.506 2.223 20 0 HEADRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000743764169 1077116832 /nfs/dbraw/zinc/11/68/32/1077116832.db2.gz AMJHZHIHPHIFBF-GCJKJVERSA-N 1 0 405.539 2.289 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000743765336 1077117509 /nfs/dbraw/zinc/11/75/09/1077117509.db2.gz IEALWGOKSXKXKN-PWHSHALESA-N 1 0 417.550 2.433 20 0 HEADRO CCc1ccc(N2C[C@@H](C(=O)NC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2=O)cc1 ZINC000743766549 1077118237 /nfs/dbraw/zinc/11/82/37/1077118237.db2.gz NHAMKVALOXMXSJ-SQJMNOBHSA-N 1 0 421.541 2.355 20 0 HEADRO Cc1ccc(N2CCC[C@@H]([NH+]3CCC(CNC(=O)c4cnn(C)c4)CC3)C2=O)cc1 ZINC000743851118 1077142112 /nfs/dbraw/zinc/14/21/12/1077142112.db2.gz KIFCXAIPYQDPRP-OAQYLSRUSA-N 1 0 409.534 2.366 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1 ZINC000743866296 1077151567 /nfs/dbraw/zinc/15/15/67/1077151567.db2.gz BUQOLTJCZYIHMK-IBGZPJMESA-N 1 0 404.530 2.093 20 0 HEADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1N1CCOC1=O ZINC000743882559 1077168404 /nfs/dbraw/zinc/16/84/04/1077168404.db2.gz ATGXITGFTBMBKI-HUUCEWRRSA-N 1 0 402.495 2.127 20 0 HEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000743912803 1077191047 /nfs/dbraw/zinc/19/10/47/1077191047.db2.gz WQHULJKLDDOSBP-MRXNPFEDSA-N 1 0 402.495 2.271 20 0 HEADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2C)CC1 ZINC000743916579 1077195089 /nfs/dbraw/zinc/19/50/89/1077195089.db2.gz WURODAWEPQYZTA-UHFFFAOYSA-N 1 0 402.495 2.128 20 0 HEADRO Cc1c(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cccc1N1CCOC1=O ZINC000743916727 1077195247 /nfs/dbraw/zinc/19/52/47/1077195247.db2.gz DOYLJPDHEONJPS-UHFFFAOYSA-N 1 0 414.506 2.367 20 0 HEADRO Cc1c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cccc1N1CCOC1=O ZINC000743898675 1077210157 /nfs/dbraw/zinc/21/01/57/1077210157.db2.gz HTAHETFIJGQLRK-HNNXBMFYSA-N 1 0 402.495 2.127 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)[C@H]3CCOC3)cc2Cl)CC1 ZINC000743941742 1077233674 /nfs/dbraw/zinc/23/36/74/1077233674.db2.gz TVNGFTQPOGCFDH-CVEARBPZSA-N 1 0 422.957 2.352 20 0 HEADRO O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000743920403 1077242486 /nfs/dbraw/zinc/24/24/86/1077242486.db2.gz YSWIQFUEWFXLJN-SFHVURJKSA-N 1 0 422.533 2.353 20 0 HEADRO CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000743920344 1077242758 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HEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N(CC)CC)C1 ZINC000743988266 1077281275 /nfs/dbraw/zinc/28/12/75/1077281275.db2.gz NOSSSUJDXAPBHJ-KRWDZBQOSA-N 1 0 402.539 2.297 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)OCC)cc2)C1 ZINC000743988857 1077282324 /nfs/dbraw/zinc/28/23/24/1077282324.db2.gz TUXHAJRVUHDXNH-INIZCTEOSA-N 1 0 404.511 2.408 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2F)C1 ZINC000743989866 1077282751 /nfs/dbraw/zinc/28/27/51/1077282751.db2.gz PEZBQHXQBASOGG-OAHLLOKOSA-N 1 0 404.486 2.081 20 0 HEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000743991740 1077283169 /nfs/dbraw/zinc/28/31/69/1077283169.db2.gz BIOLMJJGFMWQMT-MBOZVWFJSA-N 1 0 402.539 2.181 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000743995077 1077285120 /nfs/dbraw/zinc/28/51/20/1077285120.db2.gz KPHLBWFKHJNIPT-FGTMMUONSA-N 1 0 402.539 2.039 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000743977835 1077291204 /nfs/dbraw/zinc/29/12/04/1077291204.db2.gz ACEMLTMRSPXRHR-AWEZNQCLSA-N 1 0 410.971 2.432 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000743977972 1077291953 /nfs/dbraw/zinc/29/19/53/1077291953.db2.gz BTHLFFGPNGNYNU-KRWDZBQOSA-N 1 0 424.501 2.243 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000743979212 1077292828 /nfs/dbraw/zinc/29/28/28/1077292828.db2.gz DYDRNFZDMLZGAV-QGZVFWFLSA-N 1 0 420.513 2.429 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000743980152 1077293716 /nfs/dbraw/zinc/29/37/16/1077293716.db2.gz WIRIIRDCWAIHRI-HNNXBMFYSA-N 1 0 413.547 2.245 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000743981824 1077294986 /nfs/dbraw/zinc/29/49/86/1077294986.db2.gz SLSFECDCAZVNFW-CQSZACIVSA-N 1 0 413.478 2.065 20 0 HEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000743983183 1077295620 /nfs/dbraw/zinc/29/56/20/1077295620.db2.gz UFYYNNUPAREWGS-INIZCTEOSA-N 1 0 400.523 2.288 20 0 HEADRO C[C@@H]1NC(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)=NN(c2ccccc2)C1=O ZINC000744098476 1077322499 /nfs/dbraw/zinc/32/24/99/1077322499.db2.gz NPKFYPBISAWUJO-INIZCTEOSA-N 1 0 411.481 2.054 20 0 HEADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1cccc2c1COC2=O ZINC000744251491 1077349905 /nfs/dbraw/zinc/34/99/05/1077349905.db2.gz AVJWNTVTJFOIFR-UHFFFAOYSA-N 1 0 410.442 2.388 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000744418652 1077378609 /nfs/dbraw/zinc/37/86/09/1077378609.db2.gz CZOVYJGDVPRVJZ-AWEZNQCLSA-N 1 0 403.495 2.285 20 0 HEADRO CC[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000744420306 1077379974 /nfs/dbraw/zinc/37/99/74/1077379974.db2.gz ISEPAFDKTCJXLK-LJQANCHMSA-N 1 0 405.520 2.027 20 0 HEADRO O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000744409421 1077383382 /nfs/dbraw/zinc/38/33/82/1077383382.db2.gz PQSOTQJGSWQOHL-HNNXBMFYSA-N 1 0 415.506 2.429 20 0 HEADRO CCOC(=O)C1=C(CN(C)CC[C@@H]2CCCC[N@@H+]2C)NC(=O)N[C@@H]1c1ccco1 ZINC000744411890 1077384193 /nfs/dbraw/zinc/38/41/93/1077384193.db2.gz UUUYZSIXLCDTFS-HNAYVOBHSA-N 1 0 404.511 2.257 20 0 HEADRO CCc1ccc(N2CC[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 ZINC000744422524 1077386480 /nfs/dbraw/zinc/38/64/80/1077386480.db2.gz GWVFSKOCWMHMLZ-UHFFFAOYSA-N 1 0 416.547 2.047 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)C1 ZINC000744423338 1077387418 /nfs/dbraw/zinc/38/74/18/1077387418.db2.gz FCYGQEDEIUUJDL-OXJNMPFZSA-N 1 0 400.523 2.083 20 0 HEADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000766313584 1077388754 /nfs/dbraw/zinc/38/87/54/1077388754.db2.gz YTNXFSAINLVHDD-INIZCTEOSA-N 1 0 405.930 2.320 20 0 HEADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000766313586 1077388884 /nfs/dbraw/zinc/38/88/84/1077388884.db2.gz YTNXFSAINLVHDD-MRXNPFEDSA-N 1 0 405.930 2.320 20 0 HEADRO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000744429194 1077390733 /nfs/dbraw/zinc/39/07/33/1077390733.db2.gz RVIGJTFUROKRJZ-PDQLOIDKSA-N 1 0 405.564 2.252 20 0 HEADRO CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N(CN1CCC[N@@H+](C3CCCC3)CC1)C2 ZINC000744433986 1077392785 /nfs/dbraw/zinc/39/27/85/1077392785.db2.gz JGRUABOPPQWSKT-UHFFFAOYSA-N 1 0 406.571 2.364 20 0 HEADRO O=C1CN(/C=C\c2ccccc2)C(=O)N1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000744442382 1077396912 /nfs/dbraw/zinc/39/69/12/1077396912.db2.gz ZAKHLAUCXYSPNB-NVNXTCNLSA-N 1 0 412.534 2.456 20 0 HEADRO C[C@@H](OC(=O)c1cccnc1-n1cccn1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744655135 1077540206 /nfs/dbraw/zinc/54/02/06/1077540206.db2.gz MSGOSCZYPZXWGN-IEBWSBKVSA-N 1 0 419.485 2.203 20 0 HEADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccncc2Cl)C3)CC[N@@H+]1C ZINC001006299768 1077549474 /nfs/dbraw/zinc/54/94/74/1077549474.db2.gz PWESTJFVBDFZBP-CGHHPOIWSA-N 1 0 404.942 2.256 20 0 HEADRO O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000744758689 1077571051 /nfs/dbraw/zinc/57/10/51/1077571051.db2.gz FLVLQMINMKLTNC-UHFFFAOYSA-N 1 0 412.534 2.268 20 0 HEADRO C[C@H](OC(=O)c1c[nH]nc1-c1ccncc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744814176 1077586119 /nfs/dbraw/zinc/58/61/19/1077586119.db2.gz QEGWIXVNCPDIET-LPHOPBHVSA-N 1 0 419.485 2.408 20 0 HEADRO CCC(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744819701 1077590129 /nfs/dbraw/zinc/59/01/29/1077590129.db2.gz RRRGKHCCVXXURR-YZGWKJHDSA-N 1 0 415.534 2.100 20 0 HEADRO C[C@@H]1CC[N@H+](CCNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000744798889 1077597453 /nfs/dbraw/zinc/59/74/53/1077597453.db2.gz PYYNHNCBUZRCPP-GANRHZMWSA-N 1 0 405.564 2.157 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cccc(NC(=O)NC3CC3)c2)CC1 ZINC000744831524 1077612750 /nfs/dbraw/zinc/61/27/50/1077612750.db2.gz ABAQWLGGVMRTFI-UHFFFAOYSA-N 1 0 402.495 2.116 20 0 HEADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001545681240 1077627107 /nfs/dbraw/zinc/62/71/07/1077627107.db2.gz QOFZCDNVYIURQG-BHIYHBOVSA-N 1 0 406.575 2.212 20 0 HEADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001545681243 1077627820 /nfs/dbraw/zinc/62/78/20/1077627820.db2.gz QOFZCDNVYIURQG-YTQUADARSA-N 1 0 406.575 2.212 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000744881740 1077650215 /nfs/dbraw/zinc/65/02/15/1077650215.db2.gz CPVSURKJWVRLEQ-KRWDZBQOSA-N 1 0 411.543 2.308 20 0 HEADRO CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000745024886 1077708880 /nfs/dbraw/zinc/70/88/80/1077708880.db2.gz ZWNDEDSZEACEFM-FZKQIMNGSA-N 1 0 415.412 2.218 20 0 HEADRO Cc1cc(Br)c(N)c(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000745058209 1077721609 /nfs/dbraw/zinc/72/16/09/1077721609.db2.gz HOVOSCFDQMVRAP-UHFFFAOYSA-N 1 0 412.328 2.486 20 0 HEADRO COc1ccc(C[NH+]2CCC(CNC(=O)CSc3cccc[n+]3[O-])CC2)cc1 ZINC000745125140 1077754216 /nfs/dbraw/zinc/75/42/16/1077754216.db2.gz VLGHIQUVLJHYKV-UHFFFAOYSA-N 1 0 401.532 2.449 20 0 HEADRO CC(C)(C)CNC(=O)c1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000745184492 1077763700 /nfs/dbraw/zinc/76/37/00/1077763700.db2.gz TVWYHQXDKBBZOD-UHFFFAOYSA-N 1 0 415.534 2.362 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000745315473 1077806573 /nfs/dbraw/zinc/80/65/73/1077806573.db2.gz HOZORTZYUBKYPR-ZWKOTPCHSA-N 1 0 412.575 2.384 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000745432806 1077824692 /nfs/dbraw/zinc/82/46/92/1077824692.db2.gz LJZFOHDYLNDNEI-LEWJYISDSA-N 1 0 415.582 2.062 20 0 HEADRO CN(CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)OC(C)(C)C ZINC000771762969 1079517309 /nfs/dbraw/zinc/51/73/09/1079517309.db2.gz QZBZTFYNPHTLAN-SFHVURJKSA-N 1 0 411.591 2.053 20 0 HEADRO CN(CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)OC(C)(C)C ZINC000771762968 1079517480 /nfs/dbraw/zinc/51/74/80/1079517480.db2.gz QZBZTFYNPHTLAN-GOSISDBHSA-N 1 0 411.591 2.053 20 0 HEADRO C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763657 1079518794 /nfs/dbraw/zinc/51/87/94/1079518794.db2.gz XCOBPWJXLWHTCD-PMACEKPBSA-N 1 0 409.534 2.151 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763660 1079519074 /nfs/dbraw/zinc/51/90/74/1079519074.db2.gz XCOBPWJXLWHTCD-WOJBJXKFSA-N 1 0 409.534 2.151 20 0 HEADRO CCN(CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)OC(C)(C)C ZINC000771766221 1079520027 /nfs/dbraw/zinc/52/00/27/1079520027.db2.gz SRQUPHOAMQMPGX-GOSISDBHSA-N 1 0 411.591 2.053 20 0 HEADRO C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000771764799 1079520396 /nfs/dbraw/zinc/52/03/96/1079520396.db2.gz DPUUXKTWFGYPKW-UZLBHIALSA-N 1 0 413.566 2.076 20 0 HEADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CC(=O)NCCc2cccc3cccnc32)cn1 ZINC000766958202 1079521832 /nfs/dbraw/zinc/52/18/32/1079521832.db2.gz OFBFUIMRYUVBGW-NHCUHLMSSA-N 1 0 407.518 2.215 20 0 HEADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(OC(F)F)cc2)cn1 ZINC000766956804 1079521870 /nfs/dbraw/zinc/52/18/70/1079521870.db2.gz XCQYNWKDAUUSMW-WMZOPIPTSA-N 1 0 408.449 2.226 20 0 HEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000771842739 1079533714 /nfs/dbraw/zinc/53/37/14/1079533714.db2.gz VSHHKPUJHWIJET-IBGZPJMESA-N 1 0 405.564 2.192 20 0 HEADRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000766947987 1079540847 /nfs/dbraw/zinc/54/08/47/1079540847.db2.gz WJAHKTBCKVWZIQ-WBAXXEDZSA-N 1 0 402.495 2.352 20 0 HEADRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000766948818 1079543600 /nfs/dbraw/zinc/54/36/00/1079543600.db2.gz WIPTYANPEGAVBV-VPWXQRGCSA-N 1 0 416.522 2.203 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC[C@@H]21 ZINC000766988882 1079549630 /nfs/dbraw/zinc/54/96/30/1079549630.db2.gz DXYREQUCCBHZPR-CJNGLKHVSA-N 1 0 401.479 2.038 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@H]21 ZINC000766990491 1079551213 /nfs/dbraw/zinc/55/12/13/1079551213.db2.gz SMKSPLVCIIDAMI-GOEBONIOSA-N 1 0 404.580 2.471 20 0 HEADRO C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000771918805 1079571770 /nfs/dbraw/zinc/57/17/70/1079571770.db2.gz IYFFRYFMZKTEDO-ZWKOTPCHSA-N 1 0 411.591 2.053 20 0 HEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Cc1cnn(-c2ccccc2)n1 ZINC000804344561 1079572314 /nfs/dbraw/zinc/57/23/14/1079572314.db2.gz VPEKQVHIHCAAFH-UHFFFAOYSA-N 1 0 418.545 2.086 20 0 HEADRO CCC1([NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001170035098 1079573060 /nfs/dbraw/zinc/57/30/60/1079573060.db2.gz MODBNFKEFURHQX-CVEARBPZSA-N 1 0 413.584 2.446 20 0 HEADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000766983163 1079578592 /nfs/dbraw/zinc/57/85/92/1079578592.db2.gz VGMLIOPPVPVHIU-CJNGLKHVSA-N 1 0 401.532 2.419 20 0 HEADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000766983164 1079578635 /nfs/dbraw/zinc/57/86/35/1079578635.db2.gz VGMLIOPPVPVHIU-CZUORRHYSA-N 1 0 401.532 2.419 20 0 HEADRO CC[NH+](CC)CCOC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000771902144 1079583171 /nfs/dbraw/zinc/58/31/71/1079583171.db2.gz PQXHSFLMJXSRKJ-UHFFFAOYSA-N 1 0 419.341 2.388 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000767012292 1079587169 /nfs/dbraw/zinc/58/71/69/1079587169.db2.gz NRFXMNNJHXINNS-SFHVURJKSA-N 1 0 406.527 2.193 20 0 HEADRO C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1nc2ccccc2s1 ZINC000767018624 1079591156 /nfs/dbraw/zinc/59/11/56/1079591156.db2.gz NMRVJIGVWKCRSL-GDBMZVCRSA-N 1 0 401.536 2.305 20 0 HEADRO O=C(CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000767019611 1079592162 /nfs/dbraw/zinc/59/21/62/1079592162.db2.gz HRNMXQKANBFLEC-LJQANCHMSA-N 1 0 415.456 2.487 20 0 HEADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000771959601 1079605198 /nfs/dbraw/zinc/60/51/98/1079605198.db2.gz IQKGCUJHGJUJQQ-UXHICEINSA-N 1 0 423.579 2.391 20 0 HEADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(N2C(=O)[C@@H]3[C@H](O)CCCN3C2=O)cc1 ZINC000771962517 1079607729 /nfs/dbraw/zinc/60/77/29/1079607729.db2.gz CRQPFOLZCUCUPL-QUCCMNQESA-N 1 0 414.506 2.183 20 0 HEADRO COc1cc(C[NH2+]CCc2cnc(C)s2)ccc1OCC(=O)N1CCOCC1 ZINC000771979405 1079621711 /nfs/dbraw/zinc/62/17/11/1079621711.db2.gz NEMZXLGOAIYRKK-UHFFFAOYSA-N 1 0 405.520 2.030 20 0 HEADRO Cn1ccnc1[C@H](O)C1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000771985436 1079629654 /nfs/dbraw/zinc/62/96/54/1079629654.db2.gz JTLIVSRGYCXNPW-RTBURBONSA-N 1 0 403.502 2.317 20 0 HEADRO 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 ZINC000771996505 1079639804 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ZIONQJIAZQQAKQ-FUHWJXTLSA-N 1 0 424.586 2.127 20 0 HEADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(CC(C)C)C2CC2)CC[N@@H+]1C ZINC001109307269 1080574328 /nfs/dbraw/zinc/57/43/28/1080574328.db2.gz BSSUNRJDZIJEHH-IFLJBQAJSA-N 1 0 404.599 2.085 20 0 HEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786394906 1080584868 /nfs/dbraw/zinc/58/48/68/1080584868.db2.gz YDHIVJKGSQQCDD-QGZVFWFLSA-N 1 0 424.586 2.321 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000786394238 1080585208 /nfs/dbraw/zinc/58/52/08/1080585208.db2.gz XUINOFRIZSLLQD-QRVBRYPASA-N 1 0 407.461 2.342 20 0 HEADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC001626111550 1080587235 /nfs/dbraw/zinc/58/72/35/1080587235.db2.gz OXDNTNGWEKBGLU-GFCCVEGCSA-N 1 0 403.342 2.314 20 0 HEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)C1 ZINC000786415281 1080592352 /nfs/dbraw/zinc/59/23/52/1080592352.db2.gz UYMNPIGXYJSGLZ-QGZVFWFLSA-N 1 0 424.586 2.178 20 0 HEADRO CN1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000768499409 1080594741 /nfs/dbraw/zinc/59/47/41/1080594741.db2.gz ZPLUKWCRKMQDJD-SFHVURJKSA-N 1 0 405.543 2.421 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000768502135 1080595229 /nfs/dbraw/zinc/59/52/29/1080595229.db2.gz LNWAJTOWSYPOFD-HXNATXLZSA-N 1 0 414.550 2.120 20 0 HEADRO COC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1F ZINC000786428837 1080596983 /nfs/dbraw/zinc/59/69/83/1080596983.db2.gz WUTXSVBWYXYAMV-UHFFFAOYSA-N 1 0 416.453 2.363 20 0 HEADRO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000786439958 1080602411 /nfs/dbraw/zinc/60/24/11/1080602411.db2.gz HYGIIEQBBATMNR-SCWSEQNSSA-N 1 0 401.507 2.125 20 0 HEADRO CCc1ccc([C@@]2(CC)NC(=O)N(CN3CC[NH+](C4CCOCC4)CC3)C2=O)cc1 ZINC000768492442 1080604791 /nfs/dbraw/zinc/60/47/91/1080604791.db2.gz GYRSFNFWCVCPDM-HSZRJFAPSA-N 1 0 414.550 2.160 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)OC)cc2)CC1 ZINC000786444233 1080605479 /nfs/dbraw/zinc/60/54/79/1080605479.db2.gz KWSAYRQLMMZQGW-XJABCFGWSA-N 1 0 414.550 2.041 20 0 HEADRO Cc1nc(Cn2nnc(C(=O)O[C@H]3CC[N@H+](Cc4ccc5c(c4)CCC5)C3)c2C)no1 ZINC000786477271 1080616757 /nfs/dbraw/zinc/61/67/57/1080616757.db2.gz GUSJETCDWBBQLQ-IBGZPJMESA-N 1 0 422.489 2.246 20 0 HEADRO CCC[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768539454 1080618568 /nfs/dbraw/zinc/61/85/68/1080618568.db2.gz LBFBPXOYYUKRGT-SFHVURJKSA-N 1 0 424.586 2.225 20 0 HEADRO Cc1nc(Cn2nnc(C(=O)O[C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2C)no1 ZINC000786484938 1080627022 /nfs/dbraw/zinc/62/70/22/1080627022.db2.gz QPNDVMKCUGHUOG-CRAIPNDOSA-N 1 0 410.478 2.394 20 0 HEADRO C[C@@H](OC(=O)c1ccnc(Cl)c1N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768564275 1080632969 /nfs/dbraw/zinc/63/29/69/1080632969.db2.gz NFVGXSYKTZXGGV-UKRRQHHQSA-N 1 0 402.882 2.253 20 0 HEADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C[C@@H](O)C[NH+]1CCCC1 ZINC000786450364 1080635775 /nfs/dbraw/zinc/63/57/75/1080635775.db2.gz HUNHKMRFOMBKBK-MRXNPFEDSA-N 1 0 415.372 2.487 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)OC)cc2Cl)CC1 ZINC000786450759 1080635788 /nfs/dbraw/zinc/63/57/88/1080635788.db2.gz ZODJWKMINBCLQT-LSDHHAIUSA-N 1 0 410.946 2.350 20 0 HEADRO COC(=O)COc1c(C)cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1C ZINC000768577475 1080643165 /nfs/dbraw/zinc/64/31/65/1080643165.db2.gz IDUCVZUVUPBINQ-PMACEKPBSA-N 1 0 418.534 2.353 20 0 HEADRO CS(=O)(=O)c1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1Cl ZINC000768579410 1080644475 /nfs/dbraw/zinc/64/44/75/1080644475.db2.gz IQFUIAVAVVBGAE-IRXDYDNUSA-N 1 0 414.955 2.241 20 0 HEADRO CCc1ccc(N2C[C@H](C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)CC2=O)cc1 ZINC000768585189 1080667160 /nfs/dbraw/zinc/66/71/60/1080667160.db2.gz ZEAMUWZZNVRUME-STZQEDGTSA-N 1 0 413.562 2.486 20 0 HEADRO COc1ccc([C@H](CNC(=O)COC(=O)c2oncc2C)[NH+]2CCCCC2)cc1 ZINC000768606624 1080680207 /nfs/dbraw/zinc/68/02/07/1080680207.db2.gz NSZWLBXMERDYIX-SFHVURJKSA-N 1 0 401.463 2.492 20 0 HEADRO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C2CC(C)(C)N(O)C(C)(C)C2)[C@@H]2CCCO[C@H]12 ZINC001169994287 1080692571 /nfs/dbraw/zinc/69/25/71/1080692571.db2.gz BFPNMVQOOFXEBT-ZHALLVOQSA-N 1 0 404.555 2.398 20 0 HEADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cnn(-c3ccccc3Cl)c2)C[C@H](C)O1 ZINC000768704255 1080718301 /nfs/dbraw/zinc/71/83/01/1080718301.db2.gz ZIPYHOFKBWPSDA-GJZGRUSLSA-N 1 0 419.913 2.080 20 0 HEADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C2(C)OCCO2)C1)[NH+]1CCCCCC1 ZINC000786626256 1080719053 /nfs/dbraw/zinc/71/90/53/1080719053.db2.gz JCGMAFMNQDJTCG-RTBURBONSA-N 1 0 409.571 2.005 20 0 HEADRO CC(C)[C@H](CNC(=O)C(=O)NCC[S@](=O)Cc1ccccc1)[NH+]1CCCCCC1 ZINC000786629157 1080723982 /nfs/dbraw/zinc/72/39/82/1080723982.db2.gz RILMBLCUFDEWHU-WRONEBCDSA-N 1 0 421.607 2.068 20 0 HEADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000768713307 1080728916 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JVWPKOGHOVBUEI-QZTJIDSGSA-N 1 0 401.515 2.003 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCCNC(=O)OC(C)(C)C)C1 ZINC000786736111 1080784452 /nfs/dbraw/zinc/78/44/52/1080784452.db2.gz CBGQAXFOXLWABS-MSOLQXFVSA-N 1 0 424.586 2.130 20 0 HEADRO CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC000768812067 1080788296 /nfs/dbraw/zinc/78/82/96/1080788296.db2.gz NPVZPAKKQIMEAO-UHFFFAOYSA-N 1 0 407.486 2.107 20 0 HEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000786758725 1080802649 /nfs/dbraw/zinc/80/26/49/1080802649.db2.gz STSLWOMUFIQFTJ-FGZHOGPDSA-N 1 0 424.545 2.059 20 0 HEADRO COC(=O)c1sccc1NC(=O)COC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000786830752 1080828250 /nfs/dbraw/zinc/82/82/50/1080828250.db2.gz XRAYBWUOCGOTHC-UHFFFAOYSA-N 1 0 402.472 2.465 20 0 HEADRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786831378 1080828299 /nfs/dbraw/zinc/82/82/99/1080828299.db2.gz IHIBXDIMSJKGNA-OAHLLOKOSA-N 1 0 403.504 2.349 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)CC1 ZINC001169997526 1080841442 /nfs/dbraw/zinc/84/14/42/1080841442.db2.gz AVOCKJAGVYNNPJ-CVEARBPZSA-N 1 0 408.461 2.074 20 0 HEADRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000786824175 1080846337 /nfs/dbraw/zinc/84/63/37/1080846337.db2.gz DWTYIAOCFAXIAN-YLJYHZDGSA-N 1 0 416.518 2.168 20 0 HEADRO CC(C)Oc1cccc(CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000786847613 1080848887 /nfs/dbraw/zinc/84/88/87/1080848887.db2.gz ZEJHGAISZBDTBE-UHFFFAOYSA-N 1 0 417.550 2.193 20 0 HEADRO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786855093 1080853197 /nfs/dbraw/zinc/85/31/97/1080853197.db2.gz XVYBYGTVZXQJLO-LJQANCHMSA-N 1 0 421.545 2.211 20 0 HEADRO C[NH+]1CCN(c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3(C)C)ccn2)CC1 ZINC000746613214 1080860596 /nfs/dbraw/zinc/86/05/96/1080860596.db2.gz RUEDOTIPRRNXGE-UHFFFAOYSA-N 1 0 417.554 2.305 20 0 HEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc3nc(Cl)sc3c2)CC1 ZINC000786868392 1080861562 /nfs/dbraw/zinc/86/15/62/1080861562.db2.gz DHEBPIPQFUHRAI-GFCCVEGCSA-N 1 0 402.973 2.254 20 0 HEADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786889745 1080870877 /nfs/dbraw/zinc/87/08/77/1080870877.db2.gz PJUXBKUDIACCDF-UTKZUKDTSA-N 1 0 410.518 2.241 20 0 HEADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786892251 1080871484 /nfs/dbraw/zinc/87/14/84/1080871484.db2.gz YUZJDQMQJHMXFT-MRXNPFEDSA-N 1 0 408.568 2.317 20 0 HEADRO COCCOC(=O)Nc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000768977269 1080871614 /nfs/dbraw/zinc/87/16/14/1080871614.db2.gz QXTGTETTXCIZJF-OALUTQOASA-N 1 0 420.510 2.381 20 0 HEADRO [NH3+]CCN(c1cc(Cl)cn2ncnc12)S(=O)(=O)c1cccc2cnccc21 ZINC001170065323 1080877011 /nfs/dbraw/zinc/87/70/11/1080877011.db2.gz BRCUGUGQJILFET-UHFFFAOYSA-N 1 0 402.867 2.085 20 0 HEADRO CCc1cnc(CNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)s1 ZINC000743974179 1080879886 /nfs/dbraw/zinc/87/98/86/1080879886.db2.gz 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HEADRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000786885212 1080886050 /nfs/dbraw/zinc/88/60/50/1080886050.db2.gz WKWVXKNIYGFSLX-HNNXBMFYSA-N 1 0 403.435 2.014 20 0 HEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)C1 ZINC000743993559 1080886492 /nfs/dbraw/zinc/88/64/92/1080886492.db2.gz SVSOFMISVGBNOM-CQSZACIVSA-N 1 0 424.427 2.167 20 0 HEADRO COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786886947 1080887509 /nfs/dbraw/zinc/88/75/09/1080887509.db2.gz XBXUYCHHPKVQEM-CYBMUJFWSA-N 1 0 410.492 2.354 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC001169998387 1080892939 /nfs/dbraw/zinc/89/29/39/1080892939.db2.gz MNGNNGFUARBPMW-KRWDZBQOSA-N 1 0 413.559 2.020 20 0 HEADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC(=O)C3CC3)c(OC)c2)C1 ZINC000769005677 1080896972 /nfs/dbraw/zinc/89/69/72/1080896972.db2.gz NBDPSCHBSIOELC-CRAIPNDOSA-N 1 0 404.507 2.374 20 0 HEADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(OC(=O)C3CC3)c(OC)c2)C1 ZINC000769005689 1080897009 /nfs/dbraw/zinc/89/70/09/1080897009.db2.gz NBDPSCHBSIOELC-YJBOKZPZSA-N 1 0 404.507 2.374 20 0 HEADRO COc1ccc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)cc1S(=O)(=O)N(C)C ZINC000769064908 1080921097 /nfs/dbraw/zinc/92/10/97/1080921097.db2.gz NIMJHLXGZVUBRB-UHFFFAOYSA-N 1 0 424.494 2.373 20 0 HEADRO C[NH+](C)Cc1ccccc1CNC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769077888 1080929031 /nfs/dbraw/zinc/92/90/31/1080929031.db2.gz SXIIPPHXVUGSJX-UHFFFAOYSA-N 1 0 404.555 2.354 20 0 HEADRO CC(C)c1nc2c(ncnc2N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)[nH]1 ZINC001170066394 1080934475 /nfs/dbraw/zinc/93/44/75/1080934475.db2.gz OYHWTXRPXPRZKL-UHFFFAOYSA-N 1 0 411.491 2.179 20 0 HEADRO CCCN(C(=O)NC[C@H]1C[N@H+](C)CCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000769106047 1080936227 /nfs/dbraw/zinc/93/62/27/1080936227.db2.gz BIEYMHKKOCAXOM-SFHVURJKSA-N 1 0 411.591 2.053 20 0 HEADRO C[C@]1(CNC(=O)C(=O)NCCn2cnc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000786985710 1080940195 /nfs/dbraw/zinc/94/01/95/1080940195.db2.gz OZAVTFJREYDCDO-XMMPIXPASA-N 1 0 419.529 2.181 20 0 HEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000769120635 1080941917 /nfs/dbraw/zinc/94/19/17/1080941917.db2.gz CWGSDRDJBAPHPI-QZTJIDSGSA-N 1 0 410.603 2.460 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000769153705 1080971798 /nfs/dbraw/zinc/97/17/98/1080971798.db2.gz JRZMRWIGMQUTFH-NEWSRXKRSA-N 1 0 424.586 2.311 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000769156865 1080974754 /nfs/dbraw/zinc/97/47/54/1080974754.db2.gz UMFGSQNCHYYWBF-OALUTQOASA-N 1 0 424.586 2.311 20 0 HEADRO CC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H](O)c1c(F)cccc1F ZINC000769156136 1080975486 /nfs/dbraw/zinc/97/54/86/1080975486.db2.gz RUSRPZPCQVGIFU-HLNWXESRSA-N 1 0 411.493 2.454 20 0 HEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000769157524 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C[N@H+](CC(=O)NC(=O)NCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661444 1081043768 /nfs/dbraw/zinc/04/37/68/1081043768.db2.gz IBCOSEVTKJVAEM-UHFFFAOYSA-N 1 0 404.511 2.344 20 0 HEADRO C[C@H](CNC(=O)C(=O)NCc1cccc(OCc2ccccn2)c1)[NH+]1CCCCC1 ZINC000787177948 1081045809 /nfs/dbraw/zinc/04/58/09/1081045809.db2.gz PCTVOLNMHBPOAU-GOSISDBHSA-N 1 0 410.518 2.267 20 0 HEADRO CN(CCc1ccccc1F)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000787178487 1081046424 /nfs/dbraw/zinc/04/64/24/1081046424.db2.gz XEUWSSWBQHHMHZ-UHFFFAOYSA-N 1 0 401.482 2.083 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000769367759 1081055059 /nfs/dbraw/zinc/05/50/59/1081055059.db2.gz HEXOCSXOLXCHAC-KRWDZBQOSA-N 1 0 409.477 2.332 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000769367762 1081055131 /nfs/dbraw/zinc/05/51/31/1081055131.db2.gz HEXOCSXOLXCHAC-QGZVFWFLSA-N 1 0 409.477 2.332 20 0 HEADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000787191939 1081056216 /nfs/dbraw/zinc/05/62/16/1081056216.db2.gz HOVKQDANXNDOTG-RBUKOAKNSA-N 1 0 403.523 2.217 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000769382031 1081058431 /nfs/dbraw/zinc/05/84/31/1081058431.db2.gz AZULACZQDYKZFH-YJBOKZPZSA-N 1 0 409.477 2.188 20 0 HEADRO CC(C)(C)OC(=O)NC1(CNC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CCC1 ZINC000787194261 1081058378 /nfs/dbraw/zinc/05/83/78/1081058378.db2.gz XSOAFGDPXGZGBG-UHFFFAOYSA-N 1 0 422.570 2.073 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000769383728 1081059365 /nfs/dbraw/zinc/05/93/65/1081059365.db2.gz QTLSAYBLLPFHGM-QGZVFWFLSA-N 1 0 423.504 2.436 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(OC(C)C)c(OC)c2)C[C@H]1C ZINC000787231810 1081080254 /nfs/dbraw/zinc/08/02/54/1081080254.db2.gz LXMQAGNIOAQICL-AEFFLSMTSA-N 1 0 405.539 2.430 20 0 HEADRO COc1cc(CNC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1OC(C)C ZINC000787232090 1081081043 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AQBPABXTJYRSET-NRFANRHFSA-N 1 0 409.534 2.437 20 0 HEADRO COc1ccc2nc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)cnc2c1 ZINC001170071553 1081095282 /nfs/dbraw/zinc/09/52/82/1081095282.db2.gz VYCYOHPONVNRSB-UHFFFAOYSA-N 1 0 409.471 2.341 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000787267487 1081100368 /nfs/dbraw/zinc/10/03/68/1081100368.db2.gz UCVRJXIHRPKGIG-KDOFPFPSSA-N 1 0 400.926 2.085 20 0 HEADRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC(=O)NCCc1ccccc1 ZINC000769509156 1081101157 /nfs/dbraw/zinc/10/11/57/1081101157.db2.gz JYGBZWSRTWCBCS-HKUYNNGSSA-N 1 0 405.539 2.349 20 0 HEADRO Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000787269279 1081101849 /nfs/dbraw/zinc/10/18/49/1081101849.db2.gz CMQNFTGJHRPOCR-IRXDYDNUSA-N 1 0 423.439 2.247 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000787272539 1081102994 /nfs/dbraw/zinc/10/29/94/1081102994.db2.gz UCDBTIORNIRBLI-JKSUJKDBSA-N 1 0 419.513 2.496 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000769528161 1081109577 /nfs/dbraw/zinc/10/95/77/1081109577.db2.gz TUGQWQZUJKHXOF-FGTMMUONSA-N 1 0 407.559 2.393 20 0 HEADRO CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000769590345 1081140239 /nfs/dbraw/zinc/14/02/39/1081140239.db2.gz CISGBKKVYVYVEY-KRWDZBQOSA-N 1 0 424.586 2.035 20 0 HEADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccn2c(Br)cnc12 ZINC000769632952 1081150970 /nfs/dbraw/zinc/15/09/70/1081150970.db2.gz FYSPSMOPTOKWCO-CQSZACIVSA-N 1 0 400.280 2.496 20 0 HEADRO c1cnc(-c2nc3sc4c(c3c(N3CCN5CC[NH2+]C[C@H]5C3)n2)CCCC4)cn1 ZINC001164408188 718842007 /nfs/dbraw/zinc/84/20/07/718842007.db2.gz YQEALPCDPFDQSW-AWEZNQCLSA-N 1 0 407.547 2.121 20 0 HEADRO COc1ccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164400117 718844208 /nfs/dbraw/zinc/84/42/08/718844208.db2.gz PYTAUQPBEIGQMY-CQSZACIVSA-N 1 0 409.868 2.444 20 0 HEADRO FC(F)(c1nc2ccsc2c(Cl)n1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 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CSc1cnc(Cl)nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718743 720184802 /nfs/dbraw/zinc/18/48/02/720184802.db2.gz PYRSMVUVAKJJQH-CQSZACIVSA-N 1 0 423.974 2.197 20 0 HEADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164814569 720205932 /nfs/dbraw/zinc/20/59/32/720205932.db2.gz UIUZNMOYQLIBMB-HRAATJIYSA-N 1 0 421.973 2.455 20 0 HEADRO CCOC(=O)c1ccc(C)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164812895 720208134 /nfs/dbraw/zinc/20/81/34/720208134.db2.gz NAVPPEKEFPDGFT-UHFFFAOYSA-N 1 0 413.522 2.374 20 0 HEADRO COC(=O)c1ccc(Cl)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164810278 720208824 /nfs/dbraw/zinc/20/88/24/720208824.db2.gz AWAJOYPNGIFRDS-UHFFFAOYSA-N 1 0 419.913 2.329 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3[nH]ccc31)CCC2 ZINC001164813516 720209586 /nfs/dbraw/zinc/20/95/86/720209586.db2.gz QMSIRAANDFIQTF-UHFFFAOYSA-N 1 0 401.902 2.419 20 0 HEADRO COC(=O)c1c(C)cc(C)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813398 720222050 /nfs/dbraw/zinc/22/20/50/720222050.db2.gz LFKMYDYQWJGJLD-UHFFFAOYSA-N 1 0 413.522 2.292 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(N(C)C)n1)CCC2 ZINC001164812761 720225323 /nfs/dbraw/zinc/22/53/23/720225323.db2.gz IVKLANWNPQBIMG-UHFFFAOYSA-N 1 0 405.934 2.003 20 0 HEADRO Cc1noc(-c2cccnc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164814471 720235801 /nfs/dbraw/zinc/23/58/01/720235801.db2.gz UJSFYFISOSWHMQ-UHFFFAOYSA-N 1 0 409.494 2.247 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccccn3)nn1)CCC2 ZINC001164814010 720239837 /nfs/dbraw/zinc/23/98/37/720239837.db2.gz SYPZWDLMAXLGAQ-UHFFFAOYSA-N 1 0 405.506 2.346 20 0 HEADRO COc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164821208 720285043 /nfs/dbraw/zinc/28/50/43/720285043.db2.gz ZDAUGJYQINULID-QZTJIDSGSA-N 1 0 416.570 2.217 20 0 HEADRO Cc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1N1CCCC1 ZINC001164817290 720286452 /nfs/dbraw/zinc/28/64/52/720286452.db2.gz CDKNTJHVJDBGIL-WOJBJXKFSA-N 1 0 412.582 2.297 20 0 HEADRO COC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164820513 720288711 /nfs/dbraw/zinc/28/87/11/720288711.db2.gz VWQDPPJWIJNGAN-DLBZAZTESA-N 1 0 420.941 2.433 20 0 HEADRO COC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164819287 720306389 /nfs/dbraw/zinc/30/63/89/720306389.db2.gz DJHICWRQNREQDT-OALUTQOASA-N 1 0 400.523 2.088 20 0 HEADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C)c1 ZINC001164825331 720307835 /nfs/dbraw/zinc/30/78/35/720307835.db2.gz TVCMBOVHCYIYEQ-PMACEKPBSA-N 1 0 414.550 2.478 20 0 HEADRO COC(=O)c1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164830845 720316205 /nfs/dbraw/zinc/31/62/05/720316205.db2.gz QDSLOCDXGMPVDK-SJORKVTESA-N 1 0 420.941 2.433 20 0 HEADRO CNC(=O)c1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164827909 720326026 /nfs/dbraw/zinc/32/60/26/720326026.db2.gz JAOQKBNBZCNWAN-IAGOWNOFSA-N 1 0 419.957 2.006 20 0 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O=C(NC1CCCC1)c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nn1 ZINC001164736137 720588304 /nfs/dbraw/zinc/58/83/04/720588304.db2.gz DPGSILLXYRVQCA-UHFFFAOYSA-N 1 0 409.538 2.004 20 0 HEADRO COCc1nc(OC)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839364 720643024 /nfs/dbraw/zinc/64/30/24/720643024.db2.gz NJLSPAACDJSGOC-FGTMMUONSA-N 1 0 400.527 2.206 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C(N)=O)nc(C4CC4)n3)CC[C@@H]21 ZINC001164843177 720648880 /nfs/dbraw/zinc/64/88/80/720648880.db2.gz UNTMZZZWFKBIMT-LNLFQRSKSA-N 1 0 409.538 2.027 20 0 HEADRO c1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C2SCCCS2)n1 ZINC001164742656 720666013 /nfs/dbraw/zinc/66/60/13/720666013.db2.gz WGMOWEZMEIYFFO-LSDHHAIUSA-N 1 0 416.576 2.477 20 0 HEADRO Clc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742633 720667621 /nfs/dbraw/zinc/66/76/21/720667621.db2.gz WERIESRKVZZHFF-HZPDHXFCSA-N 1 0 409.881 2.324 20 0 HEADRO 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C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4[nH]c5cc(F)ccc5c42)CC3)CC1 ZINC001164795410 721522569 /nfs/dbraw/zinc/52/25/69/721522569.db2.gz OSUHCCYEBNWSMZ-UHFFFAOYSA-N 1 0 420.496 2.214 20 0 HEADRO CCOC(=O)c1cnc(C)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900024 721524335 /nfs/dbraw/zinc/52/43/35/721524335.db2.gz NDQJRMHJGQIHLC-WMZOPIPTSA-N 1 0 400.454 2.443 20 0 HEADRO CCOC(=O)Cc1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164800587 721535531 /nfs/dbraw/zinc/53/55/31/721535531.db2.gz CNDQWUNAOQGKBE-ONTIZHBOSA-N 1 0 410.518 2.450 20 0 HEADRO CCOC(=O)c1c(C)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902852 721535905 /nfs/dbraw/zinc/53/59/05/721535905.db2.gz BMGZCUYJSJLALW-SJLPKXTDSA-N 1 0 400.454 2.443 20 0 HEADRO COC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1F ZINC001164809501 721544685 /nfs/dbraw/zinc/54/46/85/721544685.db2.gz UZCPKPQWRXMOCM-BJLQDIEVSA-N 1 0 400.454 2.271 20 0 HEADRO O=c1ccccn1-c1nccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903144 721557706 /nfs/dbraw/zinc/55/77/06/721557706.db2.gz AZXOONIORAFGMM-MJGOQNOKSA-N 1 0 407.449 2.109 20 0 HEADRO CNC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1Cl ZINC001164804038 721563260 /nfs/dbraw/zinc/56/32/60/721563260.db2.gz KZQFJDQZDAAVJN-UWVAXJGDSA-N 1 0 415.925 2.358 20 0 HEADRO Cc1cn(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)cn1 ZINC001164801599 721567459 /nfs/dbraw/zinc/56/74/59/721567459.db2.gz GXRSEFPVRCWELY-IPJJNNNSSA-N 1 0 405.506 2.234 20 0 HEADRO CCNC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164908046 721568213 /nfs/dbraw/zinc/56/82/13/721568213.db2.gz PMKZRUXCKIJNLF-HOCLYGCPSA-N 1 0 419.888 2.361 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)nc1 ZINC001164805007 721599285 /nfs/dbraw/zinc/59/92/85/721599285.db2.gz ZKBWUILRZSEJEF-GFOJFJKKSA-N 1 0 422.533 2.052 20 0 HEADRO Cc1cccc(CN2CCO[C@H]3CN(c4cc(C[NH+](C)C)ccn4)CC[C@H]3C2=O)n1 ZINC001164799415 721603248 /nfs/dbraw/zinc/60/32/48/721603248.db2.gz KETJPPCSLVIMIX-RTWAWAEBSA-N 1 0 409.534 2.101 20 0 HEADRO COC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164908285 721692007 /nfs/dbraw/zinc/69/20/07/721692007.db2.gz YFHBWKXWBYXIIS-IBGZPJMESA-N 1 0 403.433 2.396 20 0 HEADRO NC(=O)c1cc(F)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906254 721719170 /nfs/dbraw/zinc/71/91/70/721719170.db2.gz LTSPVGYPLYLUSY-IBGZPJMESA-N 1 0 405.424 2.452 20 0 HEADRO CCOC(=O)c1cc(Cl)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1 ZINC001165009736 721728653 /nfs/dbraw/zinc/72/86/53/721728653.db2.gz ZKFYSAMMHDBAGQ-UHFFFAOYSA-N 1 0 408.930 2.435 20 0 HEADRO CSc1nc2ncnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2s1 ZINC001165009655 721740924 /nfs/dbraw/zinc/74/09/24/721740924.db2.gz HNXXWPBDVAUBGG-UHFFFAOYSA-N 1 0 406.581 2.331 20 0 HEADRO COC(=O)c1cc(Cl)c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1C ZINC001165012137 721749303 /nfs/dbraw/zinc/74/93/03/721749303.db2.gz AGJOZHQXCUMWGX-UHFFFAOYSA-N 1 0 408.930 2.353 20 0 HEADRO Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]ccc5c4ccn5C)CCO3)C2)cs1 ZINC001164924701 721825461 /nfs/dbraw/zinc/82/54/61/721825461.db2.gz OCRNHYVNSPKBNQ-OAQYLSRUSA-N 1 0 413.547 2.446 20 0 HEADRO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N(C)C)cc[nH+]4)CCO3)C2)cs1 ZINC001164923591 721827353 /nfs/dbraw/zinc/82/73/53/721827353.db2.gz KHAGMRMOJYSJHL-FQEVSTJZSA-N 1 0 403.552 2.020 20 0 HEADRO C[NH+](C)Cc1ccnc(N2CCC[C@]3(C2)COCCN(c2ncc(F)cn2)C3)c1 ZINC001164921221 721846252 /nfs/dbraw/zinc/84/62/52/721846252.db2.gz NLDNKXGURKXULH-OAQYLSRUSA-N 1 0 400.502 2.196 20 0 HEADRO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nc2c1 ZINC001164932732 721850852 /nfs/dbraw/zinc/85/08/52/721850852.db2.gz ZTNHAZPRYNQOBN-SJORKVTESA-N 1 0 403.914 2.284 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001164925320 721852395 /nfs/dbraw/zinc/85/23/95/721852395.db2.gz DYNPNBXLOPKBQD-DHIUTWEWSA-N 1 0 406.578 2.250 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncnc2c1CCN(Cc1ccccc1)C2 ZINC001164923389 721860625 /nfs/dbraw/zinc/86/06/25/721860625.db2.gz AGTPSQOZZCOLHT-DHIUTWEWSA-N 1 0 406.578 2.250 20 0 HEADRO Cc1cc2nc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)nc(N3CCOCC3)c2s1 ZINC001164921898 721869833 /nfs/dbraw/zinc/86/98/33/721869833.db2.gz DNDLPPRHGIEMHF-ZWKOTPCHSA-N 1 0 416.595 2.051 20 0 HEADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001164926349 721875581 /nfs/dbraw/zinc/87/55/81/721875581.db2.gz RQRQQOQHEBOREW-HUUCEWRRSA-N 1 0 402.873 2.281 20 0 HEADRO O=C(CO[C@H]1CO[C@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1)N1CCCC1 ZINC001164939552 721918747 /nfs/dbraw/zinc/91/87/47/721918747.db2.gz UPSZYWVIVRFRHF-NFBKMPQASA-N 1 0 414.550 2.054 20 0 HEADRO C[N@H+](Cc1ccc(N2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164939527 721919021 /nfs/dbraw/zinc/91/90/21/721919021.db2.gz UNOFBBLRAKUNCA-OFNKIYASSA-N 1 0 414.550 2.053 20 0 HEADRO O=C(N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@H]2CCCO[C@H]12)c1cscn1 ZINC001164952284 722002205 /nfs/dbraw/zinc/00/22/05/722002205.db2.gz RBWLVMWNZNRPOS-NZSAHSFTSA-N 1 0 413.547 2.300 20 0 HEADRO O=C(c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1)N1CCOCC1 ZINC001164954827 722013147 /nfs/dbraw/zinc/01/31/47/722013147.db2.gz OVQMPBACAVSKTC-UHFFFAOYSA-N 1 0 421.545 2.442 20 0 HEADRO C[C@@H]1C(=O)Nc2cnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2N1C ZINC001164952215 722018293 /nfs/dbraw/zinc/01/82/93/722018293.db2.gz JORHOAHIMFEAFF-MRXNPFEDSA-N 1 0 407.522 2.141 20 0 HEADRO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3C[N@@H+](C(C)(C)c4ccnc(Cl)c4)CC[C@H]32)cn1 ZINC001164956067 722032322 /nfs/dbraw/zinc/03/23/22/722032322.db2.gz BNEJEGMIZZRKBH-NXHRZFHOSA-N 1 0 417.941 2.471 20 0 HEADRO COc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc2c1ccn2C ZINC001164965525 722061908 /nfs/dbraw/zinc/06/19/08/722061908.db2.gz KKTNZCUAKMBAQP-UHFFFAOYSA-N 1 0 422.533 2.491 20 0 HEADRO CC(C)C(=O)N1CCN(c2ncccc2C[NH+]2CCCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001164975785 722088729 /nfs/dbraw/zinc/08/87/29/722088729.db2.gz UTYHZXZZHORUTF-HSZRJFAPSA-N 1 0 413.566 2.021 20 0 HEADRO COC(=O)c1cc(F)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986185 722101999 /nfs/dbraw/zinc/10/19/99/722101999.db2.gz YGSIMCSPPDINMM-VQIMIIECSA-N 1 0 400.454 2.130 20 0 HEADRO CCOC(=O)c1cc(C)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982084 722108220 /nfs/dbraw/zinc/10/82/20/722108220.db2.gz VXORNHXRRYRLIK-ICSRJNTNSA-N 1 0 411.506 2.084 20 0 HEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(C)c(C5C[NH2+]C5)n4)CC[C@H]32)cs1 ZINC001164989686 722186819 /nfs/dbraw/zinc/18/68/19/722186819.db2.gz PPNJKVUJQRZCSY-RTBURBONSA-N 1 0 414.579 2.107 20 0 HEADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nccc(C3CC[NH2+]CC3)n1)C2 ZINC001165006935 722266606 /nfs/dbraw/zinc/26/66/06/722266606.db2.gz ORKHYUGJJMMBLK-HSZRJFAPSA-N 1 0 424.524 2.010 20 0 HEADRO C[NH+](C)C[C@H](O)CN[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000769686488 1078480781 /nfs/dbraw/zinc/48/07/81/1078480781.db2.gz IWUZZLQJYCFUCL-NRJQMVOHSA-N 1 0 405.539 2.402 20 0 HEADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000769649290 1078484401 /nfs/dbraw/zinc/48/44/01/1078484401.db2.gz QMHXUXGNHCBYGK-FQEVSTJZSA-N 1 0 423.579 2.296 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769745787 1078557444 /nfs/dbraw/zinc/55/74/44/1078557444.db2.gz DTUBSEYIWUQVTP-UHFFFAOYSA-N 1 0 404.555 2.368 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2SCCc3sccc32)C1 ZINC000745638518 1078570233 /nfs/dbraw/zinc/57/02/33/1078570233.db2.gz XCKVHQNZVFTHKU-KBXCAEBGSA-N 1 0 412.577 2.095 20 0 HEADRO NS(=O)(=O)c1ccc(OCC[NH+]2CCC(O)(c3ccccc3Cl)CC2)cc1 ZINC000769815414 1078574299 /nfs/dbraw/zinc/57/42/99/1078574299.db2.gz QAVYMWWQJFTEFS-UHFFFAOYSA-N 1 0 410.923 2.350 20 0 HEADRO COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000769845884 1078605474 /nfs/dbraw/zinc/60/54/74/1078605474.db2.gz DUJXRFZXCUNDEM-UHFFFAOYSA-N 1 0 421.494 2.473 20 0 HEADRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2cn(C)c(Cl)n2)CCOCC1)c1ccccc1 ZINC000769898421 1078619751 /nfs/dbraw/zinc/61/97/51/1078619751.db2.gz BRFMVKITVBGPLI-AWEZNQCLSA-N 1 0 412.943 2.252 20 0 HEADRO Cc1ccc2c(CCC(=O)OCC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)c[nH]c2c1 ZINC000745761548 1078627385 /nfs/dbraw/zinc/62/73/85/1078627385.db2.gz UFEWNRRHWFEWES-IBGZPJMESA-N 1 0 415.534 2.425 20 0 HEADRO CCOC(=O)C1=C(C[NH2+][C@@](C)(CC)COc2ncccc2Cl)NC(=O)N[C@@H]1C ZINC000769917496 1078633682 /nfs/dbraw/zinc/63/36/82/1078633682.db2.gz DMNSWPDJBZIDKG-BLVKFPJESA-N 1 0 410.902 2.391 20 0 HEADRO C[C@H](NC(=O)NC[C@](C)(O)c1ccco1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000745794487 1078649888 /nfs/dbraw/zinc/64/98/88/1078649888.db2.gz BYHBJGJNIAPNMI-BTYIYWSLSA-N 1 0 404.486 2.438 20 0 HEADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCC[C@@H](O)c3ccccc3)c2)C1 ZINC000745810071 1078656420 /nfs/dbraw/zinc/65/64/20/1078656420.db2.gz WQMBJQFURNCSLI-FCHUYYIVSA-N 1 0 424.545 2.307 20 0 HEADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](CC3CCC3)C(C)C)C2=O)c1 ZINC000769928657 1078661776 /nfs/dbraw/zinc/66/17/76/1078661776.db2.gz UIMLWYATEQJWFI-NRFANRHFSA-N 1 0 402.495 2.004 20 0 HEADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000769934937 1078663900 /nfs/dbraw/zinc/66/39/00/1078663900.db2.gz KIZWDUWVWRFXQJ-KRWDZBQOSA-N 1 0 411.930 2.371 20 0 HEADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000769934938 1078664365 /nfs/dbraw/zinc/66/43/65/1078664365.db2.gz KIZWDUWVWRFXQJ-QGZVFWFLSA-N 1 0 411.930 2.371 20 0 HEADRO CN(CCC1CC[NH+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000769939987 1078666006 /nfs/dbraw/zinc/66/60/06/1078666006.db2.gz JHHJALLJXJVZHS-SFHVURJKSA-N 1 0 405.543 2.494 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(CCS(C)(=O)=O)C(C)(C)C)CC1 ZINC000769940776 1078666412 /nfs/dbraw/zinc/66/64/12/1078666412.db2.gz IQRDEUIACGXDST-UHFFFAOYSA-N 1 0 423.623 2.221 20 0 HEADRO Cc1ccc(N2CC[C@@H](NC(=O)N3CCC(OCC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000745853229 1078671250 /nfs/dbraw/zinc/67/12/50/1078671250.db2.gz GFYUUPZUTYDSPT-OAQYLSRUSA-N 1 0 414.550 2.387 20 0 HEADRO Cc1ccc(N2CC[C@@H](NC(=O)NC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000745858865 1078675918 /nfs/dbraw/zinc/67/59/18/1078675918.db2.gz MWWCUQUNWUDXBS-ZJSXRUAMSA-N 1 0 422.529 2.037 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H](O)c2cccc(OC(C)C)c2)CC1 ZINC000745861221 1078676473 /nfs/dbraw/zinc/67/64/73/1078676473.db2.gz APZSKFDMPWMGJE-NQIIRXRSSA-N 1 0 406.571 2.080 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)CC1 ZINC000745861225 1078677055 /nfs/dbraw/zinc/67/70/55/1078677055.db2.gz APZSKFDMPWMGJE-WIYYLYMNSA-N 1 0 406.571 2.080 20 0 HEADRO CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000745890069 1078679307 /nfs/dbraw/zinc/67/93/07/1078679307.db2.gz NOPNRQUITMCFQG-YQQQUEKLSA-N 1 0 423.602 2.196 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)C2=O)cc1 ZINC000745879724 1078683559 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CNWPYWXDYDMKMI-WMLDXEAASA-N 1 0 403.504 2.167 20 0 HEADRO C[C@H]([NH2+]C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC001168801253 1079041598 /nfs/dbraw/zinc/04/15/98/1079041598.db2.gz NRRLHPRSEHLFKF-LIRRHRJNSA-N 1 0 400.541 2.359 20 0 HEADRO C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3ccccn3)CC2)CN1C(=O)OC(C)(C)C ZINC001168822666 1079046437 /nfs/dbraw/zinc/04/64/37/1079046437.db2.gz IRHVSUYWDOLCEP-RDJZCZTQSA-N 1 0 424.567 2.222 20 0 HEADRO C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168859361 1079055213 /nfs/dbraw/zinc/05/52/13/1079055213.db2.gz RRNRTFBYTSHNQK-WJFTUGDTSA-N 1 0 417.554 2.402 20 0 HEADRO C[C@@H]1C[C@H]([N@@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168857900 1079054388 /nfs/dbraw/zinc/05/43/88/1079054388.db2.gz OHCHTDGDAOJWKM-KGVIQGDOSA-N 1 0 417.554 2.403 20 0 HEADRO C[C@@H]1C[C@H]([N@H+]2CCc3ncc(Cn4cccn4)n3CC2)CN1C(=O)OC(C)(C)C ZINC001168858433 1079054784 /nfs/dbraw/zinc/05/47/84/1079054784.db2.gz QFKVSOWVKIHMKO-SJORKVTESA-N 1 0 400.527 2.384 20 0 HEADRO 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 1079057719 /nfs/dbraw/zinc/05/77/19/1079057719.db2.gz MRPNEPZLHSDNPU-GFEQUFNTSA-N 1 0 404.559 2.071 20 0 HEADRO 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 1079058161 /nfs/dbraw/zinc/05/81/61/1079058161.db2.gz QPWUZXAFQOBXCN-VWKPWSFCSA-N 1 0 403.527 2.247 20 0 HEADRO COC(=O)c1ccccc1Oc1nccc(-n2nnc(-c3cccc(C[NH3+])c3)n2)n1 ZINC001168878399 1079066759 /nfs/dbraw/zinc/06/67/59/1079066759.db2.gz SWGNXGDBAOEAIO-UHFFFAOYSA-N 1 0 403.402 2.157 20 0 HEADRO 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 1079059052 /nfs/dbraw/zinc/05/90/52/1079059052.db2.gz VRBZDYWEZWFVPF-VXCZRNDOSA-N 1 0 407.555 2.392 20 0 HEADRO C[C@H]1C[C@@H]([N@@H+]2CCc3ncnc(N4CCOCC4)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168850588 1079061566 /nfs/dbraw/zinc/06/15/66/1079061566.db2.gz QPOKYIUSBIEFIB-DLBZAZTESA-N 1 0 417.554 2.112 20 0 HEADRO C[C@@H]1CN(C(=O)NCc2ccc(-n3cncn3)nc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000766521274 1079067100 /nfs/dbraw/zinc/06/71/00/1079067100.db2.gz HEODFUQFFCTIOF-MSOLQXFVSA-N 1 0 405.506 2.467 20 0 HEADRO COC(=O)[C@H](O)[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)c1ccccc1 ZINC001168892726 1079063010 /nfs/dbraw/zinc/06/30/10/1079063010.db2.gz MMYMSOFGGZIGSQ-BVYCBKJFSA-N 1 0 412.486 2.051 20 0 HEADRO COc1ccc(CN2CC[C@H](N(c3cccc(C[NH3+])c3)S(C)(=O)=O)CC2=O)cc1 ZINC001168893156 1079063324 /nfs/dbraw/zinc/06/33/24/1079063324.db2.gz OVJDAOZBASHZTE-IBGZPJMESA-N 1 0 417.531 2.111 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 ZINC001168893501 1079063349 /nfs/dbraw/zinc/06/33/49/1079063349.db2.gz PMIRRDBTWNJLBF-GOSISDBHSA-N 1 0 402.516 2.380 20 0 HEADRO CC(C)[N@H+](C[C@H](O)COc1ccc(CC(N)=O)cc1)C[C@@H]1COC2(CCCCC2)O1 ZINC001168873247 1079065508 /nfs/dbraw/zinc/06/55/08/1079065508.db2.gz MJPYWDWSRKPZEY-PZJWPPBQSA-N 1 0 420.550 2.240 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)CC2=O)cc1 ZINC001168926592 1079069727 /nfs/dbraw/zinc/06/97/27/1079069727.db2.gz KPWQAJRSSIZIDI-ZCNNSNEGSA-N 1 0 407.514 2.467 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2CC23CCOCC3)C[C@H]1C(=O)N1CCSC1 ZINC001170019034 1079070725 /nfs/dbraw/zinc/07/07/25/1079070725.db2.gz CCUNWAAZHPZBSW-OWCLPIDISA-N 1 0 411.568 2.056 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]CCCCCCN3C(=O)C=CC3=O)CC2=O)cc1 ZINC001168903046 1079071389 /nfs/dbraw/zinc/07/13/89/1079071389.db2.gz XFQXOOWZNCEOAU-LJQANCHMSA-N 1 0 413.518 2.261 20 0 HEADRO Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)n1 ZINC001170019507 1079084405 /nfs/dbraw/zinc/08/44/05/1079084405.db2.gz XAUIJDMCLDZDHR-PKOBYXMFSA-N 1 0 410.478 2.063 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CCN(Cc4ccccc4)[C@H](CO)C3)CC2=O)cc1 ZINC001168927899 1079086574 /nfs/dbraw/zinc/08/65/74/1079086574.db2.gz VEGQEILNVQKMHW-PKTZIBPZSA-N 1 0 423.557 2.365 20 0 HEADRO COCCOC(=O)Nc1cccc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000746167412 1079092401 /nfs/dbraw/zinc/09/24/01/1079092401.db2.gz XCBFWHXCNXYDAO-QFIPXVFZSA-N 1 0 413.474 2.457 20 0 HEADRO Cc1nc(CC[NH3+])nn1-c1ncc(C(=O)OCc2ccccc2)c(C(F)(F)F)n1 ZINC001168983313 1079089840 /nfs/dbraw/zinc/08/98/40/1079089840.db2.gz OCIJJIZNHZKLJF-UHFFFAOYSA-N 1 0 406.368 2.243 20 0 HEADRO CC(C)c1ccc(C[C@H]2CC[N@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)cc1 ZINC001168968662 1079093336 /nfs/dbraw/zinc/09/33/36/1079093336.db2.gz LGBLWLWTQMPFIJ-LJQANCHMSA-N 1 0 421.607 2.215 20 0 HEADRO Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccnc(-n4ccnc4)c3)CC2)c1 ZINC000746175254 1079093484 /nfs/dbraw/zinc/09/34/84/1079093484.db2.gz RMPULHXNDKYQQI-UHFFFAOYSA-N 1 0 404.518 2.404 20 0 HEADRO COC(=O)[C@@H]1Cc2cc(-n3c(CCC[NH3+])nc4ccc(Cl)cc43)cnc2NC1=O ZINC001168994483 1079095400 /nfs/dbraw/zinc/09/54/00/1079095400.db2.gz DPYJUUGVZCNBMF-CQSZACIVSA-N 1 0 413.865 2.249 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000771041376 1079099853 /nfs/dbraw/zinc/09/98/53/1079099853.db2.gz WMNZQOXIUSNMQN-OAQYLSRUSA-N 1 0 415.534 2.405 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cccnc2F)C[C@H]1C(=O)N1CCSC1 ZINC001170020556 1079106852 /nfs/dbraw/zinc/10/68/52/1079106852.db2.gz QAQISGAUABHEFY-GJZGRUSLSA-N 1 0 410.515 2.221 20 0 HEADRO CCOC(=O)[C@H](Nc1cccc2c1CC[C@@H]2[NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169042686 1079109240 /nfs/dbraw/zinc/10/92/40/1079109240.db2.gz ISVZULGFCXAZCA-SXLOBPIMSA-N 1 0 418.515 2.113 20 0 HEADRO CCOC(=O)[C@H](Nc1ccc2[nH]c(C)[nH+]c2c1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169044976 1079110774 /nfs/dbraw/zinc/11/07/74/1079110774.db2.gz RSCQITWAZZYTAB-MOPGFXCFSA-N 1 0 417.487 2.352 20 0 HEADRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)cn1 ZINC001170021124 1079116897 /nfs/dbraw/zinc/11/68/97/1079116897.db2.gz VSBAZGAOHCXEJO-CVEARBPZSA-N 1 0 422.551 2.091 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000766590959 1079128987 /nfs/dbraw/zinc/12/89/87/1079128987.db2.gz CWGJHSVZMZUNBY-UHFFFAOYSA-N 1 0 420.529 2.181 20 0 HEADRO COC(=O)[C@H](C[NH3+])Cc1ccc(N[C@@H](CO)[C@@H](O)c2ccc(SC)cc2)cc1 ZINC001169089455 1079138162 /nfs/dbraw/zinc/13/81/62/1079138162.db2.gz MSODPMCAGFOMJL-VDGAXYAQSA-N 1 0 404.532 2.205 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC[C@@H]21 ZINC000766581892 1079132247 /nfs/dbraw/zinc/13/22/47/1079132247.db2.gz GRMGAEUCPZXSGT-KDOFPFPSSA-N 1 0 406.477 2.446 20 0 HEADRO COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000766587187 1079136724 /nfs/dbraw/zinc/13/67/24/1079136724.db2.gz WUFSNBCZGGKVJC-CRAIPNDOSA-N 1 0 401.507 2.018 20 0 HEADRO COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000766587189 1079136810 /nfs/dbraw/zinc/13/68/10/1079136810.db2.gz WUFSNBCZGGKVJC-QAPCUYQASA-N 1 0 401.507 2.018 20 0 HEADRO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000766586729 1079137179 /nfs/dbraw/zinc/13/71/79/1079137179.db2.gz VGGCTTJUMDNAOS-VQIMIIECSA-N 1 0 400.523 2.050 20 0 HEADRO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766587455 1079139254 /nfs/dbraw/zinc/13/92/54/1079139254.db2.gz YXNGTYOEYJCDGT-CJNGLKHVSA-N 1 0 406.595 2.349 20 0 HEADRO COC(=O)c1cn(C2CC[NH+](CC[C@@H]3Sc4ccccc4NC3=O)CC2)nn1 ZINC001169092070 1079140131 /nfs/dbraw/zinc/14/01/31/1079140131.db2.gz SPHFCKMSLZQPGE-KRWDZBQOSA-N 1 0 401.492 2.205 20 0 HEADRO COC(=O)[C@](C)(N)Cc1cn(-c2ccc(CN3CC[NH2+]CC3)cc2)c2ccccc12 ZINC001169116514 1079140622 /nfs/dbraw/zinc/14/06/22/1079140622.db2.gz XWDKSOAKFOISLI-XMMPIXPASA-N 1 0 406.530 2.469 20 0 HEADRO COC(=O)[C@@](C)(N)Cc1cn(-c2ccc3c(C4C[NH2+]C4)ncn3c2)c2ccccc12 ZINC001169116636 1079140646 /nfs/dbraw/zinc/14/06/46/1079140646.db2.gz YOHFKMKGKPZEAI-QHCPKHFHSA-N 1 0 403.486 2.398 20 0 HEADRO C[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)[NH+]1CCCCC1 ZINC000771121311 1079141994 /nfs/dbraw/zinc/14/19/94/1079141994.db2.gz IPCVVXBQQCRYJO-ZUOKHONESA-N 1 0 424.904 2.237 20 0 HEADRO CCC1(CC)[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C[C@@H]1OC ZINC000766600226 1079146568 /nfs/dbraw/zinc/14/65/68/1079146568.db2.gz GKJOLGJNMHDCRH-PMACEKPBSA-N 1 0 416.566 2.477 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000766603342 1079152799 /nfs/dbraw/zinc/15/27/99/1079152799.db2.gz GAJILPXTXDYTKZ-GOSISDBHSA-N 1 0 414.550 2.327 20 0 HEADRO COC(=O)[C@](C)(N)Cc1cn(-c2nccc(C[NH3+])c2C(OC)OC)c2ccccc12 ZINC001169109923 1079158016 /nfs/dbraw/zinc/15/80/16/1079158016.db2.gz AEVLEICTRBCUIS-JOCHJYFZSA-N 1 0 412.490 2.209 20 0 HEADRO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000771115843 1079159672 /nfs/dbraw/zinc/15/96/72/1079159672.db2.gz DOCYPHZFARWNTN-LJQANCHMSA-N 1 0 404.555 2.354 20 0 HEADRO COC(=O)[C@](C)(N)Cc1cn(-c2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)c2ccccc12 ZINC001169113223 1079160916 /nfs/dbraw/zinc/16/09/16/1079160916.db2.gz NQZRSQNPWYELHX-IQMFZBJNSA-N 1 0 418.501 2.183 20 0 HEADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000766595004 1079162679 /nfs/dbraw/zinc/16/26/79/1079162679.db2.gz PWXKMHMLDOVHCE-UHFFFAOYSA-N 1 0 404.511 2.408 20 0 HEADRO O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766608650 1079163367 /nfs/dbraw/zinc/16/33/67/1079163367.db2.gz UEGJIYIJHCOZMP-UHFFFAOYSA-N 1 0 422.529 2.312 20 0 HEADRO Cc1ccc(C)c(CC[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169160013 1079169182 /nfs/dbraw/zinc/16/91/82/1079169182.db2.gz ADMWMWNWMHNMJZ-SFHVURJKSA-N 1 0 411.550 2.442 20 0 HEADRO CC1(C)C[C@H](Nc2ccc(F)c(S(=O)(=O)NCc3cn[nH]n3)c2)C[C@@](C)(C[NH3+])C1 ZINC001169145719 1079165153 /nfs/dbraw/zinc/16/51/53/1079165153.db2.gz GUMXXDCSJNYVGR-IFXJQAMLSA-N 1 0 424.546 2.378 20 0 HEADRO 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 1079166749 /nfs/dbraw/zinc/16/67/49/1079166749.db2.gz WDXXRYLQUIXTTA-SFYKDHMMSA-N 1 0 417.550 2.446 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1c(C[NH3+])cc2ccccc21 ZINC001169161551 1079170570 /nfs/dbraw/zinc/17/05/70/1079170570.db2.gz FCAVJCOAYSOZIH-HNNXBMFYSA-N 1 0 408.506 2.279 20 0 HEADRO COC(=O)N(C)Cc1ccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1 ZINC000771156102 1079171013 /nfs/dbraw/zinc/17/10/13/1079171013.db2.gz DTZRUJBKUMYCQJ-UHFFFAOYSA-N 1 0 405.543 2.422 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001169162392 1079171253 /nfs/dbraw/zinc/17/12/53/1079171253.db2.gz LYXXYVBDFGSKFP-GFCCVEGCSA-N 1 0 423.439 2.200 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc2ccccc2cn1 ZINC001169166372 1079174880 /nfs/dbraw/zinc/17/48/80/1079174880.db2.gz BPPDZQVHGVGYHB-MRXNPFEDSA-N 1 0 420.517 2.331 20 0 HEADRO COc1cccc([C@H](C)[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169166859 1079175345 /nfs/dbraw/zinc/17/53/45/1079175345.db2.gz DLYIYNPGABRUTH-HOTGVXAUSA-N 1 0 413.522 2.352 20 0 HEADRO O=C(Nc1ccc(N2CCOC2=O)cc1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766606687 1079175365 /nfs/dbraw/zinc/17/53/65/1079175365.db2.gz PEKSGZQNTADVQY-UHFFFAOYSA-N 1 0 400.479 2.059 20 0 HEADRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169167233 1079175441 /nfs/dbraw/zinc/17/54/41/1079175441.db2.gz FKYJEGXYNLFYIM-HOTGVXAUSA-N 1 0 413.522 2.352 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCc2sccc21 ZINC001169196402 1079182302 /nfs/dbraw/zinc/18/23/02/1079182302.db2.gz NZYUFDUGLLGGDE-ZFWWWQNUSA-N 1 0 401.536 2.331 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001169203166 1079184395 /nfs/dbraw/zinc/18/43/95/1079184395.db2.gz UAUQBVKPWDBOEA-FUHWJXTLSA-N 1 0 410.522 2.225 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCSCc1ccco1 ZINC001169169087 1079184953 /nfs/dbraw/zinc/18/49/53/1079184953.db2.gz OQMXPIJTCJMQKG-OAHLLOKOSA-N 1 0 419.551 2.109 20 0 HEADRO CC(C)[C@@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccn1 ZINC001169171865 1079186754 /nfs/dbraw/zinc/18/67/54/1079186754.db2.gz HTXFABWHAAZIDY-SJLPKXTDSA-N 1 0 412.538 2.374 20 0 HEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771137512 1079187826 /nfs/dbraw/zinc/18/78/26/1079187826.db2.gz SONMUVYGWSVMAG-ZUOKHONESA-N 1 0 424.904 2.093 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCc1ccc(F)cc1 ZINC001169173102 1079188249 /nfs/dbraw/zinc/18/82/49/1079188249.db2.gz ZDOLDSBLQPDASD-MRXNPFEDSA-N 1 0 415.513 2.354 20 0 HEADRO CCOC(=O)[C@@H]1NC(=O)c2cc(-n3c(C)c(CC[NH3+])c4cc(OC)ccc43)ccc2O1 ZINC001169179987 1079193354 /nfs/dbraw/zinc/19/33/54/1079193354.db2.gz VYURMTXLZURBEU-JOCHJYFZSA-N 1 0 423.469 2.460 20 0 HEADRO CC[NH+](CC)C[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771146505 1079194629 /nfs/dbraw/zinc/19/46/29/1079194629.db2.gz TVQSDSHSYARHAL-BLVKFPJESA-N 1 0 412.893 2.093 20 0 HEADRO Cc1ccc(CC[N@@H+](C)[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC001169208908 1079195698 /nfs/dbraw/zinc/19/56/98/1079195698.db2.gz RJOAKAYQNWDGDH-GOSISDBHSA-N 1 0 411.550 2.475 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H](N(C(N)=[NH2+])c2ccccc2)C[C@H]1C(=O)N1CCSC1 ZINC001170023383 1079197250 /nfs/dbraw/zinc/19/72/50/1079197250.db2.gz WCDIHINMHZOWBB-HOTGVXAUSA-N 1 0 419.551 2.297 20 0 HEADRO Cc1ccc2c(c1)CC[N@@H+]([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169221416 1079201134 /nfs/dbraw/zinc/20/11/34/1079201134.db2.gz UYOFJGOXCOYSOZ-QGZVFWFLSA-N 1 0 409.534 2.359 20 0 HEADRO CCCN(CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000804310498 1079204549 /nfs/dbraw/zinc/20/45/49/1079204549.db2.gz ZIHJDUNPJRSYAV-SFHVURJKSA-N 1 0 424.586 2.227 20 0 HEADRO Cc1ccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1N1CCOC1=O ZINC000771167015 1079205786 /nfs/dbraw/zinc/20/57/86/1079205786.db2.gz ALNYEVRAQGYFMN-UHFFFAOYSA-N 1 0 403.527 2.489 20 0 HEADRO CC[NH+]1CCC(N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)CC1 ZINC001169249205 1079211517 /nfs/dbraw/zinc/21/15/17/1079211517.db2.gz FLONQNQCGARHLD-UHFFFAOYSA-N 1 0 407.580 2.266 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)[C@@H]3CSCN3C(=O)CC(C)(C)C)CC[NH2+]2)c1 ZINC001169249787 1079211546 /nfs/dbraw/zinc/21/15/46/1079211546.db2.gz DOORXKZACZPLGX-HKUYNNGSSA-N 1 0 419.591 2.376 20 0 HEADRO Cc1cc2n(n1)c1ccccc1c(=O)n2CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000771172642 1079207952 /nfs/dbraw/zinc/20/79/52/1079207952.db2.gz CUUUAQOHJVZQSV-UHFFFAOYSA-N 1 0 422.577 2.406 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(CN3c4cccc(Cl)c4C(=O)C3=O)CC2)CC1 ZINC000771174826 1079208930 /nfs/dbraw/zinc/20/89/30/1079208930.db2.gz NJWOMMHQLPXICZ-UHFFFAOYSA-N 1 0 404.942 2.317 20 0 HEADRO CCC(CC)[C@H](C(=O)N1CC[NH2+][C@H](Cc2cccc(OC)c2)C1)N1CCOCC1 ZINC001169249996 1079211859 /nfs/dbraw/zinc/21/18/59/1079211859.db2.gz HCNGRPZKLCOIFS-IFMALSPDSA-N 1 0 403.567 2.175 20 0 HEADRO CCC(CC)[C@@H](C(=O)N1CC[NH2+][C@@H](Cc2cccc(OC)c2)C1)N1CCOCC1 ZINC001169249999 1079211877 /nfs/dbraw/zinc/21/18/77/1079211877.db2.gz HCNGRPZKLCOIFS-UNMCSNQZSA-N 1 0 403.567 2.175 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)c3nn(C)c(C)c3Br)CC[NH2+]2)c1 ZINC001169260462 1079214382 /nfs/dbraw/zinc/21/43/82/1079214382.db2.gz JHWRFIJDDPOCMD-AWEZNQCLSA-N 1 0 407.312 2.156 20 0 HEADRO COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169282073 1079218511 /nfs/dbraw/zinc/21/85/11/1079218511.db2.gz RTRMNNAOOIRHCL-RXQRSOPUSA-N 1 0 402.491 2.297 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170023435 1079218872 /nfs/dbraw/zinc/21/88/72/1079218872.db2.gz XJGHQERUERRKFR-TWMKSMIVSA-N 1 0 413.584 2.038 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3[C@H]2OCCN3C(=O)OC(C)(C)C)CO1 ZINC001169324222 1079226612 /nfs/dbraw/zinc/22/66/12/1079226612.db2.gz KXJFEPHXQKFLHF-ATIWLJMLSA-N 1 0 412.527 2.101 20 0 HEADRO O=C(OC1CCC([N@@H+]2CCCn3nnc(Cn4cnnc4)c3C2)CC1)c1ccccc1 ZINC001169298889 1079228564 /nfs/dbraw/zinc/22/85/64/1079228564.db2.gz DTVNRNLSBKALLD-UHFFFAOYSA-N 1 0 421.505 2.292 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ncn3c2CN(C(=O)OC(C)(C)C)CCC3)CO1 ZINC001169334505 1079236894 /nfs/dbraw/zinc/23/68/94/1079236894.db2.gz LMPLVWICFHQZIN-MAUKXSAKSA-N 1 0 422.526 2.224 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C(=O)OC)CO1 ZINC001169342175 1079239843 /nfs/dbraw/zinc/23/98/43/1079239843.db2.gz OKJVVHDONIBVHP-UKRRQHHQSA-N 1 0 400.269 2.436 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000771287010 1079240809 /nfs/dbraw/zinc/24/08/09/1079240809.db2.gz KJULLPOVCGGLJC-IEBWSBKVSA-N 1 0 404.511 2.362 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H](n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)CO1 ZINC001169344638 1079240985 /nfs/dbraw/zinc/24/09/85/1079240985.db2.gz TWTDMIXLYOIJQX-CVOYVFRVSA-N 1 0 403.523 2.352 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)CO1 ZINC001169383847 1079254492 /nfs/dbraw/zinc/25/44/92/1079254492.db2.gz CBEMNUASRRUONU-FCIYXJNOSA-N 1 0 404.507 2.332 20 0 HEADRO O=C(NCC12CCC[NH+](CCC1)C2)c1ccc(-n2cc(Br)cn2)nn1 ZINC001169401801 1079250628 /nfs/dbraw/zinc/25/06/28/1079250628.db2.gz HRZJNHYZVLZARQ-UHFFFAOYSA-N 1 0 405.300 2.031 20 0 HEADRO CCCCn1c(N)c(N(CC)C(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C)c(=O)[nH]c1=O ZINC001169384119 1079255063 /nfs/dbraw/zinc/25/50/63/1079255063.db2.gz XOPJKTQYKSVGJH-LBPRGKRZSA-N 1 0 421.464 2.251 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)CO1 ZINC001169384853 1079256762 /nfs/dbraw/zinc/25/67/62/1079256762.db2.gz HCDTVDRHMNWXBU-UXHICEINSA-N 1 0 415.534 2.458 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3nc(C(=O)N(CC)CC)sc3CC2)CO1 ZINC001169388816 1079259603 /nfs/dbraw/zinc/25/96/03/1079259603.db2.gz QMWYJTHEDMXQKT-ZBFHGGJFSA-N 1 0 409.552 2.136 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CO1 ZINC001169389514 1079260387 /nfs/dbraw/zinc/26/03/87/1079260387.db2.gz FFXLCVSWZLHKLH-RJOZEALSSA-N 1 0 404.507 2.442 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)CO1 ZINC001169393158 1079264388 /nfs/dbraw/zinc/26/43/88/1079264388.db2.gz BNNRROKHKIVMKF-YUMYIRISSA-N 1 0 402.535 2.115 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(N4CCOC4=O)cc3)CC2)CC1 ZINC000771296423 1079270579 /nfs/dbraw/zinc/27/05/79/1079270579.db2.gz NUBNPJOKPFZMKJ-UHFFFAOYSA-N 1 0 400.523 2.274 20 0 HEADRO O=C(NCCN(Cc1ccccc1)c1ccccn1)NC[C@@H]1CCCC[N@H+]1CCO ZINC001687511280 1079271032 /nfs/dbraw/zinc/27/10/32/1079271032.db2.gz REEWSPHJUZQRQZ-NRFANRHFSA-N 1 0 411.550 2.234 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CO1 ZINC001169398009 1079271212 /nfs/dbraw/zinc/27/12/12/1079271212.db2.gz PKCBFPQROFMYMD-XFGYDDDFSA-N 1 0 416.518 2.151 20 0 HEADRO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)nc1 ZINC001170024825 1079274314 /nfs/dbraw/zinc/27/43/14/1079274314.db2.gz DAQSMWGEEOHUMK-RDJZCZTQSA-N 1 0 422.551 2.091 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)CO1 ZINC001169393741 1079265629 /nfs/dbraw/zinc/26/56/29/1079265629.db2.gz CIRISMGAZWVXAN-QSUVIHHLSA-N 1 0 404.507 2.331 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)CO1 ZINC001169394735 1079266956 /nfs/dbraw/zinc/26/69/56/1079266956.db2.gz FOXFACYANVGSEI-IIZPIQPGSA-N 1 0 404.507 2.251 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cccc(N4CCOC4=O)c3)CC2)CC1 ZINC000771293591 1079267846 /nfs/dbraw/zinc/26/78/46/1079267846.db2.gz NFBRBFLRULVKKC-UHFFFAOYSA-N 1 0 400.523 2.274 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)CO1 ZINC001169395468 1079268078 /nfs/dbraw/zinc/26/80/78/1079268078.db2.gz JITQKFPNVGTZRX-NVXWUHKLSA-N 1 0 407.536 2.182 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)c2ccccc2N(CCOC)C3=O)CO1 ZINC001169396150 1079268597 /nfs/dbraw/zinc/26/85/97/1079268597.db2.gz KYSRUKRSFJDNDJ-YLJYHZDGSA-N 1 0 416.518 2.124 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCCN(c2nccs2)C3)CO1 ZINC001169397932 1079269937 /nfs/dbraw/zinc/26/99/37/1079269937.db2.gz OKUKTWBBGDJYNR-IRXDYDNUSA-N 1 0 409.552 2.173 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H](N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CO1 ZINC001169414945 1079275304 /nfs/dbraw/zinc/27/53/04/1079275304.db2.gz CKXQHJKNLRNIFT-UONOGXRCSA-N 1 0 402.417 2.165 20 0 HEADRO C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000771306506 1079277074 /nfs/dbraw/zinc/27/70/74/1079277074.db2.gz AQGCITGUCSJOGG-KRWDZBQOSA-N 1 0 417.554 2.420 20 0 HEADRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)c3ccc4ncsc4n3)C[C@H]2C1 ZINC001156305355 1079280882 /nfs/dbraw/zinc/28/08/82/1079280882.db2.gz YFIWSADFJSFGSA-KGLIPLIRSA-N 1 0 417.535 2.362 20 0 HEADRO O=C(CC[N@@H+]1CCCC[C@H]1COC(=O)N1CCCCC1)NC(=O)NCC(F)(F)F ZINC001170025247 1079289754 /nfs/dbraw/zinc/28/97/54/1079289754.db2.gz GXLSPHIOJZBMAS-AWEZNQCLSA-N 1 0 422.448 2.242 20 0 HEADRO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2cc(OCC3CC3)cc[nH+]2)c1 ZINC001169439474 1079290132 /nfs/dbraw/zinc/29/01/32/1079290132.db2.gz TWPKATGTVRHFMS-GOSISDBHSA-N 1 0 401.463 2.149 20 0 HEADRO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2ccc([C@@H]3CC[N@H+](C)C3)cc2)c1 ZINC001169443011 1079293412 /nfs/dbraw/zinc/29/34/12/1079293412.db2.gz XVMAXDLWFOVMGP-UTKZUKDTSA-N 1 0 413.518 2.385 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](c1cnc(C(F)(F)F)nc1)N1CCOCC1 ZINC001169449593 1079297553 /nfs/dbraw/zinc/29/75/53/1079297553.db2.gz VNQJBGYNYWKJCT-GOEBONIOSA-N 1 0 417.476 2.105 20 0 HEADRO CCC[C@@H]1CN(C(=O)NC2CCC(O)(c3cccnc3)CC2)CC[N@@H+]1CCOC ZINC000771360915 1079303885 /nfs/dbraw/zinc/30/38/85/1079303885.db2.gz VQXXOEOLDSUXBK-SNCIUUNGSA-N 1 0 404.555 2.354 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([C@H](NC(=O)OC(C)(C)C)C(=O)OC)CC1 ZINC001169484864 1079305060 /nfs/dbraw/zinc/30/50/60/1079305060.db2.gz QHSNUAMURGDUQI-QAPCUYQASA-N 1 0 413.559 2.412 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001169465461 1079307384 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HEADRO CC1CC[NH+](Cc2ccccc2CNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000766765173 1079354344 /nfs/dbraw/zinc/35/43/44/1079354344.db2.gz QSBFVWCNPNURHI-UHFFFAOYSA-N 1 0 423.579 2.092 20 0 HEADRO CCOC(=O)N1CCC[C@H](N[C@]2(C(=O)OC)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001169651596 1079355663 /nfs/dbraw/zinc/35/56/63/1079355663.db2.gz ICOVMGIGLINVMV-SIKLNZKXSA-N 1 0 403.523 2.405 20 0 HEADRO CCOC(=O)N1CCC[C@@H](N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)CC1 ZINC001169655774 1079357964 /nfs/dbraw/zinc/35/79/64/1079357964.db2.gz AXORJTCUJXLSLQ-QGZVFWFLSA-N 1 0 420.535 2.195 20 0 HEADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2C[NH+](C)C)C1=O ZINC000771497312 1079359733 /nfs/dbraw/zinc/35/97/33/1079359733.db2.gz ZKIOWFHTUMLGRG-QHCPKHFHSA-N 1 0 424.501 2.471 20 0 HEADRO Cc1ccc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(Br)n1 ZINC000771503468 1079364570 /nfs/dbraw/zinc/36/45/70/1079364570.db2.gz PPBFHJSBOXNAKT-AWEZNQCLSA-N 1 0 412.332 2.217 20 0 HEADRO Cc1ccc(C)n1-c1c(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cnn1C 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ZINC001169694686 1079374859 /nfs/dbraw/zinc/37/48/59/1079374859.db2.gz RLPJCMUZJRBDRV-BRSBDYLESA-N 1 0 407.536 2.188 20 0 HEADRO CCOC(=O)N1CCC[C@H]([NH+]2CCC3(CCN(C(=O)c4cnccn4)C3)CC2)CC1 ZINC001169694639 1079374866 /nfs/dbraw/zinc/37/48/66/1079374866.db2.gz RAQPWUWKQWMDIX-SFHVURJKSA-N 1 0 415.538 2.416 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)CC1 ZINC001169694750 1079375183 /nfs/dbraw/zinc/37/51/83/1079375183.db2.gz SNBXEWLMQDSCCA-RTBURBONSA-N 1 0 407.555 2.348 20 0 HEADRO CCOC(=O)c1csc(N2CC[NH+]([C@@H]3CCCN(C(=O)OCC)CC3)CC2)n1 ZINC001169704471 1079380439 /nfs/dbraw/zinc/38/04/39/1079380439.db2.gz XIKLYNNDKYGAAF-OAHLLOKOSA-N 1 0 410.540 2.453 20 0 HEADRO COC(=O)c1ccc(CCNC(=O)c2ccccc2N2CC[NH+](C)CC2)c(OC)c1 ZINC001129342656 1079382371 /nfs/dbraw/zinc/38/23/71/1079382371.db2.gz OENMTZAFEPXIEQ-UHFFFAOYSA-N 1 0 411.502 2.206 20 0 HEADRO COCCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169720592 1079384257 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DEDDWBHIGSIWHX-UHFFFAOYSA-N 1 0 405.564 2.394 20 0 HEADRO CC[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H](O)c1c(F)cccc1F ZINC000771709314 1079458431 /nfs/dbraw/zinc/45/84/31/1079458431.db2.gz QTDLJEUOIIGYAQ-YLJYHZDGSA-N 1 0 404.461 2.354 20 0 HEADRO Cc1cc(=O)oc2cc(NC(=O)CC[NH2+]C3CCC(S(C)(=O)=O)CC3)ccc12 ZINC001169865237 1079462385 /nfs/dbraw/zinc/46/23/85/1079462385.db2.gz AFSZPJHBWYMCEV-UHFFFAOYSA-N 1 0 406.504 2.375 20 0 HEADRO COC(=O)[C@@H](C[NH3+])c1cn(C2CCC(S(C)(=O)=O)CC2)c2ccc(OC)cc12 ZINC001169865464 1079462469 /nfs/dbraw/zinc/46/24/69/1079462469.db2.gz GUQAIWDBCBMFJF-PGEKIEPBSA-N 1 0 408.520 2.394 20 0 HEADRO COC(=O)c1cccc(CN2CCC([NH2+]C3CCC(S(C)(=O)=O)CC3)CC2)c1 ZINC001169865759 1079462871 /nfs/dbraw/zinc/46/28/71/1079462871.db2.gz LUVCICFKEXJWTQ-UHFFFAOYSA-N 1 0 408.564 2.383 20 0 HEADRO CC(C)(C)OC(=O)N1CCOC2(CC[NH+](C3CCC(S(C)(=O)=O)CC3)CC2)C1 ZINC001169876806 1079465901 /nfs/dbraw/zinc/46/59/01/1079465901.db2.gz RMZMHWFXDARVJS-UHFFFAOYSA-N 1 0 416.584 2.444 20 0 HEADRO O=c1ccc2c(n1CC[NH+]1CCCC1)CC[C@@H]([NH2+][C@@H]1CCCC3(C1)OCCO3)C2 ZINC001169908596 1079473148 /nfs/dbraw/zinc/47/31/48/1079473148.db2.gz WJWAPJLKMCCYFP-WOJBJXKFSA-N 1 0 401.551 2.077 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)NCCc2cccc(O)c2)cc1)C1CC[NH+](C)CC1 ZINC000737268306 1075897971 /nfs/dbraw/zinc/89/79/71/1075897971.db2.gz CRHUPHWILVOLDP-UHFFFAOYSA-N 1 0 410.518 2.220 20 0 HEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000737299139 1075900917 /nfs/dbraw/zinc/90/09/17/1075900917.db2.gz LYKYCQQALLHMOT-KRWDZBQOSA-N 1 0 423.604 2.457 20 0 HEADRO Cc1cccc(CN2CCO[C@H]3C[N@@H+]([C@H]4CCCC5(C4)OCCO5)CC[C@H]3C2=O)n1 ZINC001169946110 1079488158 /nfs/dbraw/zinc/48/81/58/1079488158.db2.gz VHGFTGTVSNYINA-HBMCJLEFSA-N 1 0 415.534 2.125 20 0 HEADRO COC[C@H]1CC2(CN1c1ncccn1)CC[NH+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169946336 1079488832 /nfs/dbraw/zinc/48/88/32/1079488832.db2.gz ZFIUNZVHQMQSQP-RBUKOAKNSA-N 1 0 402.539 2.470 20 0 HEADRO COC(=O)c1cc2c(nc1N(C(C)C)[C@H]1CCCC3(C1)OCCO3)CC[NH2+]CC2 ZINC001169946256 1079488872 /nfs/dbraw/zinc/48/88/72/1079488872.db2.gz YBSBRSMCKAOIRK-KRWDZBQOSA-N 1 0 403.523 2.457 20 0 HEADRO CC(C)N1C(=O)c2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cc2S1(=O)=O ZINC000737691993 1075919777 /nfs/dbraw/zinc/91/97/77/1075919777.db2.gz PIOVSKSLQGPJFM-KRWDZBQOSA-N 1 0 419.547 2.330 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n(C)c1 ZINC000737693275 1075920200 /nfs/dbraw/zinc/92/02/00/1075920200.db2.gz WHKWMMKZTVFMKA-QGZVFWFLSA-N 1 0 410.584 2.146 20 0 HEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000737741240 1075921634 /nfs/dbraw/zinc/92/16/34/1075921634.db2.gz FUZDWZHHEBRXOP-RDPSFJRHSA-N 1 0 422.529 2.405 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2cccnc2-n2cccn2)CC1 ZINC000737727271 1075925685 /nfs/dbraw/zinc/92/56/85/1075925685.db2.gz BSWZAUVVEGCBJS-UHFFFAOYSA-N 1 0 420.517 2.170 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1 ZINC000737727868 1075926514 /nfs/dbraw/zinc/92/65/14/1075926514.db2.gz GVCQEGPCMMCRAT-UHFFFAOYSA-N 1 0 420.517 2.170 20 0 HEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000737821241 1075933343 /nfs/dbraw/zinc/93/33/43/1075933343.db2.gz REKASCNFGKDFGQ-STQMWFEESA-N 1 0 406.280 2.296 20 0 HEADRO Cc1oc(-c2ccccc2F)nc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000737832111 1075934874 /nfs/dbraw/zinc/93/48/74/1075934874.db2.gz VIQQYBLBRYGCFL-KRWDZBQOSA-N 1 0 400.454 2.343 20 0 HEADRO C[C@@H]1COCCN1CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737836382 1075935204 /nfs/dbraw/zinc/93/52/04/1075935204.db2.gz FHVNULVFVUHDKB-NQIIRXRSSA-N 1 0 411.502 2.491 20 0 HEADRO C[C@@H]1N(Cc2cccnc2)C(=O)COC12CC[NH+]([C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001169950473 1079490985 /nfs/dbraw/zinc/49/09/85/1079490985.db2.gz TXEAAIBRXBXBPP-AZUAARDMSA-N 1 0 415.534 2.349 20 0 HEADRO CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000737955606 1075947464 /nfs/dbraw/zinc/94/74/64/1075947464.db2.gz UTLIHRRVSQDAGE-UHFFFAOYSA-N 1 0 420.535 2.218 20 0 HEADRO Cc1nn(CN2CCC[N@H+](CC3CCCCC3)CC2)c(=S)n1CC(=O)N(C)C ZINC000738036029 1075955175 /nfs/dbraw/zinc/95/51/75/1075955175.db2.gz FMVHNCFDNYMPMQ-UHFFFAOYSA-N 1 0 408.616 2.356 20 0 HEADRO O=C1C(=O)N(CN2CCC(C[NH+]3CCCC3)CC2)C(=O)N1CCC1=CCCCC1 ZINC000738071314 1075958085 /nfs/dbraw/zinc/95/80/85/1075958085.db2.gz KXCPYLWEPMXEHF-UHFFFAOYSA-N 1 0 402.539 2.433 20 0 HEADRO O=C1CN(/C=C/c2ccccc2)C(=O)N1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738112614 1075966274 /nfs/dbraw/zinc/96/62/74/1075966274.db2.gz YRWVFDRDFQWLPP-UKTHLTGXSA-N 1 0 412.534 2.313 20 0 HEADRO O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@@H](n2ccnc2)C1 ZINC000738147953 1075968553 /nfs/dbraw/zinc/96/85/53/1075968553.db2.gz HEWOHIXYDOOOMP-OFNKIYASSA-N 1 0 422.533 2.064 20 0 HEADRO O=C(C[NH+]1CCCC1)N1CCN(Cn2[nH]c(/C=C\c3ccccc3)nc2=S)CC1 ZINC000738160619 1075970939 /nfs/dbraw/zinc/97/09/39/1075970939.db2.gz KKZMBVBEUGAMFF-HJWRWDBZSA-N 1 0 412.563 2.309 20 0 HEADRO O=C(NCCS(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OCc1ccccc1 ZINC000771775328 1079495441 /nfs/dbraw/zinc/49/54/41/1079495441.db2.gz KQUPFPFRJIAWMG-ICSRJNTNSA-N 1 0 421.563 2.191 20 0 HEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CN2C(=O)NC3(CCCCCCC3)C2=O)CC1 ZINC000738169706 1075971810 /nfs/dbraw/zinc/97/18/10/1075971810.db2.gz KXEDNEOJJHJIMV-IBGZPJMESA-N 1 0 405.587 2.081 20 0 HEADRO CCCCCC[C@@]1(C)NC(=O)N(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000738171681 1075972903 /nfs/dbraw/zinc/97/29/03/1075972903.db2.gz RJMSYKPBTGCNDH-DENIHFKCSA-N 1 0 407.603 2.327 20 0 HEADRO COc1ccc(-c2nc(=S)n(CN3CCN([C@@H]4CCC[N@H+](C)C4)CC3)[nH]2)cc1 ZINC000738206656 1075973529 /nfs/dbraw/zinc/97/35/29/1075973529.db2.gz AOVZPJCJUJADHZ-QGZVFWFLSA-N 1 0 402.568 2.286 20 0 HEADRO COc1ccccc1-n1cnn(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1=S ZINC000738214756 1075974363 /nfs/dbraw/zinc/97/43/63/1075974363.db2.gz RCYIZCLTQHPPKW-KRWDZBQOSA-N 1 0 402.568 2.081 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738228683 1075976632 /nfs/dbraw/zinc/97/66/32/1075976632.db2.gz YEJHWWIAYGKBOH-LIRRHRJNSA-N 1 0 408.340 2.307 20 0 HEADRO CC(C)[C@@H]1C[N@H+](C)CCN1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000738285262 1075979376 /nfs/dbraw/zinc/97/93/76/1075979376.db2.gz IYLGRYGVGWKVDV-QFBILLFUSA-N 1 0 423.355 2.446 20 0 HEADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000738306669 1075986807 /nfs/dbraw/zinc/98/68/07/1075986807.db2.gz XAJJQNPNLFGSOZ-PZJWPPBQSA-N 1 0 418.545 2.478 20 0 HEADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000738314618 1075987725 /nfs/dbraw/zinc/98/77/25/1075987725.db2.gz QJHLHPOEUFJQRJ-LZFQIVBZSA-N 1 0 416.522 2.394 20 0 HEADRO COc1cccc2sc(NC(=O)CN3CCC[N@H+](C[C@@H]4CCCO4)CC3)nc21 ZINC000738316307 1075988520 /nfs/dbraw/zinc/98/85/20/1075988520.db2.gz CGESWTJSSBICAE-HNNXBMFYSA-N 1 0 404.536 2.430 20 0 HEADRO Cc1ccccc1OC[C@@H](O)C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326782 1075990920 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SUEIYKHMDNUFGQ-VOMPUTFMSA-N 1 0 405.564 2.444 20 0 HEADRO O=C(CCNS(=O)(=O)/C=C\c1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000738549662 1076001427 /nfs/dbraw/zinc/00/14/27/1076001427.db2.gz UCIXQDLFMRPQBU-PDGQHHTCSA-N 1 0 405.564 2.444 20 0 HEADRO CCN(C(=O)NC[C@H]1COC2(CCOCC2)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771778413 1079499183 /nfs/dbraw/zinc/49/91/83/1079499183.db2.gz PQPIYSAELBFSPI-UXHICEINSA-N 1 0 403.523 2.215 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC)CC2 ZINC000771780252 1079501247 /nfs/dbraw/zinc/50/12/47/1079501247.db2.gz VQSOYSQNEINZNG-GJZGRUSLSA-N 1 0 403.479 2.045 20 0 HEADRO CN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771779939 1079502023 /nfs/dbraw/zinc/50/20/23/1079502023.db2.gz ZHMGAUDJJNEBPJ-SFHVURJKSA-N 1 0 423.602 2.244 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)[NH+]1CCC(C)CC1 ZINC000739083308 1076033296 /nfs/dbraw/zinc/03/32/96/1076033296.db2.gz XLVCBNJNWCLSPH-ROUUACIJSA-N 1 0 402.539 2.087 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000739064413 1076033867 /nfs/dbraw/zinc/03/38/67/1076033867.db2.gz BOCXEVRWFCPIKJ-KRWDZBQOSA-N 1 0 402.539 2.231 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000739068732 1076036163 /nfs/dbraw/zinc/03/61/63/1076036163.db2.gz OUAQIQUQMBAUDT-QGZVFWFLSA-N 1 0 402.539 2.231 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCc3cccc(CO)c3)cc2)CC1 ZINC000739084808 1076036290 /nfs/dbraw/zinc/03/62/90/1076036290.db2.gz FIXCWRBVFVHJLA-UHFFFAOYSA-N 1 0 424.545 2.212 20 0 HEADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)[NH+]1CCCC1 ZINC000739070462 1076037360 /nfs/dbraw/zinc/03/73/60/1076037360.db2.gz LXTVVVCCXTUIAT-FXAWDEMLSA-N 1 0 402.539 2.087 20 0 HEADRO Cc1csc(CNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000739070757 1076037405 /nfs/dbraw/zinc/03/74/05/1076037405.db2.gz SMLXXXLXHWPGQU-UHFFFAOYSA-N 1 0 415.563 2.484 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000739073417 1076038132 /nfs/dbraw/zinc/03/81/32/1076038132.db2.gz ZVAGXXDORYYHNS-OKZBNKHCSA-N 1 0 402.539 2.229 20 0 HEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)ccc1OC1CCOCC1 ZINC000739077655 1076038411 /nfs/dbraw/zinc/03/84/11/1076038411.db2.gz BADMHXRCIIVXMP-KRWDZBQOSA-N 1 0 403.523 2.482 20 0 HEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)C1 ZINC000739080758 1076039206 /nfs/dbraw/zinc/03/92/06/1076039206.db2.gz MBZCQSPSVILYHZ-QZTJIDSGSA-N 1 0 416.566 2.477 20 0 HEADRO CCO[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000739084161 1076041415 /nfs/dbraw/zinc/04/14/15/1076041415.db2.gz ZCNRLWMBRSEXKY-NRFANRHFSA-N 1 0 416.566 2.431 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCCc3ccccc3O)cc2)CC1 ZINC000739088011 1076042771 /nfs/dbraw/zinc/04/27/71/1076042771.db2.gz MCQNZQXMLMGJTP-UHFFFAOYSA-N 1 0 424.545 2.468 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(F)cc1F ZINC000739116849 1076045613 /nfs/dbraw/zinc/04/56/13/1076045613.db2.gz CQBWBJLMRKCRAZ-UHFFFAOYSA-N 1 0 408.449 2.339 20 0 HEADRO CC[C@@H](NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)c1nccs1 ZINC000739119743 1076046430 /nfs/dbraw/zinc/04/64/30/1076046430.db2.gz SRCRWGOLEATHRA-QGZVFWFLSA-N 1 0 401.536 2.491 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000739120799 1076046629 /nfs/dbraw/zinc/04/66/29/1076046629.db2.gz TWERDMKCWOHVGJ-AZUAARDMSA-N 1 0 414.550 2.327 20 0 HEADRO O=C(Nc1ccc(N2CCOC2=O)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000739120760 1076046647 /nfs/dbraw/zinc/04/66/47/1076046647.db2.gz SOVDGTHQSDVXTO-QGZVFWFLSA-N 1 0 400.479 2.059 20 0 HEADRO O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000739120235 1076046945 /nfs/dbraw/zinc/04/69/45/1076046945.db2.gz QLHAXLDIPODLLV-OAQYLSRUSA-N 1 0 422.529 2.312 20 0 HEADRO CN1CC[NH+](CC2CCN(C(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739721810 1076079007 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MXXZHTVJUGSTHK-QRVBRYPASA-N 1 0 416.566 2.477 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C)C[NH+]1CCCCC1 ZINC000740494633 1076174119 /nfs/dbraw/zinc/17/41/19/1076174119.db2.gz GURGUCNLMOJWAP-MRXNPFEDSA-N 1 0 402.539 2.392 20 0 HEADRO CN(CCCC[NH+](C)C)C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000740710829 1076214034 /nfs/dbraw/zinc/21/40/34/1076214034.db2.gz KDNRWOGURPPXFI-UHFFFAOYSA-N 1 0 410.584 2.219 20 0 HEADRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000740684929 1076224223 /nfs/dbraw/zinc/22/42/23/1076224223.db2.gz VTVILUZLEKJMCN-NRFANRHFSA-N 1 0 408.502 2.322 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)C[C@H]1C ZINC000740841805 1076264960 /nfs/dbraw/zinc/26/49/60/1076264960.db2.gz YLIAUAQIDNWCJF-ZBFHGGJFSA-N 1 0 407.536 2.184 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)C[C@H]1C ZINC000740841802 1076264990 /nfs/dbraw/zinc/26/49/90/1076264990.db2.gz YLIAUAQIDNWCJF-GDBMZVCRSA-N 1 0 407.536 2.184 20 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O=C1OCCN1c1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000740889653 1076289387 /nfs/dbraw/zinc/28/93/87/1076289387.db2.gz FDSXTPLUPHOYFE-UHFFFAOYSA-N 1 0 415.515 2.370 20 0 HEADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000740892416 1076293000 /nfs/dbraw/zinc/29/30/00/1076293000.db2.gz QMVFEDRSUVUUNF-UHFFFAOYSA-N 1 0 419.503 2.409 20 0 HEADRO CC[C@H](C(=O)OCC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)[NH+](CC)CC ZINC000741033268 1076332289 /nfs/dbraw/zinc/33/22/89/1076332289.db2.gz SMYWFJFWHKDVRT-MRXNPFEDSA-N 1 0 402.499 2.190 20 0 HEADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N[C@@H](CCO)c1cccs1 ZINC000741074289 1076354465 /nfs/dbraw/zinc/35/44/65/1076354465.db2.gz JGRFQFYADNHHNO-IBGZPJMESA-N 1 0 402.564 2.289 20 0 HEADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N[C@H](CCO)c1cccs1 ZINC000741074290 1076354505 /nfs/dbraw/zinc/35/45/05/1076354505.db2.gz JGRFQFYADNHHNO-LJQANCHMSA-N 1 0 402.564 2.289 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CSCC(=O)N(C)C2CCCCC2)C1 ZINC000741118682 1076378666 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LTTHMPUIOWQZIH-INIZCTEOSA-N 1 0 414.583 2.207 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000741222949 1076411129 /nfs/dbraw/zinc/41/11/29/1076411129.db2.gz DCFNWTKRUIYHCS-XLIONFOSSA-N 1 0 404.507 2.344 20 0 HEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1cccc(N2CCOC2=O)c1 ZINC000741265863 1076436662 /nfs/dbraw/zinc/43/66/62/1076436662.db2.gz KPDAFRPXIOCTGR-JOCHJYFZSA-N 1 0 410.474 2.402 20 0 HEADRO Cc1ccc([C@H](O)CNC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)o1 ZINC000741272403 1076439571 /nfs/dbraw/zinc/43/95/71/1076439571.db2.gz ZCSRRHHLDIPVNH-WOJBJXKFSA-N 1 0 400.523 2.299 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000741338812 1076471396 /nfs/dbraw/zinc/47/13/96/1076471396.db2.gz SPRARPATMFTVGC-LPHOPBHVSA-N 1 0 403.523 2.188 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)CC1 ZINC000741341760 1076474956 /nfs/dbraw/zinc/47/49/56/1076474956.db2.gz JDKHKVBQWSVNEN-MRXNPFEDSA-N 1 0 424.501 2.111 20 0 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CC[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)[C@@H](C)C(C)C ZINC000741788157 1076627850 /nfs/dbraw/zinc/62/78/50/1076627850.db2.gz OLENMGXJWOYNNM-SKTWIKFTSA-N 1 0 407.580 2.498 20 0 HEADRO CC(C)[NH+]1CCC(N(C)C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000741897183 1076673438 /nfs/dbraw/zinc/67/34/38/1076673438.db2.gz OVRHRLCWAMWLNJ-UHFFFAOYSA-N 1 0 420.579 2.179 20 0 HEADRO CN(CCCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1=NS(=O)(=O)c2ccccc21 ZINC000741920783 1076676329 /nfs/dbraw/zinc/67/63/29/1076676329.db2.gz PKTXLIKMUGRGTJ-UHFFFAOYSA-N 1 0 424.486 2.067 20 0 HEADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000804263216 1076676997 /nfs/dbraw/zinc/67/69/97/1076676997.db2.gz KYPHJRZGJGRBLQ-GOSISDBHSA-N 1 0 424.586 2.081 20 0 HEADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000742012448 1076707113 /nfs/dbraw/zinc/70/71/13/1076707113.db2.gz VDZFRDADHOKATH-VPDFPHFYSA-N 1 0 422.639 2.311 20 0 HEADRO Cc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000742103979 1076742993 /nfs/dbraw/zinc/74/29/93/1076742993.db2.gz FCMVJIJEQMIZFX-QGZVFWFLSA-N 1 0 415.563 2.113 20 0 HEADRO CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000742104116 1076743177 /nfs/dbraw/zinc/74/31/77/1076743177.db2.gz HRKHPPGAJDOUGB-HKUYNNGSSA-N 1 0 403.523 2.433 20 0 HEADRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742106945 1076743641 /nfs/dbraw/zinc/74/36/41/1076743641.db2.gz BPPXKKFGDUZPKT-WOJBJXKFSA-N 1 0 417.550 2.303 20 0 HEADRO CCOC(=O)N1[C@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC[C@H]1c1ccc(C)o1 ZINC000742106895 1076743821 /nfs/dbraw/zinc/74/38/21/1076743821.db2.gz AQQJONGQNSBUMB-QYZOEREBSA-N 1 0 419.522 2.431 20 0 HEADRO COc1ccc(CN2C(=O)C(=O)N(C[N@H+](C[C@@H]3CCCO3)C3CCCC3)C2=O)cc1 ZINC000742166685 1076761634 /nfs/dbraw/zinc/76/16/34/1076761634.db2.gz QKZNNLZHYRAAHS-IBGZPJMESA-N 1 0 415.490 2.367 20 0 HEADRO NC(=O)CCn1c(-c2ccco2)nn(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1=S ZINC000742168721 1076762859 /nfs/dbraw/zinc/76/28/59/1076762859.db2.gz GNLNDMUPBIYKGB-INIZCTEOSA-N 1 0 418.567 2.315 20 0 HEADRO Cn1c2nn(CN3CC[C@@H](C[NH+]4CCCCC4)C3)c(=S)n2c2ccccc2c1=O ZINC000742170160 1076763374 /nfs/dbraw/zinc/76/33/74/1076763374.db2.gz IPFWZIVAFLQWPI-INIZCTEOSA-N 1 0 412.563 2.482 20 0 HEADRO C[NH+](C)CCOC1CCN(Cn2c3cnccc3n(Cc3ccccc3)c2=O)CC1 ZINC000742151574 1076767307 /nfs/dbraw/zinc/76/73/07/1076767307.db2.gz JTSPGUNIYDDSIN-UHFFFAOYSA-N 1 0 409.534 2.246 20 0 HEADRO COc1ccc(C[C@]2(C)NC(=O)N(C[N@@H+]3CCCC4(CCOCC4)C3)C2=O)cc1 ZINC000742159171 1076771746 /nfs/dbraw/zinc/77/17/46/1076771746.db2.gz NOKGUNMEMFLMAL-NRFANRHFSA-N 1 0 401.507 2.398 20 0 HEADRO C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CN2CC[C@@H]([NH+]3CC=CC3)C2)C1=O ZINC000742162834 1076772837 /nfs/dbraw/zinc/77/28/37/1076772837.db2.gz KESMOMUHCSCTGR-APWZRJJASA-N 1 0 419.323 2.120 20 0 HEADRO COc1ccccc1Cc1nn(CN2CC[C@H](C[NH+]3CCOCC3)C2)c(=S)o1 ZINC000742162712 1076773433 /nfs/dbraw/zinc/77/34/33/1076773433.db2.gz XXTLNNZPQZFVLR-MRXNPFEDSA-N 1 0 404.536 2.417 20 0 HEADRO C[NH+]1CCC2(CCN2C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000742183312 1076774761 /nfs/dbraw/zinc/77/47/61/1076774761.db2.gz FEIWLONUZPSEID-CQSZACIVSA-N 1 0 406.324 2.499 20 0 HEADRO C[NH+]1CCC2(CCN2C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000742183311 1076774796 /nfs/dbraw/zinc/77/47/96/1076774796.db2.gz FEIWLONUZPSEID-AWEZNQCLSA-N 1 0 406.324 2.499 20 0 HEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000742241709 1076804326 /nfs/dbraw/zinc/80/43/26/1076804326.db2.gz RIFGGJWDICFUOF-CYBMUJFWSA-N 1 0 407.312 2.150 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000742276472 1076808604 /nfs/dbraw/zinc/80/86/04/1076808604.db2.gz HGENJUGFDDNGDA-UHFFFAOYSA-N 1 0 423.579 2.234 20 0 HEADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000742303625 1076812590 /nfs/dbraw/zinc/81/25/90/1076812590.db2.gz KOVRVILCLPGYJY-YPMHNXCESA-N 1 0 419.341 2.339 20 0 HEADRO C[C@@H]1C[C@H](NS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC[N@@H+]1C ZINC000742308403 1076814411 /nfs/dbraw/zinc/81/44/11/1076814411.db2.gz FIMJXYRGJSPZEE-BHIYHBOVSA-N 1 0 409.552 2.190 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1Br ZINC000742309982 1076814557 /nfs/dbraw/zinc/81/45/57/1076814557.db2.gz SVNSXSCXSUZBQM-ZJUUUORDSA-N 1 0 423.304 2.136 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000742282491 1076815307 /nfs/dbraw/zinc/81/53/07/1076815307.db2.gz JPFWRJOUSPPJIX-HZPDHXFCSA-N 1 0 403.589 2.283 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)CC1 ZINC000742290348 1076818752 /nfs/dbraw/zinc/81/87/52/1076818752.db2.gz MLXGLOVKDFHQEV-UHFFFAOYSA-N 1 0 411.568 2.309 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000742297758 1076821477 /nfs/dbraw/zinc/82/14/77/1076821477.db2.gz VSQVKMOVIHSTCE-SFHVURJKSA-N 1 0 409.552 2.191 20 0 HEADRO C[C@H](CNS(=O)(=O)/C=C\c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000742314196 1076828347 /nfs/dbraw/zinc/82/83/47/1076828347.db2.gz WCLBPXOVUCDFRX-WASHYIJTSA-N 1 0 416.385 2.223 20 0 HEADRO Cc1cc(N2CC[C@@H](ON=C(N)c3cccc(C[NH+]4CCCCC4)c3)C2=O)n(C)n1 ZINC000742357063 1076829992 /nfs/dbraw/zinc/82/99/92/1076829992.db2.gz MDUQOAOJTTZUJR-LJQANCHMSA-N 1 0 410.522 2.366 20 0 HEADRO Cc1cc(N2CC[C@@H](ON=C(N)c3ccccc3C[NH+]3CCCCC3)C2=O)n(C)n1 ZINC000742356363 1076830116 /nfs/dbraw/zinc/83/01/16/1076830116.db2.gz ADEITMWSMWQBKT-LJQANCHMSA-N 1 0 410.522 2.366 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000742394066 1076833676 /nfs/dbraw/zinc/83/36/76/1076833676.db2.gz PUKAOQWMOCZZRW-UHFFFAOYSA-N 1 0 411.543 2.460 20 0 HEADRO Cc1nn(C)c(Cl)c1C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000742396678 1076834250 /nfs/dbraw/zinc/83/42/50/1076834250.db2.gz DWYXCVKLUMWSPD-UHFFFAOYSA-N 1 0 409.962 2.177 20 0 HEADRO Cc1cc([C@](C)(O)C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)c(C)o1 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1 0 415.600 2.298 20 0 HEADRO Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](C)C[NH+]3CCOCC3)C2=O)cc1 ZINC000767177845 1079711029 /nfs/dbraw/zinc/71/10/29/1079711029.db2.gz DGQWUBCMMCMJQD-HZGBGQKMSA-N 1 0 417.531 2.116 20 0 HEADRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(N(C)C)cc3)C2=O)C1 ZINC000772178846 1079727475 /nfs/dbraw/zinc/72/74/75/1079727475.db2.gz QQJJKSFGDMGZDB-XMSQKQJNSA-N 1 0 401.507 2.296 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000767195525 1079730730 /nfs/dbraw/zinc/73/07/30/1079730730.db2.gz JZVFFYQZHKZSKW-UWWQBHOKSA-N 1 0 401.960 2.499 20 0 HEADRO CC[NH+](CC)CCN(C)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170039757 1079758152 /nfs/dbraw/zinc/75/81/52/1079758152.db2.gz VPBUQDSZPAYCHJ-SJORKVTESA-N 1 0 414.616 2.171 20 0 HEADRO C[C@@H](CCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)[N@H+](C)Cc1ccccc1 ZINC000746531485 1079781620 /nfs/dbraw/zinc/78/16/20/1079781620.db2.gz HDOITOQWXDIUQL-UUOWRZLLSA-N 1 0 422.529 2.480 20 0 HEADRO COCCN(CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000767304015 1079801705 /nfs/dbraw/zinc/80/17/05/1079801705.db2.gz ZZSYMZQLHJHVSM-SFHVURJKSA-N 1 0 412.575 2.243 20 0 HEADRO COC(=O)/C=C\c1ccc(OCC[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000767315909 1079814194 /nfs/dbraw/zinc/81/41/94/1079814194.db2.gz APCPUMUFPLEZMS-SBSDFTTDSA-N 1 0 400.397 2.347 20 0 HEADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000767346395 1079824652 /nfs/dbraw/zinc/82/46/52/1079824652.db2.gz KEGTTXFZYGTFPY-ACRUOGEOSA-N 1 0 417.550 2.385 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000767350354 1079825656 /nfs/dbraw/zinc/82/56/56/1079825656.db2.gz HNEYSOSVAQVCBD-QGZVFWFLSA-N 1 0 416.584 2.038 20 0 HEADRO C[N@@H+]1CCC[C@H]1CCN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000767362609 1079829765 /nfs/dbraw/zinc/82/97/65/1079829765.db2.gz MRLKMVUTTAMFSZ-HNNXBMFYSA-N 1 0 405.486 2.496 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000772376170 1079852319 /nfs/dbraw/zinc/85/23/19/1079852319.db2.gz HGTFRNMKXFMQGL-FGTMMUONSA-N 1 0 423.602 2.242 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000767428501 1079858908 /nfs/dbraw/zinc/85/89/08/1079858908.db2.gz BQADZIGZFDHRGI-GOSISDBHSA-N 1 0 404.580 2.088 20 0 HEADRO C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772425953 1079869522 /nfs/dbraw/zinc/86/95/22/1079869522.db2.gz FZGOPMJAMBMCER-DLBZAZTESA-N 1 0 411.591 2.052 20 0 HEADRO C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NC[C@@H]4COCC[NH2+]4)c23)C1 ZINC001170043140 1079879330 /nfs/dbraw/zinc/87/93/30/1079879330.db2.gz UEFWZDCMSAUIGC-LSDHHAIUSA-N 1 0 417.579 2.049 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)C2=Cc3ccccc3OCC2)CC1 ZINC000772496304 1079884789 /nfs/dbraw/zinc/88/47/89/1079884789.db2.gz BRUSJQUGDXFOIO-UHFFFAOYSA-N 1 0 414.531 2.076 20 0 HEADRO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000772463974 1079889810 /nfs/dbraw/zinc/88/98/10/1079889810.db2.gz YAXYIFVQJMFBAF-BBWFWOEESA-N 1 0 412.575 2.261 20 0 HEADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)Nc3cnn(C(F)F)c3)c2)C1 ZINC000772465404 1079890608 /nfs/dbraw/zinc/89/06/08/1079890608.db2.gz HXWGJBPMCPWLKW-HNNXBMFYSA-N 1 0 406.437 2.297 20 0 HEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000804355429 1079891752 /nfs/dbraw/zinc/89/17/52/1079891752.db2.gz ZIPVJDDSJBIWCJ-JOCHJYFZSA-N 1 0 409.530 2.239 20 0 HEADRO CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000772475173 1079894604 /nfs/dbraw/zinc/89/46/04/1079894604.db2.gz ASHLRYXCLGVXCJ-SJORKVTESA-N 1 0 413.584 2.099 20 0 HEADRO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000767487397 1079904875 /nfs/dbraw/zinc/90/48/75/1079904875.db2.gz QTNBAKGDIKVAGI-MRXNPFEDSA-N 1 0 406.527 2.307 20 0 HEADRO Cc1ncc(CCNC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)s1 ZINC000772529922 1079915910 /nfs/dbraw/zinc/91/59/10/1079915910.db2.gz YHAHZSKVOKMMEI-UHFFFAOYSA-N 1 0 404.561 2.298 20 0 HEADRO Cc1ncc(CCNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)s1 ZINC000772536766 1079920018 /nfs/dbraw/zinc/92/00/18/1079920018.db2.gz GVSRMPFNKLMWBQ-UHFFFAOYSA-N 1 0 415.563 2.279 20 0 HEADRO Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000772610831 1079977186 /nfs/dbraw/zinc/97/71/86/1079977186.db2.gz DPBVQHMZKSXAQM-FQEVSTJZSA-N 1 0 412.538 2.187 20 0 HEADRO Cc1ncc(CCNC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)s1 ZINC000772623576 1079984991 /nfs/dbraw/zinc/98/49/91/1079984991.db2.gz NTDZKIFOLHPDTN-UHFFFAOYSA-N 1 0 409.600 2.120 20 0 HEADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000772647385 1080010371 /nfs/dbraw/zinc/01/03/71/1080010371.db2.gz XZWBPZMVOFHMIU-IBGZPJMESA-N 1 0 403.910 2.371 20 0 HEADRO CCOc1cc2c(cc1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)O[C@H](C)C2 ZINC000785497863 1080020915 /nfs/dbraw/zinc/02/09/15/1080020915.db2.gz 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CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000785518716 1080032426 /nfs/dbraw/zinc/03/24/26/1080032426.db2.gz XDTWDJKORSVYEI-ZWKOTPCHSA-N 1 0 424.586 2.178 20 0 HEADRO C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000785521008 1080033207 /nfs/dbraw/zinc/03/32/07/1080033207.db2.gz SDLRPLDQLPQWGL-QGZVFWFLSA-N 1 0 416.522 2.059 20 0 HEADRO C[C@@H](OCCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000785558618 1080057374 /nfs/dbraw/zinc/05/73/74/1080057374.db2.gz DUMHGZBMXHZFDJ-NQIIRXRSSA-N 1 0 417.550 2.030 20 0 HEADRO CCOC1CC(C[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)(N2CCOCC2)C1 ZINC000767734912 1080058047 /nfs/dbraw/zinc/05/80/47/1080058047.db2.gz DFCLBFXETSVDLM-UHFFFAOYSA-N 1 0 407.946 2.290 20 0 HEADRO C[C@](O)(CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000785581499 1080060185 /nfs/dbraw/zinc/06/01/85/1080060185.db2.gz VUGRCCLPPHPXDS-DEOSSOPVSA-N 1 0 409.530 2.313 20 0 HEADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC000767779151 1080085070 /nfs/dbraw/zinc/08/50/70/1080085070.db2.gz JCERSUQMIFFFOP-JOCHJYFZSA-N 1 0 414.525 2.496 20 0 HEADRO CCN(C(=O)COC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)C1CCCCC1 ZINC000785640370 1080086904 /nfs/dbraw/zinc/08/69/04/1080086904.db2.gz FJFMFKUCUIAYHO-MJGOQNOKSA-N 1 0 407.555 2.044 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2noc(-c3ccccc3C)n2)CC1=O ZINC000785644519 1080093117 /nfs/dbraw/zinc/09/31/17/1080093117.db2.gz CNVKJKUQJZPDFH-IAGOWNOFSA-N 1 0 412.490 2.421 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2noc(Cc3ccccc3)n2)CC1=O ZINC000785649683 1080099140 /nfs/dbraw/zinc/09/91/40/1080099140.db2.gz ZXPNKOJKGILICT-ZWKOTPCHSA-N 1 0 412.490 2.036 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1=O ZINC000785651041 1080100484 /nfs/dbraw/zinc/10/04/84/1080100484.db2.gz STXGHJWYDHKRAD-IIAWOOMASA-N 1 0 423.460 2.168 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)c2cccc(OC(F)F)c2)CC1=O ZINC000785651904 1080106850 /nfs/dbraw/zinc/10/68/50/1080106850.db2.gz HQPGOLRHWJTQDZ-HZPDHXFCSA-N 1 0 424.444 2.347 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O ZINC000785651826 1080107421 /nfs/dbraw/zinc/10/74/21/1080107421.db2.gz GZPMFLQBHOMYBG-ROUUACIJSA-N 1 0 401.507 2.118 20 0 HEADRO CO[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170048648 1080121025 /nfs/dbraw/zinc/12/10/25/1080121025.db2.gz RJJWAUBKMDWXEM-IKGGRYGDSA-N 1 0 413.584 2.398 20 0 HEADRO Cn1ccnc1[C@H]1CCCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000767835356 1080151542 /nfs/dbraw/zinc/15/15/42/1080151542.db2.gz KFIGCVHCNVSUAH-SFTDATJTSA-N 1 0 410.566 2.298 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)Nc2c(C)cccc2Cl)CC1=O ZINC000785658119 1080178523 /nfs/dbraw/zinc/17/85/23/1080178523.db2.gz XKLILCSMGFPRTD-JKSUJKDBSA-N 1 0 421.925 2.463 20 0 HEADRO C[C@H](CNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)C[NH+]1CCCC1 ZINC000767860878 1080184185 /nfs/dbraw/zinc/18/41/85/1080184185.db2.gz ZFPIBWOAIPZKKY-CSNJMZFVSA-N 1 0 407.555 2.297 20 0 HEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000767885311 1080201538 /nfs/dbraw/zinc/20/15/38/1080201538.db2.gz RWNJUWHFKUWKMC-CSNJMZFVSA-N 1 0 407.555 2.295 20 0 HEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000767885313 1080202060 /nfs/dbraw/zinc/20/20/60/1080202060.db2.gz RWNJUWHFKUWKMC-OOKSDGMUSA-N 1 0 407.555 2.295 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000767885955 1080202704 /nfs/dbraw/zinc/20/27/04/1080202704.db2.gz WOGIWPLVAQMOFQ-JTSKRJEESA-N 1 0 404.555 2.179 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000785730484 1080204102 /nfs/dbraw/zinc/20/41/02/1080204102.db2.gz GRWJKSSBCUQJIT-RTBURBONSA-N 1 0 401.551 2.492 20 0 HEADRO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000767918259 1080215285 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BYMSZBGHYGHQBF-YSSFQJQWSA-N 1 0 416.522 2.381 20 0 HEADRO CN(CCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)OC(C)(C)C ZINC000767947826 1080238257 /nfs/dbraw/zinc/23/82/57/1080238257.db2.gz LZYKLWCWKUTYGF-ZWKOTPCHSA-N 1 0 412.575 2.311 20 0 HEADRO C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000785782595 1080244327 /nfs/dbraw/zinc/24/43/27/1080244327.db2.gz ZCZBVCCJJSTBFO-DNVCBOLYSA-N 1 0 407.470 2.117 20 0 HEADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C)[NH+]1CCCC1 ZINC000767976390 1080245435 /nfs/dbraw/zinc/24/54/35/1080245435.db2.gz RARWHQAPCKUPFP-IBGZPJMESA-N 1 0 420.529 2.483 20 0 HEADRO CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000767984772 1080248370 /nfs/dbraw/zinc/24/83/70/1080248370.db2.gz YBJXFXVMZSBVID-SFHVURJKSA-N 1 0 406.502 2.093 20 0 HEADRO C[NH2+]Cc1c(C)nn([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)c1C ZINC001170050635 1080251057 /nfs/dbraw/zinc/25/10/57/1080251057.db2.gz KGZCJISQZCSZOF-WBVHZDCISA-N 1 0 423.583 2.303 20 0 HEADRO CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000767968239 1080256811 /nfs/dbraw/zinc/25/68/11/1080256811.db2.gz LESNZQGIHZHLSV-UHFFFAOYSA-N 1 0 414.481 2.104 20 0 HEADRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767989406 1080259570 /nfs/dbraw/zinc/25/95/70/1080259570.db2.gz IYQPOYZUCSKLPP-UHFFFAOYSA-N 1 0 422.576 2.144 20 0 HEADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000767991935 1080262678 /nfs/dbraw/zinc/26/26/78/1080262678.db2.gz UIDFHQWDWUHRBT-GXSJLCMTSA-N 1 0 401.692 2.179 20 0 HEADRO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000768033045 1080276494 /nfs/dbraw/zinc/27/64/94/1080276494.db2.gz ZODDJZGTXUOYDI-HZPDHXFCSA-N 1 0 407.511 2.272 20 0 HEADRO Cc1cc(NC(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)n(C2CC[NH+](C)CC2)n1 ZINC000785844746 1080278201 /nfs/dbraw/zinc/27/82/01/1080278201.db2.gz LPFZEPOFEOOJTA-XOBRGWDASA-N 1 0 415.494 2.431 20 0 HEADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N3CCCC4(C3)OCCO4)CC2)c1 ZINC000768037560 1080278791 /nfs/dbraw/zinc/27/87/91/1080278791.db2.gz VKRAOTRMWMEMLQ-UHFFFAOYSA-N 1 0 416.566 2.446 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)N(C[C@@H](C)O)[C@H](C)CO)cc2Cl)CC1 ZINC000785846949 1080279148 /nfs/dbraw/zinc/27/91/48/1080279148.db2.gz ZDWNDJGLTUWVIF-HZPDHXFCSA-N 1 0 412.962 2.468 20 0 HEADRO CN1CC[NH+](CC2CCN(C(=O)CN(CC3CC3)C(=O)OC(C)(C)C)CC2)CC1 ZINC000742655529 1080282502 /nfs/dbraw/zinc/28/25/02/1080282502.db2.gz SADYPGIGDFQMCE-UHFFFAOYSA-N 1 0 408.587 2.120 20 0 HEADRO COC(=O)c1ccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)c(Br)c1 ZINC000785858851 1080284807 /nfs/dbraw/zinc/28/48/07/1080284807.db2.gz SDZAEDXQWQQKGA-UHFFFAOYSA-N 1 0 424.299 2.316 20 0 HEADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]3(O)CCc4ccccc4C3)cc2)CC1 ZINC000785860928 1080286307 /nfs/dbraw/zinc/28/63/07/1080286307.db2.gz ZILMHVWKHDOJCX-RUZDIDTESA-N 1 0 407.558 2.360 20 0 HEADRO Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000768020938 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PFVMIVWIRXDEJF-UHFFFAOYSA-N 1 0 413.497 2.002 20 0 HEADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@@]3(O)CCc4ccccc4C3)cc2)CC1 ZINC000786037709 1080381774 /nfs/dbraw/zinc/38/17/74/1080381774.db2.gz KZUOJZWMQMSMGH-RUZDIDTESA-N 1 0 421.541 2.285 20 0 HEADRO C[N@H+](CCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)C1CCCC1 ZINC000768168212 1080382061 /nfs/dbraw/zinc/38/20/61/1080382061.db2.gz XHSZKZPCHAHHES-UHFFFAOYSA-N 1 0 403.708 2.427 20 0 HEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)CC1 ZINC000786039153 1080382829 /nfs/dbraw/zinc/38/28/29/1080382829.db2.gz QTONFLMMQRPATI-YRNRMSPPSA-N 1 0 420.504 2.475 20 0 HEADRO COc1cc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC(C)C ZINC000768174487 1080385617 /nfs/dbraw/zinc/38/56/17/1080385617.db2.gz QCPGJBUTDQPTMS-GOSISDBHSA-N 1 0 419.522 2.181 20 0 HEADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786087738 1080388662 /nfs/dbraw/zinc/38/86/62/1080388662.db2.gz XACXEFUCGAUNJJ-QAPCUYQASA-N 1 0 422.570 2.024 20 0 HEADRO C[C@H]([NH2+]CCNC(=O)c1ccco1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768200836 1080390069 /nfs/dbraw/zinc/39/00/69/1080390069.db2.gz RETWABUZPLRKES-QFBILLFUSA-N 1 0 401.463 2.025 20 0 HEADRO CN1CC[N@H+](CCCNC(=O)N[C@@H]2CCCC3(C2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000768201942 1080391376 /nfs/dbraw/zinc/39/13/76/1080391376.db2.gz MHPIVDVNDSQENJ-NHCUHLMSSA-N 1 0 416.566 2.350 20 0 HEADRO COc1cc(NC(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)cc(OC)c1 ZINC000786097715 1080392811 /nfs/dbraw/zinc/39/28/11/1080392811.db2.gz YKBAXSGSVDUBQP-UHFFFAOYSA-N 1 0 406.479 2.221 20 0 HEADRO C[N@H+](CCN1CCN(C(=O)[C@@]2(O)CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000786098718 1080393349 /nfs/dbraw/zinc/39/33/49/1080393349.db2.gz ITABSQGANBQRQR-RUZDIDTESA-N 1 0 407.558 2.183 20 0 HEADRO C[C@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)NC(=O)Nc1ccccc1 ZINC000786099331 1080394828 /nfs/dbraw/zinc/39/48/28/1080394828.db2.gz UVSMHCOSNKGLER-INIZCTEOSA-N 1 0 403.479 2.302 20 0 HEADRO CCOC(=O)c1ccc(NC(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000786099917 1080395206 /nfs/dbraw/zinc/39/52/06/1080395206.db2.gz MLYDTXIXTDIVHW-UHFFFAOYSA-N 1 0 418.490 2.380 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](c2ccccc2)N2CCN(C)CC2)CC1 ZINC001169989112 1080396674 /nfs/dbraw/zinc/39/66/74/1080396674.db2.gz BJIMWMYCLLDMHN-QFIPXVFZSA-N 1 0 414.594 2.079 20 0 HEADRO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786110282 1080403073 /nfs/dbraw/zinc/40/30/73/1080403073.db2.gz ZERTUIKFUAHTMF-YLJYHZDGSA-N 1 0 403.523 2.309 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C1 ZINC000746571536 1080410969 /nfs/dbraw/zinc/41/09/69/1080410969.db2.gz XWQOXGWVIMYHFX-MRXNPFEDSA-N 1 0 409.914 2.025 20 0 HEADRO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768195317 1080411269 /nfs/dbraw/zinc/41/12/69/1080411269.db2.gz BLAAVQMCDJRGJL-LAUBAEHRSA-N 1 0 415.534 2.403 20 0 HEADRO CC(=O)N1CCC(C[NH2+][C@H](C)[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 ZINC000768215201 1080419043 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CC(=O)Nc1cc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)c(F)cc1F ZINC000786425943 1080596013 /nfs/dbraw/zinc/59/60/13/1080596013.db2.gz CLZRPPJHQVHSLE-UHFFFAOYSA-N 1 0 418.444 2.282 20 0 HEADRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c(Cl)n1 ZINC000768505143 1080596049 /nfs/dbraw/zinc/59/60/49/1080596049.db2.gz JLPWSYXFKKXTDU-UHFFFAOYSA-N 1 0 409.939 2.479 20 0 HEADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000786427060 1080596256 /nfs/dbraw/zinc/59/62/56/1080596256.db2.gz KPPHNOMHABBNKQ-UHFFFAOYSA-N 1 0 412.490 2.248 20 0 HEADRO COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000786442496 1080604969 /nfs/dbraw/zinc/60/49/69/1080604969.db2.gz BVZGCRUBVWKIKI-LLVKDONJSA-N 1 0 406.430 2.305 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@@H]4CCC[C@H]4[C@H]3C(=O)OC)cc2)CC1 ZINC000786444232 1080605420 /nfs/dbraw/zinc/60/54/20/1080605420.db2.gz KWSAYRQLMMZQGW-WEYGHZABSA-N 1 0 414.550 2.041 20 0 HEADRO CN1C(=O)C(=C(N)NOCc2nnc(-c3ccccc3Cl)o2)C(=[NH2+])C12CCCC2 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GYLSBJFLUNAERG-INIZCTEOSA-N 1 0 413.440 2.081 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000786733533 1080783175 /nfs/dbraw/zinc/78/31/75/1080783175.db2.gz AECLPFXNHSIJNA-HNNXBMFYSA-N 1 0 401.577 2.114 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000786736226 1080784314 /nfs/dbraw/zinc/78/43/14/1080784314.db2.gz QKUBBRJMDIZVCU-KRWDZBQOSA-N 1 0 413.588 2.116 20 0 HEADRO CC1(C)CC([N@@H+]2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)CC(C)(C)N1O ZINC001169995808 1080796373 /nfs/dbraw/zinc/79/63/73/1080796373.db2.gz WWCXRVWUCKQKCK-NLWGTHIKSA-N 1 0 409.571 2.268 20 0 HEADRO CCOC(CCNC(=O)C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1)OCC ZINC000786767562 1080808616 /nfs/dbraw/zinc/80/86/16/1080808616.db2.gz GWGIFZNLULYUAT-UHFFFAOYSA-N 1 0 411.587 2.251 20 0 HEADRO CCOC(CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C)OCC ZINC000786770156 1080811251 /nfs/dbraw/zinc/81/12/51/1080811251.db2.gz RRZULNLFUDNNSZ-SFHVURJKSA-N 1 0 405.539 2.015 20 0 HEADRO CN(CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(C(F)(F)F)cc1C=O ZINC000746608126 1080816170 /nfs/dbraw/zinc/81/61/70/1080816170.db2.gz CPGPBGHJXTWWFL-OAHLLOKOSA-N 1 0 413.440 2.135 20 0 HEADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000786774890 1080816555 /nfs/dbraw/zinc/81/65/55/1080816555.db2.gz BCKIINZPUKNOPA-NVXWUHKLSA-N 1 0 411.543 2.023 20 0 HEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000768845917 1080822572 /nfs/dbraw/zinc/82/25/72/1080822572.db2.gz JWTLPUKLFVYDBM-LNPFQXMTSA-N 1 0 408.502 2.158 20 0 HEADRO CC[NH+]1CCN([C@H](C)CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000746604043 1080822639 /nfs/dbraw/zinc/82/26/39/1080822639.db2.gz YRXURCSERVKCRS-CQSZACIVSA-N 1 0 422.986 2.029 20 0 HEADRO CC1(C(=O)OCc2nnnn2CC2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000768870913 1080825826 /nfs/dbraw/zinc/82/58/26/1080825826.db2.gz PDHXRGFFDQIKEG-UHFFFAOYSA-N 1 0 413.522 2.445 20 0 HEADRO CC(C)(C)c1ccc(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000786814200 1080840060 /nfs/dbraw/zinc/84/00/60/1080840060.db2.gz DCVUABYJTJKBSI-FQEVSTJZSA-N 1 0 401.551 2.360 20 0 HEADRO Cc1csc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1I ZINC000786852077 1080851588 /nfs/dbraw/zinc/85/15/88/1080851588.db2.gz VGQRFPWVPFPKES-GHMZBOCLSA-N 1 0 406.289 2.254 20 0 HEADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1cnn(-c2ccc(F)cc2)n1 ZINC000768917396 1080855919 /nfs/dbraw/zinc/85/59/19/1080855919.db2.gz KHJRDJXFMKNJBF-UTKZUKDTSA-N 1 0 409.465 2.019 20 0 HEADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc(N2CCOC2=O)c1 ZINC000768919698 1080856966 /nfs/dbraw/zinc/85/69/66/1080856966.db2.gz UCLTZXLGSYCCJE-TZIWHRDSSA-N 1 0 409.486 2.256 20 0 HEADRO O=C(COc1ccc2ccc(=O)oc2c1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000768919483 1080857077 /nfs/dbraw/zinc/85/70/77/1080857077.db2.gz RQNXVABFLMIUBU-PZJWPPBQSA-N 1 0 422.481 2.171 20 0 HEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)/C=C/c2ccccc2Br)CC1 ZINC000786868826 1080862150 /nfs/dbraw/zinc/86/21/50/1080862150.db2.gz JAZUDFJQOHDJER-NRUITVPNSA-N 1 0 416.385 2.365 20 0 HEADRO COC(=O)Nc1ccc(CNC(=O)COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000786877413 1080865845 /nfs/dbraw/zinc/86/58/45/1080865845.db2.gz BYSKHTJTBGFCEO-GOSISDBHSA-N 1 0 403.479 2.431 20 0 HEADRO C[C@@H](OC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000786878563 1080866267 /nfs/dbraw/zinc/86/62/67/1080866267.db2.gz FOZJHOQIQWMMND-APWZRJJASA-N 1 0 416.518 2.455 20 0 HEADRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000786893066 1080871868 /nfs/dbraw/zinc/87/18/68/1080871868.db2.gz UHGOKNMVGFMDPD-FQEVSTJZSA-N 1 0 413.518 2.145 20 0 HEADRO COCCOc1ccc(-n2nc(C)c(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)n2)cc1 ZINC000768958669 1080882904 /nfs/dbraw/zinc/88/29/04/1080882904.db2.gz YBJUTHYUIPMVLH-XLIONFOSSA-N 1 0 413.522 2.157 20 0 HEADRO CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000768961606 1080884123 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408.495 2.206 20 0 HEADRO C[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000787011771 1080929058 /nfs/dbraw/zinc/92/90/58/1080929058.db2.gz FKHAEMCZVPVZDX-CKNLXJGOSA-N 1 0 406.504 2.438 20 0 HEADRO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000769110546 1080938208 /nfs/dbraw/zinc/93/82/08/1080938208.db2.gz WAVMPEOKBNGFKD-DHIUTWEWSA-N 1 0 410.562 2.486 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000786989351 1080943700 /nfs/dbraw/zinc/94/37/00/1080943700.db2.gz LPOJJBFNHVCVEH-HNNXBMFYSA-N 1 0 411.543 2.022 20 0 HEADRO CC(C)c1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)nc(N(C)C)n1 ZINC001170067180 1080947505 /nfs/dbraw/zinc/94/75/05/1080947505.db2.gz YOSJNMMJHJEJAC-UHFFFAOYSA-N 1 0 414.535 2.368 20 0 HEADRO Cc1nccn1CCCN(C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746627981 1080957342 /nfs/dbraw/zinc/95/73/42/1080957342.db2.gz RMYWVQZGJKHIRD-HSZRJFAPSA-N 1 0 424.549 2.058 20 0 HEADRO COC(=O)[C@H](C)c1ccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)nc1 ZINC001170066737 1080958467 /nfs/dbraw/zinc/95/84/67/1080958467.db2.gz RARSLMXOIXTCES-CQSZACIVSA-N 1 0 414.487 2.060 20 0 HEADRO O=C(NCCc1ccc(Cl)nc1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769143344 1080958849 /nfs/dbraw/zinc/95/88/49/1080958849.db2.gz MAZYPPQJYWBXQL-OALUTQOASA-N 1 0 402.926 2.460 20 0 HEADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](Cc2[nH]nc3ccccc32)C1 ZINC000769192920 1080965840 /nfs/dbraw/zinc/96/58/40/1080965840.db2.gz RTAUACINRAATII-HNNXBMFYSA-N 1 0 401.511 2.416 20 0 HEADRO CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192197 1080967697 /nfs/dbraw/zinc/96/76/97/1080967697.db2.gz HZXBFZIMKGEUDK-SFHVURJKSA-N 1 0 418.538 2.498 20 0 HEADRO CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000769157935 1080975407 /nfs/dbraw/zinc/97/54/07/1080975407.db2.gz XNLIPVHIVLOMRV-OTWHNJEPSA-N 1 0 424.586 2.453 20 0 HEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000769157526 1080975841 /nfs/dbraw/zinc/97/58/41/1080975841.db2.gz WMOQIOTZNBYOIA-QRVBRYPASA-N 1 0 424.586 2.405 20 0 HEADRO CC(C)(C)OC(=O)NCC1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000769157505 1080975977 /nfs/dbraw/zinc/97/59/77/1080975977.db2.gz VVJXGDUASIKQEG-RTBURBONSA-N 1 0 424.586 2.311 20 0 HEADRO CC(C)(NC(=O)NCc1cccc(OCCN2CCOCC2)c1)C1CCOCC1 ZINC000787065488 1080976189 /nfs/dbraw/zinc/97/61/89/1080976189.db2.gz QPHOXOMQQQUDTK-UHFFFAOYSA-N 1 0 405.539 2.402 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000769158955 1080977104 /nfs/dbraw/zinc/97/71/04/1080977104.db2.gz BZWUENYFUPSMIN-BPQIPLTHSA-N 1 0 412.575 2.309 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2=O)cc1 ZINC000769160487 1080978357 /nfs/dbraw/zinc/97/83/57/1080978357.db2.gz IRNCBDYGIXXGGR-HBMCJLEFSA-N 1 0 414.550 2.167 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000769165619 1080983555 /nfs/dbraw/zinc/98/35/55/1080983555.db2.gz ZVKCHKGZCWLRCO-YTQUADARSA-N 1 0 424.586 2.311 20 0 HEADRO CC(C)COC(=O)N1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000769167138 1080984977 /nfs/dbraw/zinc/98/49/77/1080984977.db2.gz QEROZCPGTGGSPJ-WOJBJXKFSA-N 1 0 424.586 2.264 20 0 HEADRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(-n3cnnn3)ccc2F)C12CCCCC2 ZINC001170002527 1081000947 /nfs/dbraw/zinc/00/09/47/1081000947.db2.gz NPJCYKVDIYNPKX-MSOLQXFVSA-N 1 0 402.474 2.457 20 0 HEADRO CC[C@H]1c2ccsc2CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787112282 1081005108 /nfs/dbraw/zinc/00/51/08/1081005108.db2.gz CTRBKCWXLBKJSP-AEFFLSMTSA-N 1 0 405.564 2.344 20 0 HEADRO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787112169 1081005432 /nfs/dbraw/zinc/00/54/32/1081005432.db2.gz CAMXXXDBXSJGNZ-YOEHRIQHSA-N 1 0 409.477 2.244 20 0 HEADRO CCOc1cccc([C@H](C)NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000787117665 1081007102 /nfs/dbraw/zinc/00/71/02/1081007102.db2.gz RYGJGPKKDVQTIW-OXJNMPFZSA-N 1 0 403.523 2.022 20 0 HEADRO COc1ccccc1[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787120223 1081008980 /nfs/dbraw/zinc/00/89/80/1081008980.db2.gz BFEAKQIKYIQXDZ-QUCCMNQESA-N 1 0 415.534 2.118 20 0 HEADRO Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000787120089 1081009275 /nfs/dbraw/zinc/00/92/75/1081009275.db2.gz BPGWIGXWRADJRK-CZTZKLFOSA-N 1 0 413.562 2.459 20 0 HEADRO Cc1ccccc1OCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001109443240 1081010923 /nfs/dbraw/zinc/01/09/23/1081010923.db2.gz ZQADDUVOPCGVNH-JXDTVZCFSA-N 1 0 401.551 2.205 20 0 HEADRO CC(C)C1CCC2(CC1)NC(=O)N(CN1CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]31)C2=O ZINC000746638307 1081012278 /nfs/dbraw/zinc/01/22/78/1081012278.db2.gz OGHOFEKYPQQKGS-IHVJGOGVSA-N 1 0 406.571 2.264 20 0 HEADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000787101794 1081013145 /nfs/dbraw/zinc/01/31/45/1081013145.db2.gz FDFDWTRTIUGXNU-APWZRJJASA-N 1 0 409.477 2.292 20 0 HEADRO Cc1cc(N2CCC[C@@H](NC(=O)/C=C/c3ccc(OCC[NH+](C)C)cc3)C2)n(C)n1 ZINC000769287841 1081014030 /nfs/dbraw/zinc/01/40/30/1081014030.db2.gz UZTKZJOOXQXOHY-RGFVMQALSA-N 1 0 411.550 2.467 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1c(=O)oc2cc(Br)ccc21 ZINC000746638955 1081015951 /nfs/dbraw/zinc/01/59/51/1081015951.db2.gz VCYMBLLOBBVULY-YCPHGPKFSA-N 1 0 410.312 2.498 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000787131005 1081020146 /nfs/dbraw/zinc/02/01/46/1081020146.db2.gz RJSJRSGHIKYPBN-JOCHJYFZSA-N 1 0 413.562 2.227 20 0 HEADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000746639834 1081020799 /nfs/dbraw/zinc/02/07/99/1081020799.db2.gz HNNRCBKPGAAUNE-HNNXBMFYSA-N 1 0 405.495 2.210 20 0 HEADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000787137169 1081023319 /nfs/dbraw/zinc/02/33/19/1081023319.db2.gz KFPNBIDDABIRPV-QFIPXVFZSA-N 1 0 421.541 2.320 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000787141448 1081025391 /nfs/dbraw/zinc/02/53/91/1081025391.db2.gz VCRNOPJCZTTXCN-VQTJNVASSA-N 1 0 417.575 2.063 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CN1c2ccc(Br)cc2C(=O)C1=O ZINC000746646463 1081031287 /nfs/dbraw/zinc/03/12/87/1081031287.db2.gz GKSQHXAQDJJIFE-COXVUDFISA-N 1 0 422.323 2.119 20 0 HEADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000787158905 1081036679 /nfs/dbraw/zinc/03/66/79/1081036679.db2.gz OUDLWJCGIXQTEZ-ADKRDUOOSA-N 1 0 421.607 2.341 20 0 HEADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CSCCS2)C1 ZINC000787158142 1081036907 /nfs/dbraw/zinc/03/69/07/1081036907.db2.gz NEZLWXMYJCBIQY-APWZRJJASA-N 1 0 421.632 2.500 20 0 HEADRO CN(CCc1ccccc1F)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000787159248 1081037450 /nfs/dbraw/zinc/03/74/50/1081037450.db2.gz BHDCLCKWBQDMEH-UHFFFAOYSA-N 1 0 401.482 2.083 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)N2CCCC3(C2)OCCO3)cc1 ZINC000787159012 1081037937 /nfs/dbraw/zinc/03/79/37/1081037937.db2.gz WZAVJVDXDGHJLP-GOSISDBHSA-N 1 0 415.534 2.043 20 0 HEADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CSCCS3)cc2)C1 ZINC000787160340 1081038856 /nfs/dbraw/zinc/03/88/56/1081038856.db2.gz WJFYPUUJTZPYNT-VQIMIIECSA-N 1 0 421.632 2.500 20 0 HEADRO O=C(CCC(=O)N1CCOc2ccccc21)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000769313520 1081039488 /nfs/dbraw/zinc/03/94/88/1081039488.db2.gz HHIRCNRYDPZFSH-ICSRJNTNSA-N 1 0 415.534 2.076 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CN1C(=O)N[C@@](C)(c2cccc(Cl)c2)C1=O ZINC000746653970 1081041120 /nfs/dbraw/zinc/04/11/20/1081041120.db2.gz XUHYTCBGLBXNEY-WIRSXHRWSA-N 1 0 420.941 2.248 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000769327595 1081043737 /nfs/dbraw/zinc/04/37/37/1081043737.db2.gz CRPXBPHHGHAJQR-HOTGVXAUSA-N 1 0 400.976 2.265 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1c(=O)oc2ccc(Br)cc21 ZINC000746650027 1081047437 /nfs/dbraw/zinc/04/74/37/1081047437.db2.gz QQQJJHKBAYNSKT-CKEIUWERSA-N 1 0 410.312 2.498 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1c(=O)oc2ccc(Br)cc21 ZINC000746650029 1081047514 /nfs/dbraw/zinc/04/75/14/1081047514.db2.gz QQQJJHKBAYNSKT-CPUCHLNUSA-N 1 0 410.312 2.498 20 0 HEADRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000787191187 1081056711 /nfs/dbraw/zinc/05/67/11/1081056711.db2.gz PQLCCYDPORXHSN-UHFFFAOYSA-N 1 0 411.550 2.264 20 0 HEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cnc(Cl)n1C)c1cccc(OC)c1 ZINC000769390971 1081061280 /nfs/dbraw/zinc/06/12/80/1081061280.db2.gz WFWSIFGCXVTRRD-OAHLLOKOSA-N 1 0 400.932 2.444 20 0 HEADRO CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000787243833 1081067237 /nfs/dbraw/zinc/06/72/37/1081067237.db2.gz RABSXYRQIKCUTC-FUHWJXTLSA-N 1 0 412.575 2.430 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000769423002 1081069089 /nfs/dbraw/zinc/06/90/89/1081069089.db2.gz ITVVUHOCTRTUPD-CKEIUWERSA-N 1 0 420.000 2.349 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C2CCC(C(F)(F)F)CC2)C1 ZINC000769437867 1081074105 /nfs/dbraw/zinc/07/41/05/1081074105.db2.gz CEOSEYVKXOAWGD-UYSNPLJNSA-N 1 0 408.461 2.371 20 0 HEADRO Cn1c(Cl)ncc1S(=O)(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000769397571 1081077351 /nfs/dbraw/zinc/07/73/51/1081077351.db2.gz VBBGQKMPYFTJOQ-CQSZACIVSA-N 1 0 410.927 2.340 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000769491137 1081081483 /nfs/dbraw/zinc/08/14/83/1081081483.db2.gz YFECVPODXYBONP-KZNAEPCWSA-N 1 0 405.543 2.450 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1OC(C)C ZINC000787238846 1081084833 /nfs/dbraw/zinc/08/48/33/1081084833.db2.gz HZNRSLLAQJJYJI-GOSISDBHSA-N 1 0 403.523 2.232 20 0 HEADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](c3nccn3C)C2)c1 ZINC000787288625 1081093323 /nfs/dbraw/zinc/09/33/23/1081093323.db2.gz OWQNDDLWSAACIZ-HXUWFJFHSA-N 1 0 411.550 2.284 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000769493948 1081096141 /nfs/dbraw/zinc/09/61/41/1081096141.db2.gz CADIVEDOJLFDIF-NVXWUHKLSA-N 1 0 402.499 2.166 20 0 HEADRO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000787296536 1081096941 /nfs/dbraw/zinc/09/69/41/1081096941.db2.gz MPXPWQHLVIOLMH-CABCVRRESA-N 1 0 420.510 2.432 20 0 HEADRO CN(CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746666870 1081099650 /nfs/dbraw/zinc/09/96/50/1081099650.db2.gz AYDGRDMAGZRWJP-NRFANRHFSA-N 1 0 401.551 2.385 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000769519726 1081106424 /nfs/dbraw/zinc/10/64/24/1081106424.db2.gz NASZRTYLWNGCCA-APWZRJJASA-N 1 0 420.554 2.356 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769531625 1081112584 /nfs/dbraw/zinc/11/25/84/1081112584.db2.gz JNVOZYBWGHWDBK-QRQLOZEOSA-N 1 0 420.554 2.082 20 0 HEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000769534964 1081113021 /nfs/dbraw/zinc/11/30/21/1081113021.db2.gz ZVPBOCJWSLRKCA-QGZVFWFLSA-N 1 0 403.527 2.167 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000769569072 1081128211 /nfs/dbraw/zinc/12/82/11/1081128211.db2.gz BMFXRGHHHWZBEH-INIZCTEOSA-N 1 0 402.539 2.303 20 0 HEADRO CC[N@H+](CCO)CCNC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000769635764 1081154561 /nfs/dbraw/zinc/15/45/61/1081154561.db2.gz OUUPLKDRZKAJJB-UHFFFAOYSA-N 1 0 420.531 2.115 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)c3cnn4cc(Br)cnc34)cc2)CC1 ZINC000769614454 1081172705 /nfs/dbraw/zinc/17/27/05/1081172705.db2.gz KIVXWBHTDAVFTP-UHFFFAOYSA-N 1 0 415.295 2.496 20 0 HEADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164408777 718851576 /nfs/dbraw/zinc/85/15/76/718851576.db2.gz SYUQFKLBTZCGIQ-VFZGTOFNSA-N 1 0 405.232 2.379 20 0 HEADRO COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)c(Cl)nn2)cc1 ZINC001164410243 718854704 /nfs/dbraw/zinc/85/47/04/718854704.db2.gz ZKXDRMXVKVNSLB-UGSOOPFHSA-N 1 0 410.852 2.369 20 0 HEADRO COc1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c(Cl)nn2)cc1 ZINC001164410241 718854868 /nfs/dbraw/zinc/85/48/68/718854868.db2.gz ZKXDRMXVKVNSLB-FZKQIMNGSA-N 1 0 410.852 2.369 20 0 HEADRO CCOC(=O)c1ccc(C(F)(F)N2[C@H]3C[NH2+]C[C@@H]3C[C@H]2C(=O)OCC)c(Cl)n1 ZINC001164615927 719016875 /nfs/dbraw/zinc/01/68/75/719016875.db2.gz JUSXZBFGTVOSJQ-BPNCWPANSA-N 1 0 417.840 2.186 20 0 HEADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(CN2CCCCC2)nc2sc(C)c(C)c21 ZINC001164636078 719135671 /nfs/dbraw/zinc/13/56/71/719135671.db2.gz YEEKYLJBMJDNBR-OAHLLOKOSA-N 1 0 403.552 2.245 20 0 HEADRO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@@H]3O2)n1 ZINC001164642718 719260089 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Cc1ccc(N2CC[C@@H](NC(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)C2=O)cc1 ZINC000745824099 1078664799 /nfs/dbraw/zinc/66/47/99/1078664799.db2.gz FUOILUQWUSEJDW-VQTJNVASSA-N 1 0 400.523 2.043 20 0 HEADRO COc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769984460 1078673793 /nfs/dbraw/zinc/67/37/93/1078673793.db2.gz UXGDFQQCSHDYSY-HXUWFJFHSA-N 1 0 411.502 2.122 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)N3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000745855874 1078673833 /nfs/dbraw/zinc/67/38/33/1078673833.db2.gz ABNQAUSVALHYKQ-NRFANRHFSA-N 1 0 414.550 2.244 20 0 HEADRO C[NH+](C)C[C@H]1CN(C(=O)c2nccn3c(Br)cnc23)c2ccccc2O1 ZINC000769993259 1078677522 /nfs/dbraw/zinc/67/75/22/1078677522.db2.gz MTPIJHMWYOIMOK-LBPRGKRZSA-N 1 0 416.279 2.461 20 0 HEADRO CN1CCC(CNC(=O)NC[C@@H](O)c2c(F)cccc2F)([NH+]2CCCCC2)CC1 ZINC000745878342 1078681704 /nfs/dbraw/zinc/68/17/04/1078681704.db2.gz MOGMLPQPESFZLZ-GOSISDBHSA-N 1 0 410.509 2.248 20 0 HEADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 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CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000746210349 1078819913 /nfs/dbraw/zinc/81/99/13/1078819913.db2.gz OUMDRQABSULAIS-UHFFFAOYSA-N 1 0 408.495 2.490 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000746234678 1078826604 /nfs/dbraw/zinc/82/66/04/1078826604.db2.gz WATKAQIPTGHSRV-WMZHIEFXSA-N 1 0 417.550 2.387 20 0 HEADRO CC(C)(C)OC(=O)NC1(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCC1 ZINC000746227243 1078821799 /nfs/dbraw/zinc/82/17/99/1078821799.db2.gz WMJXKBBULPCXRF-LJQANCHMSA-N 1 0 417.550 2.359 20 0 HEADRO COC[C@H]([NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C(C)C ZINC001170013808 1078822826 /nfs/dbraw/zinc/82/28/26/1078822826.db2.gz KFQCCRIWRAOAPE-PMPSAXMXSA-N 1 0 401.573 2.158 20 0 HEADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000746220679 1078825160 /nfs/dbraw/zinc/82/51/60/1078825160.db2.gz YJCPYNZTXVPYRJ-VQIMIIECSA-N 1 0 405.539 2.025 20 0 HEADRO 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CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 ZINC000746277108 1078841790 /nfs/dbraw/zinc/84/17/90/1078841790.db2.gz FWMHQURNQQKPOZ-HNNXBMFYSA-N 1 0 419.547 2.091 20 0 HEADRO COC1CC[NH+](C(C)(C)CNC(=O)NC2CCC(O)(c3cccnc3)CC2)CC1 ZINC000770395442 1078841952 /nfs/dbraw/zinc/84/19/52/1078841952.db2.gz FLEPFRTXLHIGDX-UHFFFAOYSA-N 1 0 404.555 2.400 20 0 HEADRO O=C(COC(=O)c1ccc2nc(C(F)(F)F)cn2c1)NC1CC[NH+](C2CC2)CC1 ZINC000770422594 1078847014 /nfs/dbraw/zinc/84/70/14/1078847014.db2.gz HKPHAAKEHSQECU-UHFFFAOYSA-N 1 0 410.396 2.253 20 0 HEADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000770386604 1078849250 /nfs/dbraw/zinc/84/92/50/1078849250.db2.gz NSQUPOPFGXENIU-UYAOXDASSA-N 1 0 403.527 2.273 20 0 HEADRO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000770386243 1078849263 /nfs/dbraw/zinc/84/92/63/1078849263.db2.gz MDRWWLVXFUDBIA-NVXWUHKLSA-N 1 0 407.559 2.300 20 0 HEADRO CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000770387395 1078849733 /nfs/dbraw/zinc/84/97/33/1078849733.db2.gz PSQOCCFLXMCSPM-RTBURBONSA-N 1 0 416.522 2.032 20 0 HEADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1 ZINC000770443881 1078856211 /nfs/dbraw/zinc/85/62/11/1078856211.db2.gz MVEDRYIRIVQIHT-KRWDZBQOSA-N 1 0 412.519 2.433 20 0 HEADRO C[NH+]1CCN(Cc2ccc(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000746331269 1078861835 /nfs/dbraw/zinc/86/18/35/1078861835.db2.gz HPRFHLAKWVJFFV-UHFFFAOYSA-N 1 0 404.555 2.467 20 0 HEADRO CN(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746358928 1078874018 /nfs/dbraw/zinc/87/40/18/1078874018.db2.gz IDQRFDKOUIWZNO-KRWDZBQOSA-N 1 0 408.506 2.125 20 0 HEADRO COc1ccc(C2N=NC(=S)N2CC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000746338907 1078864275 /nfs/dbraw/zinc/86/42/75/1078864275.db2.gz BFVGCASHOXBNJU-OAHLLOKOSA-N 1 0 403.552 2.479 20 0 HEADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1Cl ZINC000746343523 1078867728 /nfs/dbraw/zinc/86/77/28/1078867728.db2.gz FSAJHXVKYNCJBM-HNNXBMFYSA-N 1 0 413.971 2.394 20 0 HEADRO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000746347404 1078867978 /nfs/dbraw/zinc/86/79/78/1078867978.db2.gz OHGMHGNMDKVXLA-RXVVDRJESA-N 1 0 412.534 2.375 20 0 HEADRO O=C(/C=C/c1cncc(O)c1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000770482944 1078876574 /nfs/dbraw/zinc/87/65/74/1078876574.db2.gz BVTIQPHIVKKVCG-ROUKRRSUSA-N 1 0 407.518 2.256 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)c3cccnc3I)CC2)c1 ZINC000770482829 1078876583 /nfs/dbraw/zinc/87/65/83/1078876583.db2.gz DUKLXANDLRTIHD-UHFFFAOYSA-N 1 0 424.242 2.052 20 0 HEADRO CC(C)OCC[NH+]1CCC(NC(=O)c2cccnc2I)CC1 ZINC000770555036 1078880204 /nfs/dbraw/zinc/88/02/04/1078880204.db2.gz RNCFIPDETMBWCS-UHFFFAOYSA-N 1 0 417.291 2.305 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(OC(F)(F)F)c(N)c2)CC1 ZINC000770520147 1078882101 /nfs/dbraw/zinc/88/21/01/1078882101.db2.gz MTTIQAQWEQMJOC-UHFFFAOYSA-N 1 0 403.401 2.313 20 0 HEADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1ccnn1CC1CC1 ZINC000746379680 1078884997 /nfs/dbraw/zinc/88/49/97/1078884997.db2.gz PZXATLSFRSLBFT-UHFFFAOYSA-N 1 0 405.449 2.100 20 0 HEADRO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1=O ZINC000746383133 1078886334 /nfs/dbraw/zinc/88/63/34/1078886334.db2.gz RETLOXFEWJMDDO-MBSDFSHPSA-N 1 0 414.550 2.474 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000770588502 1078899198 /nfs/dbraw/zinc/89/91/98/1078899198.db2.gz APZCPVYGTINPOD-ZWKOTPCHSA-N 1 0 411.591 2.053 20 0 HEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766347547 1078890990 /nfs/dbraw/zinc/89/09/90/1078890990.db2.gz ODFSJWZZGWCDEG-PZJWPPBQSA-N 1 0 416.566 2.177 20 0 HEADRO C[C@H](OC(=O)c1ccc(-c2nc[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000770565670 1078892902 /nfs/dbraw/zinc/89/29/02/1078892902.db2.gz LVBIUWMDYYTWDI-JXFKEZNVSA-N 1 0 419.485 2.408 20 0 HEADRO C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000766355746 1078910993 /nfs/dbraw/zinc/91/09/93/1078910993.db2.gz QFDLREBUXACOAP-TZIWHRDSSA-N 1 0 416.566 2.035 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000770604512 1078913096 /nfs/dbraw/zinc/91/30/96/1078913096.db2.gz JPUAMLHLLONIJM-KZNAEPCWSA-N 1 0 411.591 2.052 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770625949 1078920926 /nfs/dbraw/zinc/92/09/26/1078920926.db2.gz NUUPUISHTCICDE-ICSRJNTNSA-N 1 0 401.507 2.015 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766363169 1078925002 /nfs/dbraw/zinc/92/50/02/1078925002.db2.gz HAJUTOHISJZNAN-VAMGGRTRSA-N 1 0 401.507 2.015 20 0 HEADRO CO[C@H](C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C(C)(C)C ZINC000766370881 1078937154 /nfs/dbraw/zinc/93/71/54/1078937154.db2.gz XLRYRCLXZPQHPR-CZUORRHYSA-N 1 0 406.570 2.124 20 0 HEADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)CC1)CC1CC1 ZINC000770722030 1078949195 /nfs/dbraw/zinc/94/91/95/1078949195.db2.gz ZPTXQUDLEIHOKQ-UHFFFAOYSA-N 1 0 412.556 2.027 20 0 HEADRO COCC[N@H+](C)CCCC1CCN(Cn2nnc3sc(C)c(C)c3c2=O)CC1 ZINC000766375940 1078943289 /nfs/dbraw/zinc/94/32/89/1078943289.db2.gz WLAMCPFBETUVAQ-UHFFFAOYSA-N 1 0 407.584 2.498 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2CC[C@@]3(C2)COCc2c(C)nc(N(C)C)nc23)CC1 ZINC001168783008 1078968986 /nfs/dbraw/zinc/96/89/86/1078968986.db2.gz ZXNKGGSRPCOGQK-UVOAEELBSA-N 1 0 402.539 2.447 20 0 HEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C[C@H]1C ZINC000766424021 1078974353 /nfs/dbraw/zinc/97/43/53/1078974353.db2.gz PRHOJDHRFURMTP-CHWSQXEVSA-N 1 0 422.473 2.474 20 0 HEADRO O=C(Nc1c(F)cccc1-n1cccn1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000746451892 1078977217 /nfs/dbraw/zinc/97/72/17/1078977217.db2.gz JEOZYVVFYGANKR-QAPCUYQASA-N 1 0 411.481 2.425 20 0 HEADRO [NH3+]Cc1ccc2nnn(-c3ccc4ccn(S(=O)(=O)c5ccccc5)c4n3)c2c1 ZINC001170016948 1078981476 /nfs/dbraw/zinc/98/14/76/1078981476.db2.gz OFJACDCZDNUPAZ-UHFFFAOYSA-N 1 0 404.455 2.466 20 0 HEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccnc1-c1cnn(C)c1 ZINC001168790973 1078988646 /nfs/dbraw/zinc/98/86/46/1078988646.db2.gz AVSWSFVSOQOMBI-QHCPKHFHSA-N 1 0 405.502 2.191 20 0 HEADRO Cc1ncn(-c2ccc(CN3C(=O)NC4(CCCC4)C3=O)cn2)c1CSCC[NH3+] ZINC001168786669 1078991416 /nfs/dbraw/zinc/99/14/16/1078991416.db2.gz QWJXETAYGBTLMM-UHFFFAOYSA-N 1 0 414.535 2.132 20 0 HEADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804279114 1078994126 /nfs/dbraw/zinc/99/41/26/1078994126.db2.gz OIHCAIISKRMZRC-HXUWFJFHSA-N 1 0 408.546 2.397 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCc3ccc([C@H](C)O)cc3)c2)CC1 ZINC000770745773 1079002435 /nfs/dbraw/zinc/00/24/35/1079002435.db2.gz OZGSZTZDUSSKQR-KRWDZBQOSA-N 1 0 410.518 2.137 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cc(Cl)ccc1Br ZINC000766456721 1079009837 /nfs/dbraw/zinc/00/98/37/1079009837.db2.gz AEJBLPYULPNOHT-VXGBXAGGSA-N 1 0 416.703 2.020 20 0 HEADRO CCOC(=O)C1=C(CN2CC[N@H+](C)C[C@@H]2C(C)C)NC(=O)N[C@@H]1c1ccccc1 ZINC000746461977 1079014553 /nfs/dbraw/zinc/01/45/53/1079014553.db2.gz ILHAGJUDDJHDDC-UYAOXDASSA-N 1 0 400.523 2.130 20 0 HEADRO COc1ccccc1-n1cnn(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1=S ZINC000738214764 1079016863 /nfs/dbraw/zinc/01/68/63/1079016863.db2.gz RCYIZCLTQHPPKW-QGZVFWFLSA-N 1 0 402.568 2.081 20 0 HEADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)c1ccncc1 ZINC000766489036 1079027206 /nfs/dbraw/zinc/02/72/06/1079027206.db2.gz QIFMUCQJVKFMLF-GJZGRUSLSA-N 1 0 411.549 2.262 20 0 HEADRO COCOc1ccc(OC)cc1C[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000766485761 1079036322 /nfs/dbraw/zinc/03/63/22/1079036322.db2.gz FXUKDRCCBZTQME-UHFFFAOYSA-N 1 0 414.549 2.424 20 0 HEADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000770849228 1079037369 /nfs/dbraw/zinc/03/73/69/1079037369.db2.gz HFDLEUPJRONOHS-GMAHTHKFSA-N 1 0 411.546 2.190 20 0 HEADRO O=C(N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000770853077 1079039276 /nfs/dbraw/zinc/03/92/76/1079039276.db2.gz LTLBZHVRSCTSEX-GOTSBHOMSA-N 1 0 412.530 2.105 20 0 HEADRO CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001168798767 1079039485 /nfs/dbraw/zinc/03/94/85/1079039485.db2.gz GSMKONMJAJHDSE-ICSRJNTNSA-N 1 0 403.567 2.472 20 0 HEADRO COc1ccc(CCNC(=O)[C@H](C)[NH+]2CCC(N(C)CC(F)F)CC2)cc1OC ZINC000746481372 1079040119 /nfs/dbraw/zinc/04/01/19/1079040119.db2.gz GZNWECPRZVGQKJ-HNNXBMFYSA-N 1 0 413.509 2.412 20 0 HEADRO CC(C)(C)OC(=O)N1CC(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000746014409 1079041021 /nfs/dbraw/zinc/04/10/21/1079041021.db2.gz DENWXWZPMYJFDQ-UHFFFAOYSA-N 1 0 416.566 2.177 20 0 HEADRO C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc(N2CCOC2=O)cc1 ZINC001168801217 1079041670 /nfs/dbraw/zinc/04/16/70/1079041670.db2.gz NLYLBWCOBWELED-AWEZNQCLSA-N 1 0 412.508 2.050 20 0 HEADRO C[C@H]([NH2+]C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC001168801251 1079041722 /nfs/dbraw/zinc/04/17/22/1079041722.db2.gz NRRLHPRSEHLFKF-IFXJQAMLSA-N 1 0 400.541 2.359 20 0 HEADRO CC(C)(C)OC(=O)N1CCc2c(C[NH+]3CCC(S(N)(=O)=O)CC3)cccc2C1 ZINC001168838066 1079049959 /nfs/dbraw/zinc/04/99/59/1079049959.db2.gz LPARNNQQSVBYMQ-UHFFFAOYSA-N 1 0 409.552 2.233 20 0 HEADRO CC(C)N1CC[NH+](C2CCN(Cc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)CC1 ZINC001168838542 1079049973 /nfs/dbraw/zinc/04/99/73/1079049973.db2.gz NYAYIMJVSVTTPJ-UHFFFAOYSA-N 1 0 420.623 2.118 20 0 HEADRO CN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC001168839441 1079050501 /nfs/dbraw/zinc/05/05/01/1079050501.db2.gz TXBMENOUZLNAML-UHFFFAOYSA-N 1 0 400.548 2.468 20 0 HEADRO C[C@@H]1C[C@@H]([N@H+]2CCc3nnc(Cn4cccc4)n3CC2)CN1C(=O)OC(C)(C)C ZINC001168855179 1079053584 /nfs/dbraw/zinc/05/35/84/1079053584.db2.gz JHELNODREORBLX-IAGOWNOFSA-N 1 0 400.527 2.384 20 0 HEADRO 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 ZINC001168858294 1079054800 /nfs/dbraw/zinc/05/48/00/1079054800.db2.gz PUEMRWDAQJHZBI-FJIDUMEYSA-N 1 0 403.527 2.072 20 0 HEADRO 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 ZINC001168858295 1079054881 /nfs/dbraw/zinc/05/48/81/1079054881.db2.gz PUEMRWDAQJHZBI-MLHJIOFPSA-N 1 0 403.527 2.072 20 0 HEADRO C[C@H]1C[C@@H]([NH+]2CCC3(CC2)CN(CC2CC2)C(=O)CO3)CN1C(=O)OC(C)(C)C ZINC001168868790 1079058552 /nfs/dbraw/zinc/05/85/52/1079058552.db2.gz UYVTZVVASSBWTG-FUHWJXTLSA-N 1 0 407.555 2.488 20 0 HEADRO C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)CN1C(=O)OC(C)(C)C ZINC001168869894 1079059509 /nfs/dbraw/zinc/05/95/09/1079059509.db2.gz YUKDHBOUAMPYAS-NXHRZFHOSA-N 1 0 417.554 2.256 20 0 HEADRO 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 ZINC001168849510 1079061008 /nfs/dbraw/zinc/06/10/08/1079061008.db2.gz KCNBJHKPWJXKQE-UKNAQKAOSA-N 1 0 407.555 2.390 20 0 HEADRO C[C@@H]1C[C@H]([N@@H+]2CCc3ncnc(N4CCOCC4)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168850591 1079061553 /nfs/dbraw/zinc/06/15/53/1079061553.db2.gz QPOKYIUSBIEFIB-SJORKVTESA-N 1 0 417.554 2.112 20 0 HEADRO CCOC(COc1cc(Cl)nnc1-n1nnc(-c2cccc(C[NH3+])c2)n1)OCC ZINC001168877835 1079066222 /nfs/dbraw/zinc/06/62/22/1079066222.db2.gz DWIRLCDTYXNZBH-UHFFFAOYSA-N 1 0 419.873 2.009 20 0 HEADRO COc1cccc(NC(=O)Cc2noc([C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000770959079 1079079463 /nfs/dbraw/zinc/07/94/63/1079079463.db2.gz SBFWDIHMBVLZIX-JOCHJYFZSA-N 1 0 408.458 2.353 20 0 HEADRO O=C1NCCN1c1cccc(-c2noc([C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000770918350 1079079851 /nfs/dbraw/zinc/07/98/51/1079079851.db2.gz LTTWJCFDAWVWNI-QFIPXVFZSA-N 1 0 405.458 2.360 20 0 HEADRO O=C1NCCN1c1cccc(-c2noc([C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000770918346 1079079954 /nfs/dbraw/zinc/07/99/54/1079079954.db2.gz LTTWJCFDAWVWNI-JOCHJYFZSA-N 1 0 405.458 2.360 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]CC(=O)NCc3cccc(OC)c3)CC2=O)cc1 ZINC001168916932 1079075073 /nfs/dbraw/zinc/07/50/73/1079075073.db2.gz VRKNQEDVNYJYLL-IBGZPJMESA-N 1 0 411.502 2.101 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CC[C@@H](Oc4ncc(F)cn4)C3)CC2=O)cc1 ZINC001168959405 1079091779 /nfs/dbraw/zinc/09/17/79/1079091779.db2.gz VREKDGVSGHJQFZ-IEBWSBKVSA-N 1 0 400.454 2.269 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@@H](Oc4ncc(F)cn4)C3)CC2=O)cc1 ZINC001168959407 1079091792 /nfs/dbraw/zinc/09/17/92/1079091792.db2.gz VREKDGVSGHJQFZ-PKOBYXMFSA-N 1 0 400.454 2.269 20 0 HEADRO COCC[N@H+](C1CCN(C(C)=O)CC1)[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168942562 1079081352 /nfs/dbraw/zinc/08/13/52/1079081352.db2.gz QWPLUCQQNMFUTN-NRFANRHFSA-N 1 0 417.550 2.146 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(c4ncccc4OC)CC3)CC2=O)cc1 ZINC001168945089 1079082821 /nfs/dbraw/zinc/08/28/21/1079082821.db2.gz DVVPFHFJYHEPNC-LJQANCHMSA-N 1 0 410.518 2.412 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 ZINC000766553211 1079083700 /nfs/dbraw/zinc/08/37/00/1079083700.db2.gz PYOBOQJOCRNNLM-JOCHJYFZSA-N 1 0 418.513 2.173 20 0 HEADRO COCC[N@H+](C)CCCC1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 ZINC000766542191 1079084184 /nfs/dbraw/zinc/08/41/84/1079084184.db2.gz SFWQIGNXKYFJIZ-UHFFFAOYSA-N 1 0 417.472 2.464 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@@]4(CCN4c4ncccn4)C3)CC2=O)cc1 ZINC001168929532 1079088226 /nfs/dbraw/zinc/08/82/26/1079088226.db2.gz JDXALNXJFJVKSS-WMZHIEFXSA-N 1 0 407.518 2.331 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CCC[C@@H](NC(=O)c4cccnc4)C3)CC2=O)cc1 ZINC001168957350 1079091212 /nfs/dbraw/zinc/09/12/12/1079091212.db2.gz YXHJLFRIQLKJQC-RTWAWAEBSA-N 1 0 422.529 2.476 20 0 HEADRO O=C(Cc1noc([C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1)NCCc1ccccc1 ZINC000770980853 1079094281 /nfs/dbraw/zinc/09/42/81/1079094281.db2.gz HFSFPKZIAKVELU-QHCPKHFHSA-N 1 0 406.486 2.065 20 0 HEADRO C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000770997306 1079098966 /nfs/dbraw/zinc/09/89/66/1079098966.db2.gz GUSCZNRTEVALCJ-KGLIPLIRSA-N 1 0 421.485 2.363 20 0 HEADRO CCOC(=O)CCc1c2cccc(-n3nc(CC[NH3+])nc3C)c2[nH]c1C(=O)OCC ZINC001168989349 1079101413 /nfs/dbraw/zinc/10/14/13/1079101413.db2.gz KHRZVAJJUIUFCN-UHFFFAOYSA-N 1 0 413.478 2.231 20 0 HEADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)c2C1 ZINC000746505734 1079108284 /nfs/dbraw/zinc/10/82/84/1079108284.db2.gz CUZCQICIECEXDJ-UHFFFAOYSA-N 1 0 400.504 2.094 20 0 HEADRO CC(C)(C)OC(=O)NCc1nc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC000771037689 1079111965 /nfs/dbraw/zinc/11/19/65/1079111965.db2.gz FCLCECSDRPAHNE-AWEZNQCLSA-N 1 0 410.540 2.151 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1nc(NCc2ccco2)ncc1Cl ZINC000771037631 1079112029 /nfs/dbraw/zinc/11/20/29/1079112029.db2.gz DTPIBEBIEUPHEA-CQSZACIVSA-N 1 0 405.886 2.318 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)N2CCOC3(CCCC3)C2)cc1)C1CC[NH+](C)CC1 ZINC000766581015 1079121135 /nfs/dbraw/zinc/12/11/35/1079121135.db2.gz DBQZXCWBEIXXHU-UHFFFAOYSA-N 1 0 414.550 2.327 20 0 HEADRO CSc1ccc([C@H](O)[C@H](CO)Nc2ccc(OCC[NH+]3CCCC3)nn2)cc1 ZINC001169087839 1079137169 /nfs/dbraw/zinc/13/71/69/1079137169.db2.gz JCPAGLPVAHTNBV-PXNSSMCTSA-N 1 0 404.536 2.180 20 0 HEADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000766595831 1079142600 /nfs/dbraw/zinc/14/26/00/1079142600.db2.gz QWTVLKSDPYIHTE-HZPDHXFCSA-N 1 0 408.506 2.123 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccccc2N2CCOC2=O)CC1 ZINC000766595859 1079142649 /nfs/dbraw/zinc/14/26/49/1079142649.db2.gz RGAFUMHQFFFRFW-UHFFFAOYSA-N 1 0 402.495 2.162 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCOC(F)(F)F)C[C@H]1C(=O)N1CCSC1 ZINC001170021397 1079144040 /nfs/dbraw/zinc/14/40/40/1079144040.db2.gz CZLRGQUUZVSEIX-NEPJUHHUSA-N 1 0 413.462 2.023 20 0 HEADRO CCCOCCC[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170021404 1079144115 /nfs/dbraw/zinc/14/41/15/1079144115.db2.gz DAUMULFPVSZLCZ-HOTGVXAUSA-N 1 0 401.573 2.304 20 0 HEADRO CC[NH+]1CCC(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771124037 1079144491 /nfs/dbraw/zinc/14/44/91/1079144491.db2.gz MFPRVNWEYNTSIY-FQEVSTJZSA-N 1 0 424.904 2.094 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128290 1079147156 /nfs/dbraw/zinc/14/71/56/1079147156.db2.gz CFTLOQXMBYZKCP-WEMPKCCASA-N 1 0 400.498 2.288 20 0 HEADRO 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 ZINC001169131779 1079151495 /nfs/dbraw/zinc/15/14/95/1079151495.db2.gz YZFBUDIBDYCKMR-WYADAEROSA-N 1 0 406.571 2.203 20 0 HEADRO O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746335359 1079152968 /nfs/dbraw/zinc/15/29/68/1079152968.db2.gz VUXYBLNBGWHODZ-VQTJNVASSA-N 1 0 408.420 2.190 20 0 HEADRO C[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C[NH+]1CCCC1 ZINC000771111866 1079157632 /nfs/dbraw/zinc/15/76/32/1079157632.db2.gz GOTNIXWTAGLKQK-XCLFUZPHSA-N 1 0 424.904 2.094 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)cc1F ZINC000766606952 1079157952 /nfs/dbraw/zinc/15/79/52/1079157952.db2.gz PUBFGNRPWYGGTM-UHFFFAOYSA-N 1 0 408.449 2.339 20 0 HEADRO COC(=O)[C@@](C)(N)Cc1cn(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)c2ccccc12 ZINC001169114588 1079161899 /nfs/dbraw/zinc/16/18/99/1079161899.db2.gz DAKAPBHFCFCRJM-DEOSSOPVSA-N 1 0 420.513 2.109 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001169160092 1079169271 /nfs/dbraw/zinc/16/92/71/1079169271.db2.gz AUCINKZTCPXNGZ-GJZGRUSLSA-N 1 0 401.486 2.482 20 0 HEADRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)CNc3ccc(S(C)(=O)=O)cc3)C2)c1 ZINC001169149873 1079166634 /nfs/dbraw/zinc/16/66/34/1079166634.db2.gz OYKUMHIUMGMUPG-IBGZPJMESA-N 1 0 401.532 2.201 20 0 HEADRO CC[C@@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ncccc1C ZINC001169168500 1079168039 /nfs/dbraw/zinc/16/80/39/1079168039.db2.gz NFNBOLCKGRUJRQ-IAGOWNOFSA-N 1 0 412.538 2.437 20 0 HEADRO O[C@@H](C[NH+]1CCC(Oc2cccc(Br)c2)CC1)C[C@]1(O)CCOC1 ZINC001169154802 1079168070 /nfs/dbraw/zinc/16/80/70/1079168070.db2.gz ZANDYDGQCBUGQA-CRAIPNDOSA-N 1 0 400.313 2.195 20 0 HEADRO C[NH+](C)CC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771115877 1079159501 /nfs/dbraw/zinc/15/95/01/1079159501.db2.gz FUKCETJUBLXLTI-HXUWFJFHSA-N 1 0 424.904 2.046 20 0 HEADRO C[C@@H]([NH3+])c1nc2ccccc2n1[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169161479 1079170614 /nfs/dbraw/zinc/17/06/14/1079170614.db2.gz DDMZNENUIFRQDW-HUUCEWRRSA-N 1 0 423.521 2.235 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc2c(ccn2C)c1 ZINC001169164905 1079173101 /nfs/dbraw/zinc/17/31/01/1079173101.db2.gz XDCGQKDFRSWQDU-INIZCTEOSA-N 1 0 422.533 2.274 20 0 HEADRO Cc1cc([C@H]2CCC[N@H+]2[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)no1 ZINC001169191364 1079179628 /nfs/dbraw/zinc/17/96/28/1079179628.db2.gz MPBNJKISQXDRJC-RHSMWYFYSA-N 1 0 414.510 2.126 20 0 HEADRO C[N@H+](CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C1CCCC1 ZINC000771158994 1079174878 /nfs/dbraw/zinc/17/48/78/1079174878.db2.gz CTHGCBFHEKVAJK-FQEVSTJZSA-N 1 0 424.904 2.237 20 0 HEADRO COc1ccccc1[C@H](C)[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169167230 1079175396 /nfs/dbraw/zinc/17/53/96/1079175396.db2.gz FKYJEGXYNLFYIM-CVEARBPZSA-N 1 0 413.522 2.352 20 0 HEADRO CC(=O)NC1CCC([N@H+](C)CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC001169187035 1079177101 /nfs/dbraw/zinc/17/71/01/1079177101.db2.gz BNDBILIXTOESIW-UHFFFAOYSA-N 1 0 400.523 2.287 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000771165951 1079181049 /nfs/dbraw/zinc/18/10/49/1079181049.db2.gz OOEPLIIWOACQOP-JGTBNHKDSA-N 1 0 406.474 2.462 20 0 HEADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771127460 1079182401 /nfs/dbraw/zinc/18/24/01/1079182401.db2.gz LQUFDZGMLZDING-VBKZILBWSA-N 1 0 424.904 2.189 20 0 HEADRO Cc1nc([C@@H](C)[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cs1 ZINC001169169960 1079185408 /nfs/dbraw/zinc/18/54/08/1079185408.db2.gz QQEIWQYTEVGIPQ-QWHCGFSZSA-N 1 0 404.540 2.108 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccc(F)c1F ZINC001169172127 1079186701 /nfs/dbraw/zinc/18/67/01/1079186701.db2.gz KCQQRIBKDZNYOE-ZDUSSCGKSA-N 1 0 405.449 2.061 20 0 HEADRO CCCC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170022442 1079187159 /nfs/dbraw/zinc/18/71/59/1079187159.db2.gz PMLPKXBHFUGYFT-XHSDSOJGSA-N 1 0 401.573 2.038 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCCc2ncccc21 ZINC001169172717 1079187348 /nfs/dbraw/zinc/18/73/48/1079187348.db2.gz UVTSSQOZOCPJRP-MAUKXSAKSA-N 1 0 410.522 2.055 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000771136066 1079187555 /nfs/dbraw/zinc/18/75/55/1079187555.db2.gz YSVWRVRXLVSCKE-QYZOEREBSA-N 1 0 403.571 2.448 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCCc2ncccc21 ZINC001169172718 1079187994 /nfs/dbraw/zinc/18/79/94/1079187994.db2.gz UVTSSQOZOCPJRP-QAPCUYQASA-N 1 0 410.522 2.055 20 0 HEADRO C[C@@H](C[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(O)cc1 ZINC001169172924 1079188190 /nfs/dbraw/zinc/18/81/90/1079188190.db2.gz AKFHUMMYHLMKRY-HOTGVXAUSA-N 1 0 413.522 2.091 20 0 HEADRO CC(C)[C@@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccnc1 ZINC001169178564 1079192038 /nfs/dbraw/zinc/19/20/38/1079192038.db2.gz ZFSSCQPKFHFMBQ-SJLPKXTDSA-N 1 0 412.538 2.374 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCC1)C(C)C ZINC000771195694 1079197374 /nfs/dbraw/zinc/19/73/74/1079197374.db2.gz RZUAKJOFTGYJOI-UHFFFAOYSA-N 1 0 402.539 2.488 20 0 HEADRO Cc1ccc2c(c1)CC[N@@H+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169221413 1079201277 /nfs/dbraw/zinc/20/12/77/1079201277.db2.gz UYOFJGOXCOYSOZ-KRWDZBQOSA-N 1 0 409.534 2.359 20 0 HEADRO C[C@@H]([NH3+])c1ccn(-c2ccc(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn2)n1 ZINC001169231263 1079204203 /nfs/dbraw/zinc/20/42/03/1079204203.db2.gz GZCUEVRIXZMKBV-GFCCVEGCSA-N 1 0 403.483 2.449 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000766642725 1079205277 /nfs/dbraw/zinc/20/52/77/1079205277.db2.gz BQFKMQLZJWILCD-PWRODBHTSA-N 1 0 415.534 2.093 20 0 HEADRO O=C(CC[NH2+][C@H](CO)C1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001169205194 1079205403 /nfs/dbraw/zinc/20/54/03/1079205403.db2.gz ANKZKDXUFWBFSU-HXUWFJFHSA-N 1 0 423.579 2.331 20 0 HEADRO CCN1CCC([NH+]2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@H]3C)CC1 ZINC001169248864 1079211467 /nfs/dbraw/zinc/21/14/67/1079211467.db2.gz CZHZBDVTPUGLIJ-IBGZPJMESA-N 1 0 400.567 2.456 20 0 HEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771180510 1079211801 /nfs/dbraw/zinc/21/18/01/1079211801.db2.gz UINVKNOZKUCDPP-RNODOKPDSA-N 1 0 424.904 2.046 20 0 HEADRO C[Si](C)(C)CCOCn1nnc2ncc(NCc3ncn4c3C[NH2+]CCC4)cc21 ZINC001169243758 1079210164 /nfs/dbraw/zinc/21/01/64/1079210164.db2.gz RRDMIVOGAOODNB-UHFFFAOYSA-N 1 0 414.590 2.441 20 0 HEADRO CCC(CC)[C@@H](C(=O)N1CC[NH2+][C@H](Cc2cccc(OC)c2)C1)N1CCOCC1 ZINC001169249997 1079211997 /nfs/dbraw/zinc/21/19/97/1079211997.db2.gz HCNGRPZKLCOIFS-IRLDBZIGSA-N 1 0 403.567 2.175 20 0 HEADRO C[C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CCO1 ZINC000771239038 1079221894 /nfs/dbraw/zinc/22/18/94/1079221894.db2.gz KXQFJAMEGCKJDD-DLBZAZTESA-N 1 0 402.539 2.087 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCc4ccc(F)cc4C3)cc2)CC1 ZINC000771243874 1079224787 /nfs/dbraw/zinc/22/47/87/1079224787.db2.gz PVWMRTREXAQICW-UHFFFAOYSA-N 1 0 410.493 2.491 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC23CN(C(=O)OC(C)(C)C)C3)CO1 ZINC001169312293 1079224906 /nfs/dbraw/zinc/22/49/06/1079224906.db2.gz AGIABKXORMXMNO-IKGGRYGDSA-N 1 0 412.527 2.103 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C)C(C)C ZINC000771218428 1079232595 /nfs/dbraw/zinc/23/25/95/1079232595.db2.gz ZJQAEHQOQDJJCA-IBGZPJMESA-N 1 0 402.539 2.342 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C)C(C)C ZINC000771218430 1079232699 /nfs/dbraw/zinc/23/26/99/1079232699.db2.gz ZJQAEHQOQDJJCA-LJQANCHMSA-N 1 0 402.539 2.342 20 0 HEADRO CO[C@]1(C(F)(F)F)CCC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001169333917 1079236743 /nfs/dbraw/zinc/23/67/43/1079236743.db2.gz VLMSYJFTOUYNPV-KBXCAEBGSA-N 1 0 402.413 2.354 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C(=O)OC)CO1 ZINC001169342171 1079239565 /nfs/dbraw/zinc/23/95/65/1079239565.db2.gz OKJVVHDONIBVHP-DZGCQCFKSA-N 1 0 400.269 2.436 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H](N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)CO1 ZINC001169344067 1079240358 /nfs/dbraw/zinc/24/03/58/1079240358.db2.gz SGFLIHKTSPOOMY-VQIMIIECSA-N 1 0 411.506 2.375 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H](N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)CO1 ZINC001169344064 1079240371 /nfs/dbraw/zinc/24/03/71/1079240371.db2.gz SGFLIHKTSPOOMY-APWZRJJASA-N 1 0 411.506 2.375 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H](n2cc([C@@H](C[NH3+])C(=O)OC)c3cc(OC)ccc32)CO1 ZINC001169351938 1079248902 /nfs/dbraw/zinc/24/89/02/1079248902.db2.gz ODJGBIATEAUIBX-CRFBAAHOSA-N 1 0 404.463 2.148 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)CO1 ZINC001169354363 1079249516 /nfs/dbraw/zinc/24/95/16/1079249516.db2.gz UCRFZNNBNPMTOQ-HIFRSBDPSA-N 1 0 400.269 2.436 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCC34CCC[NH+](CCC3)C4)=NO2)C1 ZINC001169403016 1079251167 /nfs/dbraw/zinc/25/11/67/1079251167.db2.gz UNTDMRSAKYZPJX-NRFANRHFSA-N 1 0 406.527 2.135 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)CO1 ZINC001169384867 1079257004 /nfs/dbraw/zinc/25/70/04/1079257004.db2.gz HETPHAJLEJHXLA-RTBURBONSA-N 1 0 401.507 2.007 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)CO1 ZINC001169389022 1079259385 /nfs/dbraw/zinc/25/93/85/1079259385.db2.gz BWXZEFZXUGYGAB-NMLBUPMWSA-N 1 0 423.579 2.227 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)CO1 ZINC001169388903 1079259502 /nfs/dbraw/zinc/25/95/02/1079259502.db2.gz QVNJOYUIUSNXQE-JLMWRMLUSA-N 1 0 402.491 2.235 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)CO1 ZINC001169392727 1079263073 /nfs/dbraw/zinc/26/30/73/1079263073.db2.gz QHFJZXAKGPCMSH-IPJJNNNSSA-N 1 0 401.507 2.007 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)CO1 ZINC001169398459 1079271953 /nfs/dbraw/zinc/27/19/53/1079271953.db2.gz RKVVYWSCJVBVNL-XQBPLPMBSA-N 1 0 401.507 2.007 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CC2)Cc2ccccc2CN(C)C3=O)CO1 ZINC001169399714 1079273373 /nfs/dbraw/zinc/27/33/73/1079273373.db2.gz WKQRHQCNCKRFPB-VQTJNVASSA-N 1 0 400.519 2.394 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)CO1 ZINC001169393812 1079266161 /nfs/dbraw/zinc/26/61/61/1079266161.db2.gz CZKBACAIAFURQP-RBUKOAKNSA-N 1 0 401.507 2.120 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)CO1 ZINC001169394736 1079266878 /nfs/dbraw/zinc/26/68/78/1079266878.db2.gz FOXFACYANVGSEI-JBPLPALLSA-N 1 0 404.507 2.251 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)CO1 ZINC001169396730 1079268759 /nfs/dbraw/zinc/26/87/59/1079268759.db2.gz LSUNDDQPPOBNMO-VHPHOLNESA-N 1 0 410.536 2.311 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)CO1 ZINC001169397441 1079269290 /nfs/dbraw/zinc/26/92/90/1079269290.db2.gz NQJAWKFWMUQFKX-MLHJIOFPSA-N 1 0 407.536 2.128 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](CCCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001169422054 1079280418 /nfs/dbraw/zinc/28/04/18/1079280418.db2.gz QBAQSZWDMMMVTH-KURKYZTESA-N 1 0 414.543 2.445 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H](N2CCC([NH2+]Cc3cccc(C(=O)OC)c3)CC2)CO1 ZINC001169424379 1079280743 /nfs/dbraw/zinc/28/07/43/1079280743.db2.gz ZCXBQPQZABAJGI-PMACEKPBSA-N 1 0 404.507 2.138 20 0 HEADRO O=C(COC(=O)Cc1cc(Br)ccc1F)NC1CC[NH+](C2CC2)CC1 ZINC000771383034 1079293965 /nfs/dbraw/zinc/29/39/65/1079293965.db2.gz WGCVBIMMMNUAIO-UHFFFAOYSA-N 1 0 413.287 2.417 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCOCCOCCOCCC(=O)OC(C)(C)C ZINC001169458119 1079305491 /nfs/dbraw/zinc/30/54/91/1079305491.db2.gz GMHNYIVHFJWDSY-SFHVURJKSA-N 1 0 418.575 2.005 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)NC1CCC(O)(c2cccnc2)CC1 ZINC000771341097 1079297568 /nfs/dbraw/zinc/29/75/68/1079297568.db2.gz QEZXPUQLCYZDSV-BLDKCIGBSA-N 1 0 416.566 2.279 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)n1cc(CC[NH3+])c2cc(CS(=O)(=O)NC)ccc21 ZINC001169437050 1079302922 /nfs/dbraw/zinc/30/29/22/1079302922.db2.gz JQEZBWZIIUNVMJ-HNNXBMFYSA-N 1 0 408.568 2.011 20 0 HEADRO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000766725453 1079303454 /nfs/dbraw/zinc/30/34/54/1079303454.db2.gz MIRKMACCJWLFPX-GUDVDZBRSA-N 1 0 401.511 2.448 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)CC1=O ZINC000766727279 1079305134 /nfs/dbraw/zinc/30/51/34/1079305134.db2.gz ZTBBWQMEAXIEBQ-JQERWDHBSA-N 1 0 405.514 2.087 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@H]2C[C@@H](C(=O)NCc3cccs3)O[C@@H]2C1 ZINC001169468120 1079308588 /nfs/dbraw/zinc/30/85/88/1079308588.db2.gz UNDBVYANHJVRPK-KCITZHQASA-N 1 0 407.580 2.491 20 0 HEADRO CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001169507612 1079316704 /nfs/dbraw/zinc/31/67/04/1079316704.db2.gz ALQREOATPWPBGY-LEOXJPRUSA-N 1 0 417.550 2.243 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@H]2C(=O)N(Cc3cccc(C)n3)CCO[C@H]2C1 ZINC001169473100 1079311089 /nfs/dbraw/zinc/31/10/89/1079311089.db2.gz URITZSXURIILCA-TYPHKJRUSA-N 1 0 416.566 2.086 20 0 HEADRO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO 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ZINC001169497373 1079314704 /nfs/dbraw/zinc/31/47/04/1079314704.db2.gz POXDRSIVWWTCFH-OYRHEFFESA-N 1 0 417.531 2.172 20 0 HEADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)c1cnccn1 ZINC001170026461 1079315064 /nfs/dbraw/zinc/31/50/64/1079315064.db2.gz NJUWLRPXIGFKSE-FMKPAKJESA-N 1 0 407.540 2.038 20 0 HEADRO CCOC(=O)C1(Nc2ncnc3cc(OC)c(OC(C)=O)cc32)CC[NH+](C)CC1 ZINC001169491426 1079320702 /nfs/dbraw/zinc/32/07/02/1079320702.db2.gz QBYHVFAFXUXLEB-UHFFFAOYSA-N 1 0 402.451 2.003 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771397471 1079321823 /nfs/dbraw/zinc/32/18/23/1079321823.db2.gz FWGVZNOOCNEWQC-RNODOKPDSA-N 1 0 424.904 2.046 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771403707 1079324439 /nfs/dbraw/zinc/32/44/39/1079324439.db2.gz UUCAUEQBECISER-VBKZILBWSA-N 1 0 424.904 2.189 20 0 HEADRO COc1ccc(NC(=O)c2nc3c(s2)CC[N@@H+]([C@@H]2CCN(C(C)=O)C2)CC3)cc1 ZINC001169536262 1079325395 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MTCSDLBQBBOLAF-NQIIRXRSSA-N 1 0 415.534 2.499 20 0 HEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767984822 1080275175 /nfs/dbraw/zinc/27/51/75/1080275175.db2.gz YLNHLDLWUWFDKF-JTQLQIEISA-N 1 0 403.708 2.427 20 0 HEADRO C[C@@H](O)CN(C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)[C@@H](C)CO ZINC000785850233 1080280735 /nfs/dbraw/zinc/28/07/35/1080280735.db2.gz WIDUIHYRBZKWNL-ZWKOTPCHSA-N 1 0 420.554 2.487 20 0 HEADRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)([NH+](C)C)C1 ZINC000768041582 1080307470 /nfs/dbraw/zinc/30/74/70/1080307470.db2.gz LGOHKDMOLASHLW-QKKBWIMNSA-N 1 0 406.502 2.093 20 0 HEADRO C[C@@H](CNC(=O)C(=O)NCCc1ccc(Br)s1)[NH+]1CCCCC1 ZINC000785973209 1080331338 /nfs/dbraw/zinc/33/13/38/1080331338.db2.gz VRHNHYMGZOMKNN-LBPRGKRZSA-N 1 0 402.358 2.160 20 0 HEADRO Cc1cc(C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(C)nn1 ZINC000786024899 1080339902 /nfs/dbraw/zinc/33/99/02/1080339902.db2.gz MKXWAGWCUWDXON-UHFFFAOYSA-N 1 0 400.504 2.438 20 0 HEADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CSCCS3)c2)CC1 ZINC000768109676 1080344143 /nfs/dbraw/zinc/34/41/43/1080344143.db2.gz XFTWMSMZAKSOMP-SFHVURJKSA-N 1 0 422.620 2.120 20 0 HEADRO CN(C)S(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1Cl ZINC000768110180 1080345374 /nfs/dbraw/zinc/34/53/74/1080345374.db2.gz OXMFOZOCORMVNB-UHFFFAOYSA-N 1 0 401.960 2.442 20 0 HEADRO C[N@H+](C1CC1)[C@H]1CCN([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170053828 1080351845 /nfs/dbraw/zinc/35/18/45/1080351845.db2.gz XKLOTULUMAILFG-KSZLIROESA-N 1 0 424.611 2.066 20 0 HEADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000768144321 1080351969 /nfs/dbraw/zinc/35/19/69/1080351969.db2.gz AMAWYNGLSRQTCV-SNVBAGLBSA-N 1 0 401.692 2.037 20 0 HEADRO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000785992584 1080353161 /nfs/dbraw/zinc/35/31/61/1080353161.db2.gz JOGAXKXQOKQEQM-MOPGFXCFSA-N 1 0 416.566 2.035 20 0 HEADRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC001170054339 1080367215 /nfs/dbraw/zinc/36/72/15/1080367215.db2.gz RJCHZOHPURYLSA-ROUUACIJSA-N 1 0 419.522 2.254 20 0 HEADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(O)CCc4ccccc4C3)cc2)C1 ZINC000786035253 1080381273 /nfs/dbraw/zinc/38/12/73/1080381273.db2.gz BVXKGJJGSRHSHR-GBXCKJPGSA-N 1 0 407.514 2.242 20 0 HEADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000768169321 1080382716 /nfs/dbraw/zinc/38/27/16/1080382716.db2.gz YQFZAYRJFIZJCT-STQMWFEESA-N 1 0 416.305 2.310 20 0 HEADRO COc1ccc([C@H](CNC(=O)N[C@@H]2CCCC3(C2)OCCO3)[NH+](C)C)cc1OC ZINC000768170596 1080383473 /nfs/dbraw/zinc/38/34/73/1080383473.db2.gz KPVHXXZGDBJIRB-SJORKVTESA-N 1 0 407.511 2.291 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000786089959 1080389733 /nfs/dbraw/zinc/38/97/33/1080389733.db2.gz TVRQUHDIJLRPCG-GFCCVEGCSA-N 1 0 422.546 2.428 20 0 HEADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000742949718 1080394239 /nfs/dbraw/zinc/39/42/39/1080394239.db2.gz SZKAILPLPNGAEJ-DENIHFKCSA-N 1 0 419.529 2.087 20 0 HEADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCCC2(C1)OCCO2 ZINC000768209658 1080397829 /nfs/dbraw/zinc/39/78/29/1080397829.db2.gz SJSMFRHESTWBNR-OAQYLSRUSA-N 1 0 416.566 2.179 20 0 HEADRO CC(C)([NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C1CCOCC1 ZINC000786148752 1080424374 /nfs/dbraw/zinc/42/43/74/1080424374.db2.gz MBCCAGWVAOKZSO-SFHVURJKSA-N 1 0 400.585 2.130 20 0 HEADRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768224912 1080429377 /nfs/dbraw/zinc/42/93/77/1080429377.db2.gz UWESXQPCAUTYJZ-ICSRJNTNSA-N 1 0 405.539 2.113 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000786163555 1080434456 /nfs/dbraw/zinc/43/44/56/1080434456.db2.gz PWYVMYKGOOBACR-DLBZAZTESA-N 1 0 411.955 2.206 20 0 HEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)CC1 ZINC000786120398 1080436024 /nfs/dbraw/zinc/43/60/24/1080436024.db2.gz CKGJTJTYCYHSOC-KXBFYZLASA-N 1 0 406.477 2.086 20 0 HEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000768256971 1080444818 /nfs/dbraw/zinc/44/48/18/1080444818.db2.gz NVBNNYWFYVHUMN-UHFFFAOYSA-N 1 0 406.527 2.071 20 0 HEADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000768259546 1080446834 /nfs/dbraw/zinc/44/68/34/1080446834.db2.gz XLCKWOHOBLUMDD-FQEVSTJZSA-N 1 0 417.550 2.387 20 0 HEADRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000768270800 1080452397 /nfs/dbraw/zinc/45/23/97/1080452397.db2.gz CXBXCPFILPIOCH-GHMZBOCLSA-N 1 0 402.460 2.404 20 0 HEADRO C[C@@H]1[C@H](C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786184240 1080463327 /nfs/dbraw/zinc/46/33/27/1080463327.db2.gz VQNUMSMFMDMZTP-GUDVDZBRSA-N 1 0 408.587 2.260 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000786247171 1080487007 /nfs/dbraw/zinc/48/70/07/1080487007.db2.gz BNTKMDQTZJWRIU-XLIONFOSSA-N 1 0 414.554 2.014 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000768326986 1080488104 /nfs/dbraw/zinc/48/81/04/1080488104.db2.gz MIROWTUKVHEZGY-SFHVURJKSA-N 1 0 406.527 2.352 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(CCC(=O)OC)c2)CC1=O ZINC000786218464 1080503836 /nfs/dbraw/zinc/50/38/36/1080503836.db2.gz HBCSPMOSXRMHPJ-IEBWSBKVSA-N 1 0 401.507 2.064 20 0 HEADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC(O)(c3ccccc3)CC2)c1 ZINC000768317802 1080505320 /nfs/dbraw/zinc/50/53/20/1080505320.db2.gz AGBCTRRRIHJOQY-UHFFFAOYSA-N 1 0 424.545 2.171 20 0 HEADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(CC[NH+](C)C)cc3)C2=O)cc1 ZINC000786226324 1080507330 /nfs/dbraw/zinc/50/73/30/1080507330.db2.gz HOGXDIGLGJAVAS-DEOSSOPVSA-N 1 0 422.529 2.183 20 0 HEADRO CC(=O)Nc1ccc(CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000786230720 1080509249 /nfs/dbraw/zinc/50/92/49/1080509249.db2.gz VXQAKXVPJHKIFY-DEOSSOPVSA-N 1 0 422.529 2.290 20 0 HEADRO C[C@](O)(C1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1)C(F)(F)F ZINC000768366781 1080515420 /nfs/dbraw/zinc/51/54/20/1080515420.db2.gz XVOMLHLKALQZJF-WMZOPIPTSA-N 1 0 407.477 2.365 20 0 HEADRO C[C@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000768425867 1080547002 /nfs/dbraw/zinc/54/70/02/1080547002.db2.gz NJUICSDVWRQBES-DLBZAZTESA-N 1 0 412.575 2.168 20 0 HEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CCC(O)(c2ccccc2)CC1 ZINC000768428416 1080550723 /nfs/dbraw/zinc/55/07/23/1080550723.db2.gz YJDXETBCRIYFIB-QFIPXVFZSA-N 1 0 409.530 2.446 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2F)CC1 ZINC000786333190 1080566585 /nfs/dbraw/zinc/56/65/85/1080566585.db2.gz KGDQSJLBFLHRSQ-UHFFFAOYSA-N 1 0 414.319 2.441 20 0 HEADRO CC(C)(C)OC(=O)NC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000786392910 1080583813 /nfs/dbraw/zinc/58/38/13/1080583813.db2.gz PAUQYKPQUCLWHA-DLBZAZTESA-N 1 0 422.570 2.073 20 0 HEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786394893 1080584946 /nfs/dbraw/zinc/58/49/46/1080584946.db2.gz XYKHLEYJKCFKBN-UHFFFAOYSA-N 1 0 424.586 2.273 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000786397839 1080585794 /nfs/dbraw/zinc/58/57/94/1080585794.db2.gz PDJRWRQRGBCBIN-CTNGQTDRSA-N 1 0 409.486 2.292 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1 ZINC000746583224 1080587428 /nfs/dbraw/zinc/58/74/28/1080587428.db2.gz WTJINGOSHUMBGP-UHFFFAOYSA-N 1 0 424.549 2.336 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)C1 ZINC000786408766 1080588990 /nfs/dbraw/zinc/58/89/90/1080588990.db2.gz HOOUJMZRELEKQJ-KRWDZBQOSA-N 1 0 424.586 2.273 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2ncc(Br)c(Br)c2=O)C1 ZINC000768502117 1080595344 /nfs/dbraw/zinc/59/53/44/1080595344.db2.gz LDGVZZZNELYARU-CMPLNLGQSA-N 1 0 420.149 2.142 20 0 HEADRO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1=O ZINC000768502023 1080595424 /nfs/dbraw/zinc/59/54/24/1080595424.db2.gz KJFGPFHVAMPGDZ-XWFZLUIHSA-N 1 0 400.523 2.226 20 0 HEADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2cccnc2Br)cc1 ZINC000786426816 1080596393 /nfs/dbraw/zinc/59/63/93/1080596393.db2.gz IXNGQKXFJXPNBK-UHFFFAOYSA-N 1 0 405.296 2.203 20 0 HEADRO CCc1ccc([C@]2(CC)NC(=O)N(CN3CCC(OCC[NH+](C)C)CC3)C2=O)cc1 ZINC000768494031 1080605326 /nfs/dbraw/zinc/60/53/26/1080605326.db2.gz MBVZUUCUTZOZAK-QHCPKHFHSA-N 1 0 416.566 2.406 20 0 HEADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)[C@H]2CC23CCOCC3)CC1 ZINC000786444882 1080607546 /nfs/dbraw/zinc/60/75/46/1080607546.db2.gz FPHBAYNMEQIBRU-HXUWFJFHSA-N 1 0 400.519 2.389 20 0 HEADRO C[C@H](OC(=O)Cc1n[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746587411 1080617769 /nfs/dbraw/zinc/61/77/69/1080617769.db2.gz XWZGLNKZGMBINF-FUHWJXTLSA-N 1 0 406.486 2.428 20 0 HEADRO CC(C)[NH+]1CCN(c2ccc(C(=O)OC[C@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000786487350 1080630025 /nfs/dbraw/zinc/63/00/25/1080630025.db2.gz ATBZIDRXJZTLSE-SFHVURJKSA-N 1 0 423.579 2.045 20 0 HEADRO CCOC(=O)C1(C(=O)O[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000768571454 1080638180 /nfs/dbraw/zinc/63/81/80/1080638180.db2.gz XRNSWUPOOWIINS-WMZOPIPTSA-N 1 0 402.491 2.042 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(N2CCOC2=O)ccc1F ZINC000768584076 1080666365 /nfs/dbraw/zinc/66/63/65/1080666365.db2.gz SOWLNQKGJSDPLJ-OALUTQOASA-N 1 0 405.470 2.280 20 0 HEADRO Cc1ccc(N2C[C@H](C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)CC2=O)cc1F ZINC000768584888 1080666825 /nfs/dbraw/zinc/66/68/25/1080666825.db2.gz WLQUJCAPYKWOMQ-MAODMQOUSA-N 1 0 417.525 2.371 20 0 HEADRO C[C@@H](C(=O)OCC1CC[NH+](Cc2ccco2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000772686180 1080707973 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ZINC001164890006 721414050 /nfs/dbraw/zinc/41/40/50/721414050.db2.gz RZRIRMBTUCYZIZ-CVDCTZTESA-N 1 0 411.550 2.404 20 0 HEADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1OC ZINC001164901303 721517076 /nfs/dbraw/zinc/51/70/76/721517076.db2.gz WNZUEKYAHYKOHZ-DOTOQJQBSA-N 1 0 401.438 2.358 20 0 HEADRO COC(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1OC ZINC001164899172 721517338 /nfs/dbraw/zinc/51/73/38/721517338.db2.gz KQZKRJJVTYGNMD-DOTOQJQBSA-N 1 0 401.438 2.358 20 0 HEADRO COC(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1OC ZINC001164899175 721517365 /nfs/dbraw/zinc/51/73/65/721517365.db2.gz KQZKRJJVTYGNMD-NVXWUHKLSA-N 1 0 401.438 2.358 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc(Oc4cccc(F)c4)n2)CC3)CC1 ZINC001164799168 721517632 /nfs/dbraw/zinc/51/76/32/721517632.db2.gz XUGCOQKAVOMLSY-UHFFFAOYSA-N 1 0 423.496 2.372 20 0 HEADRO Cc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc(-c2ccsc2)n1 ZINC001164796566 721520026 /nfs/dbraw/zinc/52/00/26/721520026.db2.gz ZXFYSWWTBWPBTD-UHFFFAOYSA-N 1 0 409.563 2.478 20 0 HEADRO COc1cc2ccnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2cc1F ZINC001164795181 721522174 /nfs/dbraw/zinc/52/21/74/721522174.db2.gz LFQBEGLGCQXPEJ-UHFFFAOYSA-N 1 0 410.497 2.347 20 0 HEADRO CSc1ccc2ncnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1 ZINC001164795172 721522234 /nfs/dbraw/zinc/52/22/34/721522234.db2.gz KXODENYUIMNQDK-UHFFFAOYSA-N 1 0 409.563 2.316 20 0 HEADRO COC(=O)c1nc2cnccc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905216 721540581 /nfs/dbraw/zinc/54/05/81/721540581.db2.gz GUUVAMCUHSJBHO-DOTOQJQBSA-N 1 0 423.448 2.292 20 0 HEADRO CON(C)C(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164910337 721559934 /nfs/dbraw/zinc/55/99/34/721559934.db2.gz WHOQJAOQRMDUEY-IEBWSBKVSA-N 1 0 400.454 2.196 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cnccn3)[C@H]3COC[C@@H]32)nc1 ZINC001164805009 721599275 /nfs/dbraw/zinc/59/92/75/721599275.db2.gz ZKBWUILRZSEJEF-PMXSJFBMSA-N 1 0 422.533 2.052 20 0 HEADRO CC(C)N(C)Cc1nnc2n1CCCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001165010746 721700340 /nfs/dbraw/zinc/70/03/40/721700340.db2.gz LRNSJJPDFCSAGP-UHFFFAOYSA-N 1 0 418.977 2.439 20 0 HEADRO CCOC(=O)c1cnc(Cl)cc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165008062 721729869 /nfs/dbraw/zinc/72/98/69/721729869.db2.gz JILFRKLISOMLPO-UHFFFAOYSA-N 1 0 408.930 2.435 20 0 HEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccnc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001165011894 721734785 /nfs/dbraw/zinc/73/47/85/721734785.db2.gz WGJXQXULSVQUMC-UHFFFAOYSA-N 1 0 418.542 2.347 20 0 HEADRO COc1cc2ncnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c(OC)c1 ZINC001165011118 721739057 /nfs/dbraw/zinc/73/90/57/721739057.db2.gz MCLJFCRFUNJKRJ-UHFFFAOYSA-N 1 0 413.522 2.170 20 0 HEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c(Cl)ncnc32)CC1 ZINC001165012890 721748168 /nfs/dbraw/zinc/74/81/68/721748168.db2.gz QVPXXTGEZZEHFD-UHFFFAOYSA-N 1 0 424.336 2.250 20 0 HEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cnc3C(N)=O)C[C@H]21 ZINC001165025834 721808384 /nfs/dbraw/zinc/80/83/84/721808384.db2.gz PJOZKKDGZNZCPM-NUEKZKHPSA-N 1 0 400.914 2.361 20 0 HEADRO CNS(=O)(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026427 721817460 /nfs/dbraw/zinc/81/74/60/721817460.db2.gz PZTSYRKTLIZCFM-YTQUADARSA-N 1 0 415.563 2.122 20 0 HEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc(Cl)c2C(N)=O)CC1 ZINC001165023024 721842026 /nfs/dbraw/zinc/84/20/26/721842026.db2.gz WGNXWHUTHBCFSD-UHFFFAOYSA-N 1 0 419.913 2.347 20 0 HEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)cc3c2C(=O)NC3=O)CC1 ZINC001165022663 721843526 /nfs/dbraw/zinc/84/35/26/721843526.db2.gz RPYWEJULSNOTFO-UHFFFAOYSA-N 1 0 424.501 2.392 20 0 HEADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164924300 721863123 /nfs/dbraw/zinc/86/31/23/721863123.db2.gz KSAXRICEQRGFGR-OLZOCXBDSA-N 1 0 413.975 2.243 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC001164932645 721880102 /nfs/dbraw/zinc/88/01/02/721880102.db2.gz JZNAUYHBEVRUOC-YADHBBJMSA-N 1 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O=c1cc2[nH]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)cc-2[nH]1 ZINC001164983091 722121696 /nfs/dbraw/zinc/12/16/96/722121696.db2.gz YDKZQOMDFLCXAY-KXBFYZLASA-N 1 0 413.909 2.352 20 0 HEADRO CC(C)c1nc(N(C)C)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979779 722126726 /nfs/dbraw/zinc/12/67/26/722126726.db2.gz PXLVEPZRPGRORV-RTBURBONSA-N 1 0 411.554 2.183 20 0 HEADRO CNC(=O)c1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164978338 722127281 /nfs/dbraw/zinc/12/72/81/722127281.db2.gz OKVGIOBYNBVBQN-SJLPKXTDSA-N 1 0 415.925 2.217 20 0 HEADRO Cc1nc2c(nc(Cl)nc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1C ZINC001165002924 722256103 /nfs/dbraw/zinc/25/61/03/722256103.db2.gz XLXHMKHCUKCRKJ-UHFFFAOYSA-N 1 0 418.933 2.010 20 0 HEADRO CCc1ccc(N2CCN(C(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000745435729 1078477768 /nfs/dbraw/zinc/47/77/68/1078477768.db2.gz WPFXYTACUXXFSI-QFIPXVFZSA-N 1 0 401.599 2.353 20 0 HEADRO CCOC(=O)N1CCN(C(=O)CN(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000745450963 1078487382 /nfs/dbraw/zinc/48/73/82/1078487382.db2.gz WLOLHNWAJFMQSS-CTNGQTDRSA-N 1 0 416.566 2.445 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(=O)[nH]c1=O ZINC000769652560 1078488639 /nfs/dbraw/zinc/48/86/39/1078488639.db2.gz KKCMIVDJAGKIAZ-HOTGVXAUSA-N 1 0 414.572 2.070 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(=O)[nH]c1=O ZINC000769652565 1078488800 /nfs/dbraw/zinc/48/88/00/1078488800.db2.gz KKCMIVDJAGKIAZ-IYBDPMFKSA-N 1 0 414.572 2.070 20 0 HEADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000745456336 1078490692 /nfs/dbraw/zinc/49/06/92/1078490692.db2.gz YOYUOIQZUIKNEO-QGOAFFKASA-N 1 0 409.939 2.442 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000745457670 1078491714 /nfs/dbraw/zinc/49/17/14/1078491714.db2.gz HREVWMKNTPFWKK-QGZVFWFLSA-N 1 0 409.527 2.062 20 0 HEADRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)C2)nc1 ZINC000766331402 1078492423 /nfs/dbraw/zinc/49/24/23/1078492423.db2.gz LWIHTXJDZVEXQF-SJORKVTESA-N 1 0 404.511 2.482 20 0 HEADRO C[C@@H]1C[C@@H](NS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CC[N@@H+]1C ZINC000769659341 1078496115 /nfs/dbraw/zinc/49/61/15/1078496115.db2.gz HTSGTQBCWQJTQP-XLIONFOSSA-N 1 0 423.579 2.437 20 0 HEADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000769662263 1078500876 /nfs/dbraw/zinc/50/08/76/1078500876.db2.gz XANICIQJBRBCKC-GOSISDBHSA-N 1 0 423.579 2.296 20 0 HEADRO O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc2ncccc21 ZINC000769674166 1078514449 /nfs/dbraw/zinc/51/44/49/1078514449.db2.gz UIPFOGHFFQYVSV-UYAOXDASSA-N 1 0 411.527 2.396 20 0 HEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2nccn3c(Br)cnc23)[C@@H](C)C1 ZINC000769740679 1078555250 /nfs/dbraw/zinc/55/52/50/1078555250.db2.gz FRKLOMKOHUOHPQ-KBPBESRZSA-N 1 0 424.343 2.359 20 0 HEADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000745626615 1078563586 /nfs/dbraw/zinc/56/35/86/1078563586.db2.gz MXZNZGXMGQUFME-IBGZPJMESA-N 1 0 410.518 2.101 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1CC1CCOCC1 ZINC000769790958 1078567734 /nfs/dbraw/zinc/56/77/34/1078567734.db2.gz YIYWSNGQXHTQNJ-IRXDYDNUSA-N 1 0 408.547 2.273 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC000745670834 1078581445 /nfs/dbraw/zinc/58/14/45/1078581445.db2.gz VXHVGRGIRHRFRS-REWPJTCUSA-N 1 0 402.535 2.198 20 0 HEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 ZINC000769842953 1078603418 /nfs/dbraw/zinc/60/34/18/1078603418.db2.gz SVPJPJBONRLIFA-HNNXBMFYSA-N 1 0 406.527 2.495 20 0 HEADRO CN1CCC(CNC(=O)NCc2ccnc(-n3ccnc3)c2)([NH+]2CCCCC2)CC1 ZINC000745789927 1078645983 /nfs/dbraw/zinc/64/59/83/1078645983.db2.gz VODLSBIVCBUNNB-UHFFFAOYSA-N 1 0 411.554 2.017 20 0 HEADRO Cc1noc(CCC(=O)OCC(=O)N2CCN(Cc3cccc4ccccc43)CC2)n1 ZINC000769969064 1078659483 /nfs/dbraw/zinc/65/94/83/1078659483.db2.gz DLOYQWNZBOXRBR-UHFFFAOYSA-N 1 0 422.485 2.351 20 0 HEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000769959594 1078652385 /nfs/dbraw/zinc/65/23/85/1078652385.db2.gz PWJVXMOBTOHGOC-OXJNMPFZSA-N 1 0 424.904 2.045 20 0 HEADRO CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000745803814 1078653899 /nfs/dbraw/zinc/65/38/99/1078653899.db2.gz WMSWHNSWWBMPQK-UONOGXRCSA-N 1 0 413.421 2.021 20 0 HEADRO CC(C)[N@@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)CC1CCC1 ZINC000769927866 1078662136 /nfs/dbraw/zinc/66/21/36/1078662136.db2.gz PGFPHJHWHVOPRZ-QFIPXVFZSA-N 1 0 400.523 2.471 20 0 HEADRO Cn1cc([C@@H](O)CNC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000745821084 1078663905 /nfs/dbraw/zinc/66/39/05/1078663905.db2.gz VYOCYAGSGVPMLE-SJORKVTESA-N 1 0 411.428 2.046 20 0 HEADRO 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 ZINC000770009851 1078666356 /nfs/dbraw/zinc/66/63/56/1078666356.db2.gz KIWHQIAGDCTMMU-MTJIALIYSA-N 1 0 424.904 2.187 20 0 HEADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000769972171 1078669479 /nfs/dbraw/zinc/66/94/79/1078669479.db2.gz GCZRMVMOMMHLFZ-IAGOWNOFSA-N 1 0 402.491 2.353 20 0 HEADRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000769973536 1078669484 /nfs/dbraw/zinc/66/94/84/1078669484.db2.gz AAOGZKIRHFIWBI-UYAOXDASSA-N 1 0 415.538 2.016 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCN(c4ccc(C)cc4)C3=O)CC2)c1 ZINC000745852734 1078671707 /nfs/dbraw/zinc/67/17/07/1078671707.db2.gz WGEJXNLTSLJQGG-IBGZPJMESA-N 1 0 409.490 2.036 20 0 HEADRO Cc1noc(CCC(=O)O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000769979331 1078672229 /nfs/dbraw/zinc/67/22/29/1078672229.db2.gz LMEDBZKTLQFUFV-HNNXBMFYSA-N 1 0 400.479 2.023 20 0 HEADRO O=C(C[N@@H+]1CCCC12CCC2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000769983193 1078673890 /nfs/dbraw/zinc/67/38/90/1078673890.db2.gz 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CCOC(=O)c1n[nH]c(C2CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)n1 ZINC000770037693 1078699457 /nfs/dbraw/zinc/69/94/57/1078699457.db2.gz GEEXQBQOUFZACI-SFHVURJKSA-N 1 0 411.506 2.352 20 0 HEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000745926618 1078699474 /nfs/dbraw/zinc/69/94/74/1078699474.db2.gz QJXCZOIXKJSDCM-KRWDZBQOSA-N 1 0 411.591 2.101 20 0 HEADRO C[NH+](C)[C@@H]1Cc2ccccc2N(CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)C1 ZINC000766337925 1078725426 /nfs/dbraw/zinc/72/54/26/1078725426.db2.gz GURKOTZMACEKPC-YKSBVNFPSA-N 1 0 404.514 2.416 20 0 HEADRO CC(C)Cn1c(CCC(N)=O)nn(CN2C[C@@H]([NH+](C)C)Cc3ccccc32)c1=S ZINC000766337787 1078725887 /nfs/dbraw/zinc/72/58/87/1078725887.db2.gz DUUJRMNOPRKBFO-KRWDZBQOSA-N 1 0 416.595 2.438 20 0 HEADRO Cc1cnccc1C[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013126 1078735981 /nfs/dbraw/zinc/73/59/81/1078735981.db2.gz CKZCDFGXZOYKRP-IRXDYDNUSA-N 1 0 406.552 2.391 20 0 HEADRO CCN(Cc1ccccc1Br)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O 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418.581 2.004 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000770754498 1079006918 /nfs/dbraw/zinc/00/69/18/1079006918.db2.gz TWWBGWPSRMCYQQ-GOEBONIOSA-N 1 0 407.461 2.077 20 0 HEADRO CCOC(=O)C1=C(C[NH2+][C@](C)(CO)C2CCCCC2)NC(=O)N[C@@H]1c1ccco1 ZINC000746469835 1079019165 /nfs/dbraw/zinc/01/91/65/1079019165.db2.gz DVAIFKNSZGFOGK-WIYYLYMNSA-N 1 0 405.495 2.372 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000770800500 1079022611 /nfs/dbraw/zinc/02/26/11/1079022611.db2.gz LEVFWYBPGWQPPY-CYBMUJFWSA-N 1 0 400.495 2.082 20 0 HEADRO Cc1nn2c(C[NH2+]CC3CCN(S(=O)(=O)C(F)(F)F)CC3)c(C)nc2s1 ZINC000766472448 1079023293 /nfs/dbraw/zinc/02/32/93/1079023293.db2.gz ZALXUMXQGQNIEP-UHFFFAOYSA-N 1 0 411.475 2.059 20 0 HEADRO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766489040 1079027350 /nfs/dbraw/zinc/02/73/50/1079027350.db2.gz QIFMUCQJVKFMLF-HUUCEWRRSA-N 1 0 411.549 2.262 20 0 HEADRO NC(=O)C1([NH2+]CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CCCC1 ZINC000746474837 1079029166 /nfs/dbraw/zinc/02/91/66/1079029166.db2.gz CQSYHUFIXLOVQG-UHFFFAOYSA-N 1 0 420.557 2.308 20 0 HEADRO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CCC1(C)C ZINC001168798609 1079039502 /nfs/dbraw/zinc/03/95/02/1079039502.db2.gz AWEMHUJARZYZQV-UHFFFAOYSA-N 1 0 406.486 2.434 20 0 HEADRO CCOC(=O)C1=C(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)NC(=O)N[C@H]1C ZINC000746481864 1079039810 /nfs/dbraw/zinc/03/98/10/1079039810.db2.gz ILVFHOUPODIQNU-HNAYVOBHSA-N 1 0 401.507 2.267 20 0 HEADRO CC(C)(C)OC(=O)N1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C(C)(C)C1 ZINC000746481500 1079040171 /nfs/dbraw/zinc/04/01/71/1079040171.db2.gz TVJLCVTVHMBSAP-UHFFFAOYSA-N 1 0 404.511 2.445 20 0 HEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1 ZINC001168799916 1079040306 /nfs/dbraw/zinc/04/03/06/1079040306.db2.gz ZQZOXZMUVBDVQS-QFIPXVFZSA-N 1 0 414.506 2.074 20 0 HEADRO O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000770857213 1079041012 /nfs/dbraw/zinc/04/10/12/1079041012.db2.gz SYYAMTXUFVFDML-CVEARBPZSA-N 1 0 422.476 2.013 20 0 HEADRO C[C@@H]1C[C@@H](NC2(C(N)=O)CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168822090 1079045983 /nfs/dbraw/zinc/04/59/83/1079045983.db2.gz HIRMGYSCNXOJGC-IEBWSBKVSA-N 1 0 416.566 2.494 20 0 HEADRO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168859359 1079055189 /nfs/dbraw/zinc/05/51/89/1079055189.db2.gz RRNRTFBYTSHNQK-AKHDSKFASA-N 1 0 417.554 2.402 20 0 HEADRO C[C@H]1C[C@H](N(C[C@@H]2OC[C@@H]3C[NH2+]CC[C@H]23)c2ncccn2)CN1C(=O)OC(C)(C)C ZINC001168858742 1079055210 /nfs/dbraw/zinc/05/52/10/1079055210.db2.gz QSCNSTARRBESEV-VMXHOPILSA-N 1 0 417.554 2.305 20 0 HEADRO C[C@@H]1C[C@H]([N@@H+]2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168858768 1079055258 /nfs/dbraw/zinc/05/52/58/1079055258.db2.gz QZTHJKMLGPEPMT-DISONHOPSA-N 1 0 409.527 2.028 20 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HEADRO C[C@@H]1C[C@@H]([N@H+]2CCc3ncc(Cn4cccn4)n3CC2)CN1C(=O)OC(C)(C)C ZINC001168858428 1079054826 /nfs/dbraw/zinc/05/48/26/1079054826.db2.gz QFKVSOWVKIHMKO-IAGOWNOFSA-N 1 0 400.527 2.384 20 0 HEADRO C[C@H]1C[C@@H](N(C[C@H]2CCC[NH2+]2)S(=O)(=O)C(F)(F)F)CN1C(=O)OC(C)(C)C ZINC001168863876 1079056815 /nfs/dbraw/zinc/05/68/15/1079056815.db2.gz KBZIKFXRCRZYIH-YNEHKIRRSA-N 1 0 415.478 2.288 20 0 HEADRO C[C@@H]1CN(c2nc3ccccc3nc2-n2nnc(-c3cccc(C[NH3+])c3)n2)C[C@H](C)O1 ZINC001168878856 1079066792 /nfs/dbraw/zinc/06/67/92/1079066792.db2.gz GJLYXPXDFKTZRI-GASCZTMLSA-N 1 0 416.489 2.345 20 0 HEADRO C[C@H]1C[C@H](N(C2CC[NH2+]CC2)S(=O)(=O)c2cccnc2)CN1C(=O)OC(C)(C)C ZINC001168878252 1079066808 /nfs/dbraw/zinc/06/68/08/1079066808.db2.gz BVAXLYLVFQUXMW-RDJZCZTQSA-N 1 0 424.567 2.222 20 0 HEADRO 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 ZINC001168850003 1079061635 /nfs/dbraw/zinc/06/16/35/1079061635.db2.gz MUEJTHWTZNGWMO-LYYGHALDSA-N 1 0 407.555 2.486 20 0 HEADRO COc1ccc(CN2CC[C@@H](n3cc(C[C@@H]([NH3+])C(N)=O)c4ccccc43)CC2=O)cc1 ZINC001168898632 1079064644 /nfs/dbraw/zinc/06/46/44/1079064644.db2.gz BBDLXXFKCDCHKW-WIYYLYMNSA-N 1 0 420.513 2.369 20 0 HEADRO CC(C)[N@H+](C[C@@H](O)COc1ccc(CC(N)=O)cc1)C[C@H]1COC2(CCCCC2)O1 ZINC001168873242 1079065109 /nfs/dbraw/zinc/06/51/09/1079065109.db2.gz MJPYWDWSRKPZEY-CTNGQTDRSA-N 1 0 420.550 2.240 20 0 HEADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH+]2CCN(Cc3cccnc3)CC2)CC1 ZINC001168874327 1079065482 /nfs/dbraw/zinc/06/54/82/1079065482.db2.gz UQQDUHKPPRPJRM-FQEVSTJZSA-N 1 0 404.555 2.207 20 0 HEADRO C[C@@H](CNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[N@H+](C)C1CC1 ZINC000766532741 1079069799 /nfs/dbraw/zinc/06/97/99/1079069799.db2.gz BRAPJVBVLFSFQP-LBPRGKRZSA-N 1 0 423.457 2.141 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(c4cc(C)nc(C)n4)CC3)CC2=O)cc1 ZINC001168938375 1079079765 /nfs/dbraw/zinc/07/97/65/1079079765.db2.gz BOQXFPVEBXWGPP-HXUWFJFHSA-N 1 0 409.534 2.415 20 0 HEADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2nn(C)c(=O)c3ccccc32)CC1 ZINC000766539768 1079073501 /nfs/dbraw/zinc/07/35/01/1079073501.db2.gz DJGLYILLCRAARI-UHFFFAOYSA-N 1 0 400.523 2.144 20 0 HEADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(I)c(O)c3)C[C@]2(C)C1 ZINC001168932362 1079077630 /nfs/dbraw/zinc/07/76/30/1079077630.db2.gz UAUOLOOOAHQQHD-HOTGVXAUSA-N 1 0 400.260 2.411 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CCc4onc(Cn5cccn5)c4C3)CC2=O)cc1 ZINC001168935049 1079078879 /nfs/dbraw/zinc/07/88/79/1079078879.db2.gz KPWQIROQLJBGEC-GOSISDBHSA-N 1 0 421.501 2.477 20 0 HEADRO CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168941891 1079081470 /nfs/dbraw/zinc/08/14/70/1079081470.db2.gz PMQKJLIRQIMWNV-IEBWSBKVSA-N 1 0 402.491 2.030 20 0 HEADRO COC(=O)c1cn([C@H]2CCC[N@H+](CCCN(C(=O)OC(C)(C)C)C3CC3)C2)nn1 ZINC001168957672 1079091815 /nfs/dbraw/zinc/09/18/15/1079091815.db2.gz GJXXDFPCJOVTFS-INIZCTEOSA-N 1 0 407.515 2.491 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 ZINC000766553212 1079083660 /nfs/dbraw/zinc/08/36/60/1079083660.db2.gz PYOBOQJOCRNNLM-QFIPXVFZSA-N 1 0 418.513 2.173 20 0 HEADRO CN(Cc1cnn(-c2ccccc2)n1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000746127202 1079084891 /nfs/dbraw/zinc/08/48/91/1079084891.db2.gz IVNJYDMYWAMDNQ-UHFFFAOYSA-N 1 0 404.518 2.438 20 0 HEADRO COc1ccc(CN2CC[C@@H](n3ccc4c3ncnc4N3CC[NH2+]CC3)CC2=O)cc1 ZINC001168952729 1079085715 /nfs/dbraw/zinc/08/57/15/1079085715.db2.gz FVGBKDOKYUZYES-GOSISDBHSA-N 1 0 420.517 2.213 20 0 HEADRO NC(=O)C1CCN(c2cc(-n3c(CCC[NH3+])nc4ccc(Cl)cc43)ncn2)CC1 ZINC001168996190 1079095752 /nfs/dbraw/zinc/09/57/52/1079095752.db2.gz RAFQOCWLHCPJIG-UHFFFAOYSA-N 1 0 413.913 2.062 20 0 HEADRO COCCn1c(N)c(C(=O)C[NH2+][C@H](C)c2sc3ccccc3c2C)c(=O)[nH]c1=O ZINC001169034111 1079104757 /nfs/dbraw/zinc/10/47/57/1079104757.db2.gz XUROATQCYFJYJD-GFCCVEGCSA-N 1 0 416.503 2.234 20 0 HEADRO Cc1sc(=O)n(CC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1-c1ccc(F)cc1 ZINC000771036693 1079111901 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OVDHQNFHWSOMDO-YJBOKZPZSA-N 1 0 400.523 2.096 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(O)cc2)C[C@H]1C(=O)N1CCSC1 ZINC001170021272 1079139825 /nfs/dbraw/zinc/13/98/25/1079139825.db2.gz YSABAUNQBGDEPZ-WBVHZDCISA-N 1 0 407.536 2.393 20 0 HEADRO COC(=O)[C@@H](C[NH3+])Cc1ccc(-n2cc(C[C@](C)(N)C(=O)OC)c3ccccc32)cc1 ZINC001169117727 1079141789 /nfs/dbraw/zinc/14/17/89/1079141789.db2.gz XMGRPLXJGPZFGE-OSPHWJPCSA-N 1 0 423.513 2.354 20 0 HEADRO CCOC(=O)C1CCN(c2cnnc(Cl)c2-n2nnc3ccc(C[NH3+])cc32)CC1 ZINC001170021689 1079154656 /nfs/dbraw/zinc/15/46/56/1079154656.db2.gz ABNBIUIENMJNMO-UHFFFAOYSA-N 1 0 415.885 2.102 20 0 HEADRO CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001169107350 1079157208 /nfs/dbraw/zinc/15/72/08/1079157208.db2.gz XGHAQMSNJCNGCB-MSOLQXFVSA-N 1 0 400.479 2.288 20 0 HEADRO COC(=O)[C@](C)(N)Cc1cn(-c2nc(Cl)nc3c2CC[NH2+]CC3)c2ccccc12 ZINC001169112077 1079159895 /nfs/dbraw/zinc/15/98/95/1079159895.db2.gz NATNMEPJJRUOKM-OAQYLSRUSA-N 1 0 413.909 2.195 20 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C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccc2cnccc21 ZINC001169194582 1079181541 /nfs/dbraw/zinc/18/15/41/1079181541.db2.gz ZWNNTOJRGABLKN-MRXNPFEDSA-N 1 0 420.517 2.331 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1ccc(F)cc1 ZINC001169195717 1079182149 /nfs/dbraw/zinc/18/21/49/1079182149.db2.gz MLQSYBWZOIWHBN-HNNXBMFYSA-N 1 0 401.486 2.264 20 0 HEADRO COCCOC(=O)Nc1cccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000771128039 1079183100 /nfs/dbraw/zinc/18/31/00/1079183100.db2.gz NYHQDJVXXSGMIF-INIZCTEOSA-N 1 0 407.515 2.029 20 0 HEADRO Cc1nc([C@@H](C)[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cs1 ZINC001169169958 1079185420 /nfs/dbraw/zinc/18/54/20/1079185420.db2.gz QQEIWQYTEVGIPQ-CHWSQXEVSA-N 1 0 404.540 2.108 20 0 HEADRO CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000771133464 1079185452 /nfs/dbraw/zinc/18/54/52/1079185452.db2.gz MCMLPDAXLAQPCS-UHFFFAOYSA-N 1 0 420.535 2.361 20 0 HEADRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001169177501 1079191151 /nfs/dbraw/zinc/19/11/51/1079191151.db2.gz KJQFFICRSAPTPG-HZPDHXFCSA-N 1 0 407.515 2.183 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1c(CC[NH3+])cc2ccccc21 ZINC001169182420 1079194554 /nfs/dbraw/zinc/19/45/54/1079194554.db2.gz YSWGMCPDXIWNBK-MRXNPFEDSA-N 1 0 422.533 2.321 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)CC2)CC1 ZINC000771193691 1079195782 /nfs/dbraw/zinc/19/57/82/1079195782.db2.gz HUFBXCNZURTQRR-UHFFFAOYSA-N 1 0 420.623 2.248 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1Cc2ccccc2C[C@H]1C ZINC001169213738 1079197232 /nfs/dbraw/zinc/19/72/32/1079197232.db2.gz SMFSLUOEXAFADJ-DLBZAZTESA-N 1 0 409.534 2.439 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(Cn3nc(-c4ccc(F)cc4)oc3=O)CC2)CC1 ZINC000771177511 1079211069 /nfs/dbraw/zinc/21/10/69/1079211069.db2.gz SCFDCKNWVYJMTK-UHFFFAOYSA-N 1 0 403.502 2.090 20 0 HEADRO COc1ccc(-n2nc(C(=O)OCC(=O)NC3CC[NH+](C(C)C)CC3)cc2C)cc1 ZINC000771170437 1079207200 /nfs/dbraw/zinc/20/72/00/1079207200.db2.gz CUKLINSCCWLNGH-UHFFFAOYSA-N 1 0 414.506 2.335 20 0 HEADRO CN(c1ccccc1)S(=O)(=O)c1cccnc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169239932 1079208527 /nfs/dbraw/zinc/20/85/27/1079208527.db2.gz DEZOTPQSHRZNAM-UHFFFAOYSA-N 1 0 412.519 2.209 20 0 HEADRO CS(=O)(=O)N1CCC(c2ccc(NCc3ncn4c3C[NH2+]CCC4)cc2)CC1 ZINC001169243350 1079209906 /nfs/dbraw/zinc/20/99/06/1079209906.db2.gz HXMCTQRRPSXXCC-UHFFFAOYSA-N 1 0 403.552 2.128 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(Cn3nc(-c4cccnc4)n(C)c3=S)CC2)CC1 ZINC000771175502 1079210114 /nfs/dbraw/zinc/21/01/14/1079210114.db2.gz HGEKYHXKVJWQLW-UHFFFAOYSA-N 1 0 415.611 2.461 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)NCC(C)C)C3)CC[NH2+]2)c1 ZINC001169251494 1079212242 /nfs/dbraw/zinc/21/22/42/1079212242.db2.gz OPZBVJKAUZTRBM-WOJBJXKFSA-N 1 0 416.566 2.116 20 0 HEADRO CC(C)CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C2 ZINC001109826607 1079219660 /nfs/dbraw/zinc/21/96/60/1079219660.db2.gz QBCBGVHUVGPYBJ-CRSSMBPESA-N 1 0 404.555 2.072 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C(=O)OC)c3)CC2)CO1 ZINC001169349619 1079233959 /nfs/dbraw/zinc/23/39/59/1079233959.db2.gz HBVWCEXFDZYGHY-PMACEKPBSA-N 1 0 404.507 2.138 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccc(I)cc3C2)CO1 ZINC001169337016 1079237869 /nfs/dbraw/zinc/23/78/69/1079237869.db2.gz AMOHIPFBLDKCGF-OAGGEKHMSA-N 1 0 415.271 2.459 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3F)CCS(=O)(=O)CC2)CO1 ZINC001169356300 1079240794 /nfs/dbraw/zinc/24/07/94/1079240794.db2.gz IKCSGMMAXSKPDD-AEFFLSMTSA-N 1 0 413.511 2.016 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 ZINC000771292994 1079242033 /nfs/dbraw/zinc/24/20/33/1079242033.db2.gz HJGAELZQXHKERS-GOSISDBHSA-N 1 0 416.541 2.196 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 ZINC000771292996 1079246022 /nfs/dbraw/zinc/24/60/22/1079246022.db2.gz HJGAELZQXHKERS-SFHVURJKSA-N 1 0 416.541 2.196 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCCN3Cc2c(C)noc2C)CO1 ZINC001169384650 1079257048 /nfs/dbraw/zinc/25/70/48/1079257048.db2.gz HBMMADMDRJLMCG-QUCCMNQESA-N 1 0 421.538 2.069 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CO1 ZINC001169386208 1079257621 /nfs/dbraw/zinc/25/76/21/1079257621.db2.gz LJRKSDDMMGIDDP-TYIUSFPZSA-N 1 0 406.523 2.302 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169389890 1079259976 /nfs/dbraw/zinc/25/99/76/1079259976.db2.gz UBLCGOOKGUXZTD-XKGFGPFHSA-N 1 0 422.547 2.212 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)CO1 ZINC001169398670 1079271723 /nfs/dbraw/zinc/27/17/23/1079271723.db2.gz SSCKHFQNYZOJRF-WRTQPQOASA-N 1 0 404.507 2.331 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)CO1 ZINC001169396729 1079268775 /nfs/dbraw/zinc/26/87/75/1079268775.db2.gz LSUNDDQPPOBNMO-NNIGNNQHSA-N 1 0 410.536 2.311 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)CO1 ZINC001169419556 1079278565 /nfs/dbraw/zinc/27/85/65/1079278565.db2.gz QTBMFJFSXWSZOA-UONOGXRCSA-N 1 0 414.959 2.475 20 0 HEADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)CC1 ZINC001169419472 1079278750 /nfs/dbraw/zinc/27/87/50/1079278750.db2.gz HJGLXSRECIDDJN-MSOLQXFVSA-N 1 0 408.543 2.163 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C1 ZINC000771323020 1079286547 /nfs/dbraw/zinc/28/65/47/1079286547.db2.gz IGDXGBKWKRSMQY-MJGOQNOKSA-N 1 0 418.538 2.416 20 0 HEADRO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cc[nH+]cc2-c2ccccc2)c1 ZINC001169445084 1079294881 /nfs/dbraw/zinc/29/48/81/1079294881.db2.gz NOGTWUDRTSXPTC-NRFANRHFSA-N 1 0 407.470 2.449 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2C(=O)OC)CC1 ZINC001169446546 1079296405 /nfs/dbraw/zinc/29/64/05/1079296405.db2.gz IZBWQRSQDFMMDH-MRXNPFEDSA-N 1 0 403.523 2.314 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2C(=O)OC)CC1 ZINC001169446545 1079296483 /nfs/dbraw/zinc/29/64/83/1079296483.db2.gz IZBWQRSQDFMMDH-INIZCTEOSA-N 1 0 403.523 2.314 20 0 HEADRO CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CC[C@H](CO)C2)nc1NC[C@H](O)C(F)(F)F ZINC001169455153 1079298479 /nfs/dbraw/zinc/29/84/79/1079298479.db2.gz ZNOGIXCJVBIKDE-WFASDCNBSA-N 1 0 418.460 2.216 20 0 HEADRO CC[NH+]1CCN([C@H](C)CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000771351911 1079301467 /nfs/dbraw/zinc/30/14/67/1079301467.db2.gz ICTKKZXPKGRCSW-LJQANCHMSA-N 1 0 408.546 2.226 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cccnc3C)[C@@H]2C1 ZINC001169467210 1079308603 /nfs/dbraw/zinc/30/86/03/1079308603.db2.gz LETBBKALBWGJHB-AITUJVMLSA-N 1 0 402.539 2.170 20 0 HEADRO COc1cncc(N2CCN(C(=O)/C=C\c3ccc(OCC[NH+](C)C)cc3)CC2)c1 ZINC001169469062 1079309504 /nfs/dbraw/zinc/30/95/04/1079309504.db2.gz MSEBAYHVLQDMPE-TWGQIWQCSA-N 1 0 410.518 2.393 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001169470832 1079309866 /nfs/dbraw/zinc/30/98/66/1079309866.db2.gz HRBZBZMCISVXBC-UTKZUKDTSA-N 1 0 407.534 2.182 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCC[C@]2(C1)COCCN(c1ccc(C)nn1)C2 ZINC001169470957 1079310097 /nfs/dbraw/zinc/31/00/97/1079310097.db2.gz IXKGSWYFYAYEET-SIKLNZKXSA-N 1 0 403.571 2.351 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 ZINC001169471938 1079310689 /nfs/dbraw/zinc/31/06/89/1079310689.db2.gz ONGVZDPHPLYBTR-SQNIBIBYSA-N 1 0 423.579 2.180 20 0 HEADRO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)CC1 ZINC001169471745 1079310731 /nfs/dbraw/zinc/31/07/31/1079310731.db2.gz ADSLCHZXYRHTQH-NJDAHSKKSA-N 1 0 419.591 2.185 20 0 HEADRO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)CC1 ZINC001169471746 1079310808 /nfs/dbraw/zinc/31/08/08/1079310808.db2.gz ADSLCHZXYRHTQH-NJYVYQBISA-N 1 0 419.591 2.185 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001169475254 1079312899 /nfs/dbraw/zinc/31/28/99/1079312899.db2.gz MSLPEOKWODHGPT-JTSKRJEESA-N 1 0 404.530 2.196 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508713 1079317217 /nfs/dbraw/zinc/31/72/17/1079317217.db2.gz PWSOCRHMAORRGM-CDNPAEQRSA-N 1 0 417.550 2.243 20 0 HEADRO CCOC(=O)C1(Nc2cc3c(c(OC)c2)OCC(C(=O)OC)=C3)CC[NH+](C)CC1 ZINC001169499383 1079315173 /nfs/dbraw/zinc/31/51/73/1079315173.db2.gz BEFDUSYCESULMQ-UHFFFAOYSA-N 1 0 404.463 2.083 20 0 HEADRO COc1cc(CC[NH2+][C@H]2CCN(C(C)=O)C2)c(OC)cc1I ZINC001169503147 1079315439 /nfs/dbraw/zinc/31/54/39/1079315439.db2.gz WGTSPKMJOCSHRC-ZDUSSCGKSA-N 1 0 418.275 2.061 20 0 HEADRO CCOC(=O)C1(Nc2nc3cc4c(cc3nc2Cl)OCCO4)CC[NH+](C)CC1 ZINC001169491943 1079320725 /nfs/dbraw/zinc/32/07/25/1079320725.db2.gz NZWVPCFKUYUFDY-UHFFFAOYSA-N 1 0 406.870 2.494 20 0 HEADRO CC(=O)N1CC[C@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CCS(=O)(=O)CC2)C1 ZINC001169521313 1079321981 /nfs/dbraw/zinc/32/19/81/1079321981.db2.gz QCYKACLULWLTJK-INIZCTEOSA-N 1 0 418.481 2.406 20 0 HEADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001169528358 1079324036 /nfs/dbraw/zinc/32/40/36/1079324036.db2.gz VGDLWXHWBBXKPN-JXFKEZNVSA-N 1 0 401.532 2.116 20 0 HEADRO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCN(C(C)=O)C3)C[C@@H]1CCN(C(=O)OC(C)(C)C)CC2 ZINC001169540845 1079326134 /nfs/dbraw/zinc/32/61/34/1079326134.db2.gz WCBFDYCGHGXPIP-SPEDKVCISA-N 1 0 423.554 2.119 20 0 HEADRO C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C1=CC[N@H+](C)CC1 ZINC000771450422 1079329278 /nfs/dbraw/zinc/32/92/78/1079329278.db2.gz FOLKFHWAWZTLIM-YUNKPMOVSA-N 1 0 422.888 2.013 20 0 HEADRO CCOC(=O)C1(CNc2nccc(C[N@@H+]3CC[C@@H](CO)C3)c2C(OC)OC)CCC1 ZINC001169554496 1079330386 /nfs/dbraw/zinc/33/03/86/1079330386.db2.gz RATDRENYVNVMSC-MRXNPFEDSA-N 1 0 421.538 2.333 20 0 HEADRO CCC[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1CCOC ZINC000766756477 1079334188 /nfs/dbraw/zinc/33/41/88/1079334188.db2.gz VANHXKBIPCDANC-HXUWFJFHSA-N 1 0 402.539 2.456 20 0 HEADRO Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000766757051 1079338647 /nfs/dbraw/zinc/33/86/47/1079338647.db2.gz FWDINHPVKIYURO-SFTDATJTSA-N 1 0 412.538 2.077 20 0 HEADRO CC(=O)N1CCC[C@H]([N@@H+]2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)C1 ZINC001169605574 1079342581 /nfs/dbraw/zinc/34/25/81/1079342581.db2.gz LBGIJLYZYGWLRJ-NYVOZVTQSA-N 1 0 405.514 2.356 20 0 HEADRO Cn1ccnc1[C@](O)(CCNC(=O)N1CCC(CCC[NH+](C)C)CC1)C(F)(F)F ZINC000766759249 1079340602 /nfs/dbraw/zinc/34/06/02/1079340602.db2.gz QRHRFGYLGNBDFC-GOSISDBHSA-N 1 0 419.492 2.324 20 0 HEADRO CC(=O)N1CCC[C@H]([N@@H+]2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)C1 ZINC001169605578 1079342706 /nfs/dbraw/zinc/34/27/06/1079342706.db2.gz LBGIJLYZYGWLRJ-YUXAGFNASA-N 1 0 405.514 2.356 20 0 HEADRO CC(=O)N1CCC[C@H]([NH+]2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@@H]3C)C1 ZINC001169604270 1079342144 /nfs/dbraw/zinc/34/21/44/1079342144.db2.gz CBIQHZYPZCXANN-BEFAXECRSA-N 1 0 420.579 2.044 20 0 HEADRO Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000766759952 1079342203 /nfs/dbraw/zinc/34/22/03/1079342203.db2.gz WNGHKQPJDYMHLT-CTNGQTDRSA-N 1 0 415.538 2.158 20 0 HEADRO CS(=O)(=O)c1nccc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)n1 ZINC001169606969 1079343730 /nfs/dbraw/zinc/34/37/30/1079343730.db2.gz KKCPOGFBPBYCGN-UHFFFAOYSA-N 1 0 400.382 2.224 20 0 HEADRO C[NH+](C)C1CCN(C(=O)Cc2noc(CN(C(=O)OC(C)(C)C)C3CC3)n2)CC1 ZINC000771472818 1079350726 /nfs/dbraw/zinc/35/07/26/1079350726.db2.gz PVLMOAIYKRPTCK-UHFFFAOYSA-N 1 0 407.515 2.064 20 0 HEADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3scnc3Br)n2)CC1 ZINC000771472433 1079351238 /nfs/dbraw/zinc/35/12/38/1079351238.db2.gz LCEUBVWFHXFLKP-UHFFFAOYSA-N 1 0 400.302 2.051 20 0 HEADRO C[C@H](CN(C)C(=O)OC(C)(C)C)c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000771472444 1079351245 /nfs/dbraw/zinc/35/12/45/1079351245.db2.gz LQELWPSLBPYZMJ-CQSZACIVSA-N 1 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CC(C)[NH+]1CCC(N2CCN(C(=O)C3=NN(c4ccccc4)C(=O)CC3)CC2)CC1 ZINC000771508548 1079365532 /nfs/dbraw/zinc/36/55/32/1079365532.db2.gz BZBICQWEPWQZNT-UHFFFAOYSA-N 1 0 411.550 2.186 20 0 HEADRO CCC[C@H]1CN(C(=O)NCc2nc(Cc3ccccc3)no2)CC[N@@H+]1CCOC ZINC000766780883 1079365804 /nfs/dbraw/zinc/36/58/04/1079365804.db2.gz ACCGHTVYLGIMIS-SFHVURJKSA-N 1 0 401.511 2.303 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC(C)C)CCN3C)CC1 ZINC001169686967 1079368753 /nfs/dbraw/zinc/36/87/53/1079368753.db2.gz PTPNRQOFGUQEMC-LJQANCHMSA-N 1 0 408.587 2.262 20 0 HEADRO CN(C[C@@H](O)C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001169687639 1079369192 /nfs/dbraw/zinc/36/91/92/1079369192.db2.gz UXQFWFLJNACIEK-FOIQADDNSA-N 1 0 401.548 2.451 20 0 HEADRO CCOC(=O)N1CCC[C@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)CC1 ZINC001169688441 1079370189 /nfs/dbraw/zinc/37/01/89/1079370189.db2.gz XFWRRGSZDXALRS-ZRNYENFQSA-N 1 0 407.555 2.204 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@@H+]2CCc3cc(C(=O)OC)c(N(C)C)nc3CC2)CC1 ZINC001169690600 1079371075 /nfs/dbraw/zinc/37/10/75/1079371075.db2.gz CYAJWQGRYLQBJM-QGZVFWFLSA-N 1 0 418.538 2.346 20 0 HEADRO CCOC(=O)N1CCC[C@H]([N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)CC1 ZINC001169692165 1079373395 /nfs/dbraw/zinc/37/33/95/1079373395.db2.gz HGGLSTXXLPYWKE-FCGDIQPGSA-N 1 0 404.511 2.346 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@@H+]2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC001169693334 1079373886 /nfs/dbraw/zinc/37/38/86/1079373886.db2.gz KOQGOIVSUQTDHF-UTKZUKDTSA-N 1 0 403.527 2.250 20 0 HEADRO CCOC(=O)N1CCC[C@H]([N@@H+]2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)CC1 ZINC001169694098 1079374270 /nfs/dbraw/zinc/37/42/70/1079374270.db2.gz OGYLGUMNKQJRPS-ZVDOUQERSA-N 1 0 406.527 2.144 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(c4ccc(C)nn4)CCO[C@@H]3C2)CC1 ZINC001169694738 1079374778 /nfs/dbraw/zinc/37/47/78/1079374778.db2.gz SLIDZCNKHOVXET-VAMGGRTRSA-N 1 0 417.554 2.323 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@@H+]2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C2)CC1 ZINC001169710197 1079381309 /nfs/dbraw/zinc/38/13/09/1079381309.db2.gz MSLSLPJJWFVJBY-QRWLVFNGSA-N 1 0 413.515 2.140 20 0 HEADRO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169720595 1079384190 /nfs/dbraw/zinc/38/41/90/1079384190.db2.gz JLSCRBREZWOBJM-RTWAWAEBSA-N 1 0 409.530 2.246 20 0 HEADRO Cn1cc(N2CC[C@@]3(CC[N@@H+]([C@H]4CCCN(C(=O)c5ccccc5)C4)C3)C2=O)cn1 ZINC001169774401 1079394582 /nfs/dbraw/zinc/39/45/82/1079394582.db2.gz YMPBMYPIDUNEQI-WMZHIEFXSA-N 1 0 407.518 2.154 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@@H]([NH+]2CCC3(C[C@H]3C(=O)N3CCOCC3)CC2)C1 ZINC001169774060 1079410573 /nfs/dbraw/zinc/41/05/73/1079410573.db2.gz UJQLNFABLMALLR-RTWAWAEBSA-N 1 0 411.546 2.252 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000771655526 1079426579 /nfs/dbraw/zinc/42/65/79/1079426579.db2.gz ASFSRDZOVPDZJA-HNNXBMFYSA-N 1 0 406.527 2.495 20 0 HEADRO CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@@H](C)CC[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000771657471 1079428547 /nfs/dbraw/zinc/42/85/47/1079428547.db2.gz NGTGYVHCBABKOR-RXVVDRJESA-N 1 0 400.567 2.305 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000771659145 1079429061 /nfs/dbraw/zinc/42/90/61/1079429061.db2.gz ZPUPSJWXWMJQGH-PKOBYXMFSA-N 1 0 404.555 2.395 20 0 HEADRO CC[C@@]1(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000771663720 1079433517 /nfs/dbraw/zinc/43/35/17/1079433517.db2.gz AMPYHPYAKGERSJ-QFIPXVFZSA-N 1 0 424.586 2.225 20 0 HEADRO C[NH+](C)CC1CCN(S(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC000766845872 1079444511 /nfs/dbraw/zinc/44/45/11/1079444511.db2.gz HQZDBGSDTCBXHS-FQEVSTJZSA-N 1 0 423.579 2.391 20 0 HEADRO C[NH+](C)CC1CCN(S(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC000766845875 1079444550 /nfs/dbraw/zinc/44/45/50/1079444550.db2.gz HQZDBGSDTCBXHS-HXUWFJFHSA-N 1 0 423.579 2.391 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCc2cc3ccccc3o2)CC1 ZINC000740503799 1079446385 /nfs/dbraw/zinc/44/63/85/1079446385.db2.gz VNNGHTKHSMCWHR-UHFFFAOYSA-N 1 0 406.486 2.482 20 0 HEADRO C[C@@H]1N(c2cccnc2)C(=O)COC12CC[NH+](C1CCC(S(C)(=O)=O)CC1)CC2 ZINC001169880035 1079453829 /nfs/dbraw/zinc/45/38/29/1079453829.db2.gz BDRJFCGKGWRQAT-MUYFXNHWSA-N 1 0 421.563 2.024 20 0 HEADRO Cc1nc(CN2C[C@@]3(CC[N@@H+](C4CCC(S(C)(=O)=O)CC4)C3)CC2=O)cs1 ZINC001169880523 1079454312 /nfs/dbraw/zinc/45/43/12/1079454312.db2.gz NZGXBRKLFHCZQA-TVPLGVNVSA-N 1 0 411.593 2.232 20 0 HEADRO CC(C)(C)OC(=O)NC1CN([C@@H]2CCC[N@@H+](C3CCC(S(C)(=O)=O)CC3)C2)C1 ZINC001169894154 1079466613 /nfs/dbraw/zinc/46/66/13/1079466613.db2.gz SQLKAIUADGPFJE-LXPRWKDFSA-N 1 0 415.600 2.016 20 0 HEADRO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169943649 1079484057 /nfs/dbraw/zinc/48/40/57/1079484057.db2.gz CHHZUZPKKHDIJM-JSXRDJHFSA-N 1 0 415.534 2.111 20 0 HEADRO COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC001273351986 1075899621 /nfs/dbraw/zinc/89/96/21/1075899621.db2.gz HJCASKLKGIUSKK-QAPCUYQASA-N 1 0 405.926 2.363 20 0 HEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000737299141 1075901004 /nfs/dbraw/zinc/90/10/04/1075901004.db2.gz LYKYCQQALLHMOT-QGZVFWFLSA-N 1 0 423.604 2.457 20 0 HEADRO CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000737304929 1075902895 /nfs/dbraw/zinc/90/28/95/1075902895.db2.gz MGZASVIDCFBAJR-ZHRRBRCNSA-N 1 0 404.555 2.069 20 0 HEADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)c2C1 ZINC000737307980 1075904451 /nfs/dbraw/zinc/90/44/51/1075904451.db2.gz OHLMKFSEWCRUJG-HNNXBMFYSA-N 1 0 423.579 2.315 20 0 HEADRO Fc1cnc(N2CCOC[C@]3(CCC[N@@H+]([C@@H]4CCCC5(C4)OCCO5)C3)C2)nc1 ZINC001169946764 1079488931 /nfs/dbraw/zinc/48/89/31/1079488931.db2.gz CZXREGGADGOXNW-QUCCMNQESA-N 1 0 406.502 2.220 20 0 HEADRO Fc1cnc(N2CCOC[C@]3(CCC[N@@H+]([C@H]4CCCC5(C4)OCCO5)C3)C2)nc1 ZINC001169946763 1079488980 /nfs/dbraw/zinc/48/89/80/1079488980.db2.gz CZXREGGADGOXNW-ICSRJNTNSA-N 1 0 406.502 2.220 20 0 HEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000737744357 1075921556 /nfs/dbraw/zinc/92/15/56/1075921556.db2.gz WUYUJLNOOASAMF-HZBHDWBUSA-N 1 0 419.591 2.498 20 0 HEADRO Cc1nc(N(CC2CC2)[C@@H]2CCCC3(C2)OCCO3)nc2c1COC[C@@]21CC[NH2+]C1 ZINC001169947804 1079489469 /nfs/dbraw/zinc/48/94/69/1079489469.db2.gz GNQSXRIZAVPPQH-GCJKJVERSA-N 1 0 414.550 2.448 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000737727242 1075926084 /nfs/dbraw/zinc/92/60/84/1075926084.db2.gz ARFLXOIWWSQSEZ-QFIPXVFZSA-N 1 0 423.513 2.057 20 0 HEADRO Cc1nn(C)c(Cl)c1C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000737729487 1075926452 /nfs/dbraw/zinc/92/64/52/1075926452.db2.gz YFPGMUFADVCYBQ-UHFFFAOYSA-N 1 0 405.930 2.285 20 0 HEADRO O=C(NCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000771719748 1079489906 /nfs/dbraw/zinc/48/99/06/1079489906.db2.gz DCNVTHHRJUBGCC-HXUWFJFHSA-N 1 0 417.531 2.107 20 0 HEADRO CNC(=O)c1cc2c(nc1N(CC1CC1)[C@H]1CCCC3(C1)OCCO3)CC[NH2+]CC2 ZINC001169948535 1079490168 /nfs/dbraw/zinc/49/01/68/1079490168.db2.gz KDZCBWRDRDNJKE-SFHVURJKSA-N 1 0 414.550 2.032 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737841674 1075935813 /nfs/dbraw/zinc/93/58/13/1075935813.db2.gz QCJLHDMJAHEOOU-UGKGYDQZSA-N 1 0 424.545 2.406 20 0 HEADRO C[C@@H]1CN(Cc2cccc(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)c2)C[C@H](C)O1 ZINC000737869385 1075937295 /nfs/dbraw/zinc/93/72/95/1075937295.db2.gz DZKNAWFQGJAUFC-RVKKMQEKSA-N 1 0 412.577 2.155 20 0 HEADRO COc1cccc(/C=C(/C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n2nnnc2C)c1 ZINC000737960077 1075941240 /nfs/dbraw/zinc/94/12/40/1075941240.db2.gz WZNVINVZIGETPY-PGMHBOJBSA-N 1 0 410.522 2.465 20 0 HEADRO CC(C)N(c1nc2c(cc1C(=O)N(C)C)CC[NH2+]CC2)[C@@H]1CCCC2(C1)OCCO2 ZINC001169950477 1079491506 /nfs/dbraw/zinc/49/15/06/1079491506.db2.gz TXFVKGNAHIFHGK-GOSISDBHSA-N 1 0 416.566 2.372 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 ZINC000737989897 1075948380 /nfs/dbraw/zinc/94/83/80/1075948380.db2.gz FJZLUUGFLZIOAO-UHFFFAOYSA-N 1 0 420.517 2.170 20 0 HEADRO CCc1cc[n+](C(C(=O)c2cccc(OC(F)F)c2)C(=S)NCC(N)=O)cc1 ZINC000738009994 1075950476 /nfs/dbraw/zinc/95/04/76/1075950476.db2.gz GYLCIRNTACDSMN-UHFFFAOYSA-O 1 0 408.450 2.424 20 0 HEADRO COc1cc2c(cc1OC)N(CN1CCC[N@H+](Cc3ccccc3)CC1)C(=O)C2=O ZINC000738024817 1075952648 /nfs/dbraw/zinc/95/26/48/1075952648.db2.gz VBKIBORFKVEDST-UHFFFAOYSA-N 1 0 409.486 2.399 20 0 HEADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cn2nc(N3CCOCC3)n(C)c2=S)C1 ZINC000738104906 1075963393 /nfs/dbraw/zinc/96/33/93/1075963393.db2.gz ARIHHVOSDWXXDN-ROUUACIJSA-N 1 0 408.616 2.332 20 0 HEADRO COC(=O)c1nn(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(=O)c2noc(C)c21 ZINC000738110517 1075965511 /nfs/dbraw/zinc/96/55/11/1075965511.db2.gz ZLNDBHBVFZWJFH-GOEBONIOSA-N 1 0 417.510 2.023 20 0 HEADRO O=C1C(=O)N(CN2CCC(CC[NH+]3CCOCC3)CC2)c2c1c(Cl)ccc2F ZINC000738112149 1075966628 /nfs/dbraw/zinc/96/66/28/1075966628.db2.gz TXBJVIOKLDODRA-UHFFFAOYSA-N 1 0 409.889 2.400 20 0 HEADRO CCOc1ccc(OCC[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001085731658 1075967193 /nfs/dbraw/zinc/96/71/93/1075967193.db2.gz HHAFCJQQKDPIOX-OWZHKRJHSA-N 1 0 400.519 2.420 20 0 HEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000804344270 1079495523 /nfs/dbraw/zinc/49/55/23/1079495523.db2.gz OOUPPLMTGOISFW-UHFFFAOYSA-N 1 0 422.508 2.296 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738228671 1075976501 /nfs/dbraw/zinc/97/65/01/1075976501.db2.gz YEJHWWIAYGKBOH-IFXJQAMLSA-N 1 0 408.340 2.307 20 0 HEADRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000738284822 1075978853 /nfs/dbraw/zinc/97/88/53/1075978853.db2.gz DMALZDYBJBGAIT-LJQANCHMSA-N 1 0 416.595 2.469 20 0 HEADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000738306671 1075986908 /nfs/dbraw/zinc/98/69/08/1075986908.db2.gz XAJJQNPNLFGSOZ-TZIWHRDSSA-N 1 0 418.545 2.478 20 0 HEADRO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Oc2cccc(-n3ccnc3)c2)c1 ZINC000738391660 1075993689 /nfs/dbraw/zinc/99/36/89/1075993689.db2.gz NFMPRIILWGQUJU-UHFFFAOYSA-N 1 0 416.411 2.213 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000738413507 1075995505 /nfs/dbraw/zinc/99/55/05/1075995505.db2.gz XKMZYAVWEYPQQS-UHFFFAOYSA-N 1 0 424.954 2.186 20 0 HEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000738520726 1075999397 /nfs/dbraw/zinc/99/93/97/1075999397.db2.gz LCIHVPOZDOOEOZ-UHFFFAOYSA-N 1 0 418.497 2.344 20 0 HEADRO COC(=O)/C=C\c1ccc(OCC[NH+]2CCC3(CC(C(=O)OC)=NO3)CC2)cc1 ZINC000771779079 1079500936 /nfs/dbraw/zinc/50/09/36/1079500936.db2.gz BALVQUGYRBSEAN-YVMONPNESA-N 1 0 402.447 2.036 20 0 HEADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000738969794 1076028148 /nfs/dbraw/zinc/02/81/48/1076028148.db2.gz FATSMIRKFVEDBD-UHFFFAOYSA-N 1 0 424.611 2.260 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000739060816 1076033604 /nfs/dbraw/zinc/03/36/04/1076033604.db2.gz AROPAJILLFHAQD-OAHLLOKOSA-N 1 0 402.539 2.276 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)CC1 ZINC000739066913 1076036263 /nfs/dbraw/zinc/03/62/63/1076036263.db2.gz JIXSQPOTRXSDGA-KRWDZBQOSA-N 1 0 402.539 2.087 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000739066920 1076036344 /nfs/dbraw/zinc/03/63/44/1076036344.db2.gz JLOYIGYPANCYHS-DYESRHJHSA-N 1 0 416.566 2.477 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000739068899 1076036362 /nfs/dbraw/zinc/03/63/62/1076036362.db2.gz HZCJJOBCQRELLJ-GOSISDBHSA-N 1 0 414.550 2.327 20 0 HEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000739086294 1076042463 /nfs/dbraw/zinc/04/24/63/1076042463.db2.gz LFPSPRWFYVPLQE-MJGOQNOKSA-N 1 0 402.539 2.231 20 0 HEADRO CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739089873 1076043088 /nfs/dbraw/zinc/04/30/88/1076043088.db2.gz QSNXXXKKGREAQD-HXOBKFHXSA-N 1 0 418.582 2.316 20 0 HEADRO COC(=O)N(C)Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000739119651 1076046127 /nfs/dbraw/zinc/04/61/27/1076046127.db2.gz LBNBFTHORDGGTK-IBGZPJMESA-N 1 0 416.522 2.300 20 0 HEADRO O=C(Nc1cccc(N2CCOC2=O)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000739119685 1076046392 /nfs/dbraw/zinc/04/63/92/1076046392.db2.gz MCOOOODREIPTHA-QGZVFWFLSA-N 1 0 400.479 2.059 20 0 HEADRO COc1ccccc1[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000739136229 1076049176 /nfs/dbraw/zinc/04/91/76/1076049176.db2.gz JMAJUQKIDUELRT-GOSISDBHSA-N 1 0 422.529 2.402 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cn2)CC1 ZINC000739688750 1076072014 /nfs/dbraw/zinc/07/20/14/1076072014.db2.gz SOKQQAVEBMCGBY-UHFFFAOYSA-N 1 0 405.543 2.143 20 0 HEADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@H](O)c2ccsc2)CC1 ZINC000740032974 1076097729 /nfs/dbraw/zinc/09/77/29/1076097729.db2.gz JNTQKKSYYRTIRY-FQEVSTJZSA-N 1 0 402.564 2.418 20 0 HEADRO C[C@@H](OC(=O)c1ccnc(-n2cccn2)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000740346593 1076155667 /nfs/dbraw/zinc/15/56/67/1076155667.db2.gz OACFPLOLUQOMAR-XLIONFOSSA-N 1 0 419.485 2.203 20 0 HEADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@@](C)(O)c2cccs2)c2ccccc2)CC1 ZINC000740477406 1076185943 /nfs/dbraw/zinc/18/59/43/1076185943.db2.gz BSEFGJCUVANBDO-WIYYLYMNSA-N 1 0 402.564 2.244 20 0 HEADRO Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000766254930 1076197297 /nfs/dbraw/zinc/19/72/97/1076197297.db2.gz KYTLHDVQQFTOJB-IBGZPJMESA-N 1 0 402.539 2.068 20 0 HEADRO O=C(Nc1ccc(-n2cnc3ccccc32)nc1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000740512745 1076199341 /nfs/dbraw/zinc/19/93/41/1076199341.db2.gz MNHMRDIMPMXOFT-QGZVFWFLSA-N 1 0 418.501 2.303 20 0 HEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000740713403 1076214483 /nfs/dbraw/zinc/21/44/83/1076214483.db2.gz PLAQUAMPEJAUTQ-MRXNPFEDSA-N 1 0 404.511 2.433 20 0 HEADRO COc1cc(OC)cc(-c2nn(CN3CC[NH+](CC(C)(C)O)CC3)c(=S)o2)c1 ZINC000740758833 1076229312 /nfs/dbraw/zinc/22/93/12/1076229312.db2.gz FGNMLZPAWSBZJK-UHFFFAOYSA-N 1 0 408.524 2.236 20 0 HEADRO COc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000740743176 1076230743 /nfs/dbraw/zinc/23/07/43/1076230743.db2.gz UYGFLRQGGZQEIH-INIZCTEOSA-N 1 0 424.501 2.296 20 0 HEADRO C[NH+]1CCC(N2CCC(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)CC2)CC1 ZINC000740820591 1076246295 /nfs/dbraw/zinc/24/62/95/1076246295.db2.gz LSRBINSOUCRLCO-UHFFFAOYSA-N 1 0 413.971 2.032 20 0 HEADRO C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740827172 1076249902 /nfs/dbraw/zinc/24/99/02/1076249902.db2.gz DETQLKLCRORRME-SJLPKXTDSA-N 1 0 417.554 2.209 20 0 HEADRO CC(C)C[C@@]1(C)CC(=O)N(CN2CC[NH+](CCCOCC(F)(F)F)CC2)C1=O ZINC000740853822 1076268097 /nfs/dbraw/zinc/26/80/97/1076268097.db2.gz GLMALLRNKSNCCQ-SFHVURJKSA-N 1 0 407.477 2.342 20 0 HEADRO CC(C)OCCCN(C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000740856222 1076269278 /nfs/dbraw/zinc/26/92/78/1076269278.db2.gz BOIZQSDBQZIGOW-JOCHJYFZSA-N 1 0 402.539 2.277 20 0 HEADRO CC[C@H]1C[N@H+](CCC(=O)NC(=O)NC)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740886892 1076286677 /nfs/dbraw/zinc/28/66/77/1076286677.db2.gz FWWPCQJFHIMOGH-ROUUACIJSA-N 1 0 404.511 2.344 20 0 HEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@H](O)c3c(F)cccc3F)cc2)CC1 ZINC000740907048 1076287087 /nfs/dbraw/zinc/28/70/87/1076287087.db2.gz HYOJCFRZVPIOIN-FQEVSTJZSA-N 1 0 418.488 2.245 20 0 HEADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H](O)c1ccccc1Cl ZINC000740907941 1076288151 /nfs/dbraw/zinc/28/81/51/1076288151.db2.gz QQEXNLWVXKAFSR-OAQYLSRUSA-N 1 0 416.953 2.490 20 0 HEADRO CC[C@@H]1C[N@H+](CCCC(=O)NC(N)=O)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740888076 1076288985 /nfs/dbraw/zinc/28/89/85/1076288985.db2.gz MLARARQLEMONJC-QZTJIDSGSA-N 1 0 404.511 2.473 20 0 HEADRO C[C@](O)(CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccsc1 ZINC000740906179 1076299012 /nfs/dbraw/zinc/29/90/12/1076299012.db2.gz BRLMOQLEZJUOMA-NRFANRHFSA-N 1 0 402.564 2.467 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000766260307 1076318573 /nfs/dbraw/zinc/31/85/73/1076318573.db2.gz BLRGJTSLDNUWCF-AEFFLSMTSA-N 1 0 411.543 2.295 20 0 HEADRO CCOC(=O)C1=C(COC(=O)[C@H](C)[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccco1 ZINC000741031263 1076331352 /nfs/dbraw/zinc/33/13/52/1076331352.db2.gz OBLZFUJHNPLXFV-KBXCAEBGSA-N 1 0 419.478 2.258 20 0 HEADRO CC[C@H](C(=O)OCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[NH+](CC)CC ZINC000741032722 1076331502 /nfs/dbraw/zinc/33/15/02/1076331502.db2.gz IQZMJKRBEFJEFL-LJQANCHMSA-N 1 0 421.513 2.341 20 0 HEADRO CS(=O)(=O)Nc1ccc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000741070955 1076353012 /nfs/dbraw/zinc/35/30/12/1076353012.db2.gz RDEXKEXGNYRZDF-UHFFFAOYSA-N 1 0 410.540 2.024 20 0 HEADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000741071094 1076353375 /nfs/dbraw/zinc/35/33/75/1076353375.db2.gz QLUKOFCNGATSQQ-QZTJIDSGSA-N 1 0 410.540 2.213 20 0 HEADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000741072928 1076353929 /nfs/dbraw/zinc/35/39/29/1076353929.db2.gz LRXOISJWQARDQH-CYBMUJFWSA-N 1 0 400.520 2.366 20 0 HEADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccccc1C(=O)N(C)C ZINC000741109656 1076362588 /nfs/dbraw/zinc/36/25/88/1076362588.db2.gz TVVURTSCNBRRLC-SFHVURJKSA-N 1 0 422.529 2.450 20 0 HEADRO O=C(NC[C@H](O)c1c(F)cccc1F)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000741102844 1076373250 /nfs/dbraw/zinc/37/32/50/1076373250.db2.gz KJDYOXSYQMFCME-IBGZPJMESA-N 1 0 417.456 2.391 20 0 HEADRO COc1ccc([C@H]2[C@H](COC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC[N@@H+]2C)cc1 ZINC000741123707 1076380188 /nfs/dbraw/zinc/38/01/88/1076380188.db2.gz IHAPAMWLMAWQFE-KKSFZXQISA-N 1 0 423.469 2.347 20 0 HEADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000741155494 1076389059 /nfs/dbraw/zinc/38/90/59/1076389059.db2.gz GFCUWNPNZXVARR-ZCNNSNEGSA-N 1 0 422.614 2.366 20 0 HEADRO CCc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nnn1-c1ccc(OC(C)C)cc1 ZINC000741209278 1076404262 /nfs/dbraw/zinc/40/42/62/1076404262.db2.gz IXNVZICJOBXREX-PKOBYXMFSA-N 1 0 413.522 2.210 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000741221683 1076410370 /nfs/dbraw/zinc/41/03/70/1076410370.db2.gz BPAOGESFKQQBOE-VQIMIIECSA-N 1 0 414.424 2.232 20 0 HEADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCC(=O)Nc1ccc(N3CCOCC3)cc1)CC2 ZINC000741250995 1076419665 /nfs/dbraw/zinc/41/96/65/1076419665.db2.gz HYJNIJMERBAAFQ-NHCUHLMSSA-N 1 0 417.550 2.104 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CCO1 ZINC000741267042 1076436736 /nfs/dbraw/zinc/43/67/36/1076436736.db2.gz PYFWDPWEISWCIR-IAGOWNOFSA-N 1 0 409.552 2.495 20 0 HEADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@H](O)c2ccc(C)o2)CC1 ZINC000741267895 1076437391 /nfs/dbraw/zinc/43/73/91/1076437391.db2.gz DGGAUHCWEXIOME-FQEVSTJZSA-N 1 0 400.523 2.258 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@@H](O)c3c(F)cccc3Cl)ccn2)CC1 ZINC000741271266 1076439189 /nfs/dbraw/zinc/43/91/89/1076439189.db2.gz WYCMWEICPWQLSC-QGZVFWFLSA-N 1 0 421.904 2.159 20 0 HEADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000741259712 1076447016 /nfs/dbraw/zinc/44/70/16/1076447016.db2.gz AHUAAQRPZGRLIC-UHFFFAOYSA-N 1 0 401.891 2.003 20 0 HEADRO CC[C@H]1CN(CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CCN1CC(F)F ZINC000766267846 1076450198 /nfs/dbraw/zinc/45/01/98/1076450198.db2.gz HXWREJJKAMVNLM-IBGZPJMESA-N 1 0 423.552 2.428 20 0 HEADRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CC3)cc2)CC1 ZINC000741291611 1076460277 /nfs/dbraw/zinc/46/02/77/1076460277.db2.gz BNYUMHUTPRFEBP-HXUWFJFHSA-N 1 0 416.566 2.467 20 0 HEADRO Cn1cc(N2CC[C@@H](OC(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)C2=O)cn1 ZINC000741323482 1076463255 /nfs/dbraw/zinc/46/32/55/1076463255.db2.gz ALWTZNVMPLNIJC-VQIMIIECSA-N 1 0 400.454 2.120 20 0 HEADRO O=C(COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)NC(=O)NCc1ccco1 ZINC000741326173 1076476759 /nfs/dbraw/zinc/47/67/59/1076476759.db2.gz LCUIDGJRKZPHGI-MRXNPFEDSA-N 1 0 417.437 2.200 20 0 HEADRO O=C(COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)Nc1nnc(C2CC2)o1 ZINC000741326982 1076477414 /nfs/dbraw/zinc/47/74/14/1076477414.db2.gz NJJYISPGRNBJSH-HNNXBMFYSA-N 1 0 402.426 2.480 20 0 HEADRO COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000741327269 1076477961 /nfs/dbraw/zinc/47/79/61/1076477961.db2.gz NKEAMOVARKWGDD-YLJYHZDGSA-N 1 0 416.518 2.242 20 0 HEADRO C[C@@H](OC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(=O)NC(=O)NCC(F)(F)F ZINC000741330074 1076478662 /nfs/dbraw/zinc/47/86/62/1076478662.db2.gz OYYVEMJKSRQQEL-CYBMUJFWSA-N 1 0 415.412 2.218 20 0 HEADRO C[C@H](OC(=O)CN1CCc2ccccc21)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000741336332 1076481595 /nfs/dbraw/zinc/48/15/95/1076481595.db2.gz WHOYVYNNELLQNV-GHTZIAJQSA-N 1 0 407.514 2.372 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NCCOc3ccccc3)cc2)CC1 ZINC000741342730 1076486421 /nfs/dbraw/zinc/48/64/21/1076486421.db2.gz NMOYBBYEAMOICX-UHFFFAOYSA-N 1 0 411.502 2.181 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NCc3ccc(OC)cc3)cc2)CC1 ZINC000741344425 1076488554 /nfs/dbraw/zinc/48/85/54/1076488554.db2.gz UYARCDKCOORUFK-UHFFFAOYSA-N 1 0 411.502 2.310 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCO1 ZINC000741393625 1076519696 /nfs/dbraw/zinc/51/96/96/1076519696.db2.gz RWCOPPPRMSILST-GOSISDBHSA-N 1 0 407.536 2.074 20 0 HEADRO C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000741428818 1076521699 /nfs/dbraw/zinc/52/16/99/1076521699.db2.gz ZTRABTIDEBAWMS-LJQANCHMSA-N 1 0 424.545 2.177 20 0 HEADRO 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 ZINC000741586847 1076546706 /nfs/dbraw/zinc/54/67/06/1076546706.db2.gz BIKDYHRQCUCUNC-WMLDXEAASA-N 1 0 407.536 2.042 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)[C@@H](C)C1 ZINC000741589049 1076546965 /nfs/dbraw/zinc/54/69/65/1076546965.db2.gz JYCLUBDSUXALCC-DZGCQCFKSA-N 1 0 422.576 2.100 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)[C@H](C)C1 ZINC000741588161 1076546978 /nfs/dbraw/zinc/54/69/78/1076546978.db2.gz HOPWUXYZOLJHCT-QAPCUYQASA-N 1 0 411.543 2.413 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)[C@H](C)C1 ZINC000741589051 1076547282 /nfs/dbraw/zinc/54/72/82/1076547282.db2.gz JYCLUBDSUXALCC-HIFRSBDPSA-N 1 0 422.576 2.100 20 0 HEADRO C[C@@H]1C[C@H](N(C)C(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC[N@@H+]1C ZINC000741592483 1076548870 /nfs/dbraw/zinc/54/88/70/1076548870.db2.gz ZYXDQXYABXRYEY-NVXWUHKLSA-N 1 0 408.506 2.395 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000741577521 1076551877 /nfs/dbraw/zinc/55/18/77/1076551877.db2.gz BKFNOGODFWLKBZ-QAPCUYQASA-N 1 0 420.558 2.262 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@H](C)C1 ZINC000741584574 1076555099 /nfs/dbraw/zinc/55/50/99/1076555099.db2.gz QQWBYOAOBCCCOR-CXAGYDPISA-N 1 0 401.960 2.393 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@H](OC(C)C)C3(C)C)cc2)CC1 ZINC000766272875 1076561066 /nfs/dbraw/zinc/56/10/66/1076561066.db2.gz CGVRPUQGNCKECE-UXHICEINSA-N 1 0 416.566 2.475 20 0 HEADRO CC(C)c1ccc(N2CC[C@H](C(=O)NCCCN3CCC[N@H+](C)CC3)C2=O)cc1 ZINC000741692532 1076587986 /nfs/dbraw/zinc/58/79/86/1076587986.db2.gz UWHIKCCYDARNTP-OAQYLSRUSA-N 1 0 400.567 2.307 20 0 HEADRO CN(C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000741719674 1076592552 /nfs/dbraw/zinc/59/25/52/1076592552.db2.gz NOSJWFVQPZJBNH-KRWDZBQOSA-N 1 0 412.515 2.414 20 0 HEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000741703572 1076598309 /nfs/dbraw/zinc/59/83/09/1076598309.db2.gz DORDWKOOPFCUMH-PXNSSMCTSA-N 1 0 422.595 2.217 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000741703573 1076598391 /nfs/dbraw/zinc/59/83/91/1076598391.db2.gz DORDWKOOPFCUMH-XLIONFOSSA-N 1 0 422.595 2.217 20 0 HEADRO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741779574 1076624270 /nfs/dbraw/zinc/62/42/70/1076624270.db2.gz LRIMUUZANKGXLF-MSOLQXFVSA-N 1 0 408.587 2.308 20 0 HEADRO Cc1ccccc1[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000741781732 1076625184 /nfs/dbraw/zinc/62/51/84/1076625184.db2.gz OUWFZNVOBGZMLZ-MJGOQNOKSA-N 1 0 405.539 2.381 20 0 HEADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000741786339 1076626814 /nfs/dbraw/zinc/62/68/14/1076626814.db2.gz VRIATEXCAKTIPK-OAHLLOKOSA-N 1 0 408.543 2.476 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000741814475 1076635766 /nfs/dbraw/zinc/63/57/66/1076635766.db2.gz KBKVTHYESRSTTC-HXUWFJFHSA-N 1 0 415.534 2.214 20 0 HEADRO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)CC1 ZINC000741800284 1076641116 /nfs/dbraw/zinc/64/11/16/1076641116.db2.gz UWZQHZMZULPKBU-IBGZPJMESA-N 1 0 403.523 2.250 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC2CC(OCc3ccccc3)C2)CC1 ZINC000766277915 1076650505 /nfs/dbraw/zinc/65/05/05/1076650505.db2.gz SUPQOZRBQMZEGD-UHFFFAOYSA-N 1 0 422.529 2.241 20 0 HEADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccncc4)C3)cc2)CC1 ZINC000741891310 1076661048 /nfs/dbraw/zinc/66/10/48/1076661048.db2.gz VPTCZTJYHYKZDJ-IBGZPJMESA-N 1 0 407.518 2.324 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)[C@H](C)C1 ZINC000741954042 1076693730 /nfs/dbraw/zinc/69/37/30/1076693730.db2.gz BPBRVCNBSBSMFB-SJLPKXTDSA-N 1 0 420.579 2.036 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)cc1 ZINC000741982791 1076702367 /nfs/dbraw/zinc/70/23/67/1076702367.db2.gz JCGGNDABIVNTKZ-GOSISDBHSA-N 1 0 421.545 2.281 20 0 HEADRO C[C@@H](CNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000742048252 1076717657 /nfs/dbraw/zinc/71/76/57/1076717657.db2.gz ORDLHRDLGKPHNQ-IRXDYDNUSA-N 1 0 420.579 2.084 20 0 HEADRO CCOC(=O)N1[C@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC[C@H]1c1ccc(C)o1 ZINC000742106892 1076743786 /nfs/dbraw/zinc/74/37/86/1076743786.db2.gz AQQJONGQNSBUMB-FHWLQOOXSA-N 1 0 419.522 2.431 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)CC1 ZINC000742098538 1076749577 /nfs/dbraw/zinc/74/95/77/1076749577.db2.gz SLIJVWOVBRYAMG-QFIPXVFZSA-N 1 0 400.523 2.000 20 0 HEADRO COc1ccc(-c2nn(CN3CC[C@H](C[NH+]4CCOCC4)C3)c(=S)n2C)cc1 ZINC000742167324 1076762213 /nfs/dbraw/zinc/76/22/13/1076762213.db2.gz SIAOJKHPNRXPEP-MRXNPFEDSA-N 1 0 403.552 2.238 20 0 HEADRO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000742162626 1076773189 /nfs/dbraw/zinc/77/31/89/1076773189.db2.gz XBMUISBULGJNJI-KOSHJBKYSA-N 1 0 422.529 2.218 20 0 HEADRO CC1N=NC(=S)N1CCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000742182695 1076798003 /nfs/dbraw/zinc/79/80/03/1076798003.db2.gz LWVZNXJKBCTNOR-QGZVFWFLSA-N 1 0 413.469 2.446 20 0 HEADRO C[NH+](C)CCN1C[C@H](C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)CC1=O ZINC000742251492 1076798625 /nfs/dbraw/zinc/79/86/25/1076798625.db2.gz CPPNIXRWRNHXPR-OAHLLOKOSA-N 1 0 401.488 2.316 20 0 HEADRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000742241933 1076804314 /nfs/dbraw/zinc/80/43/14/1076804314.db2.gz XTWXNJFJCGJGDH-UHFFFAOYSA-N 1 0 424.498 2.179 20 0 HEADRO CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000742250812 1076806427 /nfs/dbraw/zinc/80/64/27/1076806427.db2.gz KRPLGXHKKNYPHA-QGZVFWFLSA-N 1 0 414.579 2.022 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)Nc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000742272470 1076807432 /nfs/dbraw/zinc/80/74/32/1076807432.db2.gz DHOXWDPAJWMLEL-UHFFFAOYSA-N 1 0 424.567 2.191 20 0 HEADRO CCOC(=O)c1cc(S(=O)(=O)NCC2([NH+](C)C)Cc3ccccc3C2)ccc1F ZINC000742306098 1076813059 /nfs/dbraw/zinc/81/30/59/1076813059.db2.gz GDCSWDZSGBZDPH-UHFFFAOYSA-N 1 0 420.506 2.380 20 0 HEADRO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742308060 1076813813 /nfs/dbraw/zinc/81/38/13/1076813813.db2.gz CFRWAQAXUYVERC-PMACEKPBSA-N 1 0 423.579 2.391 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000742282811 1076815266 /nfs/dbraw/zinc/81/52/66/1076815266.db2.gz SZDVIHZXGZJPJX-UHFFFAOYSA-N 1 0 423.579 2.439 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000742283598 1076815626 /nfs/dbraw/zinc/81/56/26/1076815626.db2.gz VMRFSONMCMSBHC-BBWFWOEESA-N 1 0 401.573 2.274 20 0 HEADRO CCCC[N@H+](C)CCNS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742296418 1076821126 /nfs/dbraw/zinc/82/11/26/1076821126.db2.gz WYPITHNHFSFSJG-IBGZPJMESA-N 1 0 411.568 2.439 20 0 HEADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CC[C@H](CN2CCOCC2)C1 ZINC000742316229 1076828522 /nfs/dbraw/zinc/82/85/22/1076828522.db2.gz FWUMKKZPJBOGAY-GXDWLZFVSA-N 1 0 415.353 2.404 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)C1 ZINC000742347902 1076832457 /nfs/dbraw/zinc/83/24/57/1076832457.db2.gz ZLUGZSOTRINQNI-LBPRGKRZSA-N 1 0 419.341 2.198 20 0 HEADRO COC(=O)C1CC[NH+](CCCNC(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000742542419 1076850248 /nfs/dbraw/zinc/85/02/48/1076850248.db2.gz SBIVUVLFJTVHDE-QGZVFWFLSA-N 1 0 411.543 2.167 20 0 HEADRO C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000742666498 1076862041 /nfs/dbraw/zinc/86/20/41/1076862041.db2.gz VVAUGQFBRYDTEJ-YTQUADARSA-N 1 0 404.555 2.251 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000742707623 1076865530 /nfs/dbraw/zinc/86/55/30/1076865530.db2.gz BEAZPWUZYCIDOC-QUCCMNQESA-N 1 0 417.550 2.476 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000742689629 1076867144 /nfs/dbraw/zinc/86/71/44/1076867144.db2.gz IAQHAPIROTWTEL-LJQANCHMSA-N 1 0 405.539 2.258 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000742731299 1076871103 /nfs/dbraw/zinc/87/11/03/1076871103.db2.gz KLKWSFRWEJLISG-ZBFHGGJFSA-N 1 0 402.992 2.415 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN1CCc2ccccc21 ZINC000742718561 1076874334 /nfs/dbraw/zinc/87/43/34/1076874334.db2.gz PLPGYSOLQSSVQS-MRXNPFEDSA-N 1 0 408.955 2.357 20 0 HEADRO CCOC(Cn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nn1)OCC ZINC000742790517 1076879455 /nfs/dbraw/zinc/87/94/55/1076879455.db2.gz HAROVPXEBSEFSJ-SFHVURJKSA-N 1 0 401.511 2.024 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)C1 ZINC000742880668 1076888339 /nfs/dbraw/zinc/88/83/39/1076888339.db2.gz ODRCCYMTRLXLET-OAHLLOKOSA-N 1 0 407.536 2.043 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)C1 ZINC000742881006 1076888563 /nfs/dbraw/zinc/88/85/63/1076888563.db2.gz WNHZAQWVAKQNOP-QGZVFWFLSA-N 1 0 420.579 2.038 20 0 HEADRO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)C1 ZINC000742865724 1076889913 /nfs/dbraw/zinc/88/99/13/1076889913.db2.gz JDTUPZJBWUKREQ-FXAWDEMLSA-N 1 0 400.523 2.375 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C1 ZINC000742866987 1076890071 /nfs/dbraw/zinc/89/00/71/1076890071.db2.gz FGAGAXNJFAGNSG-CQSZACIVSA-N 1 0 417.959 2.326 20 0 HEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccnc(-n4ccnc4)c3)cc2)CC1 ZINC000742898773 1076894542 /nfs/dbraw/zinc/89/45/42/1076894542.db2.gz ZMVVLRJQYMVNHF-UHFFFAOYSA-N 1 0 406.490 2.146 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C1 ZINC000742901921 1076895194 /nfs/dbraw/zinc/89/51/94/1076895194.db2.gz JFKRJRYHMDWKBG-AWEZNQCLSA-N 1 0 403.932 2.078 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(C(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000742902558 1076895260 /nfs/dbraw/zinc/89/52/60/1076895260.db2.gz YJEWFBLVRCVNEC-KRWDZBQOSA-N 1 0 408.506 2.396 20 0 HEADRO C[C@@H]1NC(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)=NN(c2ccccc2)C1=O ZINC000742964001 1076911420 /nfs/dbraw/zinc/91/14/20/1076911420.db2.gz VMWMDOODJMTZMR-OALUTQOASA-N 1 0 419.529 2.448 20 0 HEADRO CCCc1cc[n+](C(C(=O)c2cnn(-c3ccccc3)c2)C(=S)NCC(N)=O)cc1 ZINC000743052291 1076941055 /nfs/dbraw/zinc/94/10/55/1076941055.db2.gz HGENQQROXUMIIA-UHFFFAOYSA-O 1 0 422.534 2.398 20 0 HEADRO CN(CC[NH+]1CCCC1)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000743079112 1076946552 /nfs/dbraw/zinc/94/65/52/1076946552.db2.gz POFBWUKBXGOJQV-UHFFFAOYSA-N 1 0 421.567 2.497 20 0 HEADRO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000743162978 1076981263 /nfs/dbraw/zinc/98/12/63/1076981263.db2.gz HUGZWEPHRFBHED-CQSZACIVSA-N 1 0 420.457 2.133 20 0 HEADRO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000743164652 1076983137 /nfs/dbraw/zinc/98/31/37/1076983137.db2.gz XHUXZBUXBUJHLZ-UHFFFAOYSA-N 1 0 420.457 2.229 20 0 HEADRO CC(C)[C@H](CNC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1)[NH+]1CCN(C)CC1 ZINC000743171375 1076987591 /nfs/dbraw/zinc/98/75/91/1076987591.db2.gz QPQANZJQOWBTIE-RXVVDRJESA-N 1 0 403.571 2.305 20 0 HEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1ccn(Cc2ccccn2)n1 ZINC000743172834 1076987999 /nfs/dbraw/zinc/98/79/99/1076987999.db2.gz YPIBRAIZWCHLHI-JOCHJYFZSA-N 1 0 406.490 2.085 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)N3CC[NH+](CC4CCOCC4)CC3)cc2)CCO1 ZINC000743176828 1076990027 /nfs/dbraw/zinc/99/00/27/1076990027.db2.gz AZWKENHQUUGBAP-GOSISDBHSA-N 1 0 402.539 2.488 20 0 HEADRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000743205096 1076995941 /nfs/dbraw/zinc/99/59/41/1076995941.db2.gz OHBCZXCXDIUIHP-GOSISDBHSA-N 1 0 400.527 2.046 20 0 HEADRO CS(=O)(=O)CCn1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000743207676 1076999682 /nfs/dbraw/zinc/99/96/82/1076999682.db2.gz PCVDMRFCOHOSDJ-UHFFFAOYSA-N 1 0 411.572 2.048 20 0 HEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743208755 1077000406 /nfs/dbraw/zinc/00/04/06/1077000406.db2.gz RPLGZIMROBNYHA-UHFFFAOYSA-N 1 0 407.540 2.091 20 0 HEADRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccccc1 ZINC000743210341 1077001484 /nfs/dbraw/zinc/00/14/84/1077001484.db2.gz KQMGHXVBYBPABZ-HNNXBMFYSA-N 1 0 407.540 2.179 20 0 HEADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2ccc(N3CCSCC3)cc2)CC1 ZINC000743190906 1077002405 /nfs/dbraw/zinc/00/24/05/1077002405.db2.gz UZQVMWVKPJCNAG-UHFFFAOYSA-N 1 0 417.579 2.012 20 0 HEADRO CCCNS(=O)(=O)c1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000743213699 1077005025 /nfs/dbraw/zinc/00/50/25/1077005025.db2.gz MZRPCMSHMRITIN-SFHVURJKSA-N 1 0 424.567 2.140 20 0 HEADRO COc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1N1CCOC1=O ZINC000743233625 1077008611 /nfs/dbraw/zinc/00/86/11/1077008611.db2.gz RMSPQMLZCPTRBE-INIZCTEOSA-N 1 0 406.483 2.010 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000743239525 1077011972 /nfs/dbraw/zinc/01/19/72/1077011972.db2.gz BCRNIHBTOXWUBW-LJQANCHMSA-N 1 0 403.527 2.345 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000743280207 1077016152 /nfs/dbraw/zinc/01/61/52/1077016152.db2.gz QDEALAURVBSLJI-HXUWFJFHSA-N 1 0 412.538 2.178 20 0 HEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)Cc3cccc(O)c3)CC2)cc1 ZINC000743260490 1077016671 /nfs/dbraw/zinc/01/66/71/1077016671.db2.gz WCRGJRZIBXGIHE-UHFFFAOYSA-N 1 0 412.486 2.221 20 0 HEADRO CC(=O)NCC1CC[NH+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000743263287 1077017777 /nfs/dbraw/zinc/01/77/77/1077017777.db2.gz BAGUHXSZLXIBEB-SFTDATJTSA-N 1 0 419.566 2.331 20 0 HEADRO CN(c1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1)C1CC[NH+](C)CC1 ZINC000743311942 1077024450 /nfs/dbraw/zinc/02/44/50/1077024450.db2.gz DECCJWCOWVFJLV-UHFFFAOYSA-N 1 0 422.577 2.373 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(F)cc1F ZINC000743373627 1077035022 /nfs/dbraw/zinc/03/50/22/1077035022.db2.gz SOIZROLOMJNALM-STQMWFEESA-N 1 0 410.465 2.346 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)C1 ZINC000743387870 1077039494 /nfs/dbraw/zinc/03/94/94/1077039494.db2.gz OLFZQMNPBHTFOT-GCJKJVERSA-N 1 0 402.539 2.169 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1 ZINC000743394101 1077040905 /nfs/dbraw/zinc/04/09/05/1077040905.db2.gz DHOJVTTWDIXYMP-HTAPYJJXSA-N 1 0 416.522 2.032 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000743398754 1077042531 /nfs/dbraw/zinc/04/25/31/1077042531.db2.gz KXKOXVDWOQJEGQ-IFXJQAMLSA-N 1 0 423.355 2.447 20 0 HEADRO Cc1nn(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(=S)n1CC(=O)N(C)C ZINC000743407979 1077047704 /nfs/dbraw/zinc/04/77/04/1077047704.db2.gz ZCOKLDZEXFXICC-KRWDZBQOSA-N 1 0 416.595 2.365 20 0 HEADRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)[NH+](C)C)cc1 ZINC000743414107 1077049396 /nfs/dbraw/zinc/04/93/96/1077049396.db2.gz SGPKTOGIIAAWSE-LJQANCHMSA-N 1 0 410.474 2.309 20 0 HEADRO Cc1c(C(=O)NC[C@H](C)CC2(C)OCCO2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000743488724 1077060065 /nfs/dbraw/zinc/06/00/65/1077060065.db2.gz HJZJAQQZXPIEFB-OAHLLOKOSA-N 1 0 413.522 2.083 20 0 HEADRO C[C@H]1C[NH+](CCCNC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)C[C@H](C)O1 ZINC000743528924 1077064011 /nfs/dbraw/zinc/06/40/11/1077064011.db2.gz MRFMTGDKUKZHRI-IRXDYDNUSA-N 1 0 416.522 2.210 20 0 HEADRO CCN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000743547211 1077066614 /nfs/dbraw/zinc/06/66/14/1077066614.db2.gz AURUWCGEELCASX-SFHVURJKSA-N 1 0 411.591 2.055 20 0 HEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000743622591 1077076853 /nfs/dbraw/zinc/07/68/53/1077076853.db2.gz IXRKIZPUQVRMGF-OAQYLSRUSA-N 1 0 403.571 2.131 20 0 HEADRO CCN(CC1CCN(c2ccccn2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000743594013 1077077416 /nfs/dbraw/zinc/07/74/16/1077077416.db2.gz LFSGBEINTIDSNL-PMACEKPBSA-N 1 0 401.555 2.193 20 0 HEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000743626544 1077082402 /nfs/dbraw/zinc/08/24/02/1077082402.db2.gz LJEZRSCYJSDKHR-QZTJIDSGSA-N 1 0 406.527 2.272 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000743632282 1077083269 /nfs/dbraw/zinc/08/32/69/1077083269.db2.gz OEWKNWSDYDDDAP-HIFRSBDPSA-N 1 0 400.932 2.190 20 0 HEADRO C[C@@H]1C[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC[N@@H+]1C ZINC000743639936 1077085478 /nfs/dbraw/zinc/08/54/78/1077085478.db2.gz ZTBLNPAEWPTBGK-NFHUAXAMSA-N 1 0 408.502 2.206 20 0 HEADRO O=C(CCNS(=O)(=O)/C=C\c1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743711938 1077094599 /nfs/dbraw/zinc/09/45/99/1077094599.db2.gz GIPBMYOKECXAAO-TUOAVLBBSA-N 1 0 405.564 2.301 20 0 HEADRO O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743712613 1077094939 /nfs/dbraw/zinc/09/49/39/1077094939.db2.gz WGGMMDHXFSSZDZ-NJYVYQBISA-N 1 0 415.534 2.093 20 0 HEADRO CC(C)[C@@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)[NH+]1CCN(C)CC1 ZINC000743740156 1077098909 /nfs/dbraw/zinc/09/89/09/1077098909.db2.gz REISGGJXDTZOAN-OAHLLOKOSA-N 1 0 422.624 2.074 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000743764170 1077116866 /nfs/dbraw/zinc/11/68/66/1077116866.db2.gz AMJHZHIHPHIFBF-PGRDOPGGSA-N 1 0 405.539 2.289 20 0 HEADRO CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000743766920 1077120702 /nfs/dbraw/zinc/12/07/02/1077120702.db2.gz ZSWFJVMOVDGGGO-QFIPXVFZSA-N 1 0 405.539 2.433 20 0 HEADRO O=C(OCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000743812805 1077128425 /nfs/dbraw/zinc/12/84/25/1077128425.db2.gz WEUGYUMSSZDALU-UHFFFAOYSA-N 1 0 416.490 2.395 20 0 HEADRO CC[C@H](CO)[NH+]1CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1 ZINC000743859578 1077145610 /nfs/dbraw/zinc/14/56/10/1077145610.db2.gz DCAQBWDMCMRKGT-LLVKDONJSA-N 1 0 401.330 2.449 20 0 HEADRO CC(=O)NC1CC[NH+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000743843804 1077148960 /nfs/dbraw/zinc/14/89/60/1077148960.db2.gz WCFCFVYQGHZHDS-PMACEKPBSA-N 1 0 405.539 2.084 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)C1 ZINC000743867118 1077153172 /nfs/dbraw/zinc/15/31/72/1077153172.db2.gz MZKRQIWEMBGZPO-FXAWDEMLSA-N 1 0 400.523 2.226 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000743882543 1077167345 /nfs/dbraw/zinc/16/73/45/1077167345.db2.gz AINNTPAGAWNFJO-HZPDHXFCSA-N 1 0 416.522 2.374 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000743885567 1077175105 /nfs/dbraw/zinc/17/51/05/1077175105.db2.gz WRIOGPPSYUQVBK-IAGOWNOFSA-N 1 0 404.580 2.415 20 0 HEADRO Cc1c(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cccc1N1CCOC1=O ZINC000743917446 1077198508 /nfs/dbraw/zinc/19/85/08/1077198508.db2.gz OJUHRPDRCQIGBT-KRWDZBQOSA-N 1 0 414.506 2.367 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000743895565 1077206120 /nfs/dbraw/zinc/20/61/20/1077206120.db2.gz QNZCAODPHHBMFW-SFHVURJKSA-N 1 0 424.501 2.179 20 0 HEADRO Cc1c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1N1CCOC1=O ZINC000743897701 1077208692 /nfs/dbraw/zinc/20/86/92/1077208692.db2.gz SAOCKNYATODSAW-HUUCEWRRSA-N 1 0 402.495 2.127 20 0 HEADRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1N1CCOC1=O ZINC000743897292 1077209102 /nfs/dbraw/zinc/20/91/02/1077209102.db2.gz DLSULHSHURTGHL-XHSDSOJGSA-N 1 0 416.522 2.373 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000743898217 1077210926 /nfs/dbraw/zinc/21/09/26/1077210926.db2.gz RLPMXYDNQJGVLF-YQQAZPJKSA-N 1 0 416.522 2.373 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000743906570 1077219040 /nfs/dbraw/zinc/21/90/40/1077219040.db2.gz IVEFVJPOHROHHP-IYBDPMFKSA-N 1 0 402.495 2.269 20 0 HEADRO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000743943118 1077237666 /nfs/dbraw/zinc/23/76/66/1077237666.db2.gz WGOITSRLLLHKRY-MRXNPFEDSA-N 1 0 420.966 2.304 20 0 HEADRO O=C(Nc1ccccc1SC(F)(F)F)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000743944174 1077238822 /nfs/dbraw/zinc/23/88/22/1077238822.db2.gz HRWCZLJXZYKRFE-CYBMUJFWSA-N 1 0 417.453 2.418 20 0 HEADRO O=C(Nc1cccc(C2SCCS2)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000743943993 1077238887 /nfs/dbraw/zinc/23/88/87/1077238887.db2.gz HIVMZPRTLYRUHQ-HNNXBMFYSA-N 1 0 421.588 2.284 20 0 HEADRO O=C(Nc1ccccc1N1CCCCC1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743945283 1077239619 /nfs/dbraw/zinc/23/96/19/1077239619.db2.gz BIOBZCJTGSMYKU-LJQANCHMSA-N 1 0 414.550 2.375 20 0 HEADRO C[C@H](O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000743925509 1077249228 /nfs/dbraw/zinc/24/92/28/1077249228.db2.gz GRIURXCRAQCGHC-HNNXBMFYSA-N 1 0 422.545 2.208 20 0 HEADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000743924768 1077249267 /nfs/dbraw/zinc/24/92/67/1077249267.db2.gz TYKNBLNUUZEZJL-UHFFFAOYSA-N 1 0 424.501 2.043 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)C2=O)cc1 ZINC000743954257 1077262661 /nfs/dbraw/zinc/26/26/61/1077262661.db2.gz CTLDYBMNVFXTIP-NRFANRHFSA-N 1 0 422.529 2.349 20 0 HEADRO CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743948196 1077277919 /nfs/dbraw/zinc/27/79/19/1077277919.db2.gz YOXUYAQHZWKECZ-KRWDZBQOSA-N 1 0 407.486 2.311 20 0 HEADRO O=C(Nc1ccc(N2CCCCC2)cc1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743949192 1077278619 /nfs/dbraw/zinc/27/86/19/1077278619.db2.gz LIYJYPIDAIDRHC-NRFANRHFSA-N 1 0 414.550 2.375 20 0 HEADRO Cc1c(Br)cccc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743949292 1077278685 /nfs/dbraw/zinc/27/86/85/1077278685.db2.gz MTRMYIGWOIPMBF-OAHLLOKOSA-N 1 0 424.339 2.456 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000743989263 1077282217 /nfs/dbraw/zinc/28/22/17/1077282217.db2.gz XIKYMIORIXYADH-FHWLQOOXSA-N 1 0 416.566 2.429 20 0 HEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000743991738 1077283042 /nfs/dbraw/zinc/28/30/42/1077283042.db2.gz BIOLMJJGFMWQMT-ABSDTBQOSA-N 1 0 402.539 2.181 20 0 HEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCCC(F)(F)F)cc2F)CC1 ZINC000743992476 1077283547 /nfs/dbraw/zinc/28/35/47/1077283547.db2.gz AAKAKGWWGLSFOR-UHFFFAOYSA-N 1 0 404.408 2.363 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)C1 ZINC000743994793 1077284686 /nfs/dbraw/zinc/28/46/86/1077284686.db2.gz IDXGOZGHYTYPAD-CQSZACIVSA-N 1 0 406.914 2.206 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(CC)CCCO)cc2Cl)CC1 ZINC000743995576 1077285279 /nfs/dbraw/zinc/28/52/79/1077285279.db2.gz OILSMZDOMJQGBT-UHFFFAOYSA-N 1 0 410.946 2.041 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)C1 ZINC000743997254 1077286166 /nfs/dbraw/zinc/28/61/66/1077286166.db2.gz ZVLYXZXJEOLNQN-QGZVFWFLSA-N 1 0 404.511 2.060 20 0 HEADRO 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PMQLMNPCOGXMKN-QGZVFWFLSA-N 1 0 410.518 2.461 20 0 HEADRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1C[C@@H](O)c1c(F)cccc1F ZINC000767362288 1079829120 /nfs/dbraw/zinc/82/91/20/1079829120.db2.gz QZXUFJXQKPSLGY-UTKZUKDTSA-N 1 0 401.413 2.195 20 0 HEADRO C[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000772343121 1079832524 /nfs/dbraw/zinc/83/25/24/1079832524.db2.gz GUZCHNSXTAHGPV-ROUUACIJSA-N 1 0 411.591 2.101 20 0 HEADRO Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)CC2(O)CCS(=O)(=O)CC2)c1 ZINC000767413932 1079838084 /nfs/dbraw/zinc/83/80/84/1079838084.db2.gz AQZIFWPWPPIVEM-NRFANRHFSA-N 1 0 403.544 2.470 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](CC2(O)CCS(=O)(=O)CC2)C1 ZINC000767383097 1079839182 /nfs/dbraw/zinc/83/91/82/1079839182.db2.gz MUBAXOTUGLKZNN-IAGOWNOFSA-N 1 0 416.584 2.038 20 0 HEADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccccc1N1CCOC1=O ZINC000772366494 1079849252 /nfs/dbraw/zinc/84/92/52/1079849252.db2.gz FNGUNVLFYULGLW-UHFFFAOYSA-N 1 0 423.473 2.010 20 0 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C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)C[C@@H](O)c3cccc(F)c3)CC2)CC1 ZINC000772611437 1079977156 /nfs/dbraw/zinc/97/71/56/1079977156.db2.gz HWBOQCQFCAJQKW-OAQYLSRUSA-N 1 0 419.541 2.431 20 0 HEADRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000772618100 1079981221 /nfs/dbraw/zinc/98/12/21/1079981221.db2.gz OREWZSPBIXTPJC-UYAOXDASSA-N 1 0 412.538 2.187 20 0 HEADRO CC[C@]1(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C ZINC000772633148 1079991484 /nfs/dbraw/zinc/99/14/84/1079991484.db2.gz PTALGESZMSAVPX-VGOFRKELSA-N 1 0 422.570 2.107 20 0 HEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000772636222 1079994738 /nfs/dbraw/zinc/99/47/38/1079994738.db2.gz FHOUOVHAVRWXHM-LRDDRELGSA-N 1 0 402.322 2.121 20 0 HEADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000772645220 1080009878 /nfs/dbraw/zinc/00/98/78/1080009878.db2.gz OZKPXZPXAMWVFJ-KRWDZBQOSA-N 1 0 414.333 2.184 20 0 HEADRO 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CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC2 ZINC000785562056 1080077845 /nfs/dbraw/zinc/07/78/45/1080077845.db2.gz CXGMUMKCKWJIDH-OAHLLOKOSA-N 1 0 407.559 2.477 20 0 HEADRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)cc1 ZINC000785566497 1080080769 /nfs/dbraw/zinc/08/07/69/1080080769.db2.gz OXTHZHQFTCLZRF-UHFFFAOYSA-N 1 0 420.517 2.042 20 0 HEADRO CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000767773137 1080080784 /nfs/dbraw/zinc/08/07/84/1080080784.db2.gz BDMBMFGUJLZSDQ-SVMVAKDDSA-N 1 0 403.523 2.406 20 0 HEADRO CN(CCOC(C)(C)C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000767775539 1080082511 /nfs/dbraw/zinc/08/25/11/1080082511.db2.gz NHQTTWXPSVXYHO-JOCHJYFZSA-N 1 0 402.539 2.277 20 0 HEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000785573930 1080083106 /nfs/dbraw/zinc/08/31/06/1080083106.db2.gz MABRMHRFWLYBSA-UHFFFAOYSA-N 1 0 420.517 2.042 20 0 HEADRO O=C(CCN1CC[NH+](CCCCO)CC1)Nc1ccc(Br)cc1F ZINC000746487800 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ACYGVHKYCPPTDE-HUUCEWRRSA-N 1 0 408.445 2.332 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)N(C)[C@@H](C)c2ccccc2)CC1=O ZINC000785650691 1080101557 /nfs/dbraw/zinc/10/15/57/1080101557.db2.gz RJZCBNXVRRQWMS-YSIASYRMSA-N 1 0 415.534 2.082 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccccc2C)CC1=O ZINC000785654461 1080112872 /nfs/dbraw/zinc/11/28/72/1080112872.db2.gz QGVKKBDUMFSVCA-FGTMMUONSA-N 1 0 401.507 2.198 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)Nc2ccccc2C)CC1=O ZINC000785654464 1080113257 /nfs/dbraw/zinc/11/32/57/1080113257.db2.gz QGVKKBDUMFSVCA-KZNAEPCWSA-N 1 0 401.507 2.198 20 0 HEADRO COc1cc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc(OC)c1OCC(N)=O ZINC000785616911 1080117115 /nfs/dbraw/zinc/11/71/15/1080117115.db2.gz WOOCELYQWGXHHB-OAHLLOKOSA-N 1 0 412.845 2.184 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170048638 1080121070 /nfs/dbraw/zinc/12/10/70/1080121070.db2.gz 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CC(C)[C@@H](OC(=O)c1cccc(C[NH+]2CCCC2)c1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000785710829 1080219809 /nfs/dbraw/zinc/21/98/09/1080219809.db2.gz ZJKANIDWOAZGNY-VQTJNVASSA-N 1 0 415.534 2.188 20 0 HEADRO CN(Cc1ccco1)C(=O)COC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785712163 1080220227 /nfs/dbraw/zinc/22/02/27/1080220227.db2.gz QPVYMSUPQZFSQD-UHFFFAOYSA-N 1 0 400.475 2.299 20 0 HEADRO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000767928184 1080227435 /nfs/dbraw/zinc/22/74/35/1080227435.db2.gz XYQOXPANOVYVQH-SFHVURJKSA-N 1 0 406.527 2.092 20 0 HEADRO CC[N@H+](CCn1cccn1)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170049868 1080231521 /nfs/dbraw/zinc/23/15/21/1080231521.db2.gz GEKWEFSJMSZYTE-IRXDYDNUSA-N 1 0 423.583 2.116 20 0 HEADRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000767939803 1080234481 /nfs/dbraw/zinc/23/44/81/1080234481.db2.gz RSXPQZNBLNVNEL-CWFSZBLJSA-N 1 0 416.522 2.381 20 0 HEADRO 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ZINC000785860930 1080286493 /nfs/dbraw/zinc/28/64/93/1080286493.db2.gz ZILMHVWKHDOJCX-VWLOTQADSA-N 1 0 407.558 2.360 20 0 HEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000785871505 1080291314 /nfs/dbraw/zinc/29/13/14/1080291314.db2.gz JMHZHXMIFJKQBG-BHIFYINESA-N 1 0 422.529 2.399 20 0 HEADRO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000768061591 1080299361 /nfs/dbraw/zinc/29/93/61/1080299361.db2.gz JPECZHIIJCZFSZ-LJQANCHMSA-N 1 0 418.538 2.188 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000746566322 1080301288 /nfs/dbraw/zinc/30/12/88/1080301288.db2.gz DKMQGHBMKYJJHX-OAHLLOKOSA-N 1 0 404.479 2.256 20 0 HEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)C1 ZINC000768044604 1080309513 /nfs/dbraw/zinc/30/95/13/1080309513.db2.gz RTBIXXGGCZLWBR-AWEZNQCLSA-N 1 0 406.502 2.093 20 0 HEADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2)n1)[NH+](C)C ZINC000786026215 1080340656 /nfs/dbraw/zinc/34/06/56/1080340656.db2.gz SQOVMXPNKCWVKZ-OXQOHEQNSA-N 1 0 406.490 2.322 20 0 HEADRO C[C@@H]1CC(NC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)C[C@@H](C)O1 ZINC000768127575 1080361290 /nfs/dbraw/zinc/36/12/90/1080361290.db2.gz SNVISXHXKKLSKK-HZPDHXFCSA-N 1 0 402.539 2.228 20 0 HEADRO CN(C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000786005233 1080368177 /nfs/dbraw/zinc/36/81/77/1080368177.db2.gz VORFBJYEAXELLF-IYARVYRRSA-N 1 0 420.529 2.057 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CCOc3c(F)cccc32)CC1 ZINC000786008587 1080370525 /nfs/dbraw/zinc/37/05/25/1080370525.db2.gz JOSGIYSBQNHGLW-KRWDZBQOSA-N 1 0 412.465 2.156 20 0 HEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)CC1 ZINC000786039133 1080382776 /nfs/dbraw/zinc/38/27/76/1080382776.db2.gz QTONFLMMQRPATI-GQIGUUNPSA-N 1 0 420.504 2.475 20 0 HEADRO CC[NH+](CC)CCN(C(=S)N[C@H](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000786058636 1080386865 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405.539 2.113 20 0 HEADRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768224914 1080429189 /nfs/dbraw/zinc/42/91/89/1080429189.db2.gz UWESXQPCAUTYJZ-UYAOXDASSA-N 1 0 405.539 2.113 20 0 HEADRO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000768225045 1080430121 /nfs/dbraw/zinc/43/01/21/1080430121.db2.gz BYIRSUHDFSHBGW-GJZGRUSLSA-N 1 0 418.513 2.235 20 0 HEADRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH2+]C(C)(C)C2CCOCC2)cc1 ZINC000786156016 1080430978 /nfs/dbraw/zinc/43/09/78/1080430978.db2.gz GCYVSWXVXYQUSY-UHFFFAOYSA-N 1 0 411.568 2.450 20 0 HEADRO C[C@H]1[C@@H](C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786166715 1080432026 /nfs/dbraw/zinc/43/20/26/1080432026.db2.gz HFNVBKIFPZUVMC-HKUYNNGSSA-N 1 0 408.587 2.118 20 0 HEADRO C[C@@H]1[C@H](C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786166723 1080432903 /nfs/dbraw/zinc/43/29/03/1080432903.db2.gz HFNVBKIFPZUVMC-IEBWSBKVSA-N 1 0 408.587 2.118 20 0 HEADRO C[C@@H]1[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCN1C(=O)OC(C)(C)C ZINC000786161007 1080434366 /nfs/dbraw/zinc/43/43/66/1080434366.db2.gz HGSWKWOQLPQOFB-SJLPKXTDSA-N 1 0 417.554 2.095 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000786163557 1080435200 /nfs/dbraw/zinc/43/52/00/1080435200.db2.gz PWYVMYKGOOBACR-IRXDYDNUSA-N 1 0 411.955 2.206 20 0 HEADRO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768250874 1080439590 /nfs/dbraw/zinc/43/95/90/1080439590.db2.gz CSSWYIZLEINEAW-WMQCIHAUSA-N 1 0 406.523 2.180 20 0 HEADRO COC(=O)c1c(F)ccc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)c1F ZINC000786126599 1080444246 /nfs/dbraw/zinc/44/42/46/1080444246.db2.gz QLEGDYGIHZNLRH-UHFFFAOYSA-N 1 0 412.458 2.334 20 0 HEADRO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786171743 1080478330 /nfs/dbraw/zinc/47/83/30/1080478330.db2.gz PLUQRIMIVJBPQK-LJQANCHMSA-N 1 0 401.507 2.163 20 0 HEADRO C[C@H]1[C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786174069 1080479928 /nfs/dbraw/zinc/47/99/28/1080479928.db2.gz PBXDXTMWWZTPJP-WMZOPIPTSA-N 1 0 417.554 2.095 20 0 HEADRO COc1cc(OC)cc([C@H](O)CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000786250015 1080488215 /nfs/dbraw/zinc/48/82/15/1080488215.db2.gz CRNSSPCBDOHYAV-OAQYLSRUSA-N 1 0 401.507 2.341 20 0 HEADRO COc1cc(OC)cc([C@@H](O)CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000786250014 1080488238 /nfs/dbraw/zinc/48/82/38/1080488238.db2.gz CRNSSPCBDOHYAV-NRFANRHFSA-N 1 0 401.507 2.341 20 0 HEADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(=O)NCCO)CC3)c2)cc1 ZINC000768315234 1080503453 /nfs/dbraw/zinc/50/34/53/1080503453.db2.gz BMGTUGAKDNUMTL-UHFFFAOYSA-N 1 0 411.502 2.268 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(CCC(=O)OC)c2)CC1=O ZINC000786218466 1080504241 /nfs/dbraw/zinc/50/42/41/1080504241.db2.gz HBCSPMOSXRMHPJ-PKOBYXMFSA-N 1 0 401.507 2.064 20 0 HEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000786225795 1080507060 /nfs/dbraw/zinc/50/70/60/1080507060.db2.gz DIKWQKASMJUSIJ-UHFFFAOYSA-N 1 0 409.939 2.282 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@]3(C)CCO[C@H]3C3CC3)cc2)CC1 ZINC000768358570 1080511306 /nfs/dbraw/zinc/51/13/06/1080511306.db2.gz ALLLUANLHHKDFK-REWPJTCUSA-N 1 0 414.550 2.088 20 0 HEADRO CC(C)c1ccnc(N2CCN(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)n1 ZINC000768360900 1080511663 /nfs/dbraw/zinc/51/16/63/1080511663.db2.gz JCVUGBQQYAWBJY-IBGZPJMESA-N 1 0 416.570 2.075 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000768398286 1080524289 /nfs/dbraw/zinc/52/42/89/1080524289.db2.gz MQFDSXARYRXJBD-IEBWSBKVSA-N 1 0 420.554 2.178 20 0 HEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000768401236 1080525718 /nfs/dbraw/zinc/52/57/18/1080525718.db2.gz JZTMHJLCRJEWBV-UHFFFAOYSA-N 1 0 420.517 2.093 20 0 HEADRO CC(C)(C)OC(=O)NCCN(CCO)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000768390268 1080538675 /nfs/dbraw/zinc/53/86/75/1080538675.db2.gz HZTTYGDXSCEGQL-UHFFFAOYSA-N 1 0 412.575 2.312 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000786325657 1080562866 /nfs/dbraw/zinc/56/28/66/1080562866.db2.gz NCVVARFMNJIFAJ-UHFFFAOYSA-N 1 0 414.550 2.056 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000786330021 1080564647 /nfs/dbraw/zinc/56/46/47/1080564647.db2.gz AUCUFKYTQWCONQ-MSOLQXFVSA-N 1 0 407.580 2.399 20 0 HEADRO Cc1ccc(N2CCN(C(=O)C(=O)NC3CC[NH+](CC(C)C)CC3)CC2)cc1C ZINC000786334921 1080566632 /nfs/dbraw/zinc/56/66/32/1080566632.db2.gz RCBKKGGNUUPNSS-UHFFFAOYSA-N 1 0 400.567 2.189 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000786335335 1080567359 /nfs/dbraw/zinc/56/73/59/1080567359.db2.gz VATGHJNSCFCIHV-OAQYLSRUSA-N 1 0 419.541 2.334 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000786393831 1080584272 /nfs/dbraw/zinc/58/42/72/1080584272.db2.gz NXNNBRYRLAQBNI-UHFFFAOYSA-N 1 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CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000768534061 1080614145 /nfs/dbraw/zinc/61/41/45/1080614145.db2.gz ZGWXVKQJLMSYSO-UHFFFAOYSA-N 1 0 404.467 2.124 20 0 HEADRO CCC[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768553968 1080625745 /nfs/dbraw/zinc/62/57/45/1080625745.db2.gz TYTAFGAPPDOMRT-UHFFFAOYSA-N 1 0 424.586 2.225 20 0 HEADRO CCOC(=O)C1(C(=O)O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000768576515 1080642741 /nfs/dbraw/zinc/64/27/41/1080642741.db2.gz JEGLKLZJUKDCJW-QGZVFWFLSA-N 1 0 416.518 2.432 20 0 HEADRO O=C(C[C@H](c1ccccc1)N1CCOC1=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000768579428 1080644499 /nfs/dbraw/zinc/64/44/99/1080644499.db2.gz JFTHQJXLJFPJJC-NJYVYQBISA-N 1 0 415.534 2.454 20 0 HEADRO COCC[N@@H+]1CCCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000746593063 1080707851 /nfs/dbraw/zinc/70/78/51/1080707851.db2.gz ADCJAATUMPESIL-UHFFFAOYSA-N 1 0 409.943 2.068 20 0 HEADRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000768675026 1080710584 /nfs/dbraw/zinc/71/05/84/1080710584.db2.gz VXUCMRQCEIQTSA-KFKAGJAMSA-N 1 0 421.538 2.219 20 0 HEADRO Cc1ccc(Br)nc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000786623735 1080717307 /nfs/dbraw/zinc/71/73/07/1080717307.db2.gz MGFXDRPLFGUGJX-UHFFFAOYSA-N 1 0 419.323 2.374 20 0 HEADRO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1)[NH+]1CCCCCC1 ZINC000786624438 1080718389 /nfs/dbraw/zinc/71/83/89/1080718389.db2.gz DVWYZKMZBPEWGD-RBUKOAKNSA-N 1 0 409.571 2.195 20 0 HEADRO O=C(NC[C@H](O)c1ccccc1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768707629 1080724508 /nfs/dbraw/zinc/72/45/08/1080724508.db2.gz BUPXCZVYYWDCOW-NRFANRHFSA-N 1 0 411.502 2.340 20 0 HEADRO COc1ccc(OC)c(CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000786651088 1080734310 /nfs/dbraw/zinc/73/43/10/1080734310.db2.gz ZNTGVLLMTCXFQV-UHFFFAOYSA-N 1 0 417.550 2.481 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C)CC(C)C 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/nfs/dbraw/zinc/80/36/79/1080803679.db2.gz IQLQBJHINVHDFD-HNNXBMFYSA-N 1 0 409.490 2.285 20 0 HEADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000746603512 1080822215 /nfs/dbraw/zinc/82/22/15/1080822215.db2.gz PJNKNTVORHIADB-UHFFFAOYSA-N 1 0 423.355 2.298 20 0 HEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786834677 1080829401 /nfs/dbraw/zinc/82/94/01/1080829401.db2.gz BRDXXACZLJYJJL-GFCCVEGCSA-N 1 0 420.457 2.181 20 0 HEADRO O=C(COC(=O)CC[N@@H+]1CCc2ccccc2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000786818294 1080842486 /nfs/dbraw/zinc/84/24/86/1080842486.db2.gz RPSMKHVEEHZACX-UHFFFAOYSA-N 1 0 423.513 2.453 20 0 HEADRO CN(C)C(=O)c1ccc(NC(=O)COC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000786825480 1080846326 /nfs/dbraw/zinc/84/63/26/1080846326.db2.gz LSAHHTUWHZWLEJ-UHFFFAOYSA-N 1 0 409.486 2.319 20 0 HEADRO O=C(COc1ccc2ccc(=O)oc2c1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000768919472 1080856919 /nfs/dbraw/zinc/85/69/19/1080856919.db2.gz RQNXVABFLMIUBU-CTNGQTDRSA-N 1 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CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)c3ccncc3)cc2)CC1 ZINC000768989842 1080877683 /nfs/dbraw/zinc/87/76/83/1080877683.db2.gz CBDDIQPBPFAQLT-UHFFFAOYSA-N 1 0 409.534 2.256 20 0 HEADRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)c3ccc(N4CCNC4=O)cc3)C2)nc1 ZINC000786907042 1080878137 /nfs/dbraw/zinc/87/81/37/1080878137.db2.gz GPNSXGBCYXSYAE-HNNXBMFYSA-N 1 0 409.490 2.327 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000768958678 1080883028 /nfs/dbraw/zinc/88/30/28/1080883028.db2.gz YEAZLJRERDFEKQ-TZMCWYRMSA-N 1 0 424.286 2.495 20 0 HEADRO C[C@H](OC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000786880406 1080884077 /nfs/dbraw/zinc/88/40/77/1080884077.db2.gz PTUHNJLZUZOGLV-CGTJXYLNSA-N 1 0 402.491 2.281 20 0 HEADRO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000786880566 1080884106 /nfs/dbraw/zinc/88/41/06/1080884106.db2.gz KXNOIHLTOAXQBN-HXUWFJFHSA-N 1 0 401.507 2.412 20 0 HEADRO COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 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RUSRPZPCQVGIFU-XFKSJGNHSA-N 1 0 411.493 2.454 20 0 HEADRO CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000769157920 1080975327 /nfs/dbraw/zinc/97/53/27/1080975327.db2.gz XNLIPVHIVLOMRV-FHWLQOOXSA-N 1 0 424.586 2.453 20 0 HEADRO CC(C)(C)OC(=O)NCC1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000769157504 1080975898 /nfs/dbraw/zinc/97/58/98/1080975898.db2.gz VVJXGDUASIKQEG-RBUKOAKNSA-N 1 0 424.586 2.311 20 0 HEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000769157525 1080975906 /nfs/dbraw/zinc/97/59/06/1080975906.db2.gz WMOQIOTZNBYOIA-GUDVDZBRSA-N 1 0 424.586 2.405 20 0 HEADRO CCO[C@H]1C[C@H]([NH2+]CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C12CCCCC2 ZINC001170002474 1081000394 /nfs/dbraw/zinc/00/03/94/1081000394.db2.gz MVTXGGALLDUEHK-OALUTQOASA-N 1 0 408.564 2.424 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000787110474 1081004206 /nfs/dbraw/zinc/00/42/06/1081004206.db2.gz VBVNUFKZLIOXPM-RTWAWAEBSA-N 1 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CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787122503 1081009866 /nfs/dbraw/zinc/00/98/66/1081009866.db2.gz INAYUELNTJEVMB-IEBWSBKVSA-N 1 0 417.550 2.411 20 0 HEADRO CC(C)C1CCC2(CC1)NC(=O)N(CN1CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]31)C2=O ZINC000746638302 1081012226 /nfs/dbraw/zinc/01/22/26/1081012226.db2.gz OGHOFEKYPQQKGS-DZUNHNSSSA-N 1 0 406.571 2.264 20 0 HEADRO CC(C)CN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787099603 1081012305 /nfs/dbraw/zinc/01/23/05/1081012305.db2.gz AVFANRZJNRROGG-JOCHJYFZSA-N 1 0 415.578 2.473 20 0 HEADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000769240979 1081012921 /nfs/dbraw/zinc/01/29/21/1081012921.db2.gz OMERLCJIHNHCCD-GOSISDBHSA-N 1 0 421.567 2.206 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000787104978 1081016483 /nfs/dbraw/zinc/01/64/83/1081016483.db2.gz HAFXCUWXLYNOJW-OAQYLSRUSA-N 1 0 421.582 2.086 20 0 HEADRO 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ZINC001165018908 721816187 /nfs/dbraw/zinc/81/61/87/721816187.db2.gz AWBZETVGQIIFFZ-CWRNSKLLSA-N 1 0 400.914 2.361 20 0 HEADRO CNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165025663 721823643 /nfs/dbraw/zinc/82/36/43/721823643.db2.gz NIXNAYWPEDDFPW-PWIZWCRZSA-N 1 0 415.563 2.122 20 0 HEADRO COC(=O)c1ncnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001165021390 721831896 /nfs/dbraw/zinc/83/18/96/721831896.db2.gz FFWBYLAKQATVPC-JQHSSLGASA-N 1 0 411.506 2.404 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001164925335 721852583 /nfs/dbraw/zinc/85/25/83/721852583.db2.gz DYNPNBXLOPKBQD-XZOQPEGZSA-N 1 0 406.578 2.250 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)cc(N2CCCC2)n1 ZINC001164929015 721853215 /nfs/dbraw/zinc/85/32/15/721853215.db2.gz PWQLPELROANMDX-CABCVRRESA-N 1 0 414.932 2.490 20 0 HEADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)nc1Cl ZINC001164928826 721855221 /nfs/dbraw/zinc/85/52/21/721855221.db2.gz OPCVTACIKMJRGG-ZIAGYGMSSA-N 1 0 402.873 2.281 20 0 HEADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164931312 721861260 /nfs/dbraw/zinc/86/12/60/721861260.db2.gz UTGKHUZIKWGSDY-ZIAGYGMSSA-N 1 0 402.873 2.281 20 0 HEADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164934798 721877902 /nfs/dbraw/zinc/87/79/02/721877902.db2.gz UHUWOAUJQAFOLS-GJZGRUSLSA-N 1 0 402.873 2.281 20 0 HEADRO Cc1cc2nc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc(N3CCOCC3)c2s1 ZINC001165038200 721913218 /nfs/dbraw/zinc/91/32/18/721913218.db2.gz LIZFCMRRARYONX-MRXNPFEDSA-N 1 0 403.552 2.137 20 0 HEADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)cnc4C(N)=O)CC3)C2)cc1 ZINC001164940408 721924686 /nfs/dbraw/zinc/92/46/86/721924686.db2.gz PTNPUKUVONHMAU-UHFFFAOYSA-N 1 0 415.925 2.409 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCN(S(=O)(=O)N(C)C)C[C@H]3C2)nc1 ZINC001164951936 721989956 /nfs/dbraw/zinc/98/99/56/721989956.db2.gz NOTLNSBWOLBKKT-XUVXKRRUSA-N 1 0 421.611 2.193 20 0 HEADRO C[N@H+](Cc1ccc(N2C[C@H](NC(=O)c3cscn3)[C@@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164953828 722001745 /nfs/dbraw/zinc/00/17/45/722001745.db2.gz ZWZFNUPQZXBNOV-HQRMLTQVSA-N 1 0 413.547 2.299 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@H]43)n2)CC1 ZINC001164959328 722029245 /nfs/dbraw/zinc/02/92/45/722029245.db2.gz QYYSNPFUWXZBFL-OPYAIIAOSA-N 1 0 413.497 2.183 20 0 HEADRO CN1CCc2nc(Cl)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)c2C1 ZINC001164961178 722051140 /nfs/dbraw/zinc/05/11/40/722051140.db2.gz UHGBDTYHNHGOEI-YJLNNSPDSA-N 1 0 414.941 2.418 20 0 HEADRO CN(C)C(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164963944 722054713 /nfs/dbraw/zinc/05/47/13/722054713.db2.gz PVTMUBGYACVQFF-UHFFFAOYSA-N 1 0 409.534 2.297 20 0 HEADRO CCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964076 722057705 /nfs/dbraw/zinc/05/77/05/722057705.db2.gz RGGJEVGRGGEUKD-UHFFFAOYSA-N 1 0 409.534 2.345 20 0 HEADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966764 722073024 /nfs/dbraw/zinc/07/30/24/722073024.db2.gz BJVQPNTVNVCPFS-TXEJJXNPSA-N 1 0 401.294 2.260 20 0 HEADRO c1cc(-c2cnc(N3CCCCC3)nc2)nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967427 722073121 /nfs/dbraw/zinc/07/31/21/722073121.db2.gz PTIZBOHWOHHVQG-BGYRXZFFSA-N 1 0 421.549 2.223 20 0 HEADRO CC(C)C(=O)N1CCN(c2ccc(C[N@H+](C)C3CC3)cn2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164971940 722088598 /nfs/dbraw/zinc/08/85/98/722088598.db2.gz JUBIKRMWSWAFLY-QHCPKHFHSA-N 1 0 413.566 2.019 20 0 HEADRO CCOC(=O)Cc1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985289 722104821 /nfs/dbraw/zinc/10/48/21/722104821.db2.gz WEVGMSOPVAFJHE-NHCUHLMSSA-N 1 0 410.518 2.310 20 0 HEADRO CCOC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164977418 722113559 /nfs/dbraw/zinc/11/35/59/722113559.db2.gz NBMHPQIVXORYRW-QUCCMNQESA-N 1 0 411.506 2.084 20 0 HEADRO CCOC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164977413 722114119 /nfs/dbraw/zinc/11/41/19/722114119.db2.gz NBMHPQIVXORYRW-ICSRJNTNSA-N 1 0 411.506 2.084 20 0 HEADRO COc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(SC)n1 ZINC001164981160 722117468 /nfs/dbraw/zinc/11/74/68/722117468.db2.gz TZFRMHGSINKZMG-IAGOWNOFSA-N 1 0 401.536 2.329 20 0 HEADRO C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164975606 722120888 /nfs/dbraw/zinc/12/08/88/722120888.db2.gz JZASBJGFCDKGLM-NJAFHUGGSA-N 1 0 408.506 2.045 20 0 HEADRO COC(=O)c1cc2c[nH]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc-2n1 ZINC001164980277 722134889 /nfs/dbraw/zinc/13/48/89/722134889.db2.gz MKPOZQCXGRTHOB-LAUBAEHRSA-N 1 0 421.501 2.472 20 0 HEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N(C)C)[nH+]c(C)n4)CC[C@@H]32)cs1 ZINC001164991609 722175986 /nfs/dbraw/zinc/17/59/86/722175986.db2.gz YLHKJKCSONQZPT-ZWKOTPCHSA-N 1 0 402.568 2.486 20 0 HEADRO CCN(CC)c1ccnc([C@@H]2COCCN2c2cccc(N3CC[NH+](C)CC3)n2)n1 ZINC001164999184 722226776 /nfs/dbraw/zinc/22/67/76/722226776.db2.gz JOUANVDKFLGUBZ-SFHVURJKSA-N 1 0 411.554 2.048 20 0 HEADRO CCN(CC)c1ccnc([C@H]2COCCN2c2cccc(N3CC[NH+](C)CC3)n2)n1 ZINC001164999181 722226837 /nfs/dbraw/zinc/22/68/37/722226837.db2.gz JOUANVDKFLGUBZ-GOSISDBHSA-N 1 0 411.554 2.048 20 0 HEADRO CCOC(=O)c1c(C)ccnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002701 722255328 /nfs/dbraw/zinc/25/53/28/722255328.db2.gz SYEJIZURKIZECV-UHFFFAOYSA-N 1 0 401.511 2.252 20 0 HEADRO CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000769650033 1078485031 /nfs/dbraw/zinc/48/50/31/1078485031.db2.gz CHZVRQWKGVADCZ-RCCFBDPRSA-N 1 0 410.559 2.063 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000745477740 1078505345 /nfs/dbraw/zinc/50/53/45/1078505345.db2.gz WLPXJLMIQUTZPE-FXAWDEMLSA-N 1 0 406.548 2.033 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000769704115 1078527781 /nfs/dbraw/zinc/52/77/81/1078527781.db2.gz IKTRFKVMNFHYJT-KRWDZBQOSA-N 1 0 424.586 2.130 20 0 HEADRO CCO[C@H](CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C[NH+](C)C ZINC001671065144 1078530519 /nfs/dbraw/zinc/53/05/19/1078530519.db2.gz FNONNRKSTXNRLV-CJNGLKHVSA-N 1 0 417.337 2.365 20 0 HEADRO CCO[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C[NH+](C)C ZINC001671065146 1078530818 /nfs/dbraw/zinc/53/08/18/1078530818.db2.gz FNONNRKSTXNRLV-XJKSGUPXSA-N 1 0 417.337 2.365 20 0 HEADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1nccn2c(Br)cnc12 ZINC000769708527 1078530943 /nfs/dbraw/zinc/53/09/43/1078530943.db2.gz JBMXQKJTDGZENJ-UHFFFAOYSA-N 1 0 415.295 2.281 20 0 HEADRO COc1ccccc1COC1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000769713119 1078532479 /nfs/dbraw/zinc/53/24/79/1078532479.db2.gz VRWAKLRKCMUWAZ-AZUAARDMSA-N 1 0 403.523 2.249 20 0 HEADRO O=C([O-])[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000769751598 1078539592 /nfs/dbraw/zinc/53/95/92/1078539592.db2.gz LQGUFGWXWGAIEH-FQEVSTJZSA-N 1 0 422.529 2.354 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2cccc(-c3cscn3)c2)C1 ZINC000745606604 1078560111 /nfs/dbraw/zinc/56/01/11/1078560111.db2.gz JRNXTGAAUZWOMN-GOSISDBHSA-N 1 0 417.531 2.440 20 0 HEADRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000769820127 1078561183 /nfs/dbraw/zinc/56/11/83/1078561183.db2.gz XWGHJYPHCBRNSG-ZIFCJYIRSA-N 1 0 401.511 2.305 20 0 HEADRO O=C(COC(=O)[C@H]1CCc2c[nH]nc2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000745630270 1078564513 /nfs/dbraw/zinc/56/45/13/1078564513.db2.gz XNXSYAFJIXGAIF-INIZCTEOSA-N 1 0 414.531 2.245 20 0 HEADRO CC(C)(C)OC(=O)NCc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000745631554 1078565796 /nfs/dbraw/zinc/56/57/96/1078565796.db2.gz OIXAGVGSCIITIR-UHFFFAOYSA-N 1 0 421.494 2.204 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000769789825 1078567262 /nfs/dbraw/zinc/56/72/62/1078567262.db2.gz ACCDLQKIRUEOQH-INIZCTEOSA-N 1 0 407.580 2.472 20 0 HEADRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000769912868 1078631817 /nfs/dbraw/zinc/63/18/17/1078631817.db2.gz IVSXFCPZJPXHHE-QFIPXVFZSA-N 1 0 405.514 2.304 20 0 HEADRO CCC[C@]1(CO)CCC[N@@H+]1CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000769914285 1078632595 /nfs/dbraw/zinc/63/25/95/1078632595.db2.gz YIAIICAIMCEWKK-SIKLNZKXSA-N 1 0 401.507 2.485 20 0 HEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000745744827 1078633112 /nfs/dbraw/zinc/63/31/12/1078633112.db2.gz XLORRFRMEOSPNW-FQEVSTJZSA-N 1 0 402.539 2.456 20 0 HEADRO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000769918303 1078634233 /nfs/dbraw/zinc/63/42/33/1078634233.db2.gz BHTFIAGOZLHWAJ-GOSISDBHSA-N 1 0 413.522 2.238 20 0 HEADRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000745781130 1078640240 /nfs/dbraw/zinc/64/02/40/1078640240.db2.gz WSLJEPXEKVMUOL-ZWKOTPCHSA-N 1 0 401.555 2.057 20 0 HEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000745785203 1078642408 /nfs/dbraw/zinc/64/24/08/1078642408.db2.gz PWBHEVDFUUTYRM-SFHVURJKSA-N 1 0 411.591 2.055 20 0 HEADRO CN1CCC([NH+]2CCC(NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000745789463 1078645078 /nfs/dbraw/zinc/64/50/78/1078645078.db2.gz LYBOEHOJGGQDJY-UHFFFAOYSA-N 1 0 411.591 2.148 20 0 HEADRO C[NH+](C)CCCOC1CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769948642 1078648581 /nfs/dbraw/zinc/64/85/81/1078648581.db2.gz FLFYNTREFAHRMX-UHFFFAOYSA-N 1 0 410.316 2.065 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)cc1 ZINC000745796497 1078651068 /nfs/dbraw/zinc/65/10/68/1078651068.db2.gz TZLHJTRPWKOJSV-TZIWHRDSSA-N 1 0 415.582 2.206 20 0 HEADRO C[C@@H]1C[C@@H](N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC[N@@H+]1C ZINC000769960280 1078653067 /nfs/dbraw/zinc/65/30/67/1078653067.db2.gz HRCKHNMNGOVJJZ-VQZRKKFQSA-N 1 0 424.904 2.187 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000769967430 1078657750 /nfs/dbraw/zinc/65/77/50/1078657750.db2.gz BSDCBOQRSAIGTO-RTWAWAEBSA-N 1 0 411.550 2.324 20 0 HEADRO Cc1ccc(N2CC[C@@H](NC(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)C2=O)cc1 ZINC000745824102 1078664916 /nfs/dbraw/zinc/66/49/16/1078664916.db2.gz FUOILUQWUSEJDW-WOJBJXKFSA-N 1 0 400.523 2.043 20 0 HEADRO CN(CCC1CC[NH+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000769939985 1078666046 /nfs/dbraw/zinc/66/60/46/1078666046.db2.gz JHHJALLJXJVZHS-GOSISDBHSA-N 1 0 405.543 2.494 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)CC2)cc1 ZINC000745869116 1078668656 /nfs/dbraw/zinc/66/86/56/1078668656.db2.gz HQFCZYBPJZCBTB-QFIPXVFZSA-N 1 0 417.598 2.474 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)NC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000745858864 1078675883 /nfs/dbraw/zinc/67/58/83/1078675883.db2.gz MWWCUQUNWUDXBS-XUZZJYLKSA-N 1 0 422.529 2.037 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000745861610 1078676358 /nfs/dbraw/zinc/67/63/58/1078676358.db2.gz CTZPPTLPPCHLNY-QAPCUYQASA-N 1 0 416.488 2.312 20 0 HEADRO CN(Cc1cccc(C(N)=O)c1)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769993635 1078677499 /nfs/dbraw/zinc/67/74/99/1078677499.db2.gz NSRKLZZCNRFURI-UHFFFAOYSA-N 1 0 408.502 2.021 20 0 HEADRO C[C@H](CNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000745862734 1078677534 /nfs/dbraw/zinc/67/75/34/1078677534.db2.gz NVQBYAKOEBJQHP-CXAGYDPISA-N 1 0 403.354 2.210 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)CC1 ZINC000745862931 1078678157 /nfs/dbraw/zinc/67/81/57/1078678157.db2.gz QGSSEEXQMRIKKC-UGKGYDQZSA-N 1 0 402.583 2.415 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000745862929 1078678280 /nfs/dbraw/zinc/67/82/80/1078678280.db2.gz QGSSEEXQMRIKKC-SIKLNZKXSA-N 1 0 402.583 2.415 20 0 HEADRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000770015868 1078688029 /nfs/dbraw/zinc/68/80/29/1078688029.db2.gz KILUTTPWPRLUSR-BHIYHBOVSA-N 1 0 403.502 2.317 20 0 HEADRO C[C@](O)(CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1cccs1 ZINC000770017842 1078690151 /nfs/dbraw/zinc/69/01/51/1078690151.db2.gz YMEKNEJQXTZVNH-NRFANRHFSA-N 1 0 401.532 2.349 20 0 HEADRO CCOc1ccccc1N1C(=O)C(=O)N(CN2C[C@@H]([NH+](C)C)Cc3ccccc32)C1=O ZINC000766336841 1078700201 /nfs/dbraw/zinc/70/02/01/1078700201.db2.gz BPTBDSFYSWCKGD-KRWDZBQOSA-N 1 0 422.485 2.331 20 0 HEADRO CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000770047391 1078703401 /nfs/dbraw/zinc/70/34/01/1078703401.db2.gz JDEQDNYCMPXAMI-HNAYVOBHSA-N 1 0 405.520 2.290 20 0 HEADRO CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000770047393 1078703527 /nfs/dbraw/zinc/70/35/27/1078703527.db2.gz JDEQDNYCMPXAMI-KXBFYZLASA-N 1 0 405.520 2.290 20 0 HEADRO 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CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000746422492 1078918666 /nfs/dbraw/zinc/91/86/66/1078918666.db2.gz OGJQLBCJXNESLB-SJLPKXTDSA-N 1 0 405.543 2.188 20 0 HEADRO O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)NCC1CC[NH+](C2CC2)CC1 ZINC000770622694 1078920056 /nfs/dbraw/zinc/92/00/56/1078920056.db2.gz UFAWFUKYIIQSOA-KRWDZBQOSA-N 1 0 409.914 2.318 20 0 HEADRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)C1(C)C ZINC000766378775 1078927441 /nfs/dbraw/zinc/92/74/41/1078927441.db2.gz HSKSIXQTUYZAKW-FDQGKXFDSA-N 1 0 418.581 2.266 20 0 HEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766378226 1078927938 /nfs/dbraw/zinc/92/79/38/1078927938.db2.gz QFHLQAYSKROCQC-VQTJNVASSA-N 1 0 403.523 2.262 20 0 HEADRO CCOc1ccccc1N1C(=O)C(=O)N(CN2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000766380021 1078928367 /nfs/dbraw/zinc/92/83/67/1078928367.db2.gz DACYKYXXVPAZIN-UHFFFAOYSA-N 1 0 416.522 2.392 20 0 HEADRO C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(C)(C)C[NH+](C)C ZINC000770692420 1078960223 /nfs/dbraw/zinc/96/02/23/1078960223.db2.gz KNOGVKNFVRYRMX-VIFPVBQESA-N 1 0 402.991 2.060 20 0 HEADRO COC[C@H](O)CCNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000766401873 1078953702 /nfs/dbraw/zinc/95/37/02/1078953702.db2.gz ALFDEPUCASAUGL-LJQANCHMSA-N 1 0 406.527 2.410 20 0 HEADRO COC[C@@H](O)CCNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000766401871 1078953807 /nfs/dbraw/zinc/95/38/07/1078953807.db2.gz ALFDEPUCASAUGL-IBGZPJMESA-N 1 0 406.527 2.410 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000770689062 1078957609 /nfs/dbraw/zinc/95/76/09/1078957609.db2.gz NCDLBZVXMWLBJZ-LLVKDONJSA-N 1 0 415.002 2.157 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000770687596 1078957747 /nfs/dbraw/zinc/95/77/47/1078957747.db2.gz DZSGVIHBPRFXHJ-NSHDSACASA-N 1 0 415.002 2.157 20 0 HEADRO O=C(C[N@@H+]1CCCC2(CC2)C1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000770701067 1078968928 /nfs/dbraw/zinc/96/89/28/1078968928.db2.gz RCGBGHUVEPXJQR-APSNUPSMSA-N 1 0 403.548 2.007 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CCCOC1 ZINC000770700817 1078969405 /nfs/dbraw/zinc/96/94/05/1078969405.db2.gz PXPZZPMRYWHOBG-IBGZPJMESA-N 1 0 412.870 2.142 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CCCOC1 ZINC000770701733 1078970111 /nfs/dbraw/zinc/97/01/11/1078970111.db2.gz SGOPGGBXQGUMOK-QGZVFWFLSA-N 1 0 414.384 2.222 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)CCCOC1 ZINC000770703209 1078970822 /nfs/dbraw/zinc/97/08/22/1078970822.db2.gz XKQYBGABSRQTDP-GOSISDBHSA-N 1 0 403.306 2.354 20 0 HEADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C[C@H]1C ZINC000766424023 1078974385 /nfs/dbraw/zinc/97/43/85/1078974385.db2.gz PRHOJDHRFURMTP-OLZOCXBDSA-N 1 0 422.473 2.474 20 0 HEADRO O=C1CNC(=O)N1CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC000770706764 1078975715 /nfs/dbraw/zinc/97/57/15/1078975715.db2.gz ASSAOGDUBDVFQI-GOSISDBHSA-N 1 0 419.428 2.375 20 0 HEADRO O=C1CNC(=O)N1CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC000770706767 1078975794 /nfs/dbraw/zinc/97/57/94/1078975794.db2.gz ASSAOGDUBDVFQI-SFHVURJKSA-N 1 0 419.428 2.375 20 0 HEADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(C)c2C2CC2)[NH+]2CCCC2)cc1 ZINC000770708319 1078976306 /nfs/dbraw/zinc/97/63/06/1078976306.db2.gz WUSVFAXJBNHQDH-IBGZPJMESA-N 1 0 411.506 2.198 20 0 HEADRO O=C(Nc1c(F)cccc1-n1cccn1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000746451887 1078977256 /nfs/dbraw/zinc/97/72/56/1078977256.db2.gz JEOZYVVFYGANKR-MAUKXSAKSA-N 1 0 411.481 2.425 20 0 HEADRO O=C(N[C@@]1(C(=O)NCC2CC[NH+](C3CC3)CC2)CCOC1)OCc1ccccc1 ZINC000770767111 1078986735 /nfs/dbraw/zinc/98/67/35/1078986735.db2.gz PZGSCBCKFJWVPQ-QFIPXVFZSA-N 1 0 401.507 2.063 20 0 HEADRO COC(=O)Cn1cc(CC[NH+]2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)nn1 ZINC000746449970 1078991306 /nfs/dbraw/zinc/99/13/06/1078991306.db2.gz NUVUYVLOTOFZAX-SFHVURJKSA-N 1 0 421.542 2.105 20 0 HEADRO C[C@@H]1CC[C@H]([NH2+]CCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C[C@H]1C ZINC000766445766 1078993564 /nfs/dbraw/zinc/99/35/64/1078993564.db2.gz LTWUDUFSMAEYDY-OAGGEKHMSA-N 1 0 418.581 2.205 20 0 HEADRO Cn1ncc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C1CC1 ZINC000770740891 1078999368 /nfs/dbraw/zinc/99/93/68/1078999368.db2.gz BEOKPVDEXRDDDC-KDOFPFPSSA-N 1 0 401.536 2.497 20 0 HEADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804278309 1079000125 /nfs/dbraw/zinc/00/01/25/1079000125.db2.gz UAVKTLKMXYPFDV-SFHVURJKSA-N 1 0 400.910 2.332 20 0 HEADRO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000804280157 1079000165 /nfs/dbraw/zinc/00/01/65/1079000165.db2.gz WYTIRZKXFKVJDG-FQEVSTJZSA-N 1 0 409.530 2.169 20 0 HEADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000746454374 1079005042 /nfs/dbraw/zinc/00/50/42/1079005042.db2.gz OZXAGWJPNZATQD-PMACEKPBSA-N 1 0 423.448 2.460 20 0 HEADRO CCCCN(C)c1ccc(NC(=O)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000770800455 1079022684 /nfs/dbraw/zinc/02/26/84/1079022684.db2.gz JOCYCSVDNHQBNY-GOSISDBHSA-N 1 0 403.571 2.004 20 0 HEADRO NC(=O)c1c(NC(=O)CC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)sc2c1CCCC2 ZINC000746464794 1079023258 /nfs/dbraw/zinc/02/32/58/1079023258.db2.gz ZGDPNHGTJWFBCG-INIZCTEOSA-N 1 0 405.442 2.054 20 0 HEADRO O=S(=O)(c1ccc(OCC[NH2+]Cc2cnc3cnccn23)cc1)C(F)(F)F ZINC000766490031 1079029077 /nfs/dbraw/zinc/02/90/77/1079029077.db2.gz YJXXEEYQKMBWAW-UHFFFAOYSA-N 1 0 400.382 2.191 20 0 HEADRO COCOc1ccc(OC)cc1C[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000766485718 1079036190 /nfs/dbraw/zinc/03/61/90/1079036190.db2.gz FIMGEYAZLKJELK-UHFFFAOYSA-N 1 0 400.522 2.150 20 0 HEADRO CCOC(=O)[C@@H]1N=CO[C@H]1c1c(Cl)cc(Cl)nc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168816083 1079037085 /nfs/dbraw/zinc/03/70/85/1079037085.db2.gz MSNLNWSPUIVVQI-JQAFLVLXSA-N 1 0 424.288 2.421 20 0 HEADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000770849229 1079037507 /nfs/dbraw/zinc/03/75/07/1079037507.db2.gz HFDLEUPJRONOHS-JTHBVZDNSA-N 1 0 411.546 2.190 20 0 HEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1 ZINC001168799915 1079040219 /nfs/dbraw/zinc/04/02/19/1079040219.db2.gz ZQZOXZMUVBDVQS-JOCHJYFZSA-N 1 0 414.506 2.074 20 0 HEADRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000746482395 1079041302 /nfs/dbraw/zinc/04/13/02/1079041302.db2.gz PDYMLJNUYKJPDG-QGZVFWFLSA-N 1 0 400.466 2.299 20 0 HEADRO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)C2 ZINC001168807227 1079043328 /nfs/dbraw/zinc/04/33/28/1079043328.db2.gz NORYETCNXAETPA-JQHSSLGASA-N 1 0 405.539 2.340 20 0 HEADRO C[C@@H]1C[C@@H](n2nc(C(=O)N3CCCC3)c3c2C[NH2+]CC3)CN1C(=O)OC(C)(C)C ZINC001168858813 1079055242 /nfs/dbraw/zinc/05/52/42/1079055242.db2.gz RHYSJKMCTVLSRY-HUUCEWRRSA-N 1 0 403.527 2.335 20 0 HEADRO C[C@@H]1C[C@H]([NH2+][C@@H](CCC(=O)OCc2ccccc2)C(N)=O)CN1C(=O)OC(C)(C)C ZINC001168836667 1079049549 /nfs/dbraw/zinc/04/95/49/1079049549.db2.gz YTMZRIQIKMQXSL-NJAFHUGGSA-N 1 0 419.522 2.351 20 0 HEADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC3(CCCC3)C2)c1 ZINC000804293896 1079055573 /nfs/dbraw/zinc/05/55/73/1079055573.db2.gz PHBQIRILZNCQRG-UHFFFAOYSA-N 1 0 417.550 2.053 20 0 HEADRO 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 ZINC001168854576 1079053593 /nfs/dbraw/zinc/05/35/93/1079053593.db2.gz HKOHFDUZWYWWPM-NLNMYJFZSA-N 1 0 407.555 2.390 20 0 HEADRO COc1cc([C@H](C)[NH2+]CCN2CCC(OC)CC2)ccc1S(=O)(=O)C(F)F ZINC000766514038 1079053607 /nfs/dbraw/zinc/05/36/07/1079053607.db2.gz DEYZINITFNQLHX-ZDUSSCGKSA-N 1 0 406.495 2.453 20 0 HEADRO C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168857898 1079054337 /nfs/dbraw/zinc/05/43/37/1079054337.db2.gz OHCHTDGDAOJWKM-JBYIUTFZSA-N 1 0 417.554 2.403 20 0 HEADRO C[C@@H]1C[C@@H](N(C[C@@H]2OC[C@@H]3C[NH2+]CC[C@H]23)c2ncccn2)CN1C(=O)OC(C)(C)C ZINC001168858740 1079054773 /nfs/dbraw/zinc/05/47/73/1079054773.db2.gz QSCNSTARRBESEV-LFDJNIOPSA-N 1 0 417.554 2.305 20 0 HEADRO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168858040 1079054909 /nfs/dbraw/zinc/05/49/09/1079054909.db2.gz PDNSLZAVUCDCJD-BVBHFADKSA-N 1 0 400.523 2.370 20 0 HEADRO 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 ZINC001168861780 1079056488 /nfs/dbraw/zinc/05/64/88/1079056488.db2.gz ZXDPAPBMOGJFGB-NNIGNNQHSA-N 1 0 409.571 2.493 20 0 HEADRO C[C@H]1C[C@H]([N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)CN1C(=O)OC(C)(C)C ZINC001168869812 1079059358 /nfs/dbraw/zinc/05/93/58/1079059358.db2.gz XWJNSVMERCNYQY-GRXQJBFDSA-N 1 0 410.559 2.279 20 0 HEADRO 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 ZINC001168850000 1079061621 /nfs/dbraw/zinc/06/16/21/1079061621.db2.gz MUEJTHWTZNGWMO-IPLXSBJHSA-N 1 0 407.555 2.486 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]CCc3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 ZINC001168894630 1079063845 /nfs/dbraw/zinc/06/38/45/1079063845.db2.gz XAAKRKSVHZYWKY-IBGZPJMESA-N 1 0 416.543 2.422 20 0 HEADRO CC(=O)N1CCc2cc(Br)cc(-n3nnc(-c4cccc(C[NH3+])c4)n3)c21 ZINC001168883288 1079067994 /nfs/dbraw/zinc/06/79/94/1079067994.db2.gz IFTHCFBKFCEIGM-UHFFFAOYSA-N 1 0 413.279 2.460 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@H+]3C[C@H]4CN(c5ncccn5)C[C@H]4C3)CC2=O)cc1 ZINC001168936659 1079079325 /nfs/dbraw/zinc/07/93/25/1079079325.db2.gz SOBGGIIIZUVSGO-ZCNNSNEGSA-N 1 0 407.518 2.044 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4=O)cc3)CC2=O)cc1 ZINC001168910157 1079073155 /nfs/dbraw/zinc/07/31/55/1079073155.db2.gz RWRPDHKRIGTHSQ-HXUWFJFHSA-N 1 0 423.513 2.339 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]CC3(c4cnccn4)CCOCC3)CC2=O)cc1 ZINC001168913448 1079074291 /nfs/dbraw/zinc/07/42/91/1079074291.db2.gz GLQIYVQLJABDOH-IBGZPJMESA-N 1 0 410.518 2.314 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]CC(=O)NCc3cccc(OC)c3)CC2=O)cc1 ZINC001168916934 1079075170 /nfs/dbraw/zinc/07/51/70/1079075170.db2.gz VRKNQEDVNYJYLL-LJQANCHMSA-N 1 0 411.502 2.101 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+][C@H](CN3C(=O)CCC3=O)C(C)(C)C)CC2=O)cc1 ZINC001168919739 1079075720 /nfs/dbraw/zinc/07/57/20/1079075720.db2.gz IRUCMAHHCWYWDX-PKOBYXMFSA-N 1 0 415.534 2.340 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]C3CCN(C(=O)C(F)(F)F)CC3)CC2=O)cc1 ZINC001168920875 1079075917 /nfs/dbraw/zinc/07/59/17/1079075917.db2.gz QNWPPQZMFWSWTK-MRXNPFEDSA-N 1 0 413.440 2.329 20 0 HEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@@]2(C)C1 ZINC001168932412 1079078160 /nfs/dbraw/zinc/07/81/60/1079078160.db2.gz UHFWHHBQHKOWMR-ZYSHUDEJSA-N 1 0 411.593 2.092 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3C[C@@H]4CN(c5ncccn5)C[C@H]4C3)CC2=O)cc1 ZINC001168936656 1079078828 /nfs/dbraw/zinc/07/88/28/1079078828.db2.gz SOBGGIIIZUVSGO-AQNXPRMDSA-N 1 0 407.518 2.044 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000766553222 1079083629 /nfs/dbraw/zinc/08/36/29/1079083629.db2.gz QLNWHIBWCIVUCG-JOCHJYFZSA-N 1 0 400.523 2.034 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CCc4onc(Cn5ccnc5)c4C3)CC2=O)cc1 ZINC001168928735 1079087279 /nfs/dbraw/zinc/08/72/79/1079087279.db2.gz DOYBSNKIHXIQDB-SFHVURJKSA-N 1 0 421.501 2.477 20 0 HEADRO C[NH+]1C[C@]2(C)CN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCOC4)C[C@@]2(C)C1 ZINC001168929180 1079088082 /nfs/dbraw/zinc/08/80/82/1079088082.db2.gz GGWCDYDTVKDHOY-JJCGOBCMSA-N 1 0 407.555 2.060 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CC[C@H](Oc4nccc(OC)n4)C3)CC2=O)cc1 ZINC001168956815 1079091175 /nfs/dbraw/zinc/09/11/75/1079091175.db2.gz FQCUWIHJDZUJHO-MJGOQNOKSA-N 1 0 412.490 2.138 20 0 HEADRO COc1ccc(CN2CC[C@H]([N@@H+]3CCC[C@@H](NC(=O)N4CCCC4)C3)CC2=O)cc1 ZINC001168956674 1079091226 /nfs/dbraw/zinc/09/12/26/1079091226.db2.gz WYBZNDWAEVCQSB-UXHICEINSA-N 1 0 414.550 2.456 20 0 HEADRO O=C(Cc1noc([C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1)NCCc1ccccc1 ZINC000770980850 1079094202 /nfs/dbraw/zinc/09/42/02/1079094202.db2.gz HFSFPKZIAKVELU-HSZRJFAPSA-N 1 0 406.486 2.065 20 0 HEADRO CN1CCN(C(=O)c2ccnc(-n3c(CCC[NH3+])nc4ccc(Cl)cc43)c2)CC1 ZINC001168993135 1079095258 /nfs/dbraw/zinc/09/52/58/1079095258.db2.gz ZYHFAYKLVNPKJC-UHFFFAOYSA-N 1 0 412.925 2.353 20 0 HEADRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766563485 1079100377 /nfs/dbraw/zinc/10/03/77/1079100377.db2.gz OOSAWCUDVOTUCH-WMLDXEAASA-N 1 0 420.501 2.196 20 0 HEADRO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000766580950 1079115050 /nfs/dbraw/zinc/11/50/50/1079115050.db2.gz CSJRWCXYOIOIIX-YJBOKZPZSA-N 1 0 402.495 2.161 20 0 HEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001169042272 1079108741 /nfs/dbraw/zinc/10/87/41/1079108741.db2.gz YGVNUDLIIKGBRI-GOSISDBHSA-N 1 0 405.539 2.210 20 0 HEADRO CC(C)(C)OC(=O)NCc1nc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC000771037691 1079112517 /nfs/dbraw/zinc/11/25/17/1079112517.db2.gz FCLCECSDRPAHNE-CQSZACIVSA-N 1 0 410.540 2.151 20 0 HEADRO C[C@@H]1CN(c2ccc(N[C@@H](Cc3ccc(O)cc3)C(=O)OC(C)(C)C)nn2)CC[NH2+]1 ZINC001169104345 1079130547 /nfs/dbraw/zinc/13/05/47/1079130547.db2.gz SQTKPVSBFAXOIA-QAPCUYQASA-N 1 0 413.522 2.345 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCSCC4)cc3)CC[C@H]21 ZINC000766586089 1079135670 /nfs/dbraw/zinc/13/56/70/1079135670.db2.gz SQYSPHIJZWKVNX-QFBILLFUSA-N 1 0 402.564 2.121 20 0 HEADRO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000766586727 1079137152 /nfs/dbraw/zinc/13/71/52/1079137152.db2.gz VGGCTTJUMDNAOS-QFBILLFUSA-N 1 0 400.523 2.050 20 0 HEADRO CCN1CCC([NH+]2CCC(C(=O)N[C@](C)(CO)Cc3ccccc3OC)CC2)CC1 ZINC001169091698 1079139270 /nfs/dbraw/zinc/13/92/70/1079139270.db2.gz BEUXSAMJQWVWJL-DEOSSOPVSA-N 1 0 417.594 2.301 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 ZINC000771124110 1079144379 /nfs/dbraw/zinc/14/43/79/1079144379.db2.gz HZYJOXJWZSINHZ-UHFFFAOYSA-N 1 0 403.527 2.176 20 0 HEADRO C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCCC[NH+]2CCCCC2)C1=O ZINC000771095189 1079149233 /nfs/dbraw/zinc/14/92/33/1079149233.db2.gz OUXUOIKELJRHCC-FQEVSTJZSA-N 1 0 424.904 2.238 20 0 HEADRO COC(=O)[C@@](C)(N)Cc1cn(-c2nccc(C[NH3+])c2C(OC)OC)c2ccccc12 ZINC001169109927 1079157859 /nfs/dbraw/zinc/15/78/59/1079157859.db2.gz AEVLEICTRBCUIS-QFIPXVFZSA-N 1 0 412.490 2.209 20 0 HEADRO Cn1nc(Cl)c(I)c(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1=O ZINC001169112745 1079159625 /nfs/dbraw/zinc/15/96/25/1079159625.db2.gz SISZEBQRCOFOTK-AYMMMOKOSA-N 1 0 408.671 2.075 20 0 HEADRO COC(=O)Nc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1F ZINC000766608679 1079163509 /nfs/dbraw/zinc/16/35/09/1079163509.db2.gz UYOYYVDGWFEKMJ-UHFFFAOYSA-N 1 0 406.458 2.419 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2(C)CCOCC2)C[C@H]1C(=O)N1CCSC1 ZINC001170022061 1079164453 /nfs/dbraw/zinc/16/44/53/1079164453.db2.gz MNLMCHRSIPONKH-HOTGVXAUSA-N 1 0 413.584 2.304 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccccc1Cl ZINC001169160353 1079169905 /nfs/dbraw/zinc/16/99/05/1079169905.db2.gz CYHAILCJHFMUJF-CQSZACIVSA-N 1 0 403.914 2.436 20 0 HEADRO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1CN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169160520 1079169973 /nfs/dbraw/zinc/16/99/73/1079169973.db2.gz HHNMIAPJOHXOCT-RSVWRCHESA-N 1 0 407.555 2.486 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001169160356 1079170030 /nfs/dbraw/zinc/17/00/30/1079170030.db2.gz DAJAYHMCXWGVGT-INIZCTEOSA-N 1 0 409.534 2.271 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc2ccccc2n1C ZINC001169161589 1079170592 /nfs/dbraw/zinc/17/05/92/1079170592.db2.gz FIUVJECTVHNZAP-MRXNPFEDSA-N 1 0 422.533 2.274 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCOc2ccccc21 ZINC001169161531 1079170602 /nfs/dbraw/zinc/17/06/02/1079170602.db2.gz DONDQFWFWFUUSN-NVXWUHKLSA-N 1 0 411.506 2.106 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc(Cl)cc1 ZINC001169162125 1079171108 /nfs/dbraw/zinc/17/11/08/1079171108.db2.gz SGNPIRJDFJTMMT-CQSZACIVSA-N 1 0 403.914 2.436 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1c(F)ccc(F)c1F ZINC001169162388 1079171165 /nfs/dbraw/zinc/17/11/65/1079171165.db2.gz LTWXDYQNURLCCR-GFCCVEGCSA-N 1 0 423.439 2.200 20 0 HEADRO CCOC(=O)CC[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cccnc1 ZINC001169164395 1079172450 /nfs/dbraw/zinc/17/24/50/1079172450.db2.gz SAJWWANHLIBWGD-UHFFFAOYSA-N 1 0 420.554 2.390 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(C)Cc2ccccc2C1 ZINC001169185122 1079177063 /nfs/dbraw/zinc/17/70/63/1079177063.db2.gz VWKXZHDCACLVDG-INIZCTEOSA-N 1 0 409.534 2.140 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001169190681 1079178932 /nfs/dbraw/zinc/17/89/32/1079178932.db2.gz JIIZNYWTXYEWPA-CABCVRRESA-N 1 0 411.497 2.360 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001169190732 1079179199 /nfs/dbraw/zinc/17/91/99/1079179199.db2.gz KBSUYSYZVYPAPN-KGLIPLIRSA-N 1 0 415.460 2.062 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001169191994 1079180297 /nfs/dbraw/zinc/18/02/97/1079180297.db2.gz OPNGJKOASSWLJY-FUHWJXTLSA-N 1 0 410.522 2.225 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001169191996 1079180309 /nfs/dbraw/zinc/18/03/09/1079180309.db2.gz OPNGJKOASSWLJY-WMZOPIPTSA-N 1 0 410.522 2.225 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001169194014 1079180762 /nfs/dbraw/zinc/18/07/62/1079180762.db2.gz VADRDYLYKGHOMR-GJZGRUSLSA-N 1 0 411.497 2.408 20 0 HEADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000746377687 1079181911 /nfs/dbraw/zinc/18/19/11/1079181911.db2.gz COUHKVRJILSENY-IRLDBZIGSA-N 1 0 423.561 2.139 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCc2sccc21 ZINC001169196398 1079182137 /nfs/dbraw/zinc/18/21/37/1079182137.db2.gz NZYUFDUGLLGGDE-UKRRQHHQSA-N 1 0 401.536 2.331 20 0 HEADRO COCCOC(=O)Nc1cccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000771128207 1079182906 /nfs/dbraw/zinc/18/29/06/1079182906.db2.gz QVEOTGBEBHYVNL-UHFFFAOYSA-N 1 0 421.542 2.419 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001169200873 1079183416 /nfs/dbraw/zinc/18/34/16/1079183416.db2.gz DQNVSMBSGXYDNI-AEFFLSMTSA-N 1 0 410.522 2.225 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CCOc1ccccc1 ZINC001169201766 1079183549 /nfs/dbraw/zinc/18/35/49/1079183549.db2.gz LKUVVPIVHMPWKB-QGZVFWFLSA-N 1 0 413.522 2.003 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001169200876 1079183701 /nfs/dbraw/zinc/18/37/01/1079183701.db2.gz DQNVSMBSGXYDNI-WMZOPIPTSA-N 1 0 410.522 2.225 20 0 HEADRO COc1cccc(C[N@H+](C)[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169202305 1079184356 /nfs/dbraw/zinc/18/43/56/1079184356.db2.gz OUFVYXIXLIWHQV-INIZCTEOSA-N 1 0 413.522 2.133 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCOc1ccccc1 ZINC001169172478 1079186569 /nfs/dbraw/zinc/18/65/69/1079186569.db2.gz PPNIAPPLNJFNKN-KRWDZBQOSA-N 1 0 413.522 2.051 20 0 HEADRO Cc1ccc(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c(F)c1 ZINC001169173184 1079188075 /nfs/dbraw/zinc/18/80/75/1079188075.db2.gz ZIZWGAYRGUCOSN-OAHLLOKOSA-N 1 0 401.486 2.230 20 0 HEADRO CCCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000804309319 1079189316 /nfs/dbraw/zinc/18/93/16/1079189316.db2.gz AKQHNFNGFZAQCL-IAGOWNOFSA-N 1 0 412.575 2.081 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC001169181127 1079193277 /nfs/dbraw/zinc/19/32/77/1079193277.db2.gz LKZHDJKXGFPELK-HNNXBMFYSA-N 1 0 413.497 2.411 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCOC2(CCCCC2)C1 ZINC001169213489 1079197202 /nfs/dbraw/zinc/19/72/02/1079197202.db2.gz QUKMYKGDBKRFET-KRWDZBQOSA-N 1 0 417.554 2.028 20 0 HEADRO COc1cccc2c1C[N@@H+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169211922 1079197429 /nfs/dbraw/zinc/19/74/29/1079197429.db2.gz JXUQBKINIYTNDW-HNNXBMFYSA-N 1 0 411.506 2.017 20 0 HEADRO Cc1cccc(C)c1CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000766621572 1079199661 /nfs/dbraw/zinc/19/96/61/1079199661.db2.gz RRNNFCWIHKFPHX-UHFFFAOYSA-N 1 0 424.545 2.185 20 0 HEADRO COc1cncc(CCNc2nccc(C[N@@H+]3CC[C@H](CO)C3)c2C(OC)OC)c1 ZINC001169263835 1079206194 /nfs/dbraw/zinc/20/61/94/1079206194.db2.gz YPAQRRGUWZJRLS-KRWDZBQOSA-N 1 0 416.522 2.245 20 0 HEADRO O=C(c1cc(NCc2ncn3c2C[NH2+]CCC3)nc2ccccc21)N1CCOCC1 ZINC001169239925 1079208633 /nfs/dbraw/zinc/20/86/33/1079208633.db2.gz CVSGJZNOUAVEFX-UHFFFAOYSA-N 1 0 406.490 2.009 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)CCCNC(=O)c3ccc(F)cc3)CC[NH2+]2)c1 ZINC001169250543 1079211779 /nfs/dbraw/zinc/21/17/79/1079211779.db2.gz JLRJEJZWIRSLHI-HXUWFJFHSA-N 1 0 413.493 2.387 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC[NH2+]2)c1 ZINC001169250626 1079212022 /nfs/dbraw/zinc/21/20/22/1079212022.db2.gz KWGKYUAXNMHTPX-QGZVFWFLSA-N 1 0 400.475 2.378 20 0 HEADRO COC(=O)c1cn(CC(=O)N2CC[NH2+][C@H](Cc3cccc(OC)c3)C2)c2ccccc12 ZINC001169251991 1079212274 /nfs/dbraw/zinc/21/22/74/1079212274.db2.gz SNGDPHJZYQQNTH-GOSISDBHSA-N 1 0 421.497 2.480 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)CN3CC[C@@H](c4ccccc4)NC3=O)CC[NH2+]2)c1 ZINC001169260276 1079214332 /nfs/dbraw/zinc/21/43/32/1079214332.db2.gz HNCKXOYOZAEVKK-UNMCSNQZSA-N 1 0 422.529 2.195 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC001169261114 1079214467 /nfs/dbraw/zinc/21/44/67/1079214467.db2.gz SGKHTXYQZTYCCC-LFGUQSLTSA-N 1 0 415.534 2.436 20 0 HEADRO C[C@@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CCO1 ZINC000771239047 1079221885 /nfs/dbraw/zinc/22/18/85/1079221885.db2.gz KXQFJAMEGCKJDD-IAGOWNOFSA-N 1 0 402.539 2.087 20 0 HEADRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001169274621 1079215514 /nfs/dbraw/zinc/21/55/14/1079215514.db2.gz ZFAYGDPORCTFOB-KDUYSQSBSA-N 1 0 402.520 2.402 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000771226385 1079217258 /nfs/dbraw/zinc/21/72/58/1079217258.db2.gz HVSFPNMXZRJAOE-JXFKEZNVSA-N 1 0 414.550 2.485 20 0 HEADRO O[C@H](C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)C[C@]1(O)CCOC1 ZINC001169293821 1079217336 /nfs/dbraw/zinc/21/73/36/1079217336.db2.gz ZCSGPRHLBFVFNA-RBUKOAKNSA-N 1 0 414.340 2.333 20 0 HEADRO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCC[NH+](C(C)C)C(C)C)C1=O ZINC000771240236 1079223015 /nfs/dbraw/zinc/22/30/15/1079223015.db2.gz HIQXCJAFOFCMDY-JOCHJYFZSA-N 1 0 418.538 2.006 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCOC2CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169312826 1079224928 /nfs/dbraw/zinc/22/49/28/1079224928.db2.gz GHNNBAYFALZEJS-FUHWJXTLSA-N 1 0 414.543 2.493 20 0 HEADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(SC(F)F)nc2)CC1 ZINC000771212855 1079229890 /nfs/dbraw/zinc/22/98/90/1079229890.db2.gz CVEMRBNKVXUYHO-UHFFFAOYSA-N 1 0 416.494 2.340 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C)C(C)C ZINC000771220522 1079234126 /nfs/dbraw/zinc/23/41/26/1079234126.db2.gz XQCVWERBGFSIQU-KRWDZBQOSA-N 1 0 402.539 2.486 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CO1 ZINC001169334986 1079237559 /nfs/dbraw/zinc/23/75/59/1079237559.db2.gz OTWLZHZHWBGHCU-NWZZKEMCSA-N 1 0 412.527 2.245 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(c3cc(C(F)(F)F)ncn3)CC2)CO1 ZINC001169378169 1079247283 /nfs/dbraw/zinc/24/72/83/1079247283.db2.gz XETVJEUSRPGPOW-KBPBESRZSA-N 1 0 402.417 2.165 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC(Oc3ncc(Br)cn3)CC2)CO1 ZINC001169404453 1079251556 /nfs/dbraw/zinc/25/15/56/1079251556.db2.gz NBFDHZDONAMAOS-UKRRQHHQSA-N 1 0 414.300 2.193 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ncc(Br)cn3)CC2)CO1 ZINC001169404452 1079252008 /nfs/dbraw/zinc/25/20/08/1079252008.db2.gz NBFDHZDONAMAOS-HIFRSBDPSA-N 1 0 414.300 2.193 20 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CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169389889 1079259889 /nfs/dbraw/zinc/25/98/89/1079259889.db2.gz UBLCGOOKGUXZTD-TWFHAPMSSA-N 1 0 422.547 2.212 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CO1 ZINC001169390509 1079259942 /nfs/dbraw/zinc/25/99/42/1079259942.db2.gz VTFXLSHJCNVGAO-LMVRJCEZSA-N 1 0 404.507 2.442 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)CO1 ZINC001169391922 1079261688 /nfs/dbraw/zinc/26/16/88/1079261688.db2.gz LUPPGVLLTJVZAE-PFAUGDHASA-N 1 0 411.539 2.162 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169398947 1079272408 /nfs/dbraw/zinc/27/24/08/1079272408.db2.gz UBLCGOOKGUXZTD-OEMYIYORSA-N 1 0 422.547 2.212 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CO1 ZINC001169393541 1079265772 /nfs/dbraw/zinc/26/57/72/1079265772.db2.gz SSOAWVFYAJPEPM-GYFUMUFKSA-N 1 0 420.575 2.476 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)CO1 ZINC001169395385 1079267415 /nfs/dbraw/zinc/26/74/15/1079267415.db2.gz IBQXURUXNPSXNP-JTDSTZFVSA-N 1 0 410.465 2.125 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCc2cncs2)C[C@H]1C(=O)N1CCSC1 ZINC001170024780 1079268291 /nfs/dbraw/zinc/26/82/91/1079268291.db2.gz CFXODFOMZJEILV-HIFRSBDPSA-N 1 0 412.581 2.186 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)CO1 ZINC001169396751 1079269311 /nfs/dbraw/zinc/26/93/11/1079269311.db2.gz MDLIVTZRHKAKGG-BBTUJRGHSA-N 1 0 421.563 2.377 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)CO1 ZINC001169397440 1079269545 /nfs/dbraw/zinc/26/95/45/1079269545.db2.gz NQJAWKFWMUQFKX-BSDSXHPESA-N 1 0 407.536 2.128 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H](N(c2cc(C(F)(F)F)ncn2)C2CC[NH2+]CC2)CO1 ZINC001169417774 1079277600 /nfs/dbraw/zinc/27/76/00/1079277600.db2.gz GVQBDLJAJHTQTG-KGLIPLIRSA-N 1 0 402.417 2.165 20 0 HEADRO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001169445216 1079295398 /nfs/dbraw/zinc/29/53/98/1079295398.db2.gz QIBFHIABWWGHKK-IBGZPJMESA-N 1 0 414.506 2.351 20 0 HEADRO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(CC[NH+](C)C)cc2)C1=O ZINC000771326073 1079287749 /nfs/dbraw/zinc/28/77/49/1079287749.db2.gz PODMCIGJQSCZHO-HSZRJFAPSA-N 1 0 424.501 2.205 20 0 HEADRO O=C(CC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1)NC(=O)NCC(F)(F)F ZINC001170025248 1079289972 /nfs/dbraw/zinc/28/99/72/1079289972.db2.gz GXLSPHIOJZBMAS-CQSZACIVSA-N 1 0 422.448 2.242 20 0 HEADRO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2cc(N3CCCCC3)cc[nH+]2)c1 ZINC001169440015 1079290503 /nfs/dbraw/zinc/29/05/03/1079290503.db2.gz XXCCTQAPBSLLIB-LJQANCHMSA-N 1 0 414.506 2.351 20 0 HEADRO COC(=O)C1=C(C)O[C@H](C[N@H+](C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC001169441955 1079291891 /nfs/dbraw/zinc/29/18/91/1079291891.db2.gz UZCILAIJLJEFAA-KDOFPFPSSA-N 1 0 408.520 2.455 20 0 HEADRO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC001169441954 1079292001 /nfs/dbraw/zinc/29/20/01/1079292001.db2.gz UZCILAIJLJEFAA-KBXCAEBGSA-N 1 0 408.520 2.455 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)[C@@H](C)O ZINC001169458858 1079306024 /nfs/dbraw/zinc/30/60/24/1079306024.db2.gz KUSILNGGXKKPRE-ZSDSOXJFSA-N 1 0 417.506 2.026 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCc2ccccc2O)C[C@H]1C(=O)N1CCSC1 ZINC001170025274 1079304631 /nfs/dbraw/zinc/30/46/31/1079304631.db2.gz HIONVJRQEITCNK-IRXDYDNUSA-N 1 0 421.563 2.435 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001169470834 1079309760 /nfs/dbraw/zinc/30/97/60/1079309760.db2.gz HRBZBZMCISVXBC-UWJYYQICSA-N 1 0 407.534 2.182 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCC[C@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001169470831 1079309890 /nfs/dbraw/zinc/30/98/90/1079309890.db2.gz HRBZBZMCISVXBC-LAUBAEHRSA-N 1 0 407.534 2.182 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001169475256 1079312782 /nfs/dbraw/zinc/31/27/82/1079312782.db2.gz MSLPEOKWODHGPT-VGSWGCGISA-N 1 0 404.530 2.196 20 0 HEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000771416467 1079313011 /nfs/dbraw/zinc/31/30/11/1079313011.db2.gz FQNYVYZXPMFOAU-CKNGIIGNSA-N 1 0 408.502 2.158 20 0 HEADRO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000771417849 1079313073 /nfs/dbraw/zinc/31/30/73/1079313073.db2.gz OFZKMYFNGCGEDO-GUDVDZBRSA-N 1 0 405.539 2.289 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000771383562 1079316205 /nfs/dbraw/zinc/31/62/05/1079316205.db2.gz PZKQZOQUMHSPCT-RBUKOAKNSA-N 1 0 403.527 2.308 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000771383563 1079316268 /nfs/dbraw/zinc/31/62/68/1079316268.db2.gz PZKQZOQUMHSPCT-RTBURBONSA-N 1 0 403.527 2.308 20 0 HEADRO COc1ccc(-c2noc(CONC(=[NH2+])CNC(=O)OC(C)(C)C)n2)c(OC)c1 ZINC000766740097 1079321598 /nfs/dbraw/zinc/32/15/98/1079321598.db2.gz IHMLOYYWHYXOFI-UHFFFAOYSA-N 1 0 407.427 2.277 20 0 HEADRO CC(=O)N1CC[C@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCS(=O)(=O)CC2)C1 ZINC001169521347 1079321853 /nfs/dbraw/zinc/32/18/53/1079321853.db2.gz RBBOQIMKNDSTHK-KRWDZBQOSA-N 1 0 418.481 2.406 20 0 HEADRO CCC[N@H+](CC)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771401709 1079323990 /nfs/dbraw/zinc/32/39/90/1079323990.db2.gz OQWMDCOHXADIIW-LJQANCHMSA-N 1 0 412.893 2.094 20 0 HEADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000771404703 1079324801 /nfs/dbraw/zinc/32/48/01/1079324801.db2.gz PQDOSYBEHVMVLI-GJZGRUSLSA-N 1 0 412.515 2.412 20 0 HEADRO CCOCCC[N@@H+]1CC[C@H](NCc2noc(CNC(=O)OC(C)(C)C)n2)[C@H](C)C1 ZINC001169556893 1079330834 /nfs/dbraw/zinc/33/08/34/1079330834.db2.gz VLHRVLFFOCHCOK-CVEARBPZSA-N 1 0 411.547 2.321 20 0 HEADRO COC(=O)c1n[nH]cc1Nc1cc(N2CCC[C@H]([NH3+])C2)nc(Oc2ccccc2)n1 ZINC001169571672 1079334505 /nfs/dbraw/zinc/33/45/05/1079334505.db2.gz JXKIIGCQVCLTAK-ZDUSSCGKSA-N 1 0 409.450 2.450 20 0 HEADRO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000766757560 1079337059 /nfs/dbraw/zinc/33/70/59/1079337059.db2.gz NIDODZFLHMNMGT-FCHUYYIVSA-N 1 0 411.550 2.466 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)CC1 ZINC000771427867 1079338257 /nfs/dbraw/zinc/33/82/57/1079338257.db2.gz LODZMOSTUIQMCI-UHFFFAOYSA-N 1 0 413.474 2.422 20 0 HEADRO Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000766757048 1079338608 /nfs/dbraw/zinc/33/86/08/1079338608.db2.gz FWDINHPVKIYURO-RTWAWAEBSA-N 1 0 412.538 2.077 20 0 HEADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000766762599 1079346181 /nfs/dbraw/zinc/34/61/81/1079346181.db2.gz DWNXSQQHTGJKCJ-SFHVURJKSA-N 1 0 423.579 2.092 20 0 HEADRO CC(C)COC(=O)N1CCC(c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)CC1 ZINC000771471858 1079350035 /nfs/dbraw/zinc/35/00/35/1079350035.db2.gz JAIXAFLZUFZSGN-UHFFFAOYSA-N 1 0 421.542 2.137 20 0 HEADRO C[NH+](C)C1CCN(C(=O)Cc2noc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)CC1 ZINC000771473776 1079351605 /nfs/dbraw/zinc/35/16/05/1079351605.db2.gz YZECWSWGXYDZLU-OAHLLOKOSA-N 1 0 421.542 2.279 20 0 HEADRO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC000766764472 1079352627 /nfs/dbraw/zinc/35/26/27/1079352627.db2.gz NELJYMLTUMQCRF-VAMGGRTRSA-N 1 0 403.502 2.460 20 0 HEADRO CC(=O)N1CCC[C@@H](N2CC[NH+](C3(C)CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001169617566 1079354019 /nfs/dbraw/zinc/35/40/19/1079354019.db2.gz SDJGIVGSETWQQR-LJQANCHMSA-N 1 0 408.587 2.405 20 0 HEADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000771499199 1079359752 /nfs/dbraw/zinc/35/97/52/1079359752.db2.gz CGKJCDMLRNJYGB-UHFFFAOYSA-N 1 0 419.522 2.333 20 0 HEADRO C[NH+]1CCN(Cc2ccc(C(=O)NC3CCC(O)(c4cccnc4)CC3)cc2)CC1 ZINC000771508735 1079365576 /nfs/dbraw/zinc/36/55/76/1079365576.db2.gz BZFXZDUKUWNKTG-UHFFFAOYSA-N 1 0 408.546 2.389 20 0 HEADRO CCOC(=O)N1CCC[C@H](N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)CC1 ZINC001169684886 1079367914 /nfs/dbraw/zinc/36/79/14/1079367914.db2.gz HQGWEZJNHJDLDM-HNNXBMFYSA-N 1 0 400.483 2.128 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)CC1 ZINC001169690109 1079370511 /nfs/dbraw/zinc/37/05/11/1079370511.db2.gz ADLSZKDGXAMHAY-QWFCFKBJSA-N 1 0 419.522 2.454 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)CC1 ZINC001169691148 1079371473 /nfs/dbraw/zinc/37/14/73/1079371473.db2.gz FKLABNHTKSTIQQ-WIYYLYMNSA-N 1 0 403.527 2.159 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)CC1 ZINC001169690727 1079371506 /nfs/dbraw/zinc/37/15/06/1079371506.db2.gz BAAWWIHCRQTFFK-DENIHFKCSA-N 1 0 417.554 2.406 20 0 HEADRO CCOC(=O)N1CCC[C@H]([NH+]2CCC3(CC2)[C@@H](c2cnn(C)c2)CC(=O)N3C)CC1 ZINC001169692266 1079373391 /nfs/dbraw/zinc/37/33/91/1079373391.db2.gz JNZBYRDJKOSXSI-RBUKOAKNSA-N 1 0 417.554 2.211 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000771578124 1079378343 /nfs/dbraw/zinc/37/83/43/1079378343.db2.gz FZNBHPMYIFBTAL-FNNTWHHHSA-N 1 0 420.513 2.222 20 0 HEADRO C[NH+](C)C1(C)CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC001169724929 1079384752 /nfs/dbraw/zinc/38/47/52/1079384752.db2.gz DPGQQZCFTNVSCI-UHFFFAOYSA-N 1 0 411.543 2.169 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169721698 1079384801 /nfs/dbraw/zinc/38/48/01/1079384801.db2.gz YCKOUDAMHFWLNQ-FQEVSTJZSA-N 1 0 416.566 2.434 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([NH+]2CCN(CC(=O)N(C)c3ccccc3)CC2)CC1 ZINC001169705131 1079380404 /nfs/dbraw/zinc/38/04/04/1079380404.db2.gz HPMWBQJDQIULPY-HXUWFJFHSA-N 1 0 402.539 2.278 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCOC2CCCC2)C[C@H]1C(=O)N1CCSC1 ZINC001170028669 1079383049 /nfs/dbraw/zinc/38/30/49/1079383049.db2.gz CMLLDKVWSYJDHG-RDJZCZTQSA-N 1 0 413.584 2.446 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2Cn3nnc(-c4cccnc4)c3CO2)C1 ZINC001169719902 1079384177 /nfs/dbraw/zinc/38/41/77/1079384177.db2.gz DIGIGQFSEKFGRK-VQTJNVASSA-N 1 0 418.501 2.133 20 0 HEADRO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cn1 ZINC000766804234 1079390364 /nfs/dbraw/zinc/39/03/64/1079390364.db2.gz DFOGHKZEBRDZIK-LEWJYISDSA-N 1 0 411.550 2.117 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)CC1=O ZINC001169777655 1079396763 /nfs/dbraw/zinc/39/67/63/1079396763.db2.gz FUWVMXRDNUJXTA-XYJFISCASA-N 1 0 412.534 2.428 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C[C@H]1O ZINC001169783700 1079417275 /nfs/dbraw/zinc/41/72/75/1079417275.db2.gz KRSRKNCXMCGKFT-GUDVDZBRSA-N 1 0 403.523 2.251 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@H]2CCN(C3CCC3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170029818 1079420520 /nfs/dbraw/zinc/42/05/20/1079420520.db2.gz KXBDMWOKMFRZTG-JZXOWHBKSA-N 1 0 424.611 2.114 20 0 HEADRO CCOC(=O)c1nc([C@H]2CCC[NH2+]C2)n([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC001169792608 1079422422 /nfs/dbraw/zinc/42/24/22/1079422422.db2.gz ZKWVUJSVTYEOBD-ZWKOTPCHSA-N 1 0 411.506 2.399 20 0 HEADRO O=C(CNC(=O)c1c(C(F)(F)F)nc2ccccn21)NCC[NH+]1CCCCCC1 ZINC001129347617 1079424418 /nfs/dbraw/zinc/42/44/18/1079424418.db2.gz ZLTMNRXGRRLBJB-UHFFFAOYSA-N 1 0 411.428 2.075 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2nc(NCc3ccco3)ncc2Cl)CC1 ZINC000771662350 1079431351 /nfs/dbraw/zinc/43/13/51/1079431351.db2.gz ZUZDRMXNTGTNBS-UHFFFAOYSA-N 1 0 420.945 2.481 20 0 HEADRO CC[C@]1(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000771668496 1079437347 /nfs/dbraw/zinc/43/73/47/1079437347.db2.gz APQWXYMQSVJFKD-PGRDOPGGSA-N 1 0 408.587 2.405 20 0 HEADRO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)n1 ZINC001169822122 1079434409 /nfs/dbraw/zinc/43/44/09/1079434409.db2.gz RPLUCIVAEIWBFX-MRXNPFEDSA-N 1 0 420.510 2.480 20 0 HEADRO CC[C@]1(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000771667548 1079436253 /nfs/dbraw/zinc/43/62/53/1079436253.db2.gz LXGWYTBLCAUGKP-HTAPYJJXSA-N 1 0 408.587 2.451 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)CCO2 ZINC001169852617 1079447563 /nfs/dbraw/zinc/44/75/63/1079447563.db2.gz YVKZUISTCMRSKU-VPWFFCTISA-N 1 0 416.584 2.490 20 0 HEADRO CC[C@@H]1[N@@H+](C2CCC(S(C)(=O)=O)CC2)CCC[C@]12CCC(=O)N2CCOC ZINC001169879843 1079453267 /nfs/dbraw/zinc/45/32/67/1079453267.db2.gz HKTILEOROFKWLF-BZWMRVRASA-N 1 0 400.585 2.224 20 0 HEADRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH+](C1CCC(S(C)(=O)=O)CC1)CC2 ZINC001169879859 1079453793 /nfs/dbraw/zinc/45/37/93/1079453793.db2.gz IBMGPCJYVPCLBU-XBMUEBEBSA-N 1 0 422.595 2.140 20 0 HEADRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+](C4CCC(S(C)(=O)=O)CC4)C3)C2)n1 ZINC001169880175 1079453855 /nfs/dbraw/zinc/45/38/55/1079453855.db2.gz KCUDOBBIJHAKRH-KOQKOIQBSA-N 1 0 408.564 2.496 20 0 HEADRO C[C@H]1N(c2cccnc2)C(=O)COC12CC[NH+](C1CCC(S(C)(=O)=O)CC1)CC2 ZINC001169880034 1079454002 /nfs/dbraw/zinc/45/40/02/1079454002.db2.gz BDRJFCGKGWRQAT-LRYGQEGESA-N 1 0 421.563 2.024 20 0 HEADRO CS(=O)(=O)C1CCC([NH+]2CCC3(C[C@@H](CC(=O)N4CCCC4)CO3)CC2)CC1 ZINC001169880532 1079454766 /nfs/dbraw/zinc/45/47/66/1079454766.db2.gz OFGBVGVVRMFLJN-LMDPOFIKSA-N 1 0 412.596 2.226 20 0 HEADRO CS(=O)(=O)C1CCC([NH+]2CCC3(CC[C@H](C(=O)N4CCCC4)OC3)CC2)CC1 ZINC001169884303 1079457842 /nfs/dbraw/zinc/45/78/42/1079457842.db2.gz AGEXBVGNYUSMAD-CTWPCTMYSA-N 1 0 412.596 2.226 20 0 HEADRO COC(=O)C1(C[NH2+][C@H]2CCCC3(C2)OCCO3)CCN(C(=O)OC(C)(C)C)CC1 ZINC001169902441 1079470513 /nfs/dbraw/zinc/47/05/13/1079470513.db2.gz XRJJYHSWDISGJL-INIZCTEOSA-N 1 0 412.527 2.452 20 0 HEADRO CC(C)(C)OC(=O)N1CCCn2nnc(C[NH2+][C@@H]3CCCC4(C3)OCCO4)c2C1 ZINC001169905137 1079471646 /nfs/dbraw/zinc/47/16/46/1079471646.db2.gz CDRKLTFSUUJYLM-OAHLLOKOSA-N 1 0 407.515 2.194 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169905487 1079472106 /nfs/dbraw/zinc/47/21/06/1079472106.db2.gz NOQULPSFYGILEG-BRWVUGGUSA-N 1 0 412.527 2.450 20 0 HEADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)CC1 ZINC000771753447 1079482484 /nfs/dbraw/zinc/48/24/84/1079482484.db2.gz XPTALDYKNGFAES-UHFFFAOYSA-N 1 0 411.568 2.295 20 0 HEADRO COC(=O)CC[N@H+](Cc1ccc(I)cc1)CC(OC)OC ZINC000766880518 1079474797 /nfs/dbraw/zinc/47/47/97/1079474797.db2.gz ZXYDHTMZDZALJH-UHFFFAOYSA-N 1 0 407.248 2.275 20 0 HEADRO C[C@@H](CNC(=O)NC[C@@H](O)COc1ccccc1Br)[NH+]1CCCCC1 ZINC000766879847 1079475312 /nfs/dbraw/zinc/47/53/12/1079475312.db2.gz HBHGQOQGNCCIHD-LSDHHAIUSA-N 1 0 414.344 2.362 20 0 HEADRO O=C(NCCS(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)OCc1ccccc1 ZINC000771759326 1079483713 /nfs/dbraw/zinc/48/37/13/1079483713.db2.gz UGKLBOWPLFCTPN-LJQANCHMSA-N 1 0 409.552 2.193 20 0 HEADRO CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000737268768 1075897536 /nfs/dbraw/zinc/89/75/36/1075897536.db2.gz RUTUFCVYLCKNKU-QFIPXVFZSA-N 1 0 418.538 2.107 20 0 HEADRO CCc1cc(CNC(=O)C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)[nH]n1 ZINC000737298360 1075901687 /nfs/dbraw/zinc/90/16/87/1075901687.db2.gz GHOPPWLYORDVKX-UHFFFAOYSA-N 1 0 418.929 2.022 20 0 HEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1ccccc1SC(F)F ZINC000737300282 1075902427 /nfs/dbraw/zinc/90/24/27/1075902427.db2.gz WOGMVNIDKKHLSP-ZDUSSCGKSA-N 1 0 401.479 2.293 20 0 HEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)n3)cc2)C1 ZINC000737530950 1075909335 /nfs/dbraw/zinc/90/93/35/1075909335.db2.gz POPOFPWFZLUWQI-MRXNPFEDSA-N 1 0 422.464 2.356 20 0 HEADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000737693720 1075920055 /nfs/dbraw/zinc/92/00/55/1075920055.db2.gz ZMYQGSNYPGNAJR-AUSIDOKSSA-N 1 0 412.534 2.239 20 0 HEADRO O=C(NCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000771719747 1079489816 /nfs/dbraw/zinc/48/98/16/1079489816.db2.gz DCNVTHHRJUBGCC-FQEVSTJZSA-N 1 0 417.531 2.107 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1 ZINC000737727940 1075926494 /nfs/dbraw/zinc/92/64/94/1075926494.db2.gz IGKSIERERHNJQL-UHFFFAOYSA-N 1 0 420.554 2.190 20 0 HEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1 ZINC000737822531 1075933500 /nfs/dbraw/zinc/93/35/00/1075933500.db2.gz LBKKJQWGDHGSCI-IAGOWNOFSA-N 1 0 400.502 2.037 20 0 HEADRO C[C@@H]1CN(Cc2cccc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 ZINC000737869384 1075937180 /nfs/dbraw/zinc/93/71/80/1075937180.db2.gz DZKNAWFQGJAUFC-RKVPGOIHSA-N 1 0 412.577 2.155 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000737991062 1075948347 /nfs/dbraw/zinc/94/83/47/1075948347.db2.gz VQCFDRSFMXDTPG-UHFFFAOYSA-N 1 0 420.517 2.170 20 0 HEADRO CCCC[N@H+](C)CC1CCN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 ZINC000738068093 1075957653 /nfs/dbraw/zinc/95/76/53/1075957653.db2.gz XBQOSMWSCHEALA-UHFFFAOYSA-N 1 0 406.552 2.440 20 0 HEADRO C[NH+](C)[C@H]1CCCN(Cn2nc(N3CCOCC3)n(-c3cccc(F)c3)c2=S)C1 ZINC000738142260 1075962904 /nfs/dbraw/zinc/96/29/04/1075962904.db2.gz BIIOIGNNMFOEAM-SFHVURJKSA-N 1 0 420.558 2.362 20 0 HEADRO Cc1nn(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(=S)n1CC(=O)N(C)C ZINC000738108905 1075964129 /nfs/dbraw/zinc/96/41/29/1075964129.db2.gz TZQCIYFPNAXTFU-WMZOPIPTSA-N 1 0 408.616 2.355 20 0 HEADRO COC(=O)c1nn(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(=O)c2noc(C)c21 ZINC000738110519 1075965142 /nfs/dbraw/zinc/96/51/42/1075965142.db2.gz ZLNDBHBVFZWJFH-ZBFHGGJFSA-N 1 0 417.510 2.023 20 0 HEADRO Cn1c(=S)n(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nc1-c1ccncc1 ZINC000738170321 1075973082 /nfs/dbraw/zinc/97/30/82/1075973082.db2.gz HBTZQSPYOHQBER-GOSISDBHSA-N 1 0 401.584 2.072 20 0 HEADRO Cc1onc2c1c(-c1ccccc1)nn(CN1CCN([C@H]3CCC[N@@H+](C)C3)CC1)c2=O ZINC000738211891 1075974095 /nfs/dbraw/zinc/97/40/95/1075974095.db2.gz GKHIDPGPAFLFQV-IBGZPJMESA-N 1 0 422.533 2.029 20 0 HEADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCSC[C@@H]1c1ccc(Cl)cc1)C2=O ZINC000738256200 1075976999 /nfs/dbraw/zinc/97/69/99/1075976999.db2.gz QQAZYXWHCRNXFT-MRXNPFEDSA-N 1 0 408.955 2.404 20 0 HEADRO CCn1c(C)nn(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1=S ZINC000738286300 1075979619 /nfs/dbraw/zinc/97/96/19/1075979619.db2.gz ZIOYHWSUVXIKFV-UHFFFAOYSA-N 1 0 404.584 2.463 20 0 HEADRO CCOC(=O)C1=C(CN2CCC[C@@H]([NH+]3CCCC3)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000738334038 1075983600 /nfs/dbraw/zinc/98/36/00/1075983600.db2.gz BLRRVBRNMIAYKN-UZLBHIALSA-N 1 0 416.522 2.401 20 0 HEADRO O=C(CCN1CCC[N@H+](C[C@H]2CCCO2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000738318123 1075988483 /nfs/dbraw/zinc/98/84/83/1075988483.db2.gz OQVFLLIGLKHQRB-JOCHJYFZSA-N 1 0 416.566 2.039 20 0 HEADRO O=C(CC[N@H+]1CCCN(CC(F)(F)F)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000738321504 1075989496 /nfs/dbraw/zinc/98/94/96/1075989496.db2.gz WRCSLWVAMMVUET-UHFFFAOYSA-N 1 0 414.472 2.422 20 0 HEADRO CC(=O)NCCc1ccc(S(=O)(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000738365728 1075998579 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CN(CCCC(=O)NCC1([NH+](C)C)CCCCC1)C1=NS(=O)(=O)c2ccccc21 ZINC000741892791 1076661777 /nfs/dbraw/zinc/66/17/77/1076661777.db2.gz RMJKHNSVFAVRML-UHFFFAOYSA-N 1 0 420.579 2.228 20 0 HEADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)C1 ZINC000741875964 1076663080 /nfs/dbraw/zinc/66/30/80/1076663080.db2.gz QAVKQQTZOXRSGO-CABCVRRESA-N 1 0 408.534 2.468 20 0 HEADRO O=C(N/C(=C/c1ccco1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000742105409 1076743749 /nfs/dbraw/zinc/74/37/49/1076743749.db2.gz WWAYHXLBIPVIHI-ISPGYRLHSA-N 1 0 409.486 2.231 20 0 HEADRO O=C(N/C(=C/c1cccnc1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000742105587 1076743759 /nfs/dbraw/zinc/74/37/59/1076743759.db2.gz ZWMPEFMVBHXWFN-INKLHFNDSA-N 1 0 420.513 2.033 20 0 HEADRO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000742119632 1076748458 /nfs/dbraw/zinc/74/84/58/1076748458.db2.gz ZWQIYVBUPCMLHE-MRXNPFEDSA-N 1 0 411.543 2.460 20 0 HEADRO 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CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000742901031 1076894878 /nfs/dbraw/zinc/89/48/78/1076894878.db2.gz ICFQMOJAWGMLLV-GFCCVEGCSA-N 1 0 403.342 2.409 20 0 HEADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000743048630 1076937932 /nfs/dbraw/zinc/93/79/32/1076937932.db2.gz BROLMAORKNWRDM-QGZVFWFLSA-N 1 0 400.500 2.500 20 0 HEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000743073914 1076943449 /nfs/dbraw/zinc/94/34/49/1076943449.db2.gz NZQOMWZKHCAOEZ-UHFFFAOYSA-N 1 0 418.510 2.173 20 0 HEADRO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000743162977 1076981173 /nfs/dbraw/zinc/98/11/73/1076981173.db2.gz HUGZWEPHRFBHED-AWEZNQCLSA-N 1 0 420.457 2.133 20 0 HEADRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000743164327 1076983789 /nfs/dbraw/zinc/98/37/89/1076983789.db2.gz SJLIKRVHKNZPNJ-UHFFFAOYSA-N 1 0 408.446 2.087 20 0 HEADRO C[C@H]1CN(c2ccc(NC(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)cc2)CCO1 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Cn1ccnc1[C@H](O)C1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000771962387 1079609394 /nfs/dbraw/zinc/60/93/94/1079609394.db2.gz ZHYJMKNCZHAWGQ-HXUWFJFHSA-N 1 0 415.538 2.016 20 0 HEADRO Cn1ccnc1[C@H](O)C1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000771985435 1079629855 /nfs/dbraw/zinc/62/98/55/1079629855.db2.gz JTLIVSRGYCXNPW-RBUKOAKNSA-N 1 0 403.502 2.317 20 0 HEADRO Cn1ccnc1[C@H](O)C1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000771990698 1079636189 /nfs/dbraw/zinc/63/61/89/1079636189.db2.gz SNHLHELHVXENQL-LJQANCHMSA-N 1 0 403.502 2.276 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)CC(C)C ZINC000772006114 1079646790 /nfs/dbraw/zinc/64/67/90/1079646790.db2.gz FBIMHJXQMKLYOQ-QGZVFWFLSA-N 1 0 419.570 2.490 20 0 HEADRO C[C@@H](OC(=O)CN(C)[C@H]1CCSC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000767113558 1079666451 /nfs/dbraw/zinc/66/64/51/1079666451.db2.gz WHHVVYZUABTXCI-XLIONFOSSA-N 1 0 419.591 2.136 20 0 HEADRO CCC[C@H]1CN(C(=O)CN2C(=S)N=NC2c2cccs2)CC[N@@H+]1CCOC ZINC000767121566 1079688542 /nfs/dbraw/zinc/68/85/42/1079688542.db2.gz BIELODOBGVHRBR-AWEZNQCLSA-N 1 0 409.581 2.255 20 0 HEADRO CCC[C@@H]1CN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CC[N@@H+]1CCOC ZINC000767123396 1079689892 /nfs/dbraw/zinc/68/98/92/1079689892.db2.gz OXYGOLPMEUIVGO-QGZVFWFLSA-N 1 0 418.506 2.397 20 0 HEADRO CCC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC[N@@H+]1CCOC ZINC000767123258 1079690208 /nfs/dbraw/zinc/69/02/08/1079690208.db2.gz NHLMGJSQOORZQB-CABCVRRESA-N 1 0 409.449 2.109 20 0 HEADRO CCC[C@H]1CN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1CCOC ZINC000767124140 1079691865 /nfs/dbraw/zinc/69/18/65/1079691865.db2.gz VXJSRFOCZWVXQI-BLRBJFNZSA-N 1 0 409.552 2.031 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000767128533 1079694616 /nfs/dbraw/zinc/69/46/16/1079694616.db2.gz KLFMXULATPAMNW-UHFFFAOYSA-N 1 0 411.543 2.460 20 0 HEADRO CC(C)[N@@H+](Cc1ccc(N2C(=O)[C@@H]3C[C@@H](O)CN3C2=O)cc1)C[C@@H]1CCCCO1 ZINC000772101291 1079703280 /nfs/dbraw/zinc/70/32/80/1079703280.db2.gz RYWFOIRGXGPOQY-AABGKKOBSA-N 1 0 401.507 2.368 20 0 HEADRO COCCC[NH+]1CCC(NC(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)CC1 ZINC000772072186 1079709228 /nfs/dbraw/zinc/70/92/28/1079709228.db2.gz SDRKFUKJFCQJMF-KRWDZBQOSA-N 1 0 415.600 2.346 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3ccc(N)c(Cl)n3)cc2)CC1 ZINC000772075643 1079710620 /nfs/dbraw/zinc/71/06/20/1079710620.db2.gz ONVQQWOLDIGQND-UHFFFAOYSA-N 1 0 417.897 2.255 20 0 HEADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000804347390 1079719384 /nfs/dbraw/zinc/71/93/84/1079719384.db2.gz KFZHGRGHTZREOQ-UHFFFAOYSA-N 1 0 405.367 2.364 20 0 HEADRO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000767205994 1079735480 /nfs/dbraw/zinc/73/54/80/1079735480.db2.gz YHRWYMPZICKVCM-HXUWFJFHSA-N 1 0 404.555 2.033 20 0 HEADRO Cc1c[nH]cc(C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1=O ZINC000772263227 1079767760 /nfs/dbraw/zinc/76/77/60/1079767760.db2.gz KGHISKDMZZCIOP-UHFFFAOYSA-N 1 0 401.488 2.028 20 0 HEADRO C[N@H+](CC1CCOCC1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170040291 1079768417 /nfs/dbraw/zinc/76/84/17/1079768417.db2.gz ZOLVSDUOCXEQRQ-SJORKVTESA-N 1 0 413.584 2.256 20 0 HEADRO O=C(CCS(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OCc1ccccc1 ZINC000767303394 1079802148 /nfs/dbraw/zinc/80/21/48/1079802148.db2.gz SEIKBVQMKBHQTK-UYAOXDASSA-N 1 0 406.548 2.398 20 0 HEADRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000772313394 1079804627 /nfs/dbraw/zinc/80/46/27/1079804627.db2.gz ADIHWTSLDIXRTE-NEPJUHHUSA-N 1 0 410.437 2.094 20 0 HEADRO C[C@@H]1CN(c2ccnc(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2)C[C@H](C)O1 ZINC000772279799 1079808753 /nfs/dbraw/zinc/80/87/53/1079808753.db2.gz WWEBSNVIIPRBMI-QKLQHJQFSA-N 1 0 402.539 2.068 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 ZINC000772352269 1079813142 /nfs/dbraw/zinc/81/31/42/1079813142.db2.gz WHYMZVZBEQZGMM-HNNXBMFYSA-N 1 0 404.511 2.281 20 0 HEADRO COC(=O)/C=C/c1ccc(OCC[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000767315910 1079814186 /nfs/dbraw/zinc/81/41/86/1079814186.db2.gz APCPUMUFPLEZMS-WHWKNOJMSA-N 1 0 400.397 2.347 20 0 HEADRO Cc1c(O)ccc2c(C[NH+]3CCC(Oc4ccnc(C(N)=O)c4)CC3)cc(=O)oc12 ZINC000772332142 1079825238 /nfs/dbraw/zinc/82/52/38/1079825238.db2.gz LFVHXKZNVYBISD-UHFFFAOYSA-N 1 0 409.442 2.344 20 0 HEADRO NC(=O)c1cc(OC2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)ccn1 ZINC000772333676 1079827240 /nfs/dbraw/zinc/82/72/40/1079827240.db2.gz RNUPKOZSKACXCG-UHFFFAOYSA-N 1 0 416.909 2.384 20 0 HEADRO O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1C[C@@H](O)c1c(F)cccc1F ZINC000767362285 1079829091 /nfs/dbraw/zinc/82/90/91/1079829091.db2.gz QZXUFJXQKPSLGY-DYESRHJHSA-N 1 0 401.413 2.195 20 0 HEADRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1C[C@H](O)c1cc(F)ccc1F ZINC000767361424 1079829295 /nfs/dbraw/zinc/82/92/95/1079829295.db2.gz OKKIRFAKZFXKLB-RXVVDRJESA-N 1 0 401.413 2.195 20 0 HEADRO CCOCCN(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 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C[C@@H](O)CN(C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)[C@H](C)CO ZINC000785850228 1080280456 /nfs/dbraw/zinc/28/04/56/1080280456.db2.gz WIDUIHYRBZKWNL-QZTJIDSGSA-N 1 0 420.554 2.487 20 0 HEADRO CC(C)O[C@@H]1CC[N@@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170052420 1080295347 /nfs/dbraw/zinc/29/53/47/1080295347.db2.gz SJRLLZZRXXMSIA-BBWFWOEESA-N 1 0 413.584 2.397 20 0 HEADRO C[C@@H](NC(=O)N1CCCC2(C1)OCCO2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000768063810 1080300502 /nfs/dbraw/zinc/30/05/02/1080300502.db2.gz QHIPAEIHUBIZDZ-MRXNPFEDSA-N 1 0 406.502 2.187 20 0 HEADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)([NH+](C)C)C1 ZINC000768041584 1080307604 /nfs/dbraw/zinc/30/76/04/1080307604.db2.gz LGOHKDMOLASHLW-SPLOXXLWSA-N 1 0 406.502 2.093 20 0 HEADRO CC1(C)CC([NH2+]Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC(C)(C)N1O ZINC001169980968 1080322740 /nfs/dbraw/zinc/32/27/40/1080322740.db2.gz OBRYZTORWCBYCO-UHFFFAOYSA-N 1 0 411.568 2.208 20 0 HEADRO Cn1c(=O)cc(C[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)n(C)c1=O ZINC000785964944 1080324558 /nfs/dbraw/zinc/32/45/58/1080324558.db2.gz NSKSTCPRAXUJSS-UHFFFAOYSA-N 1 0 405.498 2.235 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)C1 ZINC000746570337 1080336101 /nfs/dbraw/zinc/33/61/01/1080336101.db2.gz OLSUOVKGWFZYHS-PZJWPPBQSA-N 1 0 400.523 2.170 20 0 HEADRO CC[C@@]1(C)CN(C(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CCO1 ZINC000786012430 1080336458 /nfs/dbraw/zinc/33/64/58/1080336458.db2.gz URIQQLHABQLOLJ-QFIPXVFZSA-N 1 0 402.539 2.183 20 0 HEADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)[NH+](C)C ZINC000786025508 1080339939 /nfs/dbraw/zinc/33/99/39/1080339939.db2.gz PIYOEEAUTFBLFX-JXFKEZNVSA-N 1 0 410.518 2.443 20 0 HEADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC[N@@H+]3CCCC(C)(C)C3)C2=O)cc1 ZINC000768110307 1080345400 /nfs/dbraw/zinc/34/54/00/1080345400.db2.gz QFVGLCYTCWDAKV-QFIPXVFZSA-N 1 0 400.523 2.000 20 0 HEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768145296 1080353393 /nfs/dbraw/zinc/35/33/93/1080353393.db2.gz DVPAEIHYBDQRLU-OOKSDGMUSA-N 1 0 407.555 2.249 20 0 HEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)C1 ZINC000768149789 1080356440 /nfs/dbraw/zinc/35/64/40/1080356440.db2.gz JFJFPHHBDCXEHF-OAHLLOKOSA-N 1 0 420.529 2.483 20 0 HEADRO CCN(CCC[NH+](C)C)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170054318 1080367179 /nfs/dbraw/zinc/36/71/79/1080367179.db2.gz FMIVBZQRLRGNOJ-SJORKVTESA-N 1 0 414.616 2.171 20 0 HEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)C1 ZINC000746571245 1080382097 /nfs/dbraw/zinc/38/20/97/1080382097.db2.gz UWIGMCWSOARIAI-XPFMCRKWSA-N 1 0 416.501 2.078 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768168411 1080382370 /nfs/dbraw/zinc/38/23/70/1080382370.db2.gz YTMWTMLEJLTKNH-LLVKDONJSA-N 1 0 403.708 2.427 20 0 HEADRO CS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)C1 ZINC000768174408 1080385572 /nfs/dbraw/zinc/38/55/72/1080385572.db2.gz PBVLPTMKYDJOCW-ZBFHGGJFSA-N 1 0 406.552 2.224 20 0 HEADRO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000786088579 1080388420 /nfs/dbraw/zinc/38/84/20/1080388420.db2.gz DKXUKAVPHSUBCF-HXUWFJFHSA-N 1 0 411.502 2.085 20 0 HEADRO C[NH+]1CCC(CNC(=S)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000786089994 1080389718 /nfs/dbraw/zinc/38/97/18/1080389718.db2.gz UBWYZKQZAKFHRE-UHFFFAOYSA-N 1 0 422.546 2.285 20 0 HEADRO COc1ccccc1N1CC[C@H](OC(=O)CC2([NH+]3CCOCC3)CCCC2)C1=O ZINC000786096649 1080391299 /nfs/dbraw/zinc/39/12/99/1080391299.db2.gz NFQYDHSMGSVKMU-IBGZPJMESA-N 1 0 402.491 2.379 20 0 HEADRO O=C(COC(=O)CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCOc2ccccc21 ZINC000786099307 1080394696 /nfs/dbraw/zinc/39/46/96/1080394696.db2.gz HWDCKALMNASMPE-SFHVURJKSA-N 1 0 402.491 2.205 20 0 HEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)Cc3ccc(Cl)cn3)c2)C1 ZINC000786116030 1080408855 /nfs/dbraw/zinc/40/88/55/1080408855.db2.gz AWPVJAWBYAWJIS-QGZVFWFLSA-N 1 0 400.910 2.291 20 0 HEADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)[C@@H](C)N1CCOCC1 ZINC000768217294 1080421632 /nfs/dbraw/zinc/42/16/32/1080421632.db2.gz LXBINDHEIJJLML-HDAAZOAOSA-N 1 0 405.539 2.111 20 0 HEADRO COCCN1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768220218 1080424521 /nfs/dbraw/zinc/42/45/21/1080424521.db2.gz OSOBILGBEXIHQN-NRSPTQNISA-N 1 0 405.539 2.113 20 0 HEADRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 ZINC000768222631 1080426842 /nfs/dbraw/zinc/42/68/42/1080426842.db2.gz YLCDYHFLXDDNRC-NZSAHSFTSA-N 1 0 405.495 2.233 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000786161864 1080433408 /nfs/dbraw/zinc/43/34/08/1080433408.db2.gz DEDDYQRHMDNMSN-SJORKVTESA-N 1 0 411.955 2.206 20 0 HEADRO 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 ZINC000768248104 1080439026 /nfs/dbraw/zinc/43/90/26/1080439026.db2.gz JHYCTGWQQVMVLL-AKBNIOSXSA-N 1 0 405.539 2.190 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000768253640 1080443502 /nfs/dbraw/zinc/44/35/02/1080443502.db2.gz MLNZMNWXCCAIRN-PZJWPPBQSA-N 1 0 415.534 2.405 20 0 HEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768258415 1080446649 /nfs/dbraw/zinc/44/66/49/1080446649.db2.gz UBODIGRCHRGCHW-DOEQRONASA-N 1 0 405.539 2.048 20 0 HEADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000786127655 1080447742 /nfs/dbraw/zinc/44/77/42/1080447742.db2.gz XGRQOIWTBQSTTN-JLHYYAGUSA-N 1 0 402.516 2.455 20 0 HEADRO CCCCCC(C)(C)CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000786136757 1080457449 /nfs/dbraw/zinc/45/74/49/1080457449.db2.gz GRFUTCWFCBPRPE-UHFFFAOYSA-N 1 0 403.571 2.172 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)c3nccn4c(Br)cnc34)n2)CC1 ZINC000786195306 1080467727 /nfs/dbraw/zinc/46/77/27/1080467727.db2.gz UBOTWUDKZOEOLJ-UHFFFAOYSA-N 1 0 404.272 2.207 20 0 HEADRO Cc1c(C(=O)NC[C@H](O)c2cccc(C)c2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000768308479 1080477545 /nfs/dbraw/zinc/47/75/45/1080477545.db2.gz SKVROVAJHAAFEL-NRFANRHFSA-N 1 0 405.502 2.335 20 0 HEADRO C[C@@H]1[C@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786174068 1080479456 /nfs/dbraw/zinc/47/94/56/1080479456.db2.gz PBXDXTMWWZTPJP-SJLPKXTDSA-N 1 0 417.554 2.095 20 0 HEADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N[C@H]2CCCC3(C2)OCCO3)c1 ZINC000768324166 1080486392 /nfs/dbraw/zinc/48/63/92/1080486392.db2.gz WQDRYQRKNLWXTR-IBGZPJMESA-N 1 0 421.538 2.129 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000786248104 1080487483 /nfs/dbraw/zinc/48/74/83/1080487483.db2.gz JDYZYJNYLKBYNA-PMACEKPBSA-N 1 0 415.538 2.414 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000786248106 1080488237 /nfs/dbraw/zinc/48/82/37/1080488237.db2.gz JDYZYJNYLKBYNA-VQTJNVASSA-N 1 0 415.538 2.414 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000786249726 1080489063 /nfs/dbraw/zinc/48/90/63/1080489063.db2.gz NCWXQOVHKPAEKQ-UHFFFAOYSA-N 1 0 401.511 2.101 20 0 HEADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000768317735 1080505301 /nfs/dbraw/zinc/50/53/01/1080505301.db2.gz CXPRTGQHJXNPMT-HNNXBMFYSA-N 1 0 423.439 2.418 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 ZINC001169991110 1080514213 /nfs/dbraw/zinc/51/42/13/1080514213.db2.gz SDPNFQPGODEOPY-NRFANRHFSA-N 1 0 419.541 2.302 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000768402802 1080525585 /nfs/dbraw/zinc/52/55/85/1080525585.db2.gz TZZFPDWFIBYRRI-MJGOQNOKSA-N 1 0 424.586 2.129 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H](n2ccc3c2CC[NH2+]C3)C[C@H]1C(=O)N1CCSC1 ZINC001170056795 1080556171 /nfs/dbraw/zinc/55/61/71/1080556171.db2.gz SNLMZZRFLGTZLQ-WBVHZDCISA-N 1 0 406.552 2.217 20 0 HEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000786320538 1080561366 /nfs/dbraw/zinc/56/13/66/1080561366.db2.gz DAUFYPDSFXIBLZ-KBPBESRZSA-N 1 0 416.444 2.292 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000786331280 1080565803 /nfs/dbraw/zinc/56/58/03/1080565803.db2.gz VRJDFPCOHBKQHS-LJQANCHMSA-N 1 0 401.507 2.208 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000786366491 1080572202 /nfs/dbraw/zinc/57/22/02/1080572202.db2.gz BUGPIOCVEJFPQP-NVXWUHKLSA-N 1 0 411.543 2.164 20 0 HEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)C[N@@H+]1C1CC1 ZINC000786409316 1080589843 /nfs/dbraw/zinc/58/98/43/1080589843.db2.gz MCCOASGPHBMNKJ-CVEARBPZSA-N 1 0 422.570 2.072 20 0 HEADRO CCc1ccc([C@@]2(CC)NC(=O)N(CN3CC[C@@H](C[NH+]4CCOCC4)C3)C2=O)cc1 ZINC000768497338 1080593136 /nfs/dbraw/zinc/59/31/36/1080593136.db2.gz UMKGCSSSOWYCHE-WMZHIEFXSA-N 1 0 414.550 2.018 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2nc(-c3cccs3)n(CCC(N)=O)c2=S)C1 ZINC000768503154 1080595827 /nfs/dbraw/zinc/59/58/27/1080595827.db2.gz QLMWFBLAGJEGRL-LSDHHAIUSA-N 1 0 420.608 2.392 20 0 HEADRO CCc1ccc([C@]2(CC)NC(=O)N(CN3CC[NH+](C4CCOCC4)CC3)C2=O)cc1 ZINC000768492443 1080604883 /nfs/dbraw/zinc/60/48/83/1080604883.db2.gz GYRSFNFWCVCPDM-QHCPKHFHSA-N 1 0 414.550 2.160 20 0 HEADRO O=C(CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000768554262 1080624890 /nfs/dbraw/zinc/62/48/90/1080624890.db2.gz GOTCEHHXKMGGQJ-SFHVURJKSA-N 1 0 413.522 2.239 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cccnc1N1CCOCC1 ZINC000768677203 1080685815 /nfs/dbraw/zinc/68/58/15/1080685815.db2.gz VIQGFFUFWZDYEB-IEBWSBKVSA-N 1 0 420.554 2.422 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2csc(-c3ncccc3F)n2)CC1 ZINC000768660566 1080704911 /nfs/dbraw/zinc/70/49/11/1080704911.db2.gz SYLPROAAOAECRH-UHFFFAOYSA-N 1 0 406.483 2.490 20 0 HEADRO COc1cc(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1OC(C)C ZINC000768704244 1080718258 /nfs/dbraw/zinc/71/82/58/1080718258.db2.gz ZBZHLOJXBSKYKQ-UHFFFAOYSA-N 1 0 409.446 2.318 20 0 HEADRO O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000768720518 1080735263 /nfs/dbraw/zinc/73/52/63/1080735263.db2.gz KRVLQIVUKWLDKU-MRXNPFEDSA-N 1 0 419.363 2.074 20 0 HEADRO O=C(NC[C@@H](O)c1ccc2ccccc2c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000768722384 1080738957 /nfs/dbraw/zinc/73/89/57/1080738957.db2.gz RTOHSHUZQBIBMM-HXUWFJFHSA-N 1 0 401.426 2.209 20 0 HEADRO COc1cc(OC)cc([C@@H](O)CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000786687230 1080758064 /nfs/dbraw/zinc/75/80/64/1080758064.db2.gz NRGUJOIGUXFTRP-SFHVURJKSA-N 1 0 403.483 2.022 20 0 HEADRO CN(CCN(C)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C(=O)OC(C)(C)C ZINC000768731961 1080759293 /nfs/dbraw/zinc/75/92/93/1080759293.db2.gz JWVLLRPYDRSGNO-UHFFFAOYSA-N 1 0 404.555 2.373 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3[C@@H]4c5ccccc5C[C@H]34)cc2)CC1 ZINC000768739028 1080763399 /nfs/dbraw/zinc/76/33/99/1080763399.db2.gz PSGASIKBZVLAJT-DNVJHFABSA-N 1 0 418.541 2.469 20 0 HEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 ZINC000746602917 1080799226 /nfs/dbraw/zinc/79/92/26/1080799226.db2.gz JWEOPPVVSXMGML-HNNXBMFYSA-N 1 0 414.472 2.096 20 0 HEADRO CN1CC[NH+](CCCCNC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000786763270 1080805466 /nfs/dbraw/zinc/80/54/66/1080805466.db2.gz GQHKGPMFSLBWOU-UHFFFAOYSA-N 1 0 404.555 2.469 20 0 HEADRO CCOC(CCNC(=O)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)OCC ZINC000786768363 1080809725 /nfs/dbraw/zinc/80/97/25/1080809725.db2.gz KBWXSIRXPYADOK-GOSISDBHSA-N 1 0 405.539 2.015 20 0 HEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nnnn1C1CCCCC1 ZINC000786782449 1080820809 /nfs/dbraw/zinc/82/08/09/1080820809.db2.gz UFRVDMVHTRUXRX-NSHDSACASA-N 1 0 410.466 2.143 20 0 HEADRO Cc1ccc(Br)nc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000786835087 1080829377 /nfs/dbraw/zinc/82/93/77/1080829377.db2.gz YKWPBOJJZRAFKJ-UHFFFAOYSA-N 1 0 404.312 2.229 20 0 HEADRO COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786797686 1080832459 /nfs/dbraw/zinc/83/24/59/1080832459.db2.gz LOZAMVMSVXPHKU-MAUKXSAKSA-N 1 0 415.490 2.324 20 0 HEADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000786799295 1080832838 /nfs/dbraw/zinc/83/28/38/1080832838.db2.gz GMFHUDYJQPDRFE-HNNXBMFYSA-N 1 0 402.520 2.116 20 0 HEADRO O=C(COC(=O)CC[N@@H+]1CCc2ccccc2C1)NCc1cnn(-c2ccccc2)c1 ZINC000786811979 1080839451 /nfs/dbraw/zinc/83/94/51/1080839451.db2.gz ASDMJIZRRYRIKD-UHFFFAOYSA-N 1 0 418.497 2.480 20 0 HEADRO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000786814947 1080840906 /nfs/dbraw/zinc/84/09/06/1080840906.db2.gz DUIJTHDHZLVTDL-LPHOPBHVSA-N 1 0 401.507 2.383 20 0 HEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772691319 1080845394 /nfs/dbraw/zinc/84/53/94/1080845394.db2.gz WYMDQACBOPDRJS-KRWDZBQOSA-N 1 0 416.349 2.333 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000743914107 1080854751 /nfs/dbraw/zinc/85/47/51/1080854751.db2.gz LHBBFDLLWALKMQ-KRWDZBQOSA-N 1 0 404.511 2.373 20 0 HEADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1cnn(-c2ccc(F)cc2)n1 ZINC000768917393 1080855893 /nfs/dbraw/zinc/85/58/93/1080855893.db2.gz KHJRDJXFMKNJBF-DYESRHJHSA-N 1 0 409.465 2.019 20 0 HEADRO O=C(COc1ccc2ccc(=O)oc2c1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000768919485 1080856986 /nfs/dbraw/zinc/85/69/86/1080856986.db2.gz RQNXVABFLMIUBU-TZIWHRDSSA-N 1 0 422.481 2.171 20 0 HEADRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(N2CCNC2=O)cc1 ZINC000786871868 1080863511 /nfs/dbraw/zinc/86/35/11/1080863511.db2.gz OQNXLIMUVXLGSK-AWEZNQCLSA-N 1 0 408.549 2.249 20 0 HEADRO CC(C)Oc1cccc(CNC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000786843270 1080869730 /nfs/dbraw/zinc/86/97/30/1080869730.db2.gz XZOBRPOIRPDNPK-UHFFFAOYSA-N 1 0 410.518 2.266 20 0 HEADRO O=C(Nc1ccc(CN2CCOC2=O)cc1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000768971047 1080870071 /nfs/dbraw/zinc/87/00/71/1080870071.db2.gz VLTCUUMVFNVZBZ-RTBURBONSA-N 1 0 402.495 2.138 20 0 HEADRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769025640 1080888785 /nfs/dbraw/zinc/88/87/85/1080888785.db2.gz UHRVLTBSCFWEJA-KRWDZBQOSA-N 1 0 405.543 2.020 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC(CC[NH+](C)C)CC1 ZINC000768999362 1080895156 /nfs/dbraw/zinc/89/51/56/1080895156.db2.gz WHDYJHNGCMLUQA-MRXNPFEDSA-N 1 0 402.992 2.368 20 0 HEADRO CC(C)(C)OC(=O)NCCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769096124 1080906141 /nfs/dbraw/zinc/90/61/41/1080906141.db2.gz BDXITLAKMMPSSU-RBUKOAKNSA-N 1 0 420.554 2.083 20 0 HEADRO O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000769097556 1080907055 /nfs/dbraw/zinc/90/70/55/1080907055.db2.gz JJZIXITYICKTSW-KBAYOESNSA-N 1 0 415.456 2.019 20 0 HEADRO COc1cc(N[C@@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc(OC)c1 ZINC000769098461 1080907895 /nfs/dbraw/zinc/90/78/95/1080907895.db2.gz LUJPPHDFYQWMMO-HGHGUNKESA-N 1 0 418.538 2.153 20 0 HEADRO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC[N@H+](C)Cc1ccc(F)cc1)C2=O ZINC000769064831 1080920311 /nfs/dbraw/zinc/92/03/11/1080920311.db2.gz NAZPGCQVYLPAPH-YCRPNKLZSA-N 1 0 405.470 2.301 20 0 HEADRO O=C(NCc1nnc(-c2ccccc2)[nH]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769121773 1080942516 /nfs/dbraw/zinc/94/25/16/1080942516.db2.gz TWWSMQPQSZNUMK-WOJBJXKFSA-N 1 0 420.517 2.154 20 0 HEADRO CC1(C)CC([N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)CC(C)(C)N1O ZINC001170000281 1080944977 /nfs/dbraw/zinc/94/49/77/1080944977.db2.gz CLBWJNQUFRYTNW-GCJKJVERSA-N 1 0 409.571 2.270 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)[nH]n2)C1 ZINC000787022834 1080954119 /nfs/dbraw/zinc/95/41/19/1080954119.db2.gz KQMWSOFZUVOIQT-XHSDSOJGSA-N 1 0 403.527 2.491 20 0 HEADRO Cn1nc(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c2ccccc21 ZINC000769192720 1080966664 /nfs/dbraw/zinc/96/66/64/1080966664.db2.gz XQPZCMLLDCUDFP-INIZCTEOSA-N 1 0 415.538 2.426 20 0 HEADRO CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192218 1080968057 /nfs/dbraw/zinc/96/80/57/1080968057.db2.gz KECCQLGKPLKPES-MRXNPFEDSA-N 1 0 421.586 2.398 20 0 HEADRO CN(C(=O)OC(C)(C)C)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000769153734 1080972210 /nfs/dbraw/zinc/97/22/10/1080972210.db2.gz JYZZLESIGGHKPU-MOPGFXCFSA-N 1 0 424.586 2.405 20 0 HEADRO CN(C(=O)OC(C)(C)C)C1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000769153737 1080972296 /nfs/dbraw/zinc/97/22/96/1080972296.db2.gz JYZZLESIGGHKPU-OALUTQOASA-N 1 0 424.586 2.405 20 0 HEADRO CNC(=O)c1ccc(CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C2CC2)cc1 ZINC000769152987 1080973699 /nfs/dbraw/zinc/97/36/99/1080973699.db2.gz WFUPDGQPAHAOLP-NHCUHLMSSA-N 1 0 414.550 2.098 20 0 HEADRO CN(C[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)OC(C)(C)C ZINC000769157095 1080976353 /nfs/dbraw/zinc/97/63/53/1080976353.db2.gz TUTNSOOXEGQXBE-IPMKNSEASA-N 1 0 424.586 2.405 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C2=O)cc1 ZINC000769160486 1080978248 /nfs/dbraw/zinc/97/82/48/1080978248.db2.gz IRNCBDYGIXXGGR-ACRUOGEOSA-N 1 0 414.550 2.167 20 0 HEADRO CCOC(=O)N(C)C1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000769162500 1080980214 /nfs/dbraw/zinc/98/02/14/1080980214.db2.gz PMTWTXHOCZZEKE-RBUKOAKNSA-N 1 0 410.559 2.017 20 0 HEADRO [NH3+]CCN(c1ccc(Cn2cncn2)cc1)S(=O)(=O)c1cccc2cnccc21 ZINC001170067206 1081002304 /nfs/dbraw/zinc/00/23/04/1081002304.db2.gz ZROHGVUNNNMNJC-UHFFFAOYSA-N 1 0 408.487 2.029 20 0 HEADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000787109200 1081003878 /nfs/dbraw/zinc/00/38/78/1081003878.db2.gz QUWXVZTYHFYDRD-WBVHZDCISA-N 1 0 422.595 2.293 20 0 HEADRO O=C(NCCCCCc1ccc(F)cc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787112764 1081005057 /nfs/dbraw/zinc/00/50/57/1081005057.db2.gz DSCGSQSOCMXVER-OAQYLSRUSA-N 1 0 419.541 2.414 20 0 HEADRO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787112789 1081005148 /nfs/dbraw/zinc/00/51/48/1081005148.db2.gz DWBLWVPCXWFXPD-CEQIKUNHSA-N 1 0 417.525 2.325 20 0 HEADRO Cc1cccc(C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000787113539 1081005773 /nfs/dbraw/zinc/00/57/73/1081005773.db2.gz GTALZJPNPFBUSA-FQEVSTJZSA-N 1 0 401.551 2.148 20 0 HEADRO CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787122505 1081010006 /nfs/dbraw/zinc/01/00/06/1081010006.db2.gz INAYUELNTJEVMB-MJGOQNOKSA-N 1 0 417.550 2.411 20 0 HEADRO CC(C)CN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787099606 1081012196 /nfs/dbraw/zinc/01/21/96/1081012196.db2.gz AVFANRZJNRROGG-QFIPXVFZSA-N 1 0 415.578 2.473 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000769241467 1081013371 /nfs/dbraw/zinc/01/33/71/1081013371.db2.gz SMOHXXCEJUDANH-GOSISDBHSA-N 1 0 408.587 2.310 20 0 HEADRO Cc1ccc(C[C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000787102956 1081014468 /nfs/dbraw/zinc/01/44/68/1081014468.db2.gz HLTDTEQORDTXPR-YADHBBJMSA-N 1 0 413.562 2.288 20 0 HEADRO Cc1ccc(SC[C@@H](C)NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000787103974 1081015143 /nfs/dbraw/zinc/01/51/43/1081015143.db2.gz DWVNHNPSOUCXCG-IEBWSBKVSA-N 1 0 419.591 2.351 20 0 HEADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[C@@H]1c1ccccc1 ZINC000787105247 1081015809 /nfs/dbraw/zinc/01/58/09/1081015809.db2.gz KUKOZGNPNQVFCT-QIJUGHKUSA-N 1 0 413.562 2.398 20 0 HEADRO Cc1[nH]c2ccc(CNC(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1C ZINC000787107513 1081018412 /nfs/dbraw/zinc/01/84/12/1081018412.db2.gz MTALEBAQPXQMSL-IBGZPJMESA-N 1 0 412.534 2.161 20 0 HEADRO CC(C)(CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000787107206 1081018571 /nfs/dbraw/zinc/01/85/71/1081018571.db2.gz PPCCITHSLGKRSN-KRWDZBQOSA-N 1 0 421.969 2.493 20 0 HEADRO CSc1cc(C)ccc1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787130975 1081020126 /nfs/dbraw/zinc/02/01/26/1081020126.db2.gz QUKUEEYFBSUVIC-GOSISDBHSA-N 1 0 405.564 2.093 20 0 HEADRO C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](c2ccco2)C1 ZINC000787135538 1081021798 /nfs/dbraw/zinc/02/17/98/1081021798.db2.gz ACNQVBVSXXKKFF-NEWSRXKRSA-N 1 0 403.523 2.339 20 0 HEADRO O=C(NCCSC(F)(F)F)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000787138623 1081023713 /nfs/dbraw/zinc/02/37/13/1081023713.db2.gz VCGAWRSWYPZBJK-UHFFFAOYSA-N 1 0 407.433 2.276 20 0 HEADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000787143826 1081026877 /nfs/dbraw/zinc/02/68/77/1081026877.db2.gz MQWIXJOPMDZVDO-JOCHJYFZSA-N 1 0 424.545 2.053 20 0 HEADRO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000769276973 1081027916 /nfs/dbraw/zinc/02/79/16/1081027916.db2.gz PPUAFIFWSNKYBG-IRXDYDNUSA-N 1 0 413.584 2.400 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)CC1 ZINC000787144963 1081028347 /nfs/dbraw/zinc/02/83/47/1081028347.db2.gz TWCHTQSTFQSZIJ-GOSISDBHSA-N 1 0 409.530 2.445 20 0 HEADRO CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CSCCS3)cc2)CC1 ZINC000787155422 1081033052 /nfs/dbraw/zinc/03/30/52/1081033052.db2.gz DBBAVLFONSEGOO-LJQANCHMSA-N 1 0 421.632 2.500 20 0 HEADRO CCN(Cc1ccccc1Cl)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787126718 1081035277 /nfs/dbraw/zinc/03/52/77/1081035277.db2.gz SECLLSRDPRUOFJ-SFHVURJKSA-N 1 0 407.942 2.448 20 0 HEADRO Cc1ccc(C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000787125939 1081035404 /nfs/dbraw/zinc/03/54/04/1081035404.db2.gz QTKOHXARGIIDKH-HXUWFJFHSA-N 1 0 401.551 2.148 20 0 HEADRO CC(C)(CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000787129889 1081036247 /nfs/dbraw/zinc/03/62/47/1081036247.db2.gz 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CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5ncccc5nc4Cl)C3)O2)CC1 ZINC001164890345 721410541 /nfs/dbraw/zinc/41/05/41/721410541.db2.gz SEAQAUFVAKZWBI-KKSFZXQISA-N 1 0 416.957 2.444 20 0 HEADRO COc1nc(Cl)nc(C)c1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883609 721411164 /nfs/dbraw/zinc/41/11/64/721411164.db2.gz BFUZZIYGYTVIDV-OXQOHEQNSA-N 1 0 409.962 2.212 20 0 HEADRO COc1ccc2nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ncc2c1 ZINC001164884126 721415450 /nfs/dbraw/zinc/41/54/50/721415450.db2.gz DEHXBXNFUZSWQT-NZQKXSOJSA-N 1 0 411.550 2.404 20 0 HEADRO COC(=O)c1ccc(Cl)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890934 721416184 /nfs/dbraw/zinc/41/61/84/721416184.db2.gz UJFJJVUNZIFDED-KKSFZXQISA-N 1 0 422.957 2.287 20 0 HEADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164893801 721426390 /nfs/dbraw/zinc/42/63/90/721426390.db2.gz KQVGENRTOLADHK-AUSIDOKSSA-N 1 0 416.566 2.332 20 0 HEADRO Cc1noc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2)n1 ZINC001164894327 721437968 /nfs/dbraw/zinc/43/79/68/721437968.db2.gz LPIJIPIPPTVKOB-UGKGYDQZSA-N 1 0 412.538 2.205 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccccn5)ncn4)C3)O2)CC1 ZINC001164894861 721438014 /nfs/dbraw/zinc/43/80/14/721438014.db2.gz MSRZEOKWFWJRRD-WMZHIEFXSA-N 1 0 408.550 2.304 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccncc5)ncn4)C3)O2)CC1 ZINC001164888704 721438276 /nfs/dbraw/zinc/43/82/76/721438276.db2.gz AMYHEUIOORXULK-REWPJTCUSA-N 1 0 408.550 2.304 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@@H](F)Oc4ccc(Cl)nn4)C3)O2)CC1 ZINC001164892109 721452547 /nfs/dbraw/zinc/45/25/47/721452547.db2.gz XEOAGZFJGOBOJZ-IPELMVKDSA-N 1 0 413.925 2.023 20 0 HEADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(OC)c(OC)n1)CC2 ZINC001164789364 721459389 /nfs/dbraw/zinc/45/93/89/721459389.db2.gz XJGUNJQIHFPCGU-SFHVURJKSA-N 1 0 420.554 2.228 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(OCc4ccccc4)cnn2)CC3)CC1 ZINC001164798316 721515173 /nfs/dbraw/zinc/51/51/73/721515173.db2.gz RXTWAEXOGKXFGB-UHFFFAOYSA-N 1 0 419.533 2.020 20 0 HEADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164908224 721530186 /nfs/dbraw/zinc/53/01/86/721530186.db2.gz POALPXCXFKFBDD-FUHWJXTLSA-N 1 0 400.454 2.443 20 0 HEADRO CON(C)C(=O)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907791 721547169 /nfs/dbraw/zinc/54/71/69/721547169.db2.gz OOPCMLZOWQMPBI-FUHWJXTLSA-N 1 0 400.454 2.196 20 0 HEADRO CCOC(=O)Cc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164802427 721555615 /nfs/dbraw/zinc/55/56/15/721555615.db2.gz IPRQLGNBRDXVPI-ZRCGQRJVSA-N 1 0 410.518 2.450 20 0 HEADRO CCOC(=O)Cc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164802424 721555841 /nfs/dbraw/zinc/55/58/41/721555841.db2.gz IPRQLGNBRDXVPI-SXWKCWPCSA-N 1 0 410.518 2.450 20 0 HEADRO CCNC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164908047 721567769 /nfs/dbraw/zinc/56/77/69/721567769.db2.gz PMKZRUXCKIJNLF-ZBFHGGJFSA-N 1 0 419.888 2.361 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800389 721569958 /nfs/dbraw/zinc/56/99/58/721569958.db2.gz FIOPSKUUKUCOTM-VIZSFHNOSA-N 1 0 409.534 2.181 20 0 HEADRO CCCNC(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164806242 721579455 /nfs/dbraw/zinc/57/94/55/721579455.db2.gz MPCDLZBMPSHFGP-JAXLGGSGSA-N 1 0 409.534 2.485 20 0 HEADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC001164902260 721580615 /nfs/dbraw/zinc/58/06/15/721580615.db2.gz DYLHMPVJEGMYGQ-HSZRJFAPSA-N 1 0 424.549 2.222 20 0 HEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(NC(=O)OC(C)(C)C)ncn2)CC1 ZINC001165007337 721732835 /nfs/dbraw/zinc/73/28/35/721732835.db2.gz BKQXPEUGGYZMQR-UHFFFAOYSA-N 1 0 418.542 2.347 20 0 HEADRO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)C[C@H]32)cc1 ZINC001165016141 721796552 /nfs/dbraw/zinc/79/65/52/721796552.db2.gz CFPCXIUDDIYJRW-FGZHOGPDSA-N 1 0 422.529 2.302 20 0 HEADRO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)C[C@@H]32)cc1 ZINC001165016144 721796670 /nfs/dbraw/zinc/79/66/70/721796670.db2.gz CFPCXIUDDIYJRW-VXKWHMMOSA-N 1 0 422.529 2.302 20 0 HEADRO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc(C[N@H+](C)C5CC5)cn4)C[C@H]32)cc1 ZINC001165027461 721796802 /nfs/dbraw/zinc/79/68/02/721796802.db2.gz VUWOVKCVMIPSMJ-FGZHOGPDSA-N 1 0 422.529 2.301 20 0 HEADRO Cc1cc2c(c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n1)C(=O)NC2=O ZINC001165024543 721822704 /nfs/dbraw/zinc/82/27/04/721822704.db2.gz KKBPGGJYWUMXQA-ZYSHUDEJSA-N 1 0 405.502 2.406 20 0 HEADRO COC(=O)c1cnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165020252 721838869 /nfs/dbraw/zinc/83/88/69/721838869.db2.gz GQZYJJOOWWFGHB-UHFFFAOYSA-N 1 0 400.479 2.381 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001164925325 721852693 /nfs/dbraw/zinc/85/26/93/721852693.db2.gz DYNPNBXLOPKBQD-GOTSBHOMSA-N 1 0 406.578 2.250 20 0 HEADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164934799 721878018 /nfs/dbraw/zinc/87/80/18/721878018.db2.gz UHUWOAUJQAFOLS-HUUCEWRRSA-N 1 0 402.873 2.281 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CCc2ccccc21 ZINC001164931464 721878073 /nfs/dbraw/zinc/87/80/73/721878073.db2.gz FNYTWROGVVAKRC-FCHUYYIVSA-N 1 0 405.546 2.499 20 0 HEADRO O=C(CO[C@@H]1CO[C@@]2(CCN(c3ncccc3C[NH+]3CCCC3)C2)C1)N1CCCC1 ZINC001164937913 721919264 /nfs/dbraw/zinc/91/92/64/721919264.db2.gz HIZGNHLCSLKCIR-REWPJTCUSA-N 1 0 414.550 2.054 20 0 HEADRO c1cc2nc(N3CC[NH+](CCc4ccccn4)CC3)nc(N3CCOCC3)c2s1 ZINC001165053559 722010078 /nfs/dbraw/zinc/01/00/78/722010078.db2.gz JRZRATMBSZBHCP-UHFFFAOYSA-N 1 0 410.547 2.288 20 0 HEADRO CC(C)C(=O)N1CCN(c2ccc(C[N@H+](C)C3CC3)cn2)C[C@]2(CCCC(=O)N2)C1 ZINC001164971553 722088523 /nfs/dbraw/zinc/08/85/23/722088523.db2.gz JUBIKRMWSWAFLY-HSZRJFAPSA-N 1 0 413.566 2.019 20 0 HEADRO O=C(c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1)N1CCCC1 ZINC001164981431 722099464 /nfs/dbraw/zinc/09/94/64/722099464.db2.gz LLVVLQIKZOWVDZ-UNMCSNQZSA-N 1 0 421.545 2.440 20 0 HEADRO CCOC(=O)Cc1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985292 722104579 /nfs/dbraw/zinc/10/45/79/722104579.db2.gz WEVGMSOPVAFJHE-SFTDATJTSA-N 1 0 410.518 2.310 20 0 HEADRO O=c1cc2[nH]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)cc-2[nH]1 ZINC001164983085 722121642 /nfs/dbraw/zinc/12/16/42/722121642.db2.gz YDKZQOMDFLCXAY-BEFAXECRSA-N 1 0 413.909 2.352 20 0 HEADRO O=c1cc2[nH]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)cc-2[nH]1 ZINC001164983088 722121760 /nfs/dbraw/zinc/12/17/60/722121760.db2.gz YDKZQOMDFLCXAY-HNAYVOBHSA-N 1 0 413.909 2.352 20 0 HEADRO CN(C)c1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975618 722121969 /nfs/dbraw/zinc/12/19/69/722121969.db2.gz KANJUHDAPJACLS-SJORKVTESA-N 1 0 402.930 2.318 20 0 HEADRO O=C(NC1CC1)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164982008 722123762 /nfs/dbraw/zinc/12/37/62/722123762.db2.gz VPZMTIPEMSQMGB-PZJWPPBQSA-N 1 0 407.518 2.096 20 0 HEADRO CCOC(=O)c1ncnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164981519 722124061 /nfs/dbraw/zinc/12/40/61/722124061.db2.gz UIPHCIZCLLEAKA-RBUKOAKNSA-N 1 0 411.506 2.084 20 0 HEADRO COC(=O)c1cc2c[nH]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc-2n1 ZINC001164980278 722135033 /nfs/dbraw/zinc/13/50/33/722135033.db2.gz MKPOZQCXGRTHOB-UTKZUKDTSA-N 1 0 421.501 2.472 20 0 HEADRO C[N@H+](Cc1ccc(-n2c([C@@H]3COCCN3)nccc2=NCc2ccco2)nc1)C1CC1 ZINC001164986332 722173230 /nfs/dbraw/zinc/17/32/30/722173230.db2.gz JUSCJRVACVLNIT-FQEVSTJZSA-N 1 0 420.517 2.216 20 0 HEADRO NC(=O)[C@@H]1CCCN1c1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncn1 ZINC001164996960 722210568 /nfs/dbraw/zinc/21/05/68/722210568.db2.gz PFSKMAQABXDRNP-CVDCTZTESA-N 1 0 424.524 2.315 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3cnccc31)CCC2 ZINC001165000987 722252159 /nfs/dbraw/zinc/25/21/59/722252159.db2.gz XTWMCTLIPVWIEK-UHFFFAOYSA-N 1 0 401.902 2.363 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000745453778 1078489259 /nfs/dbraw/zinc/48/92/59/1078489259.db2.gz GKIINMFNKKQOQG-QGZVFWFLSA-N 1 0 411.543 2.308 20 0 HEADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000745456335 1078490846 /nfs/dbraw/zinc/49/08/46/1078490846.db2.gz YOYUOIQZUIKNEO-AQTBWJFISA-N 1 0 409.939 2.442 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000745493841 1078508621 /nfs/dbraw/zinc/50/86/21/1078508621.db2.gz YOPZYEFGVSKYBV-UHFFFAOYSA-N 1 0 401.507 2.110 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000769708741 1078531051 /nfs/dbraw/zinc/53/10/51/1078531051.db2.gz XKKYDMSCCROGOO-UHFFFAOYSA-N 1 0 401.960 2.442 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000769759322 1078543159 /nfs/dbraw/zinc/54/31/59/1078543159.db2.gz ZPLBZCUIYHJSJS-BLLLJJGKSA-N 1 0 415.353 2.409 20 0 HEADRO O=C(CC[NH+]1CCC(O)(c2ccccc2Cl)CC1)NC(=O)NCC(F)(F)F ZINC000769816851 1078559818 /nfs/dbraw/zinc/55/98/18/1078559818.db2.gz VWRVLHXNLPRVAV-UHFFFAOYSA-N 1 0 407.820 2.402 20 0 HEADRO CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1=O ZINC000769778825 1078562542 /nfs/dbraw/zinc/56/25/42/1078562542.db2.gz OOXXYIUNYVKONP-UHFFFAOYSA-N 1 0 420.513 2.460 20 0 HEADRO NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCC3(CC3)CC2)O1 ZINC001109541721 1078585490 /nfs/dbraw/zinc/58/54/90/1078585490.db2.gz JTNQSXHLUMEDRD-SLHNCBLASA-N 1 0 403.567 2.491 20 0 HEADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2=NN(CC(C)C)C(=O)CC2)cc1 ZINC000766333866 1078586432 /nfs/dbraw/zinc/58/64/32/1078586432.db2.gz OGBYUEGNBAHGLY-UHFFFAOYSA-N 1 0 415.538 2.331 20 0 HEADRO Cc1ccc2c(CCC(=O)OCC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)c[nH]c2c1 ZINC000745761549 1078628087 /nfs/dbraw/zinc/62/80/87/1078628087.db2.gz UFEWNRRHWFEWES-LJQANCHMSA-N 1 0 415.534 2.425 20 0 HEADRO CCC[C@@]1(CO)CCC[N@@H+]1CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000769914288 1078632650 /nfs/dbraw/zinc/63/26/50/1078632650.db2.gz YIAIICAIMCEWKK-UGKGYDQZSA-N 1 0 401.507 2.485 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000745745177 1078632947 /nfs/dbraw/zinc/63/29/47/1078632947.db2.gz YDGXPFIAPPPNHR-IBGZPJMESA-N 1 0 415.582 2.276 20 0 HEADRO C[C@@H](NC(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1)C(=O)N1CCCCC1 ZINC000769919584 1078634797 /nfs/dbraw/zinc/63/47/97/1078634797.db2.gz ACSNJHSZHSJZBZ-SJLPKXTDSA-N 1 0 424.586 2.177 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000769920037 1078635389 /nfs/dbraw/zinc/63/53/89/1078635389.db2.gz LOIWFUFFIJONGD-DOTOQJQBSA-N 1 0 403.589 2.331 20 0 HEADRO C[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1)C[NH+]1CCN(C)CC1 ZINC000745781127 1078640825 /nfs/dbraw/zinc/64/08/25/1078640825.db2.gz WSLJEPXEKVMUOL-QZTJIDSGSA-N 1 0 401.555 2.057 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000745782681 1078641923 /nfs/dbraw/zinc/64/19/23/1078641923.db2.gz VUHAWIWFKNNFOC-ZWKOTPCHSA-N 1 0 417.554 2.277 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000745782677 1078642053 /nfs/dbraw/zinc/64/20/53/1078642053.db2.gz VUHAWIWFKNNFOC-MSOLQXFVSA-N 1 0 417.554 2.277 20 0 HEADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)C1 ZINC000769944705 1078647647 /nfs/dbraw/zinc/64/76/47/1078647647.db2.gz WPFHMLGFQRWIMH-LJQANCHMSA-N 1 0 424.586 2.083 20 0 HEADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CCC3(C2)OCCO3)CC1 ZINC000745794847 1078651018 /nfs/dbraw/zinc/65/10/18/1078651018.db2.gz PGIGDRMIARKENL-MRXNPFEDSA-N 1 0 406.502 2.187 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)cc1 ZINC000745796496 1078651120 /nfs/dbraw/zinc/65/11/20/1078651120.db2.gz TZLHJTRPWKOJSV-PZJWPPBQSA-N 1 0 415.582 2.206 20 0 HEADRO COc1ccccc1COC1CC[NH+](CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000769958937 1078653006 /nfs/dbraw/zinc/65/30/06/1078653006.db2.gz WNYGITDGLODCEZ-UHFFFAOYSA-N 1 0 404.507 2.042 20 0 HEADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000769975365 1078670777 /nfs/dbraw/zinc/67/07/77/1078670777.db2.gz SPASNBHXMDQTTI-JXXFODFXSA-N 1 0 423.517 2.359 20 0 HEADRO Cn1cc([C@H](O)CNC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000745821081 1078663871 /nfs/dbraw/zinc/66/38/71/1078663871.db2.gz VYOCYAGSGVPMLE-DLBZAZTESA-N 1 0 411.428 2.046 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)C2=O)cc1 ZINC000745824716 1078664868 /nfs/dbraw/zinc/66/48/68/1078664868.db2.gz LGCICOFKERESGP-NHCUHLMSSA-N 1 0 414.550 2.433 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000745824570 1078664967 /nfs/dbraw/zinc/66/49/67/1078664967.db2.gz KBBJXSUXDXTBFB-HXUWFJFHSA-N 1 0 424.549 2.038 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCc2ccccn2)C[C@H]1C(=O)N1CCSC1 ZINC001170012101 1078668922 /nfs/dbraw/zinc/66/89/22/1078668922.db2.gz UFLYWLUHQUJCQN-IRXDYDNUSA-N 1 0 406.552 2.125 20 0 HEADRO COC(=O)[C@]1(NC(=O)c2cc3c(cc2O)OCO3)CCC[N@H+](Cc2ccccc2)C1 ZINC000769977407 1078671711 /nfs/dbraw/zinc/67/17/11/1078671711.db2.gz DIGXNDDZHVJZLC-QFIPXVFZSA-N 1 0 412.442 2.059 20 0 HEADRO O=C(NCc1ccc(-n2ccnc2)nc1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769983044 1078673783 /nfs/dbraw/zinc/67/37/83/1078673783.db2.gz LBHBZASDCWTNQT-UHFFFAOYSA-N 1 0 418.501 2.161 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000745861217 1078676601 /nfs/dbraw/zinc/67/66/01/1078676601.db2.gz ANABWEVVXNSVPV-YJBOKZPZSA-N 1 0 416.488 2.312 20 0 HEADRO C[C@H](CNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000745862735 1078677692 /nfs/dbraw/zinc/67/76/92/1078677692.db2.gz NVQBYAKOEBJQHP-DYVFJYSZSA-N 1 0 403.354 2.210 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCCN(c3ccc(C)cc3)CC2)CC1 ZINC000745863214 1078678191 /nfs/dbraw/zinc/67/81/91/1078678191.db2.gz SVIQGQSCJSIBMT-OAQYLSRUSA-N 1 0 401.599 2.490 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC000745863535 1078678314 /nfs/dbraw/zinc/67/83/14/1078678314.db2.gz WPFORRFVQCVUFL-OAHLLOKOSA-N 1 0 416.492 2.085 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000770104641 1078726088 /nfs/dbraw/zinc/72/60/88/1078726088.db2.gz YOAXJDUYQCZVMC-PMACEKPBSA-N 1 0 403.523 2.118 20 0 HEADRO O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000746012127 1078732536 /nfs/dbraw/zinc/73/25/36/1078732536.db2.gz ZFRLUHIVVQUMAV-UHFFFAOYSA-N 1 0 423.435 2.140 20 0 HEADRO CO[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000746047591 1078757196 /nfs/dbraw/zinc/75/71/96/1078757196.db2.gz NFSGQWFXPMZEEM-HXUWFJFHSA-N 1 0 404.555 2.190 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000770176168 1078748698 /nfs/dbraw/zinc/74/86/98/1078748698.db2.gz ZTRMGOWGSLIRNR-QUCCMNQESA-N 1 0 418.582 2.265 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2F)C[C@H](C)O1 ZINC000746041162 1078748947 /nfs/dbraw/zinc/74/89/47/1078748947.db2.gz PVEUSMICDJHKAC-ATLSCFEFSA-N 1 0 418.513 2.073 20 0 HEADRO CC(C)C[C@@H](CCO)CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000746042316 1078750132 /nfs/dbraw/zinc/75/01/32/1078750132.db2.gz XYFYLCAISDWZMU-GOSISDBHSA-N 1 0 418.582 2.316 20 0 HEADRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746049464 1078758323 /nfs/dbraw/zinc/75/83/23/1078758323.db2.gz QARQQWGFDIPBAI-JLTOFOAXSA-N 1 0 408.520 2.338 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000770176169 1078770995 /nfs/dbraw/zinc/77/09/95/1078770995.db2.gz ZTRMGOWGSLIRNR-UYAOXDASSA-N 1 0 418.582 2.265 20 0 HEADRO CC[NH+](CC)CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000770209401 1078788432 /nfs/dbraw/zinc/78/84/32/1078788432.db2.gz NWWFMQQZMXVSKW-LJQANCHMSA-N 1 0 412.893 2.094 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000770274696 1078802620 /nfs/dbraw/zinc/80/26/20/1078802620.db2.gz QMMRFNQLKHFRKX-NVXWUHKLSA-N 1 0 405.470 2.065 20 0 HEADRO CNC(=O)c1cc(Cl)ccc1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000746126539 1078799093 /nfs/dbraw/zinc/79/90/93/1078799093.db2.gz HHMOLCCOSWLYQP-UHFFFAOYSA-N 1 0 401.898 2.245 20 0 HEADRO CCC[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)CC(C)C ZINC000746145906 1078805439 /nfs/dbraw/zinc/80/54/39/1078805439.db2.gz VGXYCYBIVWFSKE-MHWRWJLKSA-N 1 0 407.580 2.499 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(F)cc1Br ZINC000770281926 1078806111 /nfs/dbraw/zinc/80/61/11/1078806111.db2.gz FBOYBLDWCDYNIY-UHFFFAOYSA-N 1 0 423.304 2.090 20 0 HEADRO Cc1cc(NC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000770254492 1078814051 /nfs/dbraw/zinc/81/40/51/1078814051.db2.gz RKHINDQRJPWIND-QFBILLFUSA-N 1 0 415.542 2.169 20 0 HEADRO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000746171386 1078809634 /nfs/dbraw/zinc/80/96/34/1078809634.db2.gz UXPAXHABDUZEEI-GOSISDBHSA-N 1 0 423.517 2.428 20 0 HEADRO CCOC(=O)N1CCCN(C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000746184618 1078812194 /nfs/dbraw/zinc/81/21/94/1078812194.db2.gz AXSHQGMOTLNTCF-UHFFFAOYSA-N 1 0 402.539 2.198 20 0 HEADRO CC[NH+]1CCN(CCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000746160643 1078812666 /nfs/dbraw/zinc/81/26/66/1078812666.db2.gz DZPHYLHEHGASQJ-LJQANCHMSA-N 1 0 404.555 2.396 20 0 HEADRO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000770252654 1078813071 /nfs/dbraw/zinc/81/30/71/1078813071.db2.gz MUGJZBLRXVMZMS-KOLCDFICSA-N 1 0 423.304 2.136 20 0 HEADRO CC[NH+]1CCN(CC(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)CC1 ZINC000746198456 1078816690 /nfs/dbraw/zinc/81/66/90/1078816690.db2.gz UYTFCUXVPPQFIY-UHFFFAOYSA-N 1 0 404.555 2.008 20 0 HEADRO COC(=O)[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)c1cc(F)ccc1F ZINC000746202754 1078817656 /nfs/dbraw/zinc/81/76/56/1078817656.db2.gz SIPCFZUNEDGXEZ-HXUWFJFHSA-N 1 0 417.456 2.356 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCc2ccncc2)C[C@H]1C(=O)N1CCSC1 ZINC001170014019 1078818721 /nfs/dbraw/zinc/81/87/21/1078818721.db2.gz MHCARUBZLSYOKR-IRXDYDNUSA-N 1 0 406.552 2.125 20 0 HEADRO Cn1cc(C(=O)Nc2ccc(OC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)cn1 ZINC000746210652 1078819465 /nfs/dbraw/zinc/81/94/65/1078819465.db2.gz SKDBBCCJMNKPKC-QHCPKHFHSA-N 1 0 420.469 2.215 20 0 HEADRO CC[NH+](CC)CCN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1cccc(Br)c1 ZINC000746189276 1078820113 /nfs/dbraw/zinc/82/01/13/1078820113.db2.gz NPVYYWVBLKYQJO-UHFFFAOYSA-N 1 0 424.299 2.221 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000746234673 1078826539 /nfs/dbraw/zinc/82/65/39/1078826539.db2.gz WATKAQIPTGHSRV-AUSIDOKSSA-N 1 0 417.550 2.387 20 0 HEADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)CC1=O ZINC000746229861 1078822236 /nfs/dbraw/zinc/82/22/36/1078822236.db2.gz UQXIDPYCYPDQJE-LJQANCHMSA-N 1 0 409.486 2.392 20 0 HEADRO CC(C)N1C(=S)N=NC1CCNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000746238505 1078829076 /nfs/dbraw/zinc/82/90/76/1078829076.db2.gz LKTARTLZSBXNOV-UHFFFAOYSA-N 1 0 402.568 2.019 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000746289317 1078837423 /nfs/dbraw/zinc/83/74/23/1078837423.db2.gz BBWJGVRCJACSHA-GOSISDBHSA-N 1 0 417.554 2.013 20 0 HEADRO COCCOc1ccccc1C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000770394821 1078841612 /nfs/dbraw/zinc/84/16/12/1078841612.db2.gz NIWUADGRVOXPSN-UHFFFAOYSA-N 1 0 419.547 2.406 20 0 HEADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000746292430 1078843849 /nfs/dbraw/zinc/84/38/49/1078843849.db2.gz BYAGIZISAJAWSY-VQIMIIECSA-N 1 0 411.550 2.286 20 0 HEADRO Cc1ccc(N2CC[C@@H](NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)C2=O)cc1 ZINC000746298605 1078846417 /nfs/dbraw/zinc/84/64/17/1078846417.db2.gz HAYXXJOBQHUOHD-JOCHJYFZSA-N 1 0 406.530 2.278 20 0 HEADRO COCCN(CC(C)C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746502406 1078848169 /nfs/dbraw/zinc/84/81/69/1078848169.db2.gz OMFTUVOETZJMHC-JOCHJYFZSA-N 1 0 402.539 2.135 20 0 HEADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000746311419 1078851017 /nfs/dbraw/zinc/85/10/17/1078851017.db2.gz OYJAOFDDZLKGDH-VQTJNVASSA-N 1 0 406.546 2.449 20 0 HEADRO COCCOc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1)OCO2 ZINC000770385247 1078848909 /nfs/dbraw/zinc/84/89/09/1078848909.db2.gz JPXNOTJWZOLCSN-QZTJIDSGSA-N 1 0 403.479 2.262 20 0 HEADRO C/C(=C/C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1OC(F)F ZINC000766341068 1078853076 /nfs/dbraw/zinc/85/30/76/1078853076.db2.gz RBECLVDEUCJYDB-XUZQSEFNSA-N 1 0 407.461 2.456 20 0 HEADRO COC(=O)C1=NOC2(C1)CCN(C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC000770435068 1078853121 /nfs/dbraw/zinc/85/31/21/1078853121.db2.gz OYZHEZINIJAVKM-UHFFFAOYSA-N 1 0 418.494 2.333 20 0 HEADRO C[NH+](C)[C@@H]1Cc2ccccc2N(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)C1 ZINC000766342365 1078860142 /nfs/dbraw/zinc/86/01/42/1078860142.db2.gz ZCJGKNNOEHBBOH-MRXNPFEDSA-N 1 0 412.515 2.032 20 0 HEADRO COc1ccc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1N1CCOC1=O ZINC000746330050 1078861183 /nfs/dbraw/zinc/86/11/83/1078861183.db2.gz MINQWZPGHAAWAL-QFIPXVFZSA-N 1 0 411.458 2.227 20 0 HEADRO CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000746332676 1078861873 /nfs/dbraw/zinc/86/18/73/1078861873.db2.gz OOUIGTXITPPMSA-XMSQKQJNSA-N 1 0 403.523 2.091 20 0 HEADRO COC(=O)COc1c(C)cc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1C ZINC000746364135 1078875596 /nfs/dbraw/zinc/87/55/96/1078875596.db2.gz JXEXRMVFNISPKX-OAQYLSRUSA-N 1 0 408.564 2.153 20 0 HEADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000766344538 1078872521 /nfs/dbraw/zinc/87/25/21/1078872521.db2.gz XRUWFAXPCDDEHP-KRWDZBQOSA-N 1 0 415.925 2.213 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000746348880 1078868390 /nfs/dbraw/zinc/86/83/90/1078868390.db2.gz VIGKRYQDVRRRFI-HNNXBMFYSA-N 1 0 413.971 2.394 20 0 HEADRO CC(C)[NH+](CCCNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000746348392 1078868753 /nfs/dbraw/zinc/86/87/53/1078868753.db2.gz UKDGBNFBUQNHFQ-UHFFFAOYSA-N 1 0 422.595 2.473 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000770534719 1078888148 /nfs/dbraw/zinc/88/81/48/1078888148.db2.gz JQMMPGFHIXDLEB-WMZOPIPTSA-N 1 0 411.591 2.005 20 0 HEADRO CCOC(=O)Nc1ccc2c(CN3CC[NH+]([C@H]4CCOC4)CC3)cc(=O)oc2c1 ZINC000770523946 1078883930 /nfs/dbraw/zinc/88/39/30/1078883930.db2.gz JYTUORTUPSQVFR-KRWDZBQOSA-N 1 0 401.463 2.268 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)CC1 ZINC001168779557 1078894059 /nfs/dbraw/zinc/89/40/59/1078894059.db2.gz HSVWKCIWJBXRSR-VXPIIVEXSA-N 1 0 404.507 2.497 20 0 HEADRO O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766364192 1078920410 /nfs/dbraw/zinc/92/04/10/1078920410.db2.gz BVZBDDDBPWJQBM-UHFFFAOYSA-N 1 0 417.531 2.084 20 0 HEADRO CC(C)N(C[C@H](O)COc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000770626210 1078920953 /nfs/dbraw/zinc/92/09/53/1078920953.db2.gz RPDXAGRYJNVGOV-RBBKRZOGSA-N 1 0 419.566 2.490 20 0 HEADRO Cc1ccc(N2CCC[C@@H](NC(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)C2)cc1 ZINC000745811979 1078927309 /nfs/dbraw/zinc/92/73/09/1078927309.db2.gz MVOSECSGOTUXTE-HXUWFJFHSA-N 1 0 415.582 2.206 20 0 HEADRO CCC[C@@H]1CN(CN2C(=O)N[C@](CC)(c3ccccc3)C2=O)CC[N@@H+]1CCOC ZINC000766381186 1078930154 /nfs/dbraw/zinc/93/01/54/1078930154.db2.gz RRDPLVJEVPNPMW-DENIHFKCSA-N 1 0 402.539 2.234 20 0 HEADRO CCC[C@@H]1CN(CN2C(=O)CN(/C=C\c3ccccc3)C2=O)CC[N@@H+]1CCOC ZINC000766383354 1078933338 /nfs/dbraw/zinc/93/33/38/1078933338.db2.gz YHJVXLUHEXJNQC-JPMGXVIASA-N 1 0 400.523 2.312 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 ZINC000770654267 1078940516 /nfs/dbraw/zinc/94/05/16/1078940516.db2.gz GGXNQPATJGOISU-VQIMIIECSA-N 1 0 405.564 2.098 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)CCCOC1 ZINC000770693359 1078961604 /nfs/dbraw/zinc/96/16/04/1078961604.db2.gz SWJMHJOVZUCHFJ-AZUAARDMSA-N 1 0 403.504 2.051 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N[C@H](C)c2ccc(Br)cc2)CCCOC1 ZINC000770699916 1078967693 /nfs/dbraw/zinc/96/76/93/1078967693.db2.gz OWTLGVXCCNAWAF-ACJLOTCBSA-N 1 0 413.312 2.328 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CCCOC1 ZINC000770703401 1078970630 /nfs/dbraw/zinc/97/06/30/1078970630.db2.gz CCRJJPPZGAHSCV-HRAATJIYSA-N 1 0 415.446 2.252 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccc(Br)cc2F)CCCOC1 ZINC000770703204 1078970781 /nfs/dbraw/zinc/97/07/81/1078970781.db2.gz XJQHNZJLGCWSRS-INIZCTEOSA-N 1 0 403.248 2.229 20 0 HEADRO Cc1nc(-c2ccccc2NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)no1 ZINC000746454094 1078983725 /nfs/dbraw/zinc/98/37/25/1078983725.db2.gz PWYOUUQCWYWICN-BEFAXECRSA-N 1 0 409.490 2.459 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N(C)Cc2ccccc2Br)CCCOC1 ZINC000770707792 1078976928 /nfs/dbraw/zinc/97/69/28/1078976928.db2.gz NHWFGGZXIFHBRG-SFHVURJKSA-N 1 0 413.312 2.109 20 0 HEADRO CNC(=O)c1ccc2c(c1)C1(CC[NH+](C3CCC(C)(C(=O)OC)CC3)CC1)C(=O)N2 ZINC001168790594 1078987622 /nfs/dbraw/zinc/98/76/22/1078987622.db2.gz NNDLPWAMZDWYQM-UHFFFAOYSA-N 1 0 413.518 2.454 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2C[C@H](NC(=O)c3cscn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001168790919 1078988883 /nfs/dbraw/zinc/98/88/83/1078988883.db2.gz RXAROMGGGYSNLV-SLJKGOFKSA-N 1 0 407.536 2.227 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)cc1F ZINC000746449839 1078991358 /nfs/dbraw/zinc/99/13/58/1078991358.db2.gz ILSLADWMMUHTRY-DJJJIMSYSA-N 1 0 420.460 2.337 20 0 HEADRO O=C(NCCc1ccc(Cl)nc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804278856 1078994460 /nfs/dbraw/zinc/99/44/60/1078994460.db2.gz LKWWJAVPUYFEAT-GOSISDBHSA-N 1 0 400.910 2.032 20 0 HEADRO COC(=O)C1(C)CCC([NH+]2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 ZINC001168791647 1078994734 /nfs/dbraw/zinc/99/47/34/1078994734.db2.gz ZDVZWBPHOYAYJS-COFLGROHSA-N 1 0 402.491 2.093 20 0 HEADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000766428814 1078997158 /nfs/dbraw/zinc/99/71/58/1078997158.db2.gz LPTVXMHYQJZXMX-IAGOWNOFSA-N 1 0 419.551 2.054 20 0 HEADRO Cn1ncc(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1C1CC1 ZINC000770776743 1079009153 /nfs/dbraw/zinc/00/91/53/1079009153.db2.gz BTMQGSSNNJCMQR-UHFFFAOYSA-N 1 0 405.886 2.469 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(Cl)ccc1Br ZINC000766456719 1079009865 /nfs/dbraw/zinc/00/98/65/1079009865.db2.gz AEJBLPYULPNOHT-NWDGAFQWSA-N 1 0 416.703 2.020 20 0 HEADRO C[N@@H+]1CCC[C@@H](N2CCN(CN3C(=O)NC4(CCC(C(C)(C)C)CC4)C3=O)CC2)C1 ZINC000738214142 1079017016 /nfs/dbraw/zinc/01/70/16/1079017016.db2.gz NIDACQZKKRSPOD-FVRICEFQSA-N 1 0 419.614 2.183 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)[C@@H](C)C1 ZINC000746470489 1079021097 /nfs/dbraw/zinc/02/10/97/1079021097.db2.gz GUAGHUFGFXRCSS-ZFWWWQNUSA-N 1 0 403.495 2.284 20 0 HEADRO CCOC(=O)C1=C(C[NH2+][C@@](C)(CO)C2CCCCC2)NC(=O)N[C@H]1c1ccco1 ZINC000746469832 1079019192 /nfs/dbraw/zinc/01/91/92/1079019192.db2.gz DVAIFKNSZGFOGK-RXVVDRJESA-N 1 0 405.495 2.372 20 0 HEADRO C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000746477814 1079032210 /nfs/dbraw/zinc/03/22/10/1079032210.db2.gz GHRZMODVQRRUGZ-OAHLLOKOSA-N 1 0 423.989 2.478 20 0 HEADRO C/C=C/C[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000770801784 1079024162 /nfs/dbraw/zinc/02/41/62/1079024162.db2.gz MPWBGKBULWJKPO-RCFWFJCLSA-N 1 0 422.957 2.254 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000770802786 1079025757 /nfs/dbraw/zinc/02/57/57/1079025757.db2.gz QREGHYSSTUDBKC-LJQANCHMSA-N 1 0 424.545 2.346 20 0 HEADRO COc1cc(CNC(=O)C[NH2+]C2(C(N)=O)CCCC2)ccc1OCc1ccccc1 ZINC000746475939 1079029799 /nfs/dbraw/zinc/02/97/99/1079029799.db2.gz WONSEVNXMJAOLG-UHFFFAOYSA-N 1 0 411.502 2.278 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000746476164 1079030029 /nfs/dbraw/zinc/03/00/29/1079030029.db2.gz RSKJSJYDWVYJDD-IRXDYDNUSA-N 1 0 401.573 2.133 20 0 HEADRO C[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3ccccn3)CC2)CN1C(=O)OC(C)(C)C ZINC001168822665 1079046476 /nfs/dbraw/zinc/04/64/76/1079046476.db2.gz IRHVSUYWDOLCEP-NVXWUHKLSA-N 1 0 424.567 2.222 20 0 HEADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCCCCCC2)c1 ZINC000804293075 1079048886 /nfs/dbraw/zinc/04/88/86/1079048886.db2.gz DGMGZGOYZDBCRU-UHFFFAOYSA-N 1 0 405.539 2.053 20 0 HEADRO CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1 ZINC001168819361 1079051841 /nfs/dbraw/zinc/05/18/41/1079051841.db2.gz FDWKIEZIBFQCFY-AUUYWEPGSA-N 1 0 413.453 2.018 20 0 HEADRO O=C(CC[NH+]1CCC(OC[C@@H]2CCOC2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC001168860543 1079055631 /nfs/dbraw/zinc/05/56/31/1079055631.db2.gz YRUSPRWVQQYBGM-QGZVFWFLSA-N 1 0 415.534 2.425 20 0 HEADRO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)CN1C(=O)OC(C)(C)C ZINC001168854197 1079053207 /nfs/dbraw/zinc/05/32/07/1079053207.db2.gz GNNIFNZFOPKLHS-XFQAVAEZSA-N 1 0 403.527 2.247 20 0 HEADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000429488846 1079053242 /nfs/dbraw/zinc/05/32/42/1079053242.db2.gz HECCFPMLVAHPOV-ZWKOTPCHSA-N 1 0 415.456 2.241 20 0 HEADRO C[C@@H]1C[C@H](N(C[C@@H]2OC[C@@H]3C[NH2+]CC[C@H]23)c2ncccn2)CN1C(=O)OC(C)(C)C ZINC001168858739 1079054729 /nfs/dbraw/zinc/05/47/29/1079054729.db2.gz QSCNSTARRBESEV-BCYZHJNNSA-N 1 0 417.554 2.305 20 0 HEADRO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CN1C(=O)OC(C)(C)C ZINC001168864080 1079057146 /nfs/dbraw/zinc/05/71/46/1079057146.db2.gz JLCJPQNYGSWSKW-XNGFIGEISA-N 1 0 407.555 2.249 20 0 HEADRO [NH3+]Cc1ccc2ncn(-c3ccc4c(c3)OCCOCCOCCOCCO4)c2c1 ZINC001168848192 1079060788 /nfs/dbraw/zinc/06/07/88/1079060788.db2.gz PQNNIMNTLIXCRS-UHFFFAOYSA-N 1 0 413.474 2.305 20 0 HEADRO CC(C)([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C(=O)NCC1CCCCC1 ZINC001168874079 1079065319 /nfs/dbraw/zinc/06/53/19/1079065319.db2.gz RTBOWBULVAFLGE-GOSISDBHSA-N 1 0 417.550 2.376 20 0 HEADRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000766534131 1079070144 /nfs/dbraw/zinc/07/01/44/1079070144.db2.gz HDPHRKPGFGSZSW-GOEBONIOSA-N 1 0 402.607 2.207 20 0 HEADRO CCC[C@H]1CN(C(=O)CCC(=O)N2CCOc3ccccc32)CC[N@@H+]1CCOC ZINC000766535598 1079070855 /nfs/dbraw/zinc/07/08/55/1079070855.db2.gz QMDQYBVDURSELN-SFHVURJKSA-N 1 0 403.523 2.152 20 0 HEADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000766539547 1079073867 /nfs/dbraw/zinc/07/38/67/1079073867.db2.gz BSYHERNWAGFWAX-LNLFQRSKSA-N 1 0 422.595 2.432 20 0 HEADRO COc1ccc(CN2CC[C@@H](n3ccncc3=N[C@H]3CC[C@H]([NH3+])CC3)CC2=O)cc1 ZINC001168912455 1079073885 /nfs/dbraw/zinc/07/38/85/1079073885.db2.gz BSDUPPMYUKJCIU-VAMGGRTRSA-N 1 0 409.534 2.426 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH2+]CC3CCN(c4ncccn4)CC3)CC2=O)cc1 ZINC001168915980 1079074712 /nfs/dbraw/zinc/07/47/12/1079074712.db2.gz QMKWBXMDYNAWDO-FQEVSTJZSA-N 1 0 409.534 2.482 20 0 HEADRO COC(=O)c1ccc([C@H](CO)[NH2+][C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)cc1 ZINC001168920113 1079075769 /nfs/dbraw/zinc/07/57/69/1079075769.db2.gz LQMJLADWICOYRO-CTNGQTDRSA-N 1 0 412.486 2.296 20 0 HEADRO Cc1ccc(S(=O)(=O)NCCCC(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1C ZINC001168932868 1079078080 /nfs/dbraw/zinc/07/80/80/1079078080.db2.gz WGWCODSWBUJRLZ-NHCUHLMSSA-N 1 0 407.580 2.162 20 0 HEADRO C[NH+]1C[C@]2(C)CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C[C@@]2(C)C1 ZINC001168932557 1079078132 /nfs/dbraw/zinc/07/81/32/1079078132.db2.gz VIJSTWORLJYZRC-ZLGUVYLKSA-N 1 0 418.925 2.345 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(c4nc(C)cc(C)n4)CC3)CC2=O)cc1 ZINC001168943710 1079082186 /nfs/dbraw/zinc/08/21/86/1079082186.db2.gz ZYSKYRGJDSJCAQ-FQEVSTJZSA-N 1 0 409.534 2.415 20 0 HEADRO COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC001168951251 1079085322 /nfs/dbraw/zinc/08/53/22/1079085322.db2.gz YRNZNDBDNIUVRT-LPHOPBHVSA-N 1 0 410.474 2.487 20 0 HEADRO COc1ccc(C(=O)CCC(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c(OC)c1OC ZINC001168929713 1079088156 /nfs/dbraw/zinc/08/81/56/1079088156.db2.gz KCERYUPRMDORDG-FGZHOGPDSA-N 1 0 404.507 2.476 20 0 HEADRO Cc1c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)nnn1CCOc1ccc(F)cc1 ZINC001168931360 1079088648 /nfs/dbraw/zinc/08/86/48/1079088648.db2.gz RBPOGYJIWAOGFL-NHCUHLMSSA-N 1 0 401.486 2.218 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CC[C@H](Oc4ncc(OC)cn4)C3)CC2=O)cc1 ZINC001168956666 1079090785 /nfs/dbraw/zinc/09/07/85/1079090785.db2.gz WTUMFBSROMKPAP-MJGOQNOKSA-N 1 0 412.490 2.138 20 0 HEADRO CC(C)c1ccc(C[C@@H]2CC[N@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)cc1 ZINC001168968661 1079093388 /nfs/dbraw/zinc/09/33/88/1079093388.db2.gz LGBLWLWTQMPFIJ-IBGZPJMESA-N 1 0 421.607 2.215 20 0 HEADRO COC(=O)c1cn([C@H]2CC[N@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)nn1 ZINC001169013732 1079099334 /nfs/dbraw/zinc/09/93/34/1079099334.db2.gz JGAYVAJEXBDEKG-CVEARBPZSA-N 1 0 407.515 2.349 20 0 HEADRO CCCCN(C)CC[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170020336 1079100415 /nfs/dbraw/zinc/10/04/15/1079100415.db2.gz OLFWNCPEZXHCPC-SJORKVTESA-N 1 0 414.616 2.219 20 0 HEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC001169040584 1079107908 /nfs/dbraw/zinc/10/79/08/1079107908.db2.gz GNHFYZMBRPFYIL-CQSZACIVSA-N 1 0 414.333 2.261 20 0 HEADRO CC(C)C[C@H](Cc1ccccc1)N(Cc1cnc2n1CC[NH2+]CC2)S(C)(=O)=O ZINC001169069463 1079122574 /nfs/dbraw/zinc/12/25/74/1079122574.db2.gz DSUFLAKTYCJEAM-LJQANCHMSA-N 1 0 404.580 2.448 20 0 HEADRO COC(=O)[C@H](CCCC[NH2+][C@@H](Cc1ccccc1)CC(C)C)NC(=O)CNC(C)=O ZINC001169070596 1079123894 /nfs/dbraw/zinc/12/38/94/1079123894.db2.gz RXHJLTDGYAKFFI-RTWAWAEBSA-N 1 0 419.566 2.198 20 0 HEADRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1NCc1cc(F)cc2c1OCOC2 ZINC001169096471 1079128110 /nfs/dbraw/zinc/12/81/10/1079128110.db2.gz GQXLIGDZMQNBRE-MSOLQXFVSA-N 1 0 401.438 2.484 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000766590535 1079129563 /nfs/dbraw/zinc/12/95/63/1079129563.db2.gz FFZNRXFNOYQZKW-UHFFFAOYSA-N 1 0 402.539 2.042 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC[C@H]21 ZINC000766584898 1079135028 /nfs/dbraw/zinc/13/50/28/1079135028.db2.gz OVDHQNFHWSOMDO-CRAIPNDOSA-N 1 0 400.523 2.096 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC[C@@H]21 ZINC000766585999 1079135622 /nfs/dbraw/zinc/13/56/22/1079135622.db2.gz ZLZMLPJURUGVJY-PBHICJAKSA-N 1 0 418.925 2.348 20 0 HEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771105809 1079154631 /nfs/dbraw/zinc/15/46/31/1079154631.db2.gz ZGMZKFRLKNUEHF-XCLFUZPHSA-N 1 0 424.904 2.237 20 0 HEADRO Cc1c(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cccc1N1CCOC1=O ZINC000766608601 1079163459 /nfs/dbraw/zinc/16/34/59/1079163459.db2.gz SOMCDJFYLIMHBT-UHFFFAOYSA-N 1 0 414.506 2.367 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccc(Cl)c1 ZINC001169160910 1079170059 /nfs/dbraw/zinc/17/00/59/1079170059.db2.gz MMDCDDVOZKTBOC-CQSZACIVSA-N 1 0 403.914 2.436 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cn(C)c2ccccc12 ZINC001169162714 1079171847 /nfs/dbraw/zinc/17/18/47/1079171847.db2.gz OWKGFDMODFBYPB-INIZCTEOSA-N 1 0 422.533 2.274 20 0 HEADRO Cc1ccc(CC[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1C ZINC001169163882 1079172473 /nfs/dbraw/zinc/17/24/73/1079172473.db2.gz SQFJRVUHEPQSKV-GOSISDBHSA-N 1 0 411.550 2.442 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cnc2ccccc2c1 ZINC001169166272 1079174290 /nfs/dbraw/zinc/17/42/90/1079174290.db2.gz AMITVGSORDGNKS-MRXNPFEDSA-N 1 0 420.517 2.331 20 0 HEADRO COc1cccc([C@@H](C)[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169166860 1079175308 /nfs/dbraw/zinc/17/53/08/1079175308.db2.gz DLYIYNPGABRUTH-HZPDHXFCSA-N 1 0 413.522 2.352 20 0 HEADRO Cc1nc2cc(C[NH2+][C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)ccc2o1 ZINC001169168097 1079176457 /nfs/dbraw/zinc/17/64/57/1079176457.db2.gz MJKXZMIGCBZJKC-AWEZNQCLSA-N 1 0 424.505 2.232 20 0 HEADRO Cc1cccc(C2(C[NH2+][C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)n1 ZINC001169188919 1079177654 /nfs/dbraw/zinc/17/76/54/1079177654.db2.gz BLLYUJKUCWNOEJ-INIZCTEOSA-N 1 0 424.549 2.017 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(OC2CCC2)CC1 ZINC001169190646 1079178412 /nfs/dbraw/zinc/17/84/12/1079178412.db2.gz IUBPJECNOJGLIT-MRXNPFEDSA-N 1 0 417.554 2.026 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C(C)(C)CC1CCOCC1 ZINC001169189382 1079178454 /nfs/dbraw/zinc/17/84/54/1079178454.db2.gz FGBWURZALFHRDM-MRXNPFEDSA-N 1 0 419.570 2.177 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1cccc(F)c1 ZINC001169190380 1079178501 /nfs/dbraw/zinc/17/85/01/1079178501.db2.gz GANYCOLTUNCESG-OAHLLOKOSA-N 1 0 401.486 2.264 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(Cc2ccccn2)CCC1 ZINC001169189257 1079178522 /nfs/dbraw/zinc/17/85/22/1079178522.db2.gz DJIPJDHWJOVGMS-KRWDZBQOSA-N 1 0 424.549 2.143 20 0 HEADRO COCC[S@](=O)Cc1cccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000771155975 1079169769 /nfs/dbraw/zinc/16/97/69/1079169769.db2.gz BBFOBCUBGLGSQI-LJAQVGFWSA-N 1 0 424.611 2.119 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001169194013 1079180832 /nfs/dbraw/zinc/18/08/32/1079180832.db2.gz VADRDYLYKGHOMR-CABCVRRESA-N 1 0 411.497 2.408 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000771165952 1079181141 /nfs/dbraw/zinc/18/11/41/1079181141.db2.gz OOEPLIIWOACQOP-PFUSGODGSA-N 1 0 406.474 2.462 20 0 HEADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771127462 1079182354 /nfs/dbraw/zinc/18/23/54/1079182354.db2.gz LQUFDZGMLZDING-XOBRGWDASA-N 1 0 424.904 2.189 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCc2ccccc2CC1 ZINC001169201262 1079183663 /nfs/dbraw/zinc/18/36/63/1079183663.db2.gz IBFVKMBPHOLJJC-QGZVFWFLSA-N 1 0 409.534 2.093 20 0 HEADRO Cc1nc([C@H](C)[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cs1 ZINC001169169959 1079185494 /nfs/dbraw/zinc/18/54/94/1079185494.db2.gz QQEIWQYTEVGIPQ-OLZOCXBDSA-N 1 0 404.540 2.108 20 0 HEADRO Cc1csc([C@H](C)[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC001169170332 1079186093 /nfs/dbraw/zinc/18/60/93/1079186093.db2.gz UXWMFOHQGVYNGX-OCCSQVGLSA-N 1 0 404.540 2.108 20 0 HEADRO Cc1c(F)cccc1C[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169171520 1079186616 /nfs/dbraw/zinc/18/66/16/1079186616.db2.gz FOEZRBFPBYABSK-CQSZACIVSA-N 1 0 401.486 2.230 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCCc2cccnc21 ZINC001169172485 1079187334 /nfs/dbraw/zinc/18/73/34/1079187334.db2.gz PPZWQTDZAYTCMJ-WBVHZDCISA-N 1 0 410.522 2.055 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000771136061 1079187595 /nfs/dbraw/zinc/18/75/95/1079187595.db2.gz YSVWRVRXLVSCKE-QRVBRYPASA-N 1 0 403.571 2.448 20 0 HEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771137511 1079187683 /nfs/dbraw/zinc/18/76/83/1079187683.db2.gz SONMUVYGWSVMAG-XCLFUZPHSA-N 1 0 424.904 2.093 20 0 HEADRO Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1CC(=O)NC1CC[NH+](C)CC1 ZINC001169178412 1079191894 /nfs/dbraw/zinc/19/18/94/1079191894.db2.gz PYVCYEIWXZVQFC-OAQYLSRUSA-N 1 0 411.550 2.073 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1cc(F)cc(F)c1 ZINC001169179947 1079193059 /nfs/dbraw/zinc/19/30/59/1079193059.db2.gz BVSIXMVRBWYLPC-CQSZACIVSA-N 1 0 419.476 2.103 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1cc(F)cc(F)c1 ZINC001169179946 1079193262 /nfs/dbraw/zinc/19/32/62/1079193262.db2.gz BVSIXMVRBWYLPC-AWEZNQCLSA-N 1 0 419.476 2.103 20 0 HEADRO CS(=O)(=O)N1CCN(c2cccc(NCc3c(Cl)cncc3Cl)[nH+]2)CC1 ZINC001169183078 1079194415 /nfs/dbraw/zinc/19/44/15/1079194415.db2.gz CFTHQABZMHNBBZ-UHFFFAOYSA-N 1 0 416.334 2.477 20 0 HEADRO Cc1cccc(CC[N@@H+](C)[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169208923 1079196634 /nfs/dbraw/zinc/19/66/34/1079196634.db2.gz RXZVARLHLDZFIG-SFHVURJKSA-N 1 0 411.550 2.475 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1cccc(F)c1F ZINC001169213721 1079197165 /nfs/dbraw/zinc/19/71/65/1079197165.db2.gz SFQLOAUCRIWEBN-AWEZNQCLSA-N 1 0 419.476 2.403 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC001169213744 1079197409 /nfs/dbraw/zinc/19/74/09/1079197409.db2.gz SMFSLUOEXAFADJ-SJORKVTESA-N 1 0 409.534 2.439 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1ccc(F)cc1F ZINC001169214178 1079197896 /nfs/dbraw/zinc/19/78/96/1079197896.db2.gz XUYNYBJCRKNSQA-CQSZACIVSA-N 1 0 419.476 2.403 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3COc4ccccc4C3)CC2)CC1 ZINC000771203882 1079203083 /nfs/dbraw/zinc/20/30/83/1079203083.db2.gz KIBYCJFBQLYGPB-LJQANCHMSA-N 1 0 400.567 2.438 20 0 HEADRO Cc1n[nH]cc1NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000771204609 1079203472 /nfs/dbraw/zinc/20/34/72/1079203472.db2.gz UAYWMNVIEZDRFP-UHFFFAOYSA-N 1 0 412.494 2.500 20 0 HEADRO COc1cccnc1CNc1nccc(C[N@@H+]2CC[C@@H](CO)C2)c1C(OC)OC ZINC001169205982 1079205293 /nfs/dbraw/zinc/20/52/93/1079205293.db2.gz UGGLUJQMTYNESC-OAHLLOKOSA-N 1 0 402.495 2.203 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(CN3C(=O)N[C@@](C)(C4CCCCC4)C3=O)CC2)CC1 ZINC000771172749 1079207861 /nfs/dbraw/zinc/20/78/61/1079207861.db2.gz FNDFEYFQASKRII-QHCPKHFHSA-N 1 0 419.614 2.325 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)[C@H]3CSCN3C(=O)CC(C)(C)C)CC[NH2+]2)c1 ZINC001169249788 1079211890 /nfs/dbraw/zinc/21/18/90/1079211890.db2.gz DOORXKZACZPLGX-IEBWSBKVSA-N 1 0 419.591 2.376 20 0 HEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000766652491 1079220811 /nfs/dbraw/zinc/22/08/11/1079220811.db2.gz QACZBTJMZKLNPR-KUHUBIRLSA-N 1 0 417.481 2.463 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CCN4C)CC[NH2+]2)c1 ZINC001169252276 1079212215 /nfs/dbraw/zinc/21/22/15/1079212215.db2.gz WRQXLMHUOVRIJG-SFHVURJKSA-N 1 0 408.502 2.130 20 0 HEADRO O[C@H](C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)C[C@@]1(O)CCOC1 ZINC001169293820 1079216956 /nfs/dbraw/zinc/21/69/56/1079216956.db2.gz ZCSGPRHLBFVFNA-OALUTQOASA-N 1 0 414.340 2.333 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170023434 1079219013 /nfs/dbraw/zinc/21/90/13/1079219013.db2.gz XJGHQERUERRKFR-QAETUUGQSA-N 1 0 413.584 2.038 20 0 HEADRO COc1cccc(C[NH+]2CCC(NC(=O)CNC(=O)c3ccccc3OC)CC2)c1 ZINC000771232538 1079219246 /nfs/dbraw/zinc/21/92/46/1079219246.db2.gz FGHNINUYAXXGCG-UHFFFAOYSA-N 1 0 411.502 2.214 20 0 HEADRO Cc1cc(C(=O)NC2CCN(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)CC2)no1 ZINC000062474859 1079220011 /nfs/dbraw/zinc/22/00/11/1079220011.db2.gz ZPJKOEUPRUOOFN-LJQANCHMSA-N 1 0 413.522 2.060 20 0 HEADRO CCOc1cccc(CCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000771243857 1079224508 /nfs/dbraw/zinc/22/45/08/1079224508.db2.gz PLKXDXOMDNBSIY-UHFFFAOYSA-N 1 0 410.518 2.135 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2COC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CO1 ZINC001169313347 1079225230 /nfs/dbraw/zinc/22/52/30/1079225230.db2.gz MSWNYZKRGJZVKN-IKGGRYGDSA-N 1 0 412.527 2.245 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CO1 ZINC001169314064 1079225411 /nfs/dbraw/zinc/22/54/11/1079225411.db2.gz SLQHEHHSSFOKQJ-ULQDDVLXSA-N 1 0 412.527 2.245 20 0 HEADRO NC(=O)c1cccnc1N1CC[NH+](C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169305352 1079231241 /nfs/dbraw/zinc/23/12/41/1079231241.db2.gz HSCIMCWRIUEURC-UHFFFAOYSA-N 1 0 408.502 2.471 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000771222839 1079235472 /nfs/dbraw/zinc/23/54/72/1079235472.db2.gz NVQDEGVAMBNLCX-QGZVFWFLSA-N 1 0 402.539 2.438 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)O2)CO1 ZINC001169357806 1079241321 /nfs/dbraw/zinc/24/13/21/1079241321.db2.gz ODTCOUWHBPGWEZ-PMPSAXMXSA-N 1 0 400.516 2.101 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCNC(=O)/C=C\c2ccc(O)c(OC)c2)CO1 ZINC001169364380 1079242699 /nfs/dbraw/zinc/24/26/99/1079242699.db2.gz BNVODXYRYCMFLI-NRZFXULQSA-N 1 0 420.506 2.011 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CN(C(=O)OC(C)(C)C)CCO3)C2)CO1 ZINC001169376426 1079246099 /nfs/dbraw/zinc/24/60/99/1079246099.db2.gz YHHKKSKSPDDIIH-FIKGOQFSSA-N 1 0 412.527 2.199 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H](n2cc([C@H](C[NH3+])C(=O)OC)c3cc(OC)ccc32)CO1 ZINC001169351936 1079248856 /nfs/dbraw/zinc/24/88/56/1079248856.db2.gz ODJGBIATEAUIBX-AXHNFQJDSA-N 1 0 404.463 2.148 20 0 HEADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000771259624 1079250400 /nfs/dbraw/zinc/25/04/00/1079250400.db2.gz TUJKIGDIQZCAPI-SFHVURJKSA-N 1 0 411.593 2.067 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CCN(Cc4csc(C)n4)C3=O)CC2)CO1 ZINC001169388781 1079258711 /nfs/dbraw/zinc/25/87/11/1079258711.db2.gz QFINJPBJNQTPDD-ZWKOTPCHSA-N 1 0 421.563 2.377 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)CO1 ZINC001169388541 1079258969 /nfs/dbraw/zinc/25/89/69/1079258969.db2.gz ASPZIDWDCOMFOO-GJYPPUQNSA-N 1 0 410.465 2.125 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169389885 1079260198 /nfs/dbraw/zinc/26/01/98/1079260198.db2.gz UBLCGOOKGUXZTD-LXGFNABISA-N 1 0 422.547 2.212 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3nc(C(=O)NCC(C)C)sc3CC2)CO1 ZINC001169391939 1079261606 /nfs/dbraw/zinc/26/16/06/1079261606.db2.gz LXRSZNOPABWTJU-HOCLYGCPSA-N 1 0 409.552 2.040 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C2)COCCN(Cc2ccccn2)C3)CO1 ZINC001169398673 1079271574 /nfs/dbraw/zinc/27/15/74/1079271574.db2.gz SSMXSXXQTVBLQB-FUPPJEDESA-N 1 0 417.550 2.107 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)CO1 ZINC001169398458 1079271804 /nfs/dbraw/zinc/27/18/04/1079271804.db2.gz RKVVYWSCJVBVNL-IPJJNNNSSA-N 1 0 401.507 2.007 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCc2cncs2)C[C@H]1C(=O)N1CCSC1 ZINC001170024781 1079268351 /nfs/dbraw/zinc/26/83/51/1079268351.db2.gz CFXODFOMZJEILV-ZFWWWQNUSA-N 1 0 412.581 2.186 20 0 HEADRO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+]([C@@H]3CC[C@@H](C(=O)OCC)OC3)C2)cc1 ZINC001169416235 1079275933 /nfs/dbraw/zinc/27/59/33/1079275933.db2.gz BCBLITSGKKJUTR-HOJAQTOUSA-N 1 0 404.507 2.390 20 0 HEADRO CCN(C[C@H]1CCCO1)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746507080 1079294569 /nfs/dbraw/zinc/29/45/69/1079294569.db2.gz SBKUMLIPRSMALT-DENIHFKCSA-N 1 0 400.523 2.031 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCC[C@H](NC(=O)c1ccccc1)C(=O)OC ZINC001169449142 1079297383 /nfs/dbraw/zinc/29/73/83/1079297383.db2.gz OPZWSEREAHMZKV-MJGOQNOKSA-N 1 0 405.539 2.365 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]12NC(=O)N(CC[NH+]1CCCCC1)C2=O ZINC000766710474 1079297455 /nfs/dbraw/zinc/29/74/55/1079297455.db2.gz FMGBPWMQQHLQSB-HRAATJIYSA-N 1 0 408.543 2.478 20 0 HEADRO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000766725454 1079303439 /nfs/dbraw/zinc/30/34/39/1079303439.db2.gz MIRKMACCJWLFPX-IPMKNSEASA-N 1 0 401.511 2.448 20 0 HEADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc[nH]c1=O ZINC001170025284 1079305068 /nfs/dbraw/zinc/30/50/68/1079305068.db2.gz FJCRFPASMCMWQH-GOSISDBHSA-N 1 0 414.506 2.429 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001169465464 1079307540 /nfs/dbraw/zinc/30/75/40/1079307540.db2.gz WRRLOLMNKFMQLM-VGSWGCGISA-N 1 0 424.586 2.225 20 0 HEADRO 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400.585 2.082 20 0 HEADRO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000766860026 1079464270 /nfs/dbraw/zinc/46/42/70/1079464270.db2.gz FYDYKPTZBRKJKN-UZLBHIALSA-N 1 0 415.513 2.284 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCCN3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000766877245 1079472074 /nfs/dbraw/zinc/47/20/74/1079472074.db2.gz CWFNIYCZZAESHZ-RBUKOAKNSA-N 1 0 423.602 2.055 20 0 HEADRO CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CC[C@@H](CO)C2)nc1NC[C@@H]1COC(C)(C)O1 ZINC001169909004 1079473197 /nfs/dbraw/zinc/47/31/97/1079473197.db2.gz OQXSPDDKMCJYJQ-NVXWUHKLSA-N 1 0 420.554 2.444 20 0 HEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cn(C)nc1C(F)(F)F ZINC000804343232 1079473363 /nfs/dbraw/zinc/47/33/63/1079473363.db2.gz YEYXVVNZFNQDHO-UHFFFAOYSA-N 1 0 409.456 2.329 20 0 HEADRO COC(=O)[C@]12C[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]1COCC2 ZINC001169917347 1079477456 /nfs/dbraw/zinc/47/74/56/1079477456.db2.gz HOUYTMJLBSJVAR-URKNILKWSA-N 1 0 423.307 2.214 20 0 HEADRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001169928289 1079478528 /nfs/dbraw/zinc/47/85/28/1079478528.db2.gz LQFRGMGRBCLPPA-IEBWSBKVSA-N 1 0 423.579 2.425 20 0 HEADRO CNC(=O)c1cc2c(nc1N(CC(C)C)[C@@H]1CCCC3(C1)OCCO3)CC[NH2+]CC2 ZINC001169944265 1079483854 /nfs/dbraw/zinc/48/38/54/1079483854.db2.gz FDTBDQYBFIKCJN-GOSISDBHSA-N 1 0 416.566 2.278 20 0 HEADRO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169943652 1079484019 /nfs/dbraw/zinc/48/40/19/1079484019.db2.gz CHHZUZPKKHDIJM-MXEMCNAFSA-N 1 0 415.534 2.111 20 0 HEADRO CC1CCN(c2ccc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2)CC1 ZINC000737293811 1075895573 /nfs/dbraw/zinc/89/55/73/1075895573.db2.gz BJUVPLHNGROXDN-NRFANRHFSA-N 1 0 416.566 2.215 20 0 HEADRO CN(C)C(=O)CN1C(=O)CCC12CCC([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)CC2 ZINC001169968347 1079486987 /nfs/dbraw/zinc/48/69/87/1079486987.db2.gz ZKCZJBVLIBXUPM-UHFFFAOYSA-N 1 0 408.587 2.379 20 0 HEADRO CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000737304917 1075903050 /nfs/dbraw/zinc/90/30/50/1075903050.db2.gz MGZASVIDCFBAJR-AOMKIAJQSA-N 1 0 404.555 2.069 20 0 HEADRO C[C@H]1N(c2cccnc2)C(=O)COC12CC[NH+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169945003 1079487701 /nfs/dbraw/zinc/48/77/01/1079487701.db2.gz HIGHTKBLYAYUBQ-MSOLQXFVSA-N 1 0 401.507 2.354 20 0 HEADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000737744362 1075921662 /nfs/dbraw/zinc/92/16/62/1075921662.db2.gz WUYUJLNOOASAMF-NRFGWYQLSA-N 1 0 419.591 2.498 20 0 HEADRO Cc1nc(N(CC2CC2)[C@H]2CCCC3(C2)OCCO3)nc2c1COC[C@]21CC[NH2+]C1 ZINC001169947805 1079489706 /nfs/dbraw/zinc/48/97/06/1079489706.db2.gz GNQSXRIZAVPPQH-PGRDOPGGSA-N 1 0 414.550 2.448 20 0 HEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000737821239 1075933389 /nfs/dbraw/zinc/93/33/89/1075933389.db2.gz REKASCNFGKDFGQ-OLZOCXBDSA-N 1 0 406.280 2.296 20 0 HEADRO CN(C)S(=O)(=O)c1cnn(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000738016973 1075950765 /nfs/dbraw/zinc/95/07/65/1075950765.db2.gz MBKWBIPNVJIHGG-UHFFFAOYSA-N 1 0 413.547 2.062 20 0 HEADRO Ic1cnn(CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000738030247 1075954703 /nfs/dbraw/zinc/95/47/03/1075954703.db2.gz VQFNFFQWMWZIGR-UHFFFAOYSA-N 1 0 402.305 2.367 20 0 HEADRO S=c1n(CN2CCC[C@@H]2C[NH+]2CCCCC2)nc(N2CCOCC2)n1C1CC1 ZINC000738099544 1075961011 /nfs/dbraw/zinc/96/10/11/1075961011.db2.gz PETFCICEGOTAST-GOSISDBHSA-N 1 0 406.600 2.493 20 0 HEADRO C[NH+](C)[C@H]1CCCN(CN2C(=O)N[C@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000738143233 1075963263 /nfs/dbraw/zinc/96/32/63/1075963263.db2.gz FEDVQXDVYUYAKT-KBXCAEBGSA-N 1 0 414.428 2.336 20 0 HEADRO CNC(=O)c1nn(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(=O)c2ccccc21 ZINC000738107169 1075964195 /nfs/dbraw/zinc/96/41/95/1075964195.db2.gz JXXFAYPXEWGHMF-QZTJIDSGSA-N 1 0 411.550 2.300 20 0 HEADRO Cn1c(=S)n(CN2CCC(CC[NH+]3CCOCC3)CC2)nc1-c1ccncc1 ZINC000738117597 1075967598 /nfs/dbraw/zinc/96/75/98/1075967598.db2.gz SZXUIKVAPGMNII-UHFFFAOYSA-N 1 0 402.568 2.405 20 0 HEADRO COc1ccc(-n2ccn(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)c2=S)cc1 ZINC000738159805 1075970920 /nfs/dbraw/zinc/97/09/20/1075970920.db2.gz DMRWSMOHGUCQGV-UHFFFAOYSA-N 1 0 415.563 2.214 20 0 HEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000738169595 1075971937 /nfs/dbraw/zinc/97/19/37/1075971937.db2.gz KJCFBBBCLORDRR-INIZCTEOSA-N 1 0 406.625 2.279 20 0 HEADRO Cn1c(=S)n(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nc1-c1ccncc1 ZINC000738170323 1075972758 /nfs/dbraw/zinc/97/27/58/1075972758.db2.gz HBTZQSPYOHQBER-SFHVURJKSA-N 1 0 401.584 2.072 20 0 HEADRO Cc1cn(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(=O)n1-c1ccc(Cl)cc1 ZINC000738210656 1075974155 /nfs/dbraw/zinc/97/41/55/1075974155.db2.gz DEKGBKODWSPNNR-FQEVSTJZSA-N 1 0 403.958 2.270 20 0 HEADRO CC(C)Cn1c(CCC(N)=O)nn(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1=S ZINC000738265625 1075977381 /nfs/dbraw/zinc/97/73/81/1075977381.db2.gz IVBZJVHBMSSJDY-QGZVFWFLSA-N 1 0 408.616 2.396 20 0 HEADRO Cn1cc(C(=O)NCC2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)cn1 ZINC000738311233 1075987882 /nfs/dbraw/zinc/98/78/82/1075987882.db2.gz DFDIKXCMYWNSCH-GOSISDBHSA-N 1 0 421.339 2.358 20 0 HEADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000738312878 1075987968 /nfs/dbraw/zinc/98/79/68/1075987968.db2.gz DFGDEBOWSOPLFK-REDKUUPNSA-N 1 0 416.522 2.394 20 0 HEADRO CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)ccc21 ZINC000738365746 1075998575 /nfs/dbraw/zinc/99/85/75/1075998575.db2.gz FMMRYZXYIPWHND-UHFFFAOYSA-N 1 0 401.532 2.478 20 0 HEADRO CO[C@@H](CNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)C(F)(F)F ZINC000738477296 1076004659 /nfs/dbraw/zinc/00/46/59/1076004659.db2.gz HCIAUNMGIKBQGH-KRWDZBQOSA-N 1 0 418.460 2.036 20 0 HEADRO CCc1cc(CNC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)[nH]n1 ZINC000738483719 1076005119 /nfs/dbraw/zinc/00/51/19/1076005119.db2.gz ZOBOFBFNEIFRPS-SFHVURJKSA-N 1 0 411.554 2.111 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NCc1ccccc1COC(C)C)CC2 ZINC000771777741 1079499784 /nfs/dbraw/zinc/49/97/84/1079499784.db2.gz ATMDOJXPFDMGIA-UHFFFAOYSA-N 1 0 417.506 2.012 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](C[C@H](O)COc1ccccc1C(F)(F)F)CC2 ZINC000771778859 1079500737 /nfs/dbraw/zinc/50/07/37/1079500737.db2.gz JVWNQYLBICARJK-ZDUSSCGKSA-N 1 0 416.396 2.229 20 0 HEADRO Cc1cccc(OC[C@@H](O)C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000738881483 1076021153 /nfs/dbraw/zinc/02/11/53/1076021153.db2.gz JHWQBUXVWDLDMY-IBGZPJMESA-N 1 0 407.555 2.219 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000739023293 1076031384 /nfs/dbraw/zinc/03/13/84/1076031384.db2.gz MAEGOUAPLIKSPQ-IBGZPJMESA-N 1 0 404.511 2.350 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCCCO3)cc2)CC1 ZINC000739083252 1076032507 /nfs/dbraw/zinc/03/25/07/1076032507.db2.gz WLSMACZRQRWWTI-HXUWFJFHSA-N 1 0 402.539 2.088 20 0 HEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C[C@H](C)O1 ZINC000739069343 1076036599 /nfs/dbraw/zinc/03/65/99/1076036599.db2.gz SDIDJTKPFUPUSH-CALCHBBNSA-N 1 0 402.539 2.039 20 0 HEADRO Cc1cc(CN(C)C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)no1 ZINC000739068705 1076036700 /nfs/dbraw/zinc/03/67/00/1076036700.db2.gz GSOKJBGQLLTVAZ-UHFFFAOYSA-N 1 0 413.522 2.358 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCCc3cccnc3)cc2)CC1 ZINC000739069799 1076036971 /nfs/dbraw/zinc/03/69/71/1076036971.db2.gz QGYFXYBSSMZNKR-UHFFFAOYSA-N 1 0 409.534 2.157 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000739070551 1076037291 /nfs/dbraw/zinc/03/72/91/1076037291.db2.gz MSOYXLGVOWNVLB-GOSISDBHSA-N 1 0 414.550 2.185 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000739070553 1076037412 /nfs/dbraw/zinc/03/74/12/1076037412.db2.gz MSOYXLGVOWNVLB-SFHVURJKSA-N 1 0 414.550 2.185 20 0 HEADRO CCOC1CCN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000739078390 1076038319 /nfs/dbraw/zinc/03/83/19/1076038319.db2.gz CDGXVYMYMMBAJU-UHFFFAOYSA-N 1 0 416.566 2.431 20 0 HEADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)([NH+](C)C)C1 ZINC000739079235 1076039153 /nfs/dbraw/zinc/03/91/53/1076039153.db2.gz FMAHOXUPOHDMQJ-PMAPCBKXSA-N 1 0 416.566 2.477 20 0 HEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C[C@@H](C)O1 ZINC000739089591 1076042701 /nfs/dbraw/zinc/04/27/01/1076042701.db2.gz RMLBCTQTJXRSPC-DYESRHJHSA-N 1 0 416.566 2.429 20 0 HEADRO O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000739121576 1076047279 /nfs/dbraw/zinc/04/72/79/1076047279.db2.gz VSNPTIGORJEJNQ-UHFFFAOYSA-N 1 0 422.529 2.312 20 0 HEADRO CN(C(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000739726932 1076078949 /nfs/dbraw/zinc/07/89/49/1076078949.db2.gz HDOQLZMNDIWPAI-FHWLQOOXSA-N 1 0 408.587 2.307 20 0 HEADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000740014126 1076102316 /nfs/dbraw/zinc/10/23/16/1076102316.db2.gz DDQLCHAYWPLRLY-MRXNPFEDSA-N 1 0 412.895 2.306 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@](C)(O)c1cccs1 ZINC000740016283 1076102790 /nfs/dbraw/zinc/10/27/90/1076102790.db2.gz MSCJRKGJOZOHRA-BLLLJJGKSA-N 1 0 403.957 2.263 20 0 HEADRO C[C@H](OC(=O)c1ccnc(-n2cccn2)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000740346592 1076155922 /nfs/dbraw/zinc/15/59/22/1076155922.db2.gz OACFPLOLUQOMAR-PXNSSMCTSA-N 1 0 419.485 2.203 20 0 HEADRO COc1ccc([C@@H](CNC(=O)COC(=O)C[C@@H]2CCOC2)[NH+]2CCCCC2)cc1 ZINC000740390232 1076159917 /nfs/dbraw/zinc/15/99/17/1076159917.db2.gz ZPEZIERMXJNQMT-FXAWDEMLSA-N 1 0 404.507 2.308 20 0 HEADRO CCOC(=O)C1=C(CN2C[C@H](C)[N@H+](CC)C[C@H]2C)NC(=O)N[C@H]1c1ccccc1 ZINC000766252684 1076160919 /nfs/dbraw/zinc/16/09/19/1076160919.db2.gz UJSWQTPKTSTNTL-YRNRMSPPSA-N 1 0 400.523 2.272 20 0 HEADRO CC(C)(C)OC(=O)NC1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000740485598 1076170418 /nfs/dbraw/zinc/17/04/18/1076170418.db2.gz HTIXRQKNAITYBE-HIEASXQVSA-N 1 0 410.559 2.063 20 0 HEADRO Cc1c(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1S(=O)(=O)NC(C)(C)C ZINC000740458919 1076181674 /nfs/dbraw/zinc/18/16/74/1076181674.db2.gz RKCVIEFLOOEUOT-HOTGVXAUSA-N 1 0 424.567 2.057 20 0 HEADRO COc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1S(=O)(=O)NC1CC1 ZINC000740459617 1076181874 /nfs/dbraw/zinc/18/18/74/1076181874.db2.gz MIWKAJSKWKNWBS-CQSZACIVSA-N 1 0 410.540 2.132 20 0 HEADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@](C)(O)c2cccs2)c2ccccc2)CC1 ZINC000740477404 1076186072 /nfs/dbraw/zinc/18/60/72/1076186072.db2.gz BSEFGJCUVANBDO-NQIIRXRSSA-N 1 0 402.564 2.244 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC2(c3cccc(F)c3)CC2)CC1 ZINC000740507858 1076197233 /nfs/dbraw/zinc/19/72/33/1076197233.db2.gz RWGLJSUNKVIMCE-UHFFFAOYSA-N 1 0 410.493 2.364 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)C[C@H](C)O1 ZINC000740513784 1076199885 /nfs/dbraw/zinc/19/98/85/1076199885.db2.gz VCRNHVASAPVDLQ-OTWHNJEPSA-N 1 0 414.550 2.183 20 0 HEADRO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)ccc12 ZINC000740873594 1076276817 /nfs/dbraw/zinc/27/68/17/1076276817.db2.gz NRXVHQSUJKDUFL-QGZVFWFLSA-N 1 0 400.475 2.051 20 0 HEADRO CCCS(=O)(=O)NC1CC[NH+](CCOc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000740874746 1076277569 /nfs/dbraw/zinc/27/75/69/1076277569.db2.gz GDJDZMDHMQNHNV-UHFFFAOYSA-N 1 0 408.520 2.274 20 0 HEADRO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C(N)=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740883210 1076283371 /nfs/dbraw/zinc/28/33/71/1076283371.db2.gz HVRGLOREPODFTB-OCCSQVGLSA-N 1 0 410.540 2.411 20 0 HEADRO CCC[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740883050 1076283878 /nfs/dbraw/zinc/28/38/78/1076283878.db2.gz MESLXFWGCDVHFI-NXHRZFHOSA-N 1 0 420.554 2.188 20 0 HEADRO CC[C@@H]1C[N@H+](CCCS(=O)(=O)NC)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740887594 1076285794 /nfs/dbraw/zinc/28/57/94/1076285794.db2.gz WLUHGRYTSQUYQL-RBUKOAKNSA-N 1 0 411.568 2.437 20 0 HEADRO CN1CC[NH+](CCCCNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000740907196 1076287273 /nfs/dbraw/zinc/28/72/73/1076287273.db2.gz LEHOCFOBXDINLR-MRXNPFEDSA-N 1 0 403.354 2.354 20 0 HEADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)Cc1ccccc1 ZINC000740890433 1076291474 /nfs/dbraw/zinc/29/14/74/1076291474.db2.gz UWLHSTJFBYZREQ-GOSISDBHSA-N 1 0 403.504 2.094 20 0 HEADRO C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)C[C@@H](C)O1 ZINC000740905120 1076298566 /nfs/dbraw/zinc/29/85/66/1076298566.db2.gz YVFPOGQACLTVOA-TVFCKZIOSA-N 1 0 412.575 2.430 20 0 HEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@](C)(O)c3ccsc3)cc2)CC1 ZINC000740906066 1076298983 /nfs/dbraw/zinc/29/89/83/1076298983.db2.gz AFKULPUIWHKOQS-NRFANRHFSA-N 1 0 402.564 2.202 20 0 HEADRO Cc1noc2ncc(C(=O)O[C@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000740952510 1076311822 /nfs/dbraw/zinc/31/18/22/1076311822.db2.gz ZZBGGXGVFBOOEA-QAPCUYQASA-N 1 0 408.458 2.467 20 0 HEADRO CC[C@H](C(=O)OCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)[NH+](CC)CC ZINC000741034139 1076332328 /nfs/dbraw/zinc/33/23/28/1076332328.db2.gz YIUQSSPNBZMGFR-GOSISDBHSA-N 1 0 421.563 2.478 20 0 HEADRO COc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC000741015168 1076336014 /nfs/dbraw/zinc/33/60/14/1076336014.db2.gz YHPRWOMBRHRPDM-QGZVFWFLSA-N 1 0 400.483 2.370 20 0 HEADRO C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741085599 1076349465 /nfs/dbraw/zinc/34/94/65/1076349465.db2.gz SSAHXNGDLCKNQX-KRWDZBQOSA-N 1 0 412.575 2.122 20 0 HEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H](CCO)c3cccs3)cc2)CC1 ZINC000741076659 1076354966 /nfs/dbraw/zinc/35/49/66/1076354966.db2.gz JMNZIFYUGKNXPX-IBGZPJMESA-N 1 0 402.564 2.418 20 0 HEADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2Cl)cc1 ZINC000741104185 1076377190 /nfs/dbraw/zinc/37/71/90/1076377190.db2.gz FFDJYTFZMFERNH-LJQANCHMSA-N 1 0 419.909 2.459 20 0 HEADRO COc1ccc([C@@H]2[C@H](COC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC[N@@H+]2C)cc1 ZINC000741120529 1076379521 /nfs/dbraw/zinc/37/95/21/1076379521.db2.gz HNDUJNLXKCSIMC-XFIJJGBISA-N 1 0 414.502 2.406 20 0 HEADRO COc1ccc([C@@H]2[C@@H](COC(=O)Cc3ccc(-n4cnnn4)cc3)CC[N@@H+]2C)cc1 ZINC000741125622 1076380743 /nfs/dbraw/zinc/38/07/43/1076380743.db2.gz XNJRAGMYTDKCBF-XMSQKQJNSA-N 1 0 407.474 2.450 20 0 HEADRO C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)n1nnnc1C(C)(C)C ZINC000543692418 1076382394 /nfs/dbraw/zinc/38/23/94/1076382394.db2.gz DYZZFWZFMHYECR-AWEZNQCLSA-N 1 0 400.531 2.096 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000741276932 1076441959 /nfs/dbraw/zinc/44/19/59/1076441959.db2.gz CBVKNVMBYMSWKG-QAPCUYQASA-N 1 0 410.559 2.090 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000741318937 1076466088 /nfs/dbraw/zinc/46/60/88/1076466088.db2.gz NIVQKHYSAKPOTF-QGZVFWFLSA-N 1 0 406.504 2.485 20 0 HEADRO C[C@@H](OC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC(=O)NCC(F)(F)F ZINC000741321238 1076467062 /nfs/dbraw/zinc/46/70/62/1076467062.db2.gz SEKFAVZMSAJXAB-HIFRSBDPSA-N 1 0 415.412 2.218 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000741336691 1076481561 /nfs/dbraw/zinc/48/15/61/1076481561.db2.gz BUVBOLPFZGPODY-QFBILLFUSA-N 1 0 424.563 2.109 20 0 HEADRO Cc1nccn1-c1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000741410053 1076513096 /nfs/dbraw/zinc/51/30/96/1076513096.db2.gz WVXXJRUOZCUDLN-HSZRJFAPSA-N 1 0 420.517 2.012 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000144847385 1076513191 /nfs/dbraw/zinc/51/31/91/1076513191.db2.gz HFQROGWOHBLSEB-MRXNPFEDSA-N 1 0 412.625 2.212 20 0 HEADRO O=C(NCc1nc(Cc2ccccc2)no1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741412480 1076514556 /nfs/dbraw/zinc/51/45/56/1076514556.db2.gz PLWMYNMULRPLFG-HSZRJFAPSA-N 1 0 421.501 2.097 20 0 HEADRO C[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000741414734 1076515168 /nfs/dbraw/zinc/51/51/68/1076515168.db2.gz VFUIMUNSPLPGEM-OSPHWJPCSA-N 1 0 422.529 2.203 20 0 HEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000741428788 1076521807 /nfs/dbraw/zinc/52/18/07/1076521807.db2.gz XIRRAOLRPBNONN-RBUKOAKNSA-N 1 0 423.602 2.101 20 0 HEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000741432372 1076525459 /nfs/dbraw/zinc/52/54/59/1076525459.db2.gz SJEFWWUXZQUKLG-KRWDZBQOSA-N 1 0 423.872 2.208 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C1 ZINC000741441330 1076530954 /nfs/dbraw/zinc/53/09/54/1076530954.db2.gz HACCRTXGVKTYEY-PZJWPPBQSA-N 1 0 418.534 2.204 20 0 HEADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=S)N[C@@H]2CCOc3ccccc32)c1 ZINC000741483018 1076540361 /nfs/dbraw/zinc/54/03/61/1076540361.db2.gz HVICBLHGEHQNPN-LJQANCHMSA-N 1 0 412.559 2.466 20 0 HEADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Cl ZINC000741589170 1076547048 /nfs/dbraw/zinc/54/70/48/1076547048.db2.gz LJIWGMNDFLDICU-GXTWGEPZSA-N 1 0 403.932 2.077 20 0 HEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(Cl)nc3ccccc32)cn1 ZINC000741607468 1076564138 /nfs/dbraw/zinc/56/41/38/1076564138.db2.gz HQLYMTKKVJVYEE-UHFFFAOYSA-N 1 0 400.870 2.015 20 0 HEADRO CN(C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000741626533 1076570464 /nfs/dbraw/zinc/57/04/64/1076570464.db2.gz YRNLUHLUVSKGDM-ZRNYNZGJSA-N 1 0 405.564 2.252 20 0 HEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000741679355 1076583629 /nfs/dbraw/zinc/58/36/29/1076583629.db2.gz BOWUXKKLJDIKBT-KURKYZTESA-N 1 0 424.586 2.129 20 0 HEADRO CC(C)c1ccc(N2CC[C@H](C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2=O)cc1 ZINC000741689739 1076587634 /nfs/dbraw/zinc/58/76/34/1076587634.db2.gz FSCDOOPWHOWIQE-DENIHFKCSA-N 1 0 412.578 2.448 20 0 HEADRO CC(C)c1ccc(N2CC[C@@H](C(=O)NCCCN3CCC[N@H+](C)CC3)C2=O)cc1 ZINC000741692531 1076588531 /nfs/dbraw/zinc/58/85/31/1076588531.db2.gz UWHIKCCYDARNTP-NRFANRHFSA-N 1 0 400.567 2.307 20 0 HEADRO C[C@H]1C[C@H](N(C)C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000741709759 1076600713 /nfs/dbraw/zinc/60/07/13/1076600713.db2.gz WQYIASTXSISXTA-FXAWDEMLSA-N 1 0 422.595 2.360 20 0 HEADRO CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CN3CC[NH+](CC(C)(C)O)CC3)C2=O)cc1 ZINC000741751123 1076619077 /nfs/dbraw/zinc/61/90/77/1076619077.db2.gz LCZYSAQUXQDDOX-HSZRJFAPSA-N 1 0 416.566 2.097 20 0 HEADRO CN(CC1CC[NH+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000741779558 1076624340 /nfs/dbraw/zinc/62/43/40/1076624340.db2.gz LKAPLVMQQZTHIE-SFHVURJKSA-N 1 0 405.543 2.494 20 0 HEADRO COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000741788670 1076627833 /nfs/dbraw/zinc/62/78/33/1076627833.db2.gz YDTZWMPAZCPLQO-ACRNLXFHSA-N 1 0 409.596 2.410 20 0 HEADRO COCCCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000741794638 1076631423 /nfs/dbraw/zinc/63/14/23/1076631423.db2.gz VHUZAQCXUCSGMH-GOSISDBHSA-N 1 0 405.539 2.368 20 0 HEADRO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)NC(=O)N[C@H]1C ZINC000741797915 1076640316 /nfs/dbraw/zinc/64/03/16/1076640316.db2.gz BVFHGBFGXXAPKH-RDJZCZTQSA-N 1 0 401.507 2.468 20 0 HEADRO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCCC(C)(C)CC2)C1=O ZINC000741804821 1076644035 /nfs/dbraw/zinc/64/40/35/1076644035.db2.gz LZWZAGANBBWUOF-JOCHJYFZSA-N 1 0 400.523 2.473 20 0 HEADRO C[NH+]1CCC(NC(=S)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000741867664 1076659572 /nfs/dbraw/zinc/65/95/72/1076659572.db2.gz BBCNXYZGDGEFAS-MRXNPFEDSA-N 1 0 412.506 2.342 20 0 HEADRO CN(CCCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C1=NS(=O)(=O)c2ccccc21 ZINC000741934622 1076680830 /nfs/dbraw/zinc/68/08/30/1076680830.db2.gz XOYBXHRSURPEIH-UHFFFAOYSA-N 1 0 424.486 2.067 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)CCc3nc(-c4ncccn4)no3)CC2)cc1 ZINC000741981899 1076702353 /nfs/dbraw/zinc/70/23/53/1076702353.db2.gz CIOANJIQFGEZEV-UHFFFAOYSA-N 1 0 421.505 2.310 20 0 HEADRO Cc1sc(=O)n(CC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1-c1ccc(F)cc1 ZINC000742105193 1076743085 /nfs/dbraw/zinc/74/30/85/1076743085.db2.gz ROHUEXQLPMYDLF-MRXNPFEDSA-N 1 0 419.522 2.205 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000742098507 1076749610 /nfs/dbraw/zinc/74/96/10/1076749610.db2.gz QJNXKSXAWIIYEI-UHFFFAOYSA-N 1 0 420.579 2.086 20 0 HEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000742135298 1076751295 /nfs/dbraw/zinc/75/12/95/1076751295.db2.gz DQTGDLIYYRRXCM-JTQLQIEISA-N 1 0 424.386 2.104 20 0 HEADRO C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CN2CC[C@H]([NH+]3CC=CC3)C2)C1=O ZINC000742163409 1076760689 /nfs/dbraw/zinc/76/06/89/1076760689.db2.gz RXNPCBVABYWGLZ-LPHOPBHVSA-N 1 0 408.424 2.376 20 0 HEADRO O=C1C(=O)N(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)C(=O)N1CCc1cccs1 ZINC000742166151 1076762096 /nfs/dbraw/zinc/76/20/96/1076762096.db2.gz SHFLOFQKAQAZCH-INIZCTEOSA-N 1 0 405.520 2.463 20 0 HEADRO Cc1ccc(C)c([C@H]2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)[C@@H](C)CO2)c1 ZINC000742169012 1076762836 /nfs/dbraw/zinc/76/28/36/1076762836.db2.gz AHXVHPWVJLMBIK-PKOBYXMFSA-N 1 0 400.523 2.039 20 0 HEADRO C[C@@]1(c2ccccc2Br)NC(=O)N(CN2CC[C@@H]([NH+]3CC=CC3)C2)C1=O ZINC000742162239 1076773288 /nfs/dbraw/zinc/77/32/88/1076773288.db2.gz DLAMESJLGFYDHH-KUHUBIRLSA-N 1 0 419.323 2.120 20 0 HEADRO O=CNc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000742247906 1076805759 /nfs/dbraw/zinc/80/57/59/1076805759.db2.gz GCEWEOOMZYEVFH-IBGZPJMESA-N 1 0 407.518 2.324 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1Br ZINC000742305174 1076813342 /nfs/dbraw/zinc/81/33/42/1076813342.db2.gz PDFKPHAWQGUGKV-XHDPSFHLSA-N 1 0 419.341 2.196 20 0 HEADRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)nc3sccn32)Cc2ccccc2C1 ZINC000742306544 1076813781 /nfs/dbraw/zinc/81/37/81/1076813781.db2.gz RTPQMCSOQFCDRS-UHFFFAOYSA-N 1 0 410.952 2.427 20 0 HEADRO C[C@@H]1C[C@H](NS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC[N@@H+]1C ZINC000742308406 1076814422 /nfs/dbraw/zinc/81/44/22/1076814422.db2.gz FIMJXYRGJSPZEE-QRQLOZEOSA-N 1 0 409.552 2.190 20 0 HEADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293432 1076819795 /nfs/dbraw/zinc/81/97/95/1076819795.db2.gz HCTJTALIQSYVJF-VQTJNVASSA-N 1 0 423.579 2.296 20 0 HEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293458 1076819836 /nfs/dbraw/zinc/81/98/36/1076819836.db2.gz IDDNMTLYGVIJQO-MOPGFXCFSA-N 1 0 409.552 2.049 20 0 HEADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742295044 1076820093 /nfs/dbraw/zinc/82/00/93/1076820093.db2.gz QFYXCALLMZYTAH-PMACEKPBSA-N 1 0 421.563 2.286 20 0 HEADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742295930 1076820563 /nfs/dbraw/zinc/82/05/63/1076820563.db2.gz AETWSCOXVRZLIC-MOPGFXCFSA-N 1 0 409.552 2.001 20 0 HEADRO NC(=NOCC(=O)N(C1CC1)C1CCCC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000742358075 1076830311 /nfs/dbraw/zinc/83/03/11/1076830311.db2.gz YTZAPWYWGRLDCU-UHFFFAOYSA-N 1 0 414.550 2.423 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)C1 ZINC000742345485 1076831733 /nfs/dbraw/zinc/83/17/33/1076831733.db2.gz YDLAFNXONQRIAC-LBPRGKRZSA-N 1 0 419.341 2.341 20 0 HEADRO C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000742394918 1076833847 /nfs/dbraw/zinc/83/38/47/1076833847.db2.gz JZJGSZABCNTWCZ-MRXNPFEDSA-N 1 0 424.586 2.081 20 0 HEADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000742396992 1076834051 /nfs/dbraw/zinc/83/40/51/1076834051.db2.gz JPYFOPAGMAECIG-UHFFFAOYSA-N 1 0 424.586 2.083 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)ccn2)CC1 ZINC000742547923 1076850825 /nfs/dbraw/zinc/85/08/25/1076850825.db2.gz VOLBWUQBYZFGON-GOSISDBHSA-N 1 0 417.554 2.239 20 0 HEADRO CC(C)n1ccc(CC(=O)N2CCC(CC(=O)N3CCC([NH+](C)C)CC3)CC2)n1 ZINC000742591065 1076853849 /nfs/dbraw/zinc/85/38/49/1076853849.db2.gz WTHRJRZCUGRIGR-UHFFFAOYSA-N 1 0 403.571 2.188 20 0 HEADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1SC(=N)NC1=O ZINC000742593081 1076854027 /nfs/dbraw/zinc/85/40/27/1076854027.db2.gz JBWGNWNGLNJBRB-ZDUSSCGKSA-N 1 0 402.442 2.152 20 0 HEADRO O=C(Nc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1)OCC(F)(F)F ZINC000742599480 1076854960 /nfs/dbraw/zinc/85/49/60/1076854960.db2.gz WAOGMCKXVFYTJY-HUUCEWRRSA-N 1 0 401.385 2.390 20 0 HEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(OCc2ccccc2)ccn1 ZINC000742615675 1076856882 /nfs/dbraw/zinc/85/68/82/1076856882.db2.gz FPZWJHWJNXCMPH-OAQYLSRUSA-N 1 0 410.518 2.333 20 0 HEADRO COCCC[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000742619552 1076857255 /nfs/dbraw/zinc/85/72/55/1076857255.db2.gz WFYFUIAUWKPJKF-UHFFFAOYSA-N 1 0 413.312 2.258 20 0 HEADRO CN(C(=O)CN(CC1CC1)C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000742664662 1076862021 /nfs/dbraw/zinc/86/20/21/1076862021.db2.gz VBEFQPNBVPIDAV-IBGZPJMESA-N 1 0 408.587 2.260 20 0 HEADRO C[C@@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000742670898 1076863185 /nfs/dbraw/zinc/86/31/85/1076863185.db2.gz CIJAMBUFINKCOJ-PKOBYXMFSA-N 1 0 404.555 2.047 20 0 HEADRO CN1CC[NH+](CC2CCN(C(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000742655243 1076865005 /nfs/dbraw/zinc/86/50/05/1076865005.db2.gz HXHLAFJVRZJNMK-LJQANCHMSA-N 1 0 408.587 2.262 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000742689626 1076867073 /nfs/dbraw/zinc/86/70/73/1076867073.db2.gz IAQHAPIROTWTEL-IBGZPJMESA-N 1 0 405.539 2.258 20 0 HEADRO CON(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000742790057 1076879450 /nfs/dbraw/zinc/87/94/50/1076879450.db2.gz FLIXXOZEKDEWDC-LJQANCHMSA-N 1 0 417.531 2.215 20 0 HEADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000742789767 1076879501 /nfs/dbraw/zinc/87/95/01/1076879501.db2.gz BSASYUYOCISLLZ-KRWDZBQOSA-N 1 0 419.522 2.470 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)C1 ZINC000742880728 1076888520 /nfs/dbraw/zinc/88/85/20/1076888520.db2.gz QAVIRSWCAHBRLN-ZDUSSCGKSA-N 1 0 415.506 2.209 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000742910760 1076891123 /nfs/dbraw/zinc/89/11/23/1076891123.db2.gz KIULQODYKAJUSC-LBPRGKRZSA-N 1 0 403.342 2.266 20 0 HEADRO COc1cc2c(c(OC)c1)C(=O)C(=O)N2CN1CC[NH+](CC2CCCCC2)CC1 ZINC000742926510 1076898381 /nfs/dbraw/zinc/89/83/81/1076898381.db2.gz BNUJDORLZFVTIW-UHFFFAOYSA-N 1 0 401.507 2.389 20 0 HEADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000742949302 1076899601 /nfs/dbraw/zinc/89/96/01/1076899601.db2.gz NWXYDVKFTDHHTK-LJQANCHMSA-N 1 0 421.545 2.401 20 0 HEADRO C[C@@H]1NC(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000742949901 1076899713 /nfs/dbraw/zinc/89/97/13/1076899713.db2.gz UPVCHLMBOQMYMP-AZUAARDMSA-N 1 0 419.529 2.305 20 0 HEADRO COc1ccc(Cl)c(NC(=S)NC[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000742984399 1076913793 /nfs/dbraw/zinc/91/37/93/1076913793.db2.gz MAPRABLNPJUSBM-OAHLLOKOSA-N 1 0 412.987 2.289 20 0 HEADRO COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000743047740 1076935748 /nfs/dbraw/zinc/93/57/48/1076935748.db2.gz OIRYIRYFUPWYBL-UHFFFAOYSA-N 1 0 403.504 2.334 20 0 HEADRO COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1C ZINC000743046947 1076936234 /nfs/dbraw/zinc/93/62/34/1076936234.db2.gz CFVILRUCOOZJRZ-UHFFFAOYSA-N 1 0 403.504 2.334 20 0 HEADRO CC(C)OC(=O)NCc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000743157865 1076970646 /nfs/dbraw/zinc/97/06/46/1076970646.db2.gz FLDYKRHLBMDCEG-QGZVFWFLSA-N 1 0 405.543 2.326 20 0 HEADRO C[NH+]1CCN(C[C@H](NC(=O)Nc2ccn(Cc3ccccn3)n2)c2ccccc2)CC1 ZINC000743164419 1076983662 /nfs/dbraw/zinc/98/36/62/1076983662.db2.gz IULGGPKXLWDHFC-NRFANRHFSA-N 1 0 419.533 2.437 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)NCCCC[NH+]3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000743168598 1076985579 /nfs/dbraw/zinc/98/55/79/1076985579.db2.gz CZXHMFBVZDZHEM-QGZVFWFLSA-N 1 0 417.554 2.011 20 0 HEADRO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2ccc(N3CCSCC3)cc2)CC1 ZINC000743184069 1077001614 /nfs/dbraw/zinc/00/16/14/1077001614.db2.gz IUEBGMNOBVZAHC-UHFFFAOYSA-N 1 0 419.595 2.339 20 0 HEADRO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000743220630 1077006266 /nfs/dbraw/zinc/00/62/66/1077006266.db2.gz IROINGREQPNFSN-JKSUJKDBSA-N 1 0 404.511 2.364 20 0 HEADRO COc1ccc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1N1CCOC1=O ZINC000743230580 1077007938 /nfs/dbraw/zinc/00/79/38/1077007938.db2.gz SNXXITDOHYIVQJ-MRXNPFEDSA-N 1 0 406.483 2.130 20 0 HEADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC[N@@H+]1C ZINC000743238605 1077011842 /nfs/dbraw/zinc/01/18/42/1077011842.db2.gz RJDVQOHGGIYXRD-JSGCOSHPSA-N 1 0 403.932 2.368 20 0 HEADRO Cc1cc(C(=O)NCCNc2cc[nH+]cc2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000743313788 1077024580 /nfs/dbraw/zinc/02/45/80/1077024580.db2.gz NWNVBFFTVHMERJ-UHFFFAOYSA-N 1 0 410.518 2.354 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(CN2C(=O)N[C@@](CC)(c3ccc(OC)cc3)C2=O)C1 ZINC000743387511 1077039409 /nfs/dbraw/zinc/03/94/09/1077039409.db2.gz ISDOVKBJAGJGGY-VGSWGCGISA-N 1 0 402.539 2.474 20 0 HEADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1c2cc3c(cc2C(=O)C1=O)OCCO3 ZINC000743401809 1077043226 /nfs/dbraw/zinc/04/32/26/1077043226.db2.gz BAUAJEOHLPQPCO-SFHVURJKSA-N 1 0 421.497 2.399 20 0 HEADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000743402445 1077043400 /nfs/dbraw/zinc/04/34/00/1077043400.db2.gz KBGQKRYISPPEND-NRFANRHFSA-N 1 0 420.513 2.389 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(F)cc1F ZINC000743379857 1077045652 /nfs/dbraw/zinc/04/56/52/1077045652.db2.gz CKJVNSHECJFIRG-ZDUSSCGKSA-N 1 0 410.465 2.490 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1)c1ccco1 ZINC000743413247 1077048873 /nfs/dbraw/zinc/04/88/73/1077048873.db2.gz CKWFBMWESFCRBF-KRWDZBQOSA-N 1 0 414.462 2.374 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1)c1ccco1 ZINC000743413458 1077049339 /nfs/dbraw/zinc/04/93/39/1077049339.db2.gz DLEBVPMLILSGHS-KRWDZBQOSA-N 1 0 414.462 2.374 20 0 HEADRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)[NH+](C)C)cc1 ZINC000743414468 1077049642 /nfs/dbraw/zinc/04/96/42/1077049642.db2.gz YGEASTFFEZXUJA-HXUWFJFHSA-N 1 0 424.501 2.305 20 0 HEADRO CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000743414598 1077049934 /nfs/dbraw/zinc/04/99/34/1077049934.db2.gz SBSPZNLWPYNGDU-CGQZWFTASA-N 1 0 401.507 2.438 20 0 HEADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)C[C@@H](C)O1 ZINC000743528922 1077063894 /nfs/dbraw/zinc/06/38/94/1077063894.db2.gz MRFMTGDKUKZHRI-IAGOWNOFSA-N 1 0 416.522 2.210 20 0 HEADRO Cc1cc([C@](C)(O)CNC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)c(C)o1 ZINC000743511998 1077065403 /nfs/dbraw/zinc/06/54/03/1077065403.db2.gz ZTBAOKIZCNLNOF-HSZRJFAPSA-N 1 0 423.517 2.411 20 0 HEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000743622441 1077076339 /nfs/dbraw/zinc/07/63/39/1077076339.db2.gz GWMDAXGZNDHTED-KSZLIROESA-N 1 0 412.575 2.480 20 0 HEADRO COc1ccccc1OCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000743621975 1077076363 /nfs/dbraw/zinc/07/63/63/1077076363.db2.gz HTLDJCFCSINKSG-AWEZNQCLSA-N 1 0 413.927 2.382 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)NCC3([NH+]4CCCC4)CCOCC3)C2=O)cc1 ZINC000743622806 1077076600 /nfs/dbraw/zinc/07/66/00/1077076600.db2.gz OMGQFWWOPUCMDA-IBGZPJMESA-N 1 0 400.523 2.045 20 0 HEADRO C[C@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000743622473 1077076623 /nfs/dbraw/zinc/07/66/23/1077076623.db2.gz IJAWFVZBHSLEFU-KRWDZBQOSA-N 1 0 410.559 2.282 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)C2=O)cc1 ZINC000743633836 1077084086 /nfs/dbraw/zinc/08/40/86/1077084086.db2.gz QOFCLJJOHSDOOI-QFIPXVFZSA-N 1 0 406.530 2.278 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCN1CCCCCC1=O ZINC000743696114 1077092003 /nfs/dbraw/zinc/09/20/03/1077092003.db2.gz JSNKTIMFTHJSFC-HNNXBMFYSA-N 1 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COc1ccc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1SC(F)(F)F ZINC000743847756 1077141353 /nfs/dbraw/zinc/14/13/53/1077141353.db2.gz PKQYBQKUIHBFLL-LBPRGKRZSA-N 1 0 413.487 2.312 20 0 HEADRO CN(C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC000743865792 1077152243 /nfs/dbraw/zinc/15/22/43/1077152243.db2.gz GSRNNNRKAVYIOZ-HZPDHXFCSA-N 1 0 408.495 2.486 20 0 HEADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1N1CCOC1=O ZINC000743882561 1077168445 /nfs/dbraw/zinc/16/84/45/1077168445.db2.gz ATGXITGFTBMBKI-LSDHHAIUSA-N 1 0 402.495 2.127 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000743885569 1077175318 /nfs/dbraw/zinc/17/53/18/1077175318.db2.gz WRIOGPPSYUQVBK-SJORKVTESA-N 1 0 404.580 2.415 20 0 HEADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)C1 ZINC000743885849 1077178113 /nfs/dbraw/zinc/17/81/13/1077178113.db2.gz BVRLRDBASLQSGB-MRXNPFEDSA-N 1 0 414.506 2.181 20 0 HEADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)C1 ZINC000743885848 1077178467 /nfs/dbraw/zinc/17/84/67/1077178467.db2.gz BVRLRDBASLQSGB-INIZCTEOSA-N 1 0 414.506 2.181 20 0 HEADRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1 ZINC000743913743 1077189839 /nfs/dbraw/zinc/18/98/39/1077189839.db2.gz IGYSQBFKJBCFIE-OAHLLOKOSA-N 1 0 404.511 2.423 20 0 HEADRO COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000743894303 1077205211 /nfs/dbraw/zinc/20/52/11/1077205211.db2.gz ONYABEJGWAHNJN-UHFFFAOYSA-N 1 0 403.523 2.266 20 0 HEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000743939454 1077231499 /nfs/dbraw/zinc/23/14/99/1077231499.db2.gz KKTQDSZSSDOVRG-INIZCTEOSA-N 1 0 418.538 2.197 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)CC1 ZINC000743942153 1077236188 /nfs/dbraw/zinc/23/61/88/1077236188.db2.gz BQHKLRZGFDJDPK-QGZVFWFLSA-N 1 0 402.539 2.088 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(CN(C)C(=O)OC)cc2)CC1 ZINC000743942118 1077236237 /nfs/dbraw/zinc/23/62/37/1077236237.db2.gz AXSGIOFWTAIYFI-UHFFFAOYSA-N 1 0 404.511 2.062 20 0 HEADRO Cc1ccnc(-c2cccc(NC(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2)n1 ZINC000743945314 1077239651 /nfs/dbraw/zinc/23/96/51/1077239651.db2.gz BQMRLPMPLVFIHF-FQEVSTJZSA-N 1 0 423.517 2.150 20 0 HEADRO COC(=O)Nc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000743924423 1077248954 /nfs/dbraw/zinc/24/89/54/1077248954.db2.gz MZVGNQVLZUCQDF-UHFFFAOYSA-N 1 0 410.474 2.019 20 0 HEADRO Cc1nc(-c2ccccc2NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)no1 ZINC000743925113 1077249559 /nfs/dbraw/zinc/24/95/59/1077249559.db2.gz UTIPOCQEJKDJSH-UHFFFAOYSA-N 1 0 419.485 2.199 20 0 HEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)[C@@H]1c1cccs1 ZINC000743926520 1077250357 /nfs/dbraw/zinc/25/03/57/1077250357.db2.gz WRESJFMPZCPJRT-HNAYVOBHSA-N 1 0 424.530 2.467 20 0 HEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)[C@@H]1c1cccs1 ZINC000743926519 1077250418 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/nfs/dbraw/zinc/17/95/10/1080179510.db2.gz ZCLRGXDEQRLJML-MSOLQXFVSA-N 1 0 412.490 2.421 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2CCC[C@@]3(CCO3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049831 1080212775 /nfs/dbraw/zinc/21/27/75/1080212775.db2.gz FIUPIISAAIDFCW-TWOQFEAHSA-N 1 0 411.568 2.152 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049664 1080215248 /nfs/dbraw/zinc/21/52/48/1080215248.db2.gz DROAWZCKEASTLO-IYYNEKPFSA-N 1 0 423.579 2.007 20 0 HEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000767921177 1080216256 /nfs/dbraw/zinc/21/62/56/1080216256.db2.gz VPZXZPVRCMYBNM-OOKSDGMUSA-N 1 0 407.555 2.297 20 0 HEADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@H]3CCC(C)C)C2=O)c1 ZINC000767907121 1080223457 /nfs/dbraw/zinc/22/34/57/1080223457.db2.gz ORCCGTDMMATVOO-JTSKRJEESA-N 1 0 416.522 2.394 20 0 HEADRO O=C(COC(=O)c1cccc(C[NH+]2CCCC2)c1)Nc1nnc([C@H]2CCCO2)o1 ZINC000785715738 1080224935 /nfs/dbraw/zinc/22/49/35/1080224935.db2.gz VECGEJPETRTLMU-MRXNPFEDSA-N 1 0 400.435 2.312 20 0 HEADRO COCCC(=O)N1CCC(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000767939743 1080232995 /nfs/dbraw/zinc/23/29/95/1080232995.db2.gz PFAMCOCJVTZHSL-UHFFFAOYSA-N 1 0 408.587 2.358 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000767940338 1080233879 /nfs/dbraw/zinc/23/38/79/1080233879.db2.gz QVMINWLYBAVGDT-QZTJIDSGSA-N 1 0 410.559 2.063 20 0 HEADRO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000767969527 1080240894 /nfs/dbraw/zinc/24/08/94/1080240894.db2.gz MLEPXRPQCWTTIM-IRXDYDNUSA-N 1 0 421.542 2.090 20 0 HEADRO C[N@H+](CCNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)C1CCCC1 ZINC000767969117 1080241124 /nfs/dbraw/zinc/24/11/24/1080241124.db2.gz RHCMVMFYKPILCR-ALOPSCKCSA-N 1 0 407.555 2.439 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)C3)CC1 ZINC000785781662 1080243943 /nfs/dbraw/zinc/24/39/43/1080243943.db2.gz ATRSOBUTAMUZDY-UHFFFAOYSA-N 1 0 421.497 2.427 20 0 HEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C)CC(C)C ZINC000767974304 1080244292 /nfs/dbraw/zinc/24/42/92/1080244292.db2.gz IEDXKDRRFBICJY-INIZCTEOSA-N 1 0 408.518 2.339 20 0 HEADRO Cn1cnc2c1c(NC[C@H]1COCC[NH2+]1)cn(-c1ccc(OC(F)(F)F)cc1)c2=O ZINC001170050549 1080250556 /nfs/dbraw/zinc/25/05/56/1080250556.db2.gz MXXRQRWOZOIBPD-LBPRGKRZSA-N 1 0 423.395 2.023 20 0 HEADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000767958817 1080252511 /nfs/dbraw/zinc/25/25/11/1080252511.db2.gz FTVXSQZVUVDQOZ-FBVQUNGASA-N 1 0 407.555 2.391 20 0 HEADRO CC(C)(C)OC(=O)N(CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000767960520 1080252652 /nfs/dbraw/zinc/25/26/52/1080252652.db2.gz JRUMKDOYEZNFKR-RBUKOAKNSA-N 1 0 403.523 2.486 20 0 HEADRO COc1ncccc1CN1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000785808979 1080253002 /nfs/dbraw/zinc/25/30/02/1080253002.db2.gz NAJKKKLIKJRXKV-KRWDZBQOSA-N 1 0 406.527 2.476 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000785816575 1080255969 /nfs/dbraw/zinc/25/59/69/1080255969.db2.gz VZILLDLTTPWACA-AWEZNQCLSA-N 1 0 405.499 2.149 20 0 HEADRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)CC1 ZINC000767988759 1080258549 /nfs/dbraw/zinc/25/85/49/1080258549.db2.gz HBKSANFYKZKGHF-UHFFFAOYSA-N 1 0 406.502 2.094 20 0 HEADRO CC(C)c1cc(NC(=O)C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)n(-c2ncccn2)n1 ZINC000768003921 1080271454 /nfs/dbraw/zinc/27/14/54/1080271454.db2.gz SJCHMPRSTYHZCF-INIZCTEOSA-N 1 0 424.509 2.152 20 0 HEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772671978 1080281019 /nfs/dbraw/zinc/28/10/19/1080281019.db2.gz XDEXYMCSNLOQCZ-KRWDZBQOSA-N 1 0 416.349 2.476 20 0 HEADRO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000768022460 1080289073 /nfs/dbraw/zinc/28/90/73/1080289073.db2.gz YUDOPJNNVAQNQU-MRXNPFEDSA-N 1 0 409.531 2.327 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000785871313 1080290652 /nfs/dbraw/zinc/29/06/52/1080290652.db2.gz DKPFGBDWALBGPZ-UXHICEINSA-N 1 0 406.571 2.253 20 0 HEADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CCCC4(C3)OCCO4)cc2)C[C@@H](C)O1 ZINC000768028868 1080293712 /nfs/dbraw/zinc/29/37/12/1080293712.db2.gz URCIUCXGESDPNF-QZTJIDSGSA-N 1 0 403.523 2.344 20 0 HEADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CSCCS3)c2)CC1 ZINC000768109675 1080344192 /nfs/dbraw/zinc/34/41/92/1080344192.db2.gz XFTWMSMZAKSOMP-GOSISDBHSA-N 1 0 422.620 2.120 20 0 HEADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCCN(c2ncccc2F)CC1 ZINC000786001609 1080360059 /nfs/dbraw/zinc/36/00/59/1080360059.db2.gz LKSLCPNTXDFAFM-UHFFFAOYSA-N 1 0 413.497 2.002 20 0 HEADRO CC(C)[C@H](CNC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)[NH+]1CCN(C)CC1 ZINC000768126453 1080360392 /nfs/dbraw/zinc/36/03/92/1080360392.db2.gz VJUOMXPMWAZGOZ-IBGZPJMESA-N 1 0 419.570 2.108 20 0 HEADRO CC[C@]1(CO)CCCN1C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000786002816 1080363044 /nfs/dbraw/zinc/36/30/44/1080363044.db2.gz LSLWPYKQQHNMJL-HSZRJFAPSA-N 1 0 416.566 2.167 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000768129228 1080363918 /nfs/dbraw/zinc/36/39/18/1080363918.db2.gz XTRJJMIKJQMKQJ-QGZVFWFLSA-N 1 0 419.570 2.110 20 0 HEADRO O=C(NCc1ccc(-n2ccnc2)nc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000786004748 1080365609 /nfs/dbraw/zinc/36/56/09/1080365609.db2.gz GOFWNDRQDRXLPW-UHFFFAOYSA-N 1 0 424.549 2.044 20 0 HEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(O)CCc4ccccc4C3)cc2)C1 ZINC000786035256 1080381091 /nfs/dbraw/zinc/38/10/91/1080381091.db2.gz BVXKGJJGSRHSHR-YKSBVNFPSA-N 1 0 407.514 2.242 20 0 HEADRO COc1ccccc1N1CC[C@@H](OC(=O)CC2([NH+]3CCOCC3)CCCC2)C1=O ZINC000786096650 1080391340 /nfs/dbraw/zinc/39/13/40/1080391340.db2.gz NFQYDHSMGSVKMU-LJQANCHMSA-N 1 0 402.491 2.379 20 0 HEADRO C[C@@H]1CCCC[C@H]1OCCNC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786095402 1080391367 /nfs/dbraw/zinc/39/13/67/1080391367.db2.gz DHOZDXTXSBQGMP-RTBURBONSA-N 1 0 410.555 2.276 20 0 HEADRO Cc1cccc(OCCNC(=O)[C@H](C)OC(=O)CC2([NH+]3CCOCC3)CCCC2)c1 ZINC000786096069 1080391964 /nfs/dbraw/zinc/39/19/64/1080391964.db2.gz MVNJSSAUQLOPSO-IBGZPJMESA-N 1 0 418.534 2.457 20 0 HEADRO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768203144 1080394310 /nfs/dbraw/zinc/39/43/10/1080394310.db2.gz QCMMWDRFXHWVTB-IEBWSBKVSA-N 1 0 412.490 2.426 20 0 HEADRO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786103839 1080397737 /nfs/dbraw/zinc/39/77/37/1080397737.db2.gz ANYVWIQKUCNKGU-UHFFFAOYSA-N 1 0 413.522 2.017 20 0 HEADRO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)C1 ZINC000786108255 1080400913 /nfs/dbraw/zinc/40/09/13/1080400913.db2.gz IBRYJYKDSBAQBI-FQEVSTJZSA-N 1 0 423.579 2.296 20 0 HEADRO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786110280 1080402616 /nfs/dbraw/zinc/40/26/16/1080402616.db2.gz ZERTUIKFUAHTMF-PXNSSMCTSA-N 1 0 403.523 2.309 20 0 HEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000768193153 1080408594 /nfs/dbraw/zinc/40/85/94/1080408594.db2.gz WLGUKMZAKFGEGA-ONGXEEELSA-N 1 0 403.708 2.425 20 0 HEADRO CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000768194288 1080409362 /nfs/dbraw/zinc/40/93/62/1080409362.db2.gz YMPLMNCTAXVTFL-UHFFFAOYSA-N 1 0 418.513 2.379 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cnc(Cl)c(Br)c3)CC[C@@H]21 ZINC000768196012 1080412360 /nfs/dbraw/zinc/41/23/60/1080412360.db2.gz AFAOMENQOBFGAO-GWCFXTLKSA-N 1 0 415.719 2.379 20 0 HEADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCCC4(C3)OCCO4)CC2)c1 ZINC000768222541 1080426702 /nfs/dbraw/zinc/42/67/02/1080426702.db2.gz XZHYFZRDIXRPRM-HXUWFJFHSA-N 1 0 416.566 2.492 20 0 HEADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000768222218 1080427415 /nfs/dbraw/zinc/42/74/15/1080427415.db2.gz GYJRIZJKVZHABP-OAHLLOKOSA-N 1 0 414.481 2.103 20 0 HEADRO COC1CCN(CC[NH2+][C@@H](C)[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 ZINC000768225031 1080429216 /nfs/dbraw/zinc/42/92/16/1080429216.db2.gz XLQCZKFAHKHHCK-RXVVDRJESA-N 1 0 405.539 2.113 20 0 HEADRO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000768228684 1080432018 /nfs/dbraw/zinc/43/20/18/1080432018.db2.gz LIGPAWQGTNPZQU-QGZVFWFLSA-N 1 0 408.587 2.308 20 0 HEADRO C[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768252853 1080441569 /nfs/dbraw/zinc/44/15/69/1080441569.db2.gz PRPRSXPZRNCOEA-VGSWGCGISA-N 1 0 423.513 2.488 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC(O)(c3ccccc3)CC2)CC1 ZINC000768288288 1080460820 /nfs/dbraw/zinc/46/08/20/1080460820.db2.gz XRUXEWLSZBWKBP-UHFFFAOYSA-N 1 0 409.534 2.027 20 0 HEADRO 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 ZINC000768294394 1080466902 /nfs/dbraw/zinc/46/69/02/1080466902.db2.gz RAADCVDRRKEJDZ-YGPBLSMFSA-N 1 0 419.566 2.391 20 0 HEADRO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000786196966 1080467637 /nfs/dbraw/zinc/46/76/37/1080467637.db2.gz IUEDBNRBAQAYMU-IBGZPJMESA-N 1 0 424.505 2.286 20 0 HEADRO COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1C ZINC000786202942 1080470745 /nfs/dbraw/zinc/47/07/45/1080470745.db2.gz QVYVJWUEWNYBHZ-UHFFFAOYSA-N 1 0 403.483 2.150 20 0 HEADRO C[C@@H]1[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)CCN1C(=O)OC(C)(C)C ZINC000786167854 1080475717 /nfs/dbraw/zinc/47/57/17/1080475717.db2.gz WVJWDRDDLCOCPJ-NVXWUHKLSA-N 1 0 403.527 2.417 20 0 HEADRO CC(C)([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC000786174593 1080479707 /nfs/dbraw/zinc/47/97/07/1080479707.db2.gz VVHHDOKFHZCCLL-INIZCTEOSA-N 1 0 414.593 2.059 20 0 HEADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCCC3(C2)OCCO3)c1 ZINC000768324167 1080486500 /nfs/dbraw/zinc/48/65/00/1080486500.db2.gz WQDRYQRKNLWXTR-LJQANCHMSA-N 1 0 421.538 2.129 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(CCC(=O)OC)c2)CC1=O ZINC000786218465 1080504181 /nfs/dbraw/zinc/50/41/81/1080504181.db2.gz HBCSPMOSXRMHPJ-MJGOQNOKSA-N 1 0 401.507 2.064 20 0 HEADRO Cc1cccc(C2(O)CCN(C(=O)NCCCC[NH+]3CCN(C)CC3)CC2)c1C ZINC000768361161 1080511973 /nfs/dbraw/zinc/51/19/73/1080511973.db2.gz LDNHCZPVIMRHKW-UHFFFAOYSA-N 1 0 402.583 2.324 20 0 HEADRO COC[C@H]1CCCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000768364062 1080513318 /nfs/dbraw/zinc/51/33/18/1080513318.db2.gz XAOMOWQKFFGSST-SFHVURJKSA-N 1 0 402.539 2.042 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000786290620 1080535707 /nfs/dbraw/zinc/53/57/07/1080535707.db2.gz AUYFBCGOKXTIKP-BRWVUGGUSA-N 1 0 403.523 2.213 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000786301648 1080544359 /nfs/dbraw/zinc/54/43/59/1080544359.db2.gz BWTCGTKDKXBBJW-FQEVSTJZSA-N 1 0 411.502 2.458 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)ccc1OC(C)C ZINC000786328532 1080564089 /nfs/dbraw/zinc/56/40/89/1080564089.db2.gz XLNAVFOZGATQGA-UHFFFAOYSA-N 1 0 405.539 2.335 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000786333374 1080566619 /nfs/dbraw/zinc/56/66/19/1080566619.db2.gz NBIPHZINQZVNFG-GOSISDBHSA-N 1 0 424.586 2.129 20 0 HEADRO CC(C)C[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)nc1)C(=O)NCC[NH+](C)C ZINC000768485889 1080578291 /nfs/dbraw/zinc/57/82/91/1080578291.db2.gz BLYHZHMWEXJVTA-IBGZPJMESA-N 1 0 422.533 2.243 20 0 HEADRO CC[NH+]1CCC(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)CC1 ZINC000768455592 1080579732 /nfs/dbraw/zinc/57/97/32/1080579732.db2.gz YBHGKLGGTWEGQG-UHFFFAOYSA-N 1 0 418.567 2.139 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000786384829 1080580715 /nfs/dbraw/zinc/58/07/15/1080580715.db2.gz TYLGPEMHIDIEBT-UHFFFAOYSA-N 1 0 401.507 2.208 20 0 HEADRO CC(C)(C)OC(=O)NC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000786392912 1080583774 /nfs/dbraw/zinc/58/37/74/1080583774.db2.gz PAUQYKPQUCLWHA-IAGOWNOFSA-N 1 0 422.570 2.073 20 0 HEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786394902 1080584795 /nfs/dbraw/zinc/58/47/95/1080584795.db2.gz YAZDSSCMLDEQMC-KRWDZBQOSA-N 1 0 424.586 2.321 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000786394234 1080585134 /nfs/dbraw/zinc/58/51/34/1080585134.db2.gz XUINOFRIZSLLQD-CEXWTWQISA-N 1 0 407.461 2.342 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000786394236 1080585275 /nfs/dbraw/zinc/58/52/75/1080585275.db2.gz XUINOFRIZSLLQD-GUDVDZBRSA-N 1 0 407.461 2.342 20 0 HEADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)C[N@@H+]1C1CC1 ZINC000786409317 1080589644 /nfs/dbraw/zinc/58/96/44/1080589644.db2.gz MCCOASGPHBMNKJ-HOTGVXAUSA-N 1 0 422.570 2.072 20 0 HEADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786410797 1080590502 /nfs/dbraw/zinc/59/05/02/1080590502.db2.gz BWJIPLPTWWAPDO-UHFFFAOYSA-N 1 0 424.586 2.130 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786412958 1080591358 /nfs/dbraw/zinc/59/13/58/1080591358.db2.gz LRPSTJYADNVUMW-IAGOWNOFSA-N 1 0 424.586 2.129 20 0 HEADRO Cc1nc(Cn2nnc(C(=O)OC[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2C)no1 ZINC000786420262 1080594347 /nfs/dbraw/zinc/59/43/47/1080594347.db2.gz KWGNBWKUSYDVKE-SFHVURJKSA-N 1 0 410.478 2.395 20 0 HEADRO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1=O ZINC000768502027 1080595374 /nfs/dbraw/zinc/59/53/74/1080595374.db2.gz KJFGPFHVAMPGDZ-ZWDAVXSWSA-N 1 0 400.523 2.226 20 0 HEADRO Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)no1 ZINC000786427621 1080596641 /nfs/dbraw/zinc/59/66/41/1080596641.db2.gz PUUKPHKLDBQLRO-UHFFFAOYSA-N 1 0 407.474 2.404 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCc3ccc(CC[NH+](C)C)cc3)cc2)CCO1 ZINC000786428432 1080597049 /nfs/dbraw/zinc/59/70/49/1080597049.db2.gz RYIYHLZKZQPNQI-GOSISDBHSA-N 1 0 424.545 2.271 20 0 HEADRO C[C@H](OC(=O)Cc1n[nH]c2ccccc12)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746587422 1080617980 /nfs/dbraw/zinc/61/79/80/1080617980.db2.gz XWZGLNKZGMBINF-WMZOPIPTSA-N 1 0 406.486 2.428 20 0 HEADRO CCC[N@H+](CC(=O)NCC(=O)NC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768553183 1080624468 /nfs/dbraw/zinc/62/44/68/1080624468.db2.gz QHXFRNQDTMSCGQ-UHFFFAOYSA-N 1 0 412.575 2.129 20 0 HEADRO CCOC(=O)C1(C(=O)O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000768605495 1080679577 /nfs/dbraw/zinc/67/95/77/1080679577.db2.gz PRZADXXORCTRPB-INIZCTEOSA-N 1 0 402.491 2.042 20 0 HEADRO CC(C)(C)OC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000768648025 1080698052 /nfs/dbraw/zinc/69/80/52/1080698052.db2.gz YMMLQFVCQOMEMI-LJQANCHMSA-N 1 0 405.539 2.244 20 0 HEADRO C[C@H](NC(=O)C(=O)NCc1ccc(Cl)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000786603136 1080703165 /nfs/dbraw/zinc/70/31/65/1080703165.db2.gz OAEBPSOUTZWKSK-MAUKXSAKSA-N 1 0 400.910 2.378 20 0 HEADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)nc2)CC1 ZINC000786601563 1080703272 /nfs/dbraw/zinc/70/32/72/1080703272.db2.gz FYJOWYOSHDGNJV-CQSZACIVSA-N 1 0 401.898 2.088 20 0 HEADRO O=C(NCc1ccc(Cl)nc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000786605877 1080705469 /nfs/dbraw/zinc/70/54/69/1080705469.db2.gz SFHWNRKRXUACIA-UHFFFAOYSA-N 1 0 406.939 2.441 20 0 HEADRO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)[NH+]1CCCCCC1 ZINC000786629957 1080725235 /nfs/dbraw/zinc/72/52/35/1080725235.db2.gz USHILFUQUAIFBT-DLBZAZTESA-N 1 0 412.575 2.033 20 0 HEADRO Cc1ccc(N2CCCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)cc1 ZINC000768716519 1080731931 /nfs/dbraw/zinc/73/19/31/1080731931.db2.gz LHQDZQJTSQILRS-UHFFFAOYSA-N 1 0 404.474 2.253 20 0 HEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C)CC(C)C ZINC000786652384 1080734708 /nfs/dbraw/zinc/73/47/08/1080734708.db2.gz ZVUGCIMNRZCKLW-SJORKVTESA-N 1 0 406.575 2.177 20 0 HEADRO COc1ccc(OC)c(CCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000786684739 1080757264 /nfs/dbraw/zinc/75/72/64/1080757264.db2.gz RYJWBVJDQJJCID-UHFFFAOYSA-N 1 0 417.550 2.276 20 0 HEADRO C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1cccc(NS(C)(=O)=O)c1 ZINC000786706340 1080764277 /nfs/dbraw/zinc/76/42/77/1080764277.db2.gz PKXSHNDVTSAJFF-CQSZACIVSA-N 1 0 420.539 2.404 20 0 HEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCCc3cscn3)cc2F)CC1 ZINC000768750911 1080772896 /nfs/dbraw/zinc/77/28/96/1080772896.db2.gz NVLGDOCNRAGZBH-UHFFFAOYSA-N 1 0 419.526 2.110 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=S)N=NC2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000746607710 1080815451 /nfs/dbraw/zinc/81/54/51/1080815451.db2.gz JDMNAIKAPPOQGM-WMLDXEAASA-N 1 0 403.552 2.431 20 0 HEADRO C[C@H](OC(=O)C[C@H]1c2ccccc2NC1=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746609834 1080828232 /nfs/dbraw/zinc/82/82/32/1080828232.db2.gz KLZMWNGJXMNWST-QRFRQXIXSA-N 1 0 421.497 2.435 20 0 HEADRO COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786797685 1080832468 /nfs/dbraw/zinc/83/24/68/1080832468.db2.gz LOZAMVMSVXPHKU-CRAIPNDOSA-N 1 0 415.490 2.324 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](O)Cc3cnn(C)c3)cc2Cl)CC1 ZINC000786819992 1080843859 /nfs/dbraw/zinc/84/38/59/1080843859.db2.gz SQWJEDZBDDMHBB-IBGZPJMESA-N 1 0 405.930 2.148 20 0 HEADRO CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000786822527 1080845011 /nfs/dbraw/zinc/84/50/11/1080845011.db2.gz ZWPRNCOQNBBAHY-QGZVFWFLSA-N 1 0 416.518 2.168 20 0 HEADRO CC(C)(C)OC(=O)NCc1cccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000786867330 1080861153 /nfs/dbraw/zinc/86/11/53/1080861153.db2.gz UIKRQPAVIVOPSK-GOSISDBHSA-N 1 0 418.538 2.029 20 0 HEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc3nc(Cl)sc3c2)CC1 ZINC000786868395 1080861528 /nfs/dbraw/zinc/86/15/28/1080861528.db2.gz DHEBPIPQFUHRAI-LBPRGKRZSA-N 1 0 402.973 2.254 20 0 HEADRO O=C(Nc1ccc(-n2nccn2)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000768967534 1080868795 /nfs/dbraw/zinc/86/87/95/1080868795.db2.gz NFHKZBUEPAOQFV-WIYYLYMNSA-N 1 0 406.490 2.272 20 0 HEADRO O=C(Nc1ccc(CN2CCOC2=O)cc1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000768971045 1080870029 /nfs/dbraw/zinc/87/00/29/1080870029.db2.gz VLTCUUMVFNVZBZ-OALUTQOASA-N 1 0 402.495 2.138 20 0 HEADRO C[C@H](NC(=O)CNC(=O)COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000786890325 1080870554 /nfs/dbraw/zinc/87/05/54/1080870554.db2.gz LGWHFWHPAVBQEA-KXBFYZLASA-N 1 0 419.497 2.069 20 0 HEADRO COCCOC(=O)Nc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000768977271 1080871472 /nfs/dbraw/zinc/87/14/72/1080871472.db2.gz QXTGTETTXCIZJF-RBUKOAKNSA-N 1 0 420.510 2.381 20 0 HEADRO CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)c3ccc(N4CCNC4=O)cc3)C2)nc1 ZINC000786907043 1080878485 /nfs/dbraw/zinc/87/84/85/1080878485.db2.gz GPNSXGBCYXSYAE-OAHLLOKOSA-N 1 0 409.490 2.327 20 0 HEADRO COC(=O)NCc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000768993917 1080879796 /nfs/dbraw/zinc/87/97/96/1080879796.db2.gz DGIOOHFFKVNVPL-OALUTQOASA-N 1 0 404.511 2.432 20 0 HEADRO CC(C)(C)OC(=O)NCc1cccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000786912670 1080880814 /nfs/dbraw/zinc/88/08/14/1080880814.db2.gz UBEGSLWQSOGCIC-RTBURBONSA-N 1 0 403.523 2.383 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccn3c(I)cnc23)C1 ZINC000768955795 1080882665 /nfs/dbraw/zinc/88/26/65/1080882665.db2.gz FZAJDNZJGLWVIO-GXTWGEPZSA-N 1 0 424.286 2.495 20 0 HEADRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCc1ccccc1Cn1cccn1 ZINC000786885316 1080886019 /nfs/dbraw/zinc/88/60/19/1080886019.db2.gz XCGNCROFLJRPHP-NRFANRHFSA-N 1 0 410.518 2.498 20 0 HEADRO COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000786884722 1080886438 /nfs/dbraw/zinc/88/64/38/1080886438.db2.gz RLZDUFIQXQIVFW-BEFAXECRSA-N 1 0 402.491 2.428 20 0 HEADRO COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000786884724 1080886488 /nfs/dbraw/zinc/88/64/88/1080886488.db2.gz RLZDUFIQXQIVFW-HNAYVOBHSA-N 1 0 402.491 2.428 20 0 HEADRO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCc1ccc(N2CCCC2=O)cc1 ZINC000786887724 1080887802 /nfs/dbraw/zinc/88/78/02/1080887802.db2.gz DTOWEJSHYORGIN-HXUWFJFHSA-N 1 0 413.518 2.380 20 0 HEADRO Cc1ccc(S(=O)(=O)NCC(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)cc1C ZINC000769045992 1080893868 /nfs/dbraw/zinc/89/38/68/1080893868.db2.gz QVLNLTLHMMHBTE-UHFFFAOYSA-N 1 0 408.495 2.396 20 0 HEADRO O=C(Nc1ccn(Cc2ccccn2)n1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000768996525 1080894793 /nfs/dbraw/zinc/89/47/93/1080894793.db2.gz RQNJCIDCDVUYNC-PZJWPPBQSA-N 1 0 420.517 2.331 20 0 HEADRO CCOC(CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)OCC ZINC000786969977 1080895683 /nfs/dbraw/zinc/89/56/83/1080895683.db2.gz IGBOJEGHOFJADM-INIZCTEOSA-N 1 0 400.541 2.147 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cn2)CC1 ZINC000769091095 1080902278 /nfs/dbraw/zinc/90/22/78/1080902278.db2.gz ZAKUDJZDLKBXSX-GOSISDBHSA-N 1 0 419.570 2.389 20 0 HEADRO C[N@H+](CCOC(=O)CNS(=O)(=O)c1ccc(Cl)s1)Cc1ccc(F)cc1 ZINC000769095940 1080906100 /nfs/dbraw/zinc/90/61/00/1080906100.db2.gz SGZNMZCOPWJBLF-UHFFFAOYSA-N 1 0 420.915 2.494 20 0 HEADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000746622286 1080926006 /nfs/dbraw/zinc/92/60/06/1080926006.db2.gz BCZUKPQEPAYXHO-HNNXBMFYSA-N 1 0 409.534 2.448 20 0 HEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769190823 1080964032 /nfs/dbraw/zinc/96/40/32/1080964032.db2.gz ZMNKCNDMUDXXEQ-XLIONFOSSA-N 1 0 416.566 2.273 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000769153703 1080971615 /nfs/dbraw/zinc/97/16/15/1080971615.db2.gz JRZMRWIGMQUTFH-BHIYHBOVSA-N 1 0 424.586 2.311 20 0 HEADRO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCN1C(=O)OC(C)(C)C ZINC000769154811 1080973543 /nfs/dbraw/zinc/97/35/43/1080973543.db2.gz METOONOMDBXPOF-NJAFHUGGSA-N 1 0 410.559 2.015 20 0 HEADRO CNC(=O)c1ccc(CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C2CC2)cc1 ZINC000769152990 1080973570 /nfs/dbraw/zinc/97/35/70/1080973570.db2.gz WFUPDGQPAHAOLP-RTWAWAEBSA-N 1 0 414.550 2.098 20 0 HEADRO CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000769155972 1080974243 /nfs/dbraw/zinc/97/42/43/1080974243.db2.gz QQRPZAXENGAKQU-HMXCVIKNSA-N 1 0 422.614 2.482 20 0 HEADRO O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000769157567 1080975861 /nfs/dbraw/zinc/97/58/61/1080975861.db2.gz WKXFBMMHZXYXTO-KURKYZTESA-N 1 0 415.456 2.416 20 0 HEADRO O=C(COC(=O)C(F)(F)C1(O)CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000769158454 1080976411 /nfs/dbraw/zinc/97/64/11/1080976411.db2.gz BGMBFSNANKUHQM-UHFFFAOYSA-N 1 0 410.461 2.382 20 0 HEADRO CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000769159008 1080976958 /nfs/dbraw/zinc/97/69/58/1080976958.db2.gz CHZVRQWKGVADCZ-KURKYZTESA-N 1 0 410.559 2.063 20 0 HEADRO CN(Cc1cnn(-c2ccccc2)n1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000769161111 1080979519 /nfs/dbraw/zinc/97/95/19/1080979519.db2.gz LLQDWBCAOMPVGL-LEWJYISDSA-N 1 0 412.538 2.177 20 0 HEADRO COc1cc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)ccc1OCC(N)=O ZINC000772693980 1080981376 /nfs/dbraw/zinc/98/13/76/1080981376.db2.gz POMXXLPHVRNPIK-UHFFFAOYSA-N 1 0 402.447 2.221 20 0 HEADRO CC(C)(C)OC(=O)NCC(C)(C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000769164860 1080981318 /nfs/dbraw/zinc/98/13/18/1080981318.db2.gz WBMSKAABTYUTKR-IRXDYDNUSA-N 1 0 412.575 2.357 20 0 HEADRO CN(CCCNC(=O)OC(C)(C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000769166738 1080983572 /nfs/dbraw/zinc/98/35/72/1080983572.db2.gz OPGKDWLEUQYFEE-ZWKOTPCHSA-N 1 0 412.575 2.311 20 0 HEADRO CC(=O)Nc1cccc([C@@H](C)NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)c1 ZINC000787085316 1080989206 /nfs/dbraw/zinc/98/92/06/1080989206.db2.gz SDCNAUMWPJCAGY-GOSISDBHSA-N 1 0 424.545 2.455 20 0 HEADRO O=C(NCC1(c2ccc(F)cc2)CCC1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787111047 1081004688 /nfs/dbraw/zinc/00/46/88/1081004688.db2.gz XNMJTYHHYWOLFZ-FQEVSTJZSA-N 1 0 417.525 2.123 20 0 HEADRO O=C(NCCCc1cccc(Cl)c1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787115733 1081006584 /nfs/dbraw/zinc/00/65/84/1081006584.db2.gz MHJPDCPXGISGEE-LJQANCHMSA-N 1 0 407.942 2.148 20 0 HEADRO CSCc1cc(F)ccc1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787121204 1081009561 /nfs/dbraw/zinc/00/95/61/1081009561.db2.gz DXJVLJKRGDXUDH-IBGZPJMESA-N 1 0 423.554 2.065 20 0 HEADRO CC1(C)CC([N@@H+]2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)CC(C)(C)N1O ZINC001170001890 1081011058 /nfs/dbraw/zinc/01/10/58/1081011058.db2.gz MCPDHXAFIVIZLW-GCJKJVERSA-N 1 0 409.571 2.127 20 0 HEADRO O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787099507 1081012368 /nfs/dbraw/zinc/01/23/68/1081012368.db2.gz ACMFTNXMIWDRRK-QMMLZNLJSA-N 1 0 417.525 2.338 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000787100707 1081012599 /nfs/dbraw/zinc/01/25/99/1081012599.db2.gz CXGXCPFPUYZDMX-QAPCUYQASA-N 1 0 421.538 2.238 20 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CSc1cc(C)ccc1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787130978 1081020067 /nfs/dbraw/zinc/02/00/67/1081020067.db2.gz QUKUEEYFBSUVIC-SFHVURJKSA-N 1 0 405.564 2.093 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000787135619 1081021908 /nfs/dbraw/zinc/02/19/08/1081021908.db2.gz CBEOCPUWTSNIMW-YADHBBJMSA-N 1 0 413.562 2.370 20 0 HEADRO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)Sc1ccccc1 ZINC000787136298 1081022757 /nfs/dbraw/zinc/02/27/57/1081022757.db2.gz GIJQEINUDANFMG-WMZOPIPTSA-N 1 0 405.564 2.043 20 0 HEADRO CC[C@H](CSc1ccccc1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787142263 1081026388 /nfs/dbraw/zinc/02/63/88/1081026388.db2.gz YCPDOYCQXCCBOS-IEBWSBKVSA-N 1 0 419.591 2.433 20 0 HEADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)N1CCCC2(C1)OCCO2 ZINC000787156695 1081033858 /nfs/dbraw/zinc/03/38/58/1081033858.db2.gz GYGLRQMHGGAQAO-SFHVURJKSA-N 1 0 415.534 2.043 20 0 HEADRO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787128868 1081035737 /nfs/dbraw/zinc/03/57/37/1081035737.db2.gz WGJLACCUIHXQDG-SFHLNBCPSA-N 1 0 413.562 2.459 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000787158909 1081036556 /nfs/dbraw/zinc/03/65/56/1081036556.db2.gz OUDLWJCGIXQTEZ-JWRCQZCYSA-N 1 0 421.607 2.341 20 0 HEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000787164424 1081040940 /nfs/dbraw/zinc/04/09/40/1081040940.db2.gz SIHCBTQGSWMVQG-INIZCTEOSA-N 1 0 410.559 2.281 20 0 HEADRO COC(=O)C1(NC(=O)C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC000746659752 1081043502 /nfs/dbraw/zinc/04/35/02/1081043502.db2.gz YRMOXOZZYZUQED-UHFFFAOYSA-N 1 0 411.543 2.310 20 0 HEADRO CC(=O)N[C@H](CC1CCC1)C(=O)O[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000787175487 1081044886 /nfs/dbraw/zinc/04/48/86/1081044886.db2.gz IICWIQPVXGGYLI-TYCQWZJGSA-N 1 0 415.534 2.004 20 0 HEADRO CC1CC[NH+](CCCNC(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000769350800 1081051962 /nfs/dbraw/zinc/05/19/62/1081051962.db2.gz USOSXUVCBLMIGS-UHFFFAOYSA-N 1 0 411.493 2.484 20 0 HEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)CC1 ZINC000787221540 1081053939 /nfs/dbraw/zinc/05/39/39/1081053939.db2.gz PZLSHVZUSPNFJO-ROUUACIJSA-N 1 0 424.511 2.479 20 0 HEADRO C[N@H+](CC(=O)N1CCN(Cc2ccco2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661521 1081054596 /nfs/dbraw/zinc/05/45/96/1081054596.db2.gz MQURVXSDQDYBPA-UHFFFAOYSA-N 1 0 420.554 2.255 20 0 HEADRO CCC[NH+]1CCC(CNC(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000769367432 1081055191 /nfs/dbraw/zinc/05/51/91/1081055191.db2.gz HKXAVCAGJQULCX-UHFFFAOYSA-N 1 0 411.493 2.484 20 0 HEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769372300 1081056126 /nfs/dbraw/zinc/05/61/26/1081056126.db2.gz UWGYFKOULQPXCA-HOTGVXAUSA-N 1 0 411.493 2.482 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000787202907 1081060147 /nfs/dbraw/zinc/06/01/47/1081060147.db2.gz ORMFPQNCONRZBQ-UHFFFAOYSA-N 1 0 422.570 2.025 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000769390093 1081061034 /nfs/dbraw/zinc/06/10/34/1081061034.db2.gz RUDJRBJFTMLQTC-UHFFFAOYSA-N 1 0 411.493 2.484 20 0 HEADRO COc1ccc(C[NH+]2CCC(CNS(=O)(=O)c3cnc(Cl)n3C)CC2)cc1 ZINC000769405884 1081064467 /nfs/dbraw/zinc/06/44/67/1081064467.db2.gz UBQYFPYDYOEHTI-UHFFFAOYSA-N 1 0 412.943 2.273 20 0 HEADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000769423997 1081068773 /nfs/dbraw/zinc/06/87/73/1081068773.db2.gz IKLMZYIHKQNKEI-IEBWSBKVSA-N 1 0 418.586 2.354 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000769395630 1081076467 /nfs/dbraw/zinc/07/64/67/1081076467.db2.gz JGZNHALHWCFGPQ-QGZVFWFLSA-N 1 0 423.504 2.436 20 0 HEADRO C[N@@H+]1CCC[C@H](N2CCN(CN3C[C@@H](c4cc(F)c(F)c(F)c4)CC3=O)CC2)C1 ZINC000787222230 1081077430 /nfs/dbraw/zinc/07/74/30/1081077430.db2.gz SIEUUJJJDIVNDM-IRXDYDNUSA-N 1 0 410.484 2.089 20 0 HEADRO COc1cc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1OC(C)C ZINC000787232863 1081080644 /nfs/dbraw/zinc/08/06/44/1081080644.db2.gz HJLPICNCNKHNNX-ZWKOTPCHSA-N 1 0 403.523 2.041 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1OC(C)C ZINC000787232168 1081081152 /nfs/dbraw/zinc/08/11/52/1081081152.db2.gz NRDYOMHJBXEWOP-UHFFFAOYSA-N 1 0 405.539 2.335 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1OC(C)C ZINC000787239444 1081085585 /nfs/dbraw/zinc/08/55/85/1081085585.db2.gz LQZOPGYUYKRJJN-AYHJJNSGSA-N 1 0 403.523 2.230 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000787267489 1081100416 /nfs/dbraw/zinc/10/04/16/1081100416.db2.gz UCVRJXIHRPKGIG-RDTXWAMCSA-N 1 0 400.926 2.085 20 0 HEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc4nc(Cl)sc4c3)CC2)C1 ZINC000746668791 1081104812 /nfs/dbraw/zinc/10/48/12/1081104812.db2.gz KUXXHNBVIFDRMH-ZDUSSCGKSA-N 1 0 414.984 2.350 20 0 HEADRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000769527457 1081109535 /nfs/dbraw/zinc/10/95/35/1081109535.db2.gz MMGCMFLXOUPKCM-RDJZCZTQSA-N 1 0 407.511 2.055 20 0 HEADRO COc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1OC(=O)C1CC1 ZINC000769528740 1081110252 /nfs/dbraw/zinc/11/02/52/1081110252.db2.gz YXIVRGBMWAMPOH-YLJYHZDGSA-N 1 0 401.551 2.468 20 0 HEADRO CC(C)n1ncc2cc(CN3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c(Cl)nc21 ZINC000769532000 1081112488 /nfs/dbraw/zinc/11/24/88/1081112488.db2.gz IEOCMZJSNMGKOF-KRWDZBQOSA-N 1 0 404.946 2.404 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000769537335 1081113653 /nfs/dbraw/zinc/11/36/53/1081113653.db2.gz JCRVNGXUWZAGOC-NVXWUHKLSA-N 1 0 404.573 2.205 20 0 HEADRO CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000769537891 1081114435 /nfs/dbraw/zinc/11/44/35/1081114435.db2.gz NUJNUMAYOAXVEX-QGZVFWFLSA-N 1 0 411.591 2.100 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(=O)[nH]c1=O ZINC000769630345 1081146932 /nfs/dbraw/zinc/14/69/32/1081146932.db2.gz ICCVJVSMXPYGCG-HOTGVXAUSA-N 1 0 414.572 2.070 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c(=O)[nH]c1=O ZINC000769634642 1081153819 /nfs/dbraw/zinc/15/38/19/1081153819.db2.gz ZXFVPFFFYRVVAV-UHFFFAOYSA-N 1 0 414.572 2.072 20 0 HEADRO [NH3+]CC1(F)CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CC1 ZINC001164394188 718813472 /nfs/dbraw/zinc/81/34/72/718813472.db2.gz ZSBXEMDGTYWGGV-UHFFFAOYSA-N 1 0 405.543 2.279 20 0 HEADRO c1cnc(-c2nc3sc4c(c3c(N3CCN5CC[NH2+]C[C@@H]5C3)n2)CCCC4)cn1 ZINC001164408192 718841948 /nfs/dbraw/zinc/84/19/48/718841948.db2.gz YQEALPCDPFDQSW-CQSZACIVSA-N 1 0 407.547 2.121 20 0 HEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164615519 719019013 /nfs/dbraw/zinc/01/90/13/719019013.db2.gz IOCWGOLAOQCOOW-KGYLQXTDSA-N 1 0 418.828 2.102 20 0 HEADRO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4nc5c(c(N6CCOCC6)n4)CNC5)[C@@H]3C2)cc1 ZINC001164628032 719093901 /nfs/dbraw/zinc/09/39/01/719093901.db2.gz LVDUZOGLLKTTQM-SIKLNZKXSA-N 1 0 420.561 2.017 20 0 HEADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C[C@@H]2CF)CC1 ZINC001164626908 719116944 /nfs/dbraw/zinc/11/69/44/719116944.db2.gz JSHXLBIBDHAUJO-NWDGAFQWSA-N 1 0 405.852 2.025 20 0 HEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164635916 719138529 /nfs/dbraw/zinc/13/85/29/719138529.db2.gz XOEGLLUWVMKIKW-CQSZACIVSA-N 1 0 400.788 2.432 20 0 HEADRO COCCOc1cc2ncnc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c2cc1OCCOC ZINC001164634911 719168215 /nfs/dbraw/zinc/16/82/15/719168215.db2.gz JZWYEISKRSAZFG-HOTGVXAUSA-N 1 0 404.511 2.209 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](OCc5ccncc5)CC[C@@H]43)n2)CC1 ZINC001164646620 719294222 /nfs/dbraw/zinc/29/42/22/719294222.db2.gz PBXSBFOJNKTHEX-JTAQYXEDSA-N 1 0 409.534 2.181 20 0 HEADRO COc1nnc(Cl)cc1C(F)(F)n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679928 719651713 /nfs/dbraw/zinc/65/17/13/719651713.db2.gz AJGDYWBQGKJYPA-UHFFFAOYSA-N 1 0 400.861 2.419 20 0 HEADRO CN1CCc2nc(Cl)nc(N(c3ncccc3F)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)c2C1 ZINC001164692858 719760337 /nfs/dbraw/zinc/76/03/37/719760337.db2.gz WJDDLNSUZNQTOW-RBZFPXEDSA-N 1 0 418.904 2.311 20 0 HEADRO O=C1C[C@H]2[C@H](CCN2c2cccc(OCC[NH+]3CCCC3)n2)N1Cc1cccnc1 ZINC001164693166 719770540 /nfs/dbraw/zinc/77/05/40/719770540.db2.gz XVHOOAUQSHWZRS-PMACEKPBSA-N 1 0 407.518 2.331 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(C(=O)OC)cn1)CC2 ZINC001164711014 720095502 /nfs/dbraw/zinc/09/55/02/720095502.db2.gz MXYFFLLGYOPHQW-SFHVURJKSA-N 1 0 411.506 2.166 20 0 HEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1N1CCOCC1)C2 ZINC001164810041 720119109 /nfs/dbraw/zinc/11/91/09/720119109.db2.gz JIAMAJHFJHVREZ-UWJYYQICSA-N 1 0 421.973 2.151 20 0 HEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc(N(C)C)n1)CC2 ZINC001164719578 720124768 /nfs/dbraw/zinc/12/47/68/720124768.db2.gz ZIRVTCGBLLZOMR-IBGZPJMESA-N 1 0 411.554 2.149 20 0 HEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1C(=O)N(C)OC)C2 ZINC001164812376 720150188 /nfs/dbraw/zinc/15/01/88/720150188.db2.gz ABGXCNUKMYNLFF-XMSQKQJNSA-N 1 0 402.539 2.208 20 0 HEADRO Cn1nnc2c1CCN(c1nncc3ccc(F)cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716518 720184644 /nfs/dbraw/zinc/18/46/44/720184644.db2.gz GJCDLDKISYQCMK-IBGZPJMESA-N 1 0 411.485 2.114 20 0 HEADRO CCOC(=O)c1cnc(CC)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164817403 720190730 /nfs/dbraw/zinc/19/07/30/720190730.db2.gz PGIJNKVWUQUFIA-VGOFRKELSA-N 1 0 402.539 2.400 20 0 HEADRO Cc1cc2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2s1 ZINC001164715728 720192876 /nfs/dbraw/zinc/19/28/76/720192876.db2.gz MTVGLTYUAFPFND-QGZVFWFLSA-N 1 0 413.551 2.344 20 0 HEADRO Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(-c2ccco2)n1 ZINC001164716619 720199547 /nfs/dbraw/zinc/19/95/47/720199547.db2.gz QDGALUHTPDMRCK-SFHVURJKSA-N 1 0 423.521 2.390 20 0 HEADRO CC(C)Sc1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nn1 ZINC001164714740 720200577 /nfs/dbraw/zinc/20/05/77/720200577.db2.gz HRXLDEOSKGTVJL-QGZVFWFLSA-N 1 0 417.583 2.322 20 0 HEADRO Cc1cc2cccnc2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164718270 720201622 /nfs/dbraw/zinc/20/16/22/720201622.db2.gz ZECIOKUFEVYZQT-LJQANCHMSA-N 1 0 407.522 2.283 20 0 HEADRO Cn1nnc2c1CCN(c1nccc3c4c([nH]c31)CCC4)[C@H]2COCC[NH+]1CCCC1 ZINC001164719658 720204926 /nfs/dbraw/zinc/20/49/26/720204926.db2.gz SARNXXWUACBTAM-FQEVSTJZSA-N 1 0 421.549 2.396 20 0 HEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc(Cl)cnc31)CCC2 ZINC001164812914 720226769 /nfs/dbraw/zinc/22/67/69/720226769.db2.gz KGOXYPIYAQPWQQ-UHFFFAOYSA-N 1 0 413.913 2.485 20 0 HEADRO COCc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(SC)n1 ZINC001164830210 720316451 /nfs/dbraw/zinc/31/64/51/720316451.db2.gz PCTHONMHTFZHBB-ZWKOTPCHSA-N 1 0 419.595 2.256 20 0 HEADRO CCOC(=O)c1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1C ZINC001164834301 720322089 /nfs/dbraw/zinc/32/20/89/720322089.db2.gz ZCGJOHGSWJBFQP-PMACEKPBSA-N 1 0 414.550 2.478 20 0 HEADRO CCOc1c(Cl)ncnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833421 720322305 /nfs/dbraw/zinc/32/23/05/720322305.db2.gz XAUGEUIJBSPYOG-HZPDHXFCSA-N 1 0 407.946 2.440 20 0 HEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccnc(-c3cccnc3)n2)CC1 ZINC001164828957 720324304 /nfs/dbraw/zinc/32/43/04/720324304.db2.gz KXRBNKZOEZZRIP-PMACEKPBSA-N 1 0 406.534 2.450 20 0 HEADRO CCOC(=O)c1c(C)ccnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831971 720330223 /nfs/dbraw/zinc/33/02/23/720330223.db2.gz SNEJVTDHDYIWHF-MOPGFXCFSA-N 1 0 414.550 2.478 20 0 HEADRO Clc1ncc(N2CCOCC2)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164721641 720387748 /nfs/dbraw/zinc/38/77/48/720387748.db2.gz ADWZLWBKTOYHMN-IAGOWNOFSA-N 1 0 400.914 2.215 20 0 HEADRO Clc1ncc(N2CCOCC2)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164721643 720388899 /nfs/dbraw/zinc/38/88/99/720388899.db2.gz ADWZLWBKTOYHMN-IRXDYDNUSA-N 1 0 400.914 2.215 20 0 HEADRO CCOC(=O)N1CCc2nnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cc2C1 ZINC001164727682 720441626 /nfs/dbraw/zinc/44/16/26/720441626.db2.gz DWOKODQGAPEGPI-VQTJNVASSA-N 1 0 408.506 2.239 20 0 HEADRO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cc2C1 ZINC001164731572 720484169 /nfs/dbraw/zinc/48/41/69/720484169.db2.gz WMQFSHMABDTDIQ-UIFIKXQLSA-N 1 0 407.518 2.393 20 0 HEADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncccc2C(=O)NCc2ccccc2)C1 ZINC001164729168 720507795 /nfs/dbraw/zinc/50/77/95/720507795.db2.gz HUBJCIWAEMRAFU-IBGZPJMESA-N 1 0 404.518 2.406 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C(N)=O)cc(Cl)n3)CC[C@@H]21 ZINC001164833297 720511068 /nfs/dbraw/zinc/51/10/68/720511068.db2.gz CZGRKDSRODUGBO-ULQDDVLXSA-N 1 0 402.930 2.408 20 0 HEADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)ncc3C(N)=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837130 720514408 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HBABWOAFYOOTQS-UHFFFAOYSA-N 1 0 406.490 2.271 20 0 HEADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164837275 720558905 /nfs/dbraw/zinc/55/89/05/720558905.db2.gz LOQLKHLRXQAULF-JFIYKMOQSA-N 1 0 423.521 2.319 20 0 HEADRO COCCOc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nn1 ZINC001164840086 720611260 /nfs/dbraw/zinc/61/12/60/720611260.db2.gz OZEDBATYYBNUIK-CEXWTWQISA-N 1 0 400.527 2.076 20 0 HEADRO Clc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164742635 720668962 /nfs/dbraw/zinc/66/89/62/720668962.db2.gz WERIESRKVZZHFF-JKSUJKDBSA-N 1 0 409.881 2.324 20 0 HEADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nc2c1 ZINC001164737318 720676165 /nfs/dbraw/zinc/67/61/65/720676165.db2.gz FTGVUOBNOUBQPR-DZGCQCFKSA-N 1 0 412.881 2.424 20 0 HEADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1 ZINC001164736934 720703722 /nfs/dbraw/zinc/70/37/22/720703722.db2.gz CITBBZGCTTUVEU-LSDHHAIUSA-N 1 0 403.870 2.044 20 0 HEADRO COc1ccc2nc(Cl)cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2n1 ZINC001164742549 720708257 /nfs/dbraw/zinc/70/82/57/720708257.db2.gz VNMLAPCNVWZZLM-ZIAGYGMSSA-N 1 0 412.881 2.424 20 0 HEADRO COc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c21 ZINC001164740086 720709860 /nfs/dbraw/zinc/70/98/60/720709860.db2.gz PSAAZHLOQVZLTR-KBPBESRZSA-N 1 0 412.881 2.424 20 0 HEADRO COc1cccc(Oc2cncc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164745926 720733767 /nfs/dbraw/zinc/73/37/67/720733767.db2.gz WVKNZVLRCJUJGL-LPHOPBHVSA-N 1 0 420.473 2.409 20 0 HEADRO c1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(N3CCCC3)nc2c1 ZINC001164745874 720754188 /nfs/dbraw/zinc/75/41/88/720754188.db2.gz WBTTWPRRFLAEFD-ROUUACIJSA-N 1 0 417.517 2.362 20 0 HEADRO COc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741766 720811724 /nfs/dbraw/zinc/81/17/24/720811724.db2.gz BWSXNBCYBPUNRJ-OWCLPIDISA-N 1 0 403.918 2.110 20 0 HEADRO COc1cnc(SC)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745950 720813319 /nfs/dbraw/zinc/81/33/19/720813319.db2.gz KVLKHAODEOHZQD-GVDBMIGSSA-N 1 0 415.567 2.178 20 0 HEADRO CCOC(=O)Cc1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737650 720816282 /nfs/dbraw/zinc/81/62/82/720816282.db2.gz BGPUXFZODCIZFG-PCCBWWKXSA-N 1 0 424.549 2.158 20 0 HEADRO C[N@H+](Cc1ccc(N2C[C@H]3COC[C@@]3(C(=O)NCCc3ccccc3)C2)nc1)C1CC1 ZINC001164849305 720817064 /nfs/dbraw/zinc/81/70/64/720817064.db2.gz FLCDFXCFGKYLTD-OFVILXPXSA-N 1 0 420.557 2.488 20 0 HEADRO COc1c(Cl)nc(C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740162 720828518 /nfs/dbraw/zinc/82/85/18/720828518.db2.gz JFVHZKANMWSFHP-BRWVUGGUSA-N 1 0 417.945 2.418 20 0 HEADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cc(OCC5CC5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164747467 720834822 /nfs/dbraw/zinc/83/48/22/720834822.db2.gz QOXDDSCDMUIXNY-VAMGGRTRSA-N 1 0 409.538 2.236 20 0 HEADRO 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NC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754834 720872708 /nfs/dbraw/zinc/87/27/08/720872708.db2.gz TWNWJLAFGVPHFJ-ZJSXRUAMSA-N 1 0 421.545 2.331 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(C(=O)N4CCC[C@@H](C)C4)cn3)CC[C@@H]2C1 ZINC001164857527 720874849 /nfs/dbraw/zinc/87/48/49/720874849.db2.gz JVHGWKYSBMGHFO-HMXCVIKNSA-N 1 0 416.566 2.127 20 0 HEADRO COc1ccc2nc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c(C)cc2c1 ZINC001164751348 720945427 /nfs/dbraw/zinc/94/54/27/720945427.db2.gz LLGPPDZBZFCIQV-UHFFFAOYSA-N 1 0 409.490 2.394 20 0 HEADRO CCc1nc(Cl)c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c(Cl)n1 ZINC001164754843 720964756 /nfs/dbraw/zinc/96/47/56/720964756.db2.gz YJACNJRIOPHCIY-UHFFFAOYSA-N 1 0 413.309 2.188 20 0 HEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164753684 720968404 /nfs/dbraw/zinc/96/84/04/720968404.db2.gz IAANJXIUPQMAFQ-UHFFFAOYSA-N 1 0 416.482 2.186 20 0 HEADRO COC(=O)c1ccc2cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164869961 721056635 /nfs/dbraw/zinc/05/66/35/721056635.db2.gz USSQXPXTZZXMAJ-WOJBJXKFSA-N 1 0 419.485 2.291 20 0 HEADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870492 721057116 /nfs/dbraw/zinc/05/71/16/721057116.db2.gz WCHPWJPPFGZRMR-MOPGFXCFSA-N 1 0 419.485 2.291 20 0 HEADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870494 721057656 /nfs/dbraw/zinc/05/76/56/721057656.db2.gz WCHPWJPPFGZRMR-OALUTQOASA-N 1 0 419.485 2.291 20 0 HEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)C[C@H]3C2)cn1 ZINC001164770471 721090324 /nfs/dbraw/zinc/09/03/24/721090324.db2.gz QMNYVYDSAYPNCB-IAGOWNOFSA-N 1 0 406.490 2.093 20 0 HEADRO COC(=O)c1ccc(Cl)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864467 721097261 /nfs/dbraw/zinc/09/72/61/721097261.db2.gz GBAQMCNGMJWEAM-HOTGVXAUSA-N 1 0 402.882 2.396 20 0 HEADRO CCOC(=O)c1ncnc(Cl)c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880461 721129371 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CDXLWVHWIXAADM-ZWKOTPCHSA-N 1 0 421.505 2.322 20 0 HEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)COc4ccc(Cl)nn4)C[C@@H]3C2)cn1 ZINC001164772342 721198845 /nfs/dbraw/zinc/19/88/45/721198845.db2.gz SNLIOJPRCPYCFT-CABCVRRESA-N 1 0 412.872 2.289 20 0 HEADRO COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764683 721242515 /nfs/dbraw/zinc/24/25/15/721242515.db2.gz PMNCKHWNFKRPPE-UONOGXRCSA-N 1 0 412.872 2.375 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@@H]43)n2)CC1 ZINC001164878059 721249480 /nfs/dbraw/zinc/24/94/80/721249480.db2.gz SBVCRLNCTJWGMP-ACRUOGEOSA-N 1 0 409.534 2.434 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3cccc(Cl)n3)CC2)C1 ZINC001164872698 721262581 /nfs/dbraw/zinc/26/25/81/721262581.db2.gz FDIZBCTXIYUMOP-UHFFFAOYSA-N 1 0 416.900 2.287 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cnc4cccc(Cl)c4n3)CC2)C1 ZINC001164869410 721267075 /nfs/dbraw/zinc/26/70/75/721267075.db2.gz NREKXHDMSIUJOU-UHFFFAOYSA-N 1 0 417.941 2.290 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4cc(Cl)ccc43)CC2)C1 ZINC001164869434 721269029 /nfs/dbraw/zinc/26/90/29/721269029.db2.gz OEUFIKZFQIVRSW-UHFFFAOYSA-N 1 0 417.941 2.290 20 0 HEADRO O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]2C1 ZINC001164879537 721309817 /nfs/dbraw/zinc/30/98/17/721309817.db2.gz NIDLWTUHPGDDOW-BGYRXZFFSA-N 1 0 412.559 2.434 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@@H]43)n2)CC1 ZINC001164877815 721313431 /nfs/dbraw/zinc/31/34/31/721313431.db2.gz JUCWKCBEPJWVRD-HSALFYBXSA-N 1 0 409.534 2.291 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5nc(Cl)ccc54)C3)O2)CC1 ZINC001164886325 721390374 /nfs/dbraw/zinc/39/03/74/721390374.db2.gz FEJJEHKOINDFTI-KKSFZXQISA-N 1 0 416.957 2.444 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5ncccc5nc4Cl)C3)O2)CC1 ZINC001164890336 721409259 /nfs/dbraw/zinc/40/92/59/721409259.db2.gz SEAQAUFVAKZWBI-HRAATJIYSA-N 1 0 416.957 2.444 20 0 HEADRO CCOC(=O)c1cc(C)cnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885866 721412260 /nfs/dbraw/zinc/41/22/60/721412260.db2.gz HSKCAHVUVNZVEN-AUSIDOKSSA-N 1 0 416.566 2.332 20 0 HEADRO COc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2ccccc21 ZINC001164890601 721418723 /nfs/dbraw/zinc/41/87/23/721418723.db2.gz UCZIMCQSLPSTME-JPYJTQIMSA-N 1 0 411.550 2.404 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cncc(Cl)n4)C3)O2)CC1 ZINC001164895387 721427137 /nfs/dbraw/zinc/42/71/37/721427137.db2.gz OGRIHSNMQNCNSW-YJBOKZPZSA-N 1 0 415.916 2.440 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccccn5)ncn4)C3)O2)CC1 ZINC001164894862 721437859 /nfs/dbraw/zinc/43/78/59/721437859.db2.gz MSRZEOKWFWJRRD-XXBNENTESA-N 1 0 408.550 2.304 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccnc4OC4CCC4)C3)O2)CC1 ZINC001164898784 721444900 /nfs/dbraw/zinc/44/49/00/721444900.db2.gz XFTHPYSTUBYWQQ-DENIHFKCSA-N 1 0 401.555 2.173 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@H](F)Oc4cncc(Cl)n4)C3)O2)CC1 ZINC001164890278 721445685 /nfs/dbraw/zinc/44/56/85/721445685.db2.gz CYQQYHSXMIZUJH-SNRMKQJTSA-N 1 0 413.925 2.023 20 0 HEADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(N(C)C)nn1)CC2 ZINC001164787717 721451415 /nfs/dbraw/zinc/45/14/15/721451415.db2.gz PZAAAESHVAPSGZ-LJQANCHMSA-N 1 0 403.571 2.277 20 0 HEADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3ncn(C)c3n1)CC2 ZINC001164784912 721458476 /nfs/dbraw/zinc/45/84/76/721458476.db2.gz KSRLZEKTMJKULM-SFHVURJKSA-N 1 0 414.554 2.097 20 0 HEADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@@H]3C2)nc1)C1CC1 ZINC001164791870 721482498 /nfs/dbraw/zinc/48/24/98/721482498.db2.gz KCXIVWGSULWLBA-UFYCRDLUSA-N 1 0 400.523 2.071 20 0 HEADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1S(N)(=O)=O)CC2 ZINC001164792757 721491195 /nfs/dbraw/zinc/49/11/95/721491195.db2.gz LLWSJOHEKKSVBS-UHFFFAOYSA-N 1 0 401.536 2.005 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4c2CCCCC4)CC3)CC1 ZINC001164794219 721512679 /nfs/dbraw/zinc/51/26/79/721512679.db2.gz LFPFTXVGFSYELU-UHFFFAOYSA-N 1 0 415.973 2.363 20 0 HEADRO CSc1nc2ccccc2c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164796742 721514736 /nfs/dbraw/zinc/51/47/36/721514736.db2.gz BBLDICYQKMOAND-UHFFFAOYSA-N 1 0 409.563 2.316 20 0 HEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)Oc2ccnc(Cl)c2)CC3)CC1 ZINC001164794700 721522070 /nfs/dbraw/zinc/52/20/70/721522070.db2.gz GKYOYGAQEYMVBU-UHFFFAOYSA-N 1 0 412.872 2.124 20 0 HEADRO CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@H]2CCCO[C@@H]12 ZINC001164795699 721526672 /nfs/dbraw/zinc/52/66/72/721526672.db2.gz RSKITCGAZXEYKB-IPMKNSEASA-N 1 0 414.941 2.039 20 0 HEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2C(N)=O)[C@H]2CCCO[C@@H]12 ZINC001164805624 721532176 /nfs/dbraw/zinc/53/21/76/721532176.db2.gz MMHYPPPMSPJIML-KVSKMBFKSA-N 1 0 401.898 2.097 20 0 HEADRO CCOC(=O)Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164906951 721539013 /nfs/dbraw/zinc/53/90/13/721539013.db2.gz MAPYLXZOFLHAMD-MJGOQNOKSA-N 1 0 400.454 2.063 20 0 HEADRO O=C1NCc2c1cc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909905 721542540 /nfs/dbraw/zinc/54/25/40/721542540.db2.gz SKNKAVDENGCRTN-UKRRQHHQSA-N 1 0 402.857 2.459 20 0 HEADRO Cc1cn(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)cn1 ZINC001164801594 721567448 /nfs/dbraw/zinc/56/74/48/721567448.db2.gz GXRSEFPVRCWELY-DXIQSLLYSA-N 1 0 405.506 2.234 20 0 HEADRO NC(=O)c1nc(Cl)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906493 721711005 /nfs/dbraw/zinc/71/10/05/721711005.db2.gz MIZHQIGZRRJMLN-SFHVURJKSA-N 1 0 422.867 2.362 20 0 HEADRO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)C[C@H]32)cc1 ZINC001165020474 721797054 /nfs/dbraw/zinc/79/70/54/721797054.db2.gz FTGPOMWFMGDRLU-FGZHOGPDSA-N 1 0 422.529 2.302 20 0 HEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cncc(-n3cncn3)n2)CC1 ZINC001165022004 721844515 /nfs/dbraw/zinc/84/45/15/721844515.db2.gz LZVRUJLHCBUTKI-UHFFFAOYSA-N 1 0 409.494 2.175 20 0 HEADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C)OCC ZINC001164921482 721863711 /nfs/dbraw/zinc/86/37/11/721863711.db2.gz CYSQPLATWNPBDL-DLBZAZTESA-N 1 0 411.978 2.286 20 0 HEADRO Cc1cc2nc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nc(N3CCOCC3)c2s1 ZINC001164921895 721869892 /nfs/dbraw/zinc/86/98/92/721869892.db2.gz DNDLPPRHGIEMHF-MSOLQXFVSA-N 1 0 416.595 2.051 20 0 HEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc(N3CCOCC3)cc2)nn1 ZINC001164932629 721885683 /nfs/dbraw/zinc/88/56/83/721885683.db2.gz JTPVHSTYPIQOKS-XZOQPEGZSA-N 1 0 422.577 2.195 20 0 HEADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc(N3CCOCC3)cc2)nn1 ZINC001164932628 721885850 /nfs/dbraw/zinc/88/58/50/721885850.db2.gz JTPVHSTYPIQOKS-PKTZIBPZSA-N 1 0 422.577 2.195 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@@H]43)n2)CC1 ZINC001164959329 722029114 /nfs/dbraw/zinc/02/91/14/722029114.db2.gz QYYSNPFUWXZBFL-UEXGIBASSA-N 1 0 413.497 2.183 20 0 HEADRO O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164962070 722034269 /nfs/dbraw/zinc/03/42/69/722034269.db2.gz XFXZCGQTEXYQMF-GBXCKJPGSA-N 1 0 421.545 2.484 20 0 HEADRO c1ccc(CN2CCc3c(ncnc3N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)C2)cc1 ZINC001164967646 722071196 /nfs/dbraw/zinc/07/11/96/722071196.db2.gz SMPOXOKNUOCTMV-OYRHEFFESA-N 1 0 405.546 2.334 20 0 HEADRO CCCNC(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972824 722140763 /nfs/dbraw/zinc/14/07/63/722140763.db2.gz ATVHWMGRCNJMEU-PZJWPPBQSA-N 1 0 409.534 2.344 20 0 HEADRO COc1cc2c(cc1F)ncnc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001981 722254872 /nfs/dbraw/zinc/25/48/72/722254872.db2.gz KHWOCUHVENRPPC-UHFFFAOYSA-N 1 0 414.485 2.463 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)c(=O)[nH]c1=O ZINC000769624976 1078478864 /nfs/dbraw/zinc/47/88/64/1078478864.db2.gz GQPZRJDNDJQGPC-MRXNPFEDSA-N 1 0 414.572 2.072 20 0 HEADRO COC(=O)/C=C1/SCC(=O)N1CCCN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000745456121 1078490608 /nfs/dbraw/zinc/49/06/08/1078490608.db2.gz RLEPGIYMQYFWPK-XSFVSMFZSA-N 1 0 403.548 2.093 20 0 HEADRO C[C@H]1C[C@@H](NS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CC[N@@H+]1C ZINC000769659340 1078495987 /nfs/dbraw/zinc/49/59/87/1078495987.db2.gz HTSGTQBCWQJTQP-PXNSSMCTSA-N 1 0 423.579 2.437 20 0 HEADRO COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@]13CCOc1ccccc13)C2 ZINC001109513384 1078533858 /nfs/dbraw/zinc/53/38/58/1078533858.db2.gz DTPPRGHIIJAXGR-KNCYDQBVSA-N 1 0 400.519 2.111 20 0 HEADRO COc1ccccc1COC1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000769713127 1078532294 /nfs/dbraw/zinc/53/22/94/1078532294.db2.gz VRWAKLRKCMUWAZ-QUCCMNQESA-N 1 0 403.523 2.249 20 0 HEADRO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000769820125 1078561146 /nfs/dbraw/zinc/56/11/46/1078561146.db2.gz XWGHJYPHCBRNSG-YQVWRLOYSA-N 1 0 401.511 2.305 20 0 HEADRO NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(CF)cc2)O1 ZINC001109541660 1078584919 /nfs/dbraw/zinc/58/49/19/1078584919.db2.gz FRZOGLMHRMDDPF-SLHNCBLASA-N 1 0 403.498 2.191 20 0 HEADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000769830574 1078592438 /nfs/dbraw/zinc/59/24/38/1078592438.db2.gz RLSQDHAHPABFFI-IEBWSBKVSA-N 1 0 414.531 2.088 20 0 HEADRO CCCn1c(=O)cc(Nc2ccccc2C(=O)NC2CC[NH2+]CC2)n(CCC)c1=O ZINC001170011136 1078597162 /nfs/dbraw/zinc/59/71/62/1078597162.db2.gz AGVKPJSAIPKLOW-UHFFFAOYSA-N 1 0 413.522 2.055 20 0 HEADRO C[C@@H](NS(=O)(=O)c1cn(C)c(Cl)n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000769900779 1078624626 /nfs/dbraw/zinc/62/46/26/1078624626.db2.gz IKBGSYOPVMOQMU-GFCCVEGCSA-N 1 0 415.922 2.004 20 0 HEADRO CCC[C@@]1(CO)CCC[N@@H+]1CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C ZINC000769914105 1078632479 /nfs/dbraw/zinc/63/24/79/1078632479.db2.gz VFOFWUKQBWFDET-UGKGYDQZSA-N 1 0 401.507 2.437 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000769920049 1078635361 /nfs/dbraw/zinc/63/53/61/1078635361.db2.gz LOIWFUFFIJONGD-WBVHZDCISA-N 1 0 403.589 2.331 20 0 HEADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCC1CCOCC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001109544675 1078642339 /nfs/dbraw/zinc/64/23/39/1078642339.db2.gz HNTZMJQXUOCRAJ-GFJXEVPCSA-N 1 0 406.567 2.356 20 0 HEADRO C[C@@H](NC(=O)NC[C@@](C)(O)c1ccco1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000745794488 1078650077 /nfs/dbraw/zinc/65/00/77/1078650077.db2.gz BYHBJGJNIAPNMI-QVKFZJNVSA-N 1 0 404.486 2.438 20 0 HEADRO O=C(NCCc1ccn(-c2ccc(F)cc2)n1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000745825624 1078664844 /nfs/dbraw/zinc/66/48/44/1078664844.db2.gz QYNGQZSQWFXCEJ-NRFANRHFSA-N 1 0 415.513 2.497 20 0 HEADRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000769972169 1078668850 /nfs/dbraw/zinc/66/88/50/1078668850.db2.gz GCZRMVMOMMHLFZ-DLBZAZTESA-N 1 0 402.491 2.353 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCc2ccccn2)C[C@H]1C(=O)N1CCSC1 ZINC001170012111 1078668888 /nfs/dbraw/zinc/66/88/88/1078668888.db2.gz UFLYWLUHQUJCQN-SJORKVTESA-N 1 0 406.552 2.125 20 0 HEADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000769972176 1078669518 /nfs/dbraw/zinc/66/95/18/1078669518.db2.gz GCZRMVMOMMHLFZ-SJORKVTESA-N 1 0 402.491 2.353 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000769979123 1078672188 /nfs/dbraw/zinc/67/21/88/1078672188.db2.gz ZBHBJCOHNSJRFS-ICSRJNTNSA-N 1 0 415.538 2.016 20 0 HEADRO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000769987724 1078674861 /nfs/dbraw/zinc/67/48/61/1078674861.db2.gz HMLSUDMYJQIZKQ-AZUAARDMSA-N 1 0 415.538 2.016 20 0 HEADRO CN1CCC(CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)([NH+]2CCCCC2)CC1 ZINC000745879467 1078682407 /nfs/dbraw/zinc/68/24/07/1078682407.db2.gz SFSMERYSTMNINS-SFHVURJKSA-N 1 0 423.602 2.245 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000745861607 1078676391 /nfs/dbraw/zinc/67/63/91/1078676391.db2.gz CTZPPTLPPCHLNY-CRAIPNDOSA-N 1 0 416.488 2.312 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCCN(c3ccc(C)cc3)CC2)CC1 ZINC000745863213 1078678228 /nfs/dbraw/zinc/67/82/28/1078678228.db2.gz SVIQGQSCJSIBMT-NRFANRHFSA-N 1 0 401.599 2.490 20 0 HEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)CC1 ZINC000745888312 1078678981 /nfs/dbraw/zinc/67/89/81/1078678981.db2.gz VIRPHISPKSXPQT-FQEVSTJZSA-N 1 0 415.582 2.159 20 0 HEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)[C@H](C)C1 ZINC000770021923 1078691782 /nfs/dbraw/zinc/69/17/82/1078691782.db2.gz YYPXXROKTBBZQC-FUMNGEBKSA-N 1 0 421.586 2.012 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC000745937569 1078702843 /nfs/dbraw/zinc/70/28/43/1078702843.db2.gz LQLBFPNZDTVVAZ-NEPJUHHUSA-N 1 0 417.325 2.093 20 0 HEADRO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000770046449 1078703491 /nfs/dbraw/zinc/70/34/91/1078703491.db2.gz GSFVYAQIPSNVGR-DNVCBOLYSA-N 1 0 405.520 2.485 20 0 HEADRO CCN(CC1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1)C(=O)OC(C)(C)C ZINC000745946045 1078705131 /nfs/dbraw/zinc/70/51/31/1078705131.db2.gz RCSXOFKXKRJTJW-SJLPKXTDSA-N 1 0 424.586 2.068 20 0 HEADRO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745945202 1078709672 /nfs/dbraw/zinc/70/96/72/1078709672.db2.gz SSJGDLOGQNFFQO-IRXDYDNUSA-N 1 0 408.495 2.154 20 0 HEADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000745998284 1078725822 /nfs/dbraw/zinc/72/58/22/1078725822.db2.gz NZXHHGDPDCNIDD-XYJFISCASA-N 1 0 408.518 2.360 20 0 HEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000746036214 1078738029 /nfs/dbraw/zinc/73/80/29/1078738029.db2.gz MFIJSFLSMGDIQK-CABCVRRESA-N 1 0 417.901 2.178 20 0 HEADRO CON(C)C(=O)c1ccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000746029644 1078743278 /nfs/dbraw/zinc/74/32/78/1078743278.db2.gz UAJJRYQPFOBBDJ-UHFFFAOYSA-N 1 0 404.511 2.429 20 0 HEADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)C[C@H](C)O1 ZINC000770143820 1078745804 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BIYRFONXHSZMLO-PMACEKPBSA-N 1 0 400.567 2.189 20 0 HEADRO Cc1ccc(N2C[C@H](C(=O)N[C@@H](C)CC[NH+]3CCN(C)CC3)CCC2=O)cc1C ZINC000770171498 1078767182 /nfs/dbraw/zinc/76/71/82/1078767182.db2.gz BIYRFONXHSZMLO-VQTJNVASSA-N 1 0 400.567 2.189 20 0 HEADRO Cc1ncccc1C[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013397 1078767348 /nfs/dbraw/zinc/76/73/48/1078767348.db2.gz GKGKJXOLNMAZOA-IRXDYDNUSA-N 1 0 406.552 2.391 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000770172103 1078767866 /nfs/dbraw/zinc/76/78/66/1078767866.db2.gz FXMWMIYRFDZPMT-UYAOXDASSA-N 1 0 418.582 2.437 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C\c1ccc(I)o1 ZINC000770173658 1078769030 /nfs/dbraw/zinc/76/90/30/1078769030.db2.gz IDCYWJYPXSYUCX-AGLBCWCQSA-N 1 0 417.291 2.040 20 0 HEADRO CC(C)[NH+]1CCC(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000746097084 1078778270 /nfs/dbraw/zinc/77/82/70/1078778270.db2.gz MCACBZXJOGTTSQ-UHFFFAOYSA-N 1 0 402.539 2.041 20 0 HEADRO Cc1cccc(N2CC[NH+](CCC(=O)NCc3cccnc3-n3ccnc3)CC2)c1 ZINC000746117215 1078795086 /nfs/dbraw/zinc/79/50/86/1078795086.db2.gz WCMLTVNJFDZWHF-UHFFFAOYSA-N 1 0 404.518 2.404 20 0 HEADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000746133644 1078801775 /nfs/dbraw/zinc/80/17/75/1078801775.db2.gz HLVLJEWBXBRHGL-NRFANRHFSA-N 1 0 407.514 2.138 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000770288536 1078809269 /nfs/dbraw/zinc/80/92/69/1078809269.db2.gz AZTZCAJKYZKZPA-GHTZIAJQSA-N 1 0 416.566 2.215 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[C@@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000770288545 1078809322 /nfs/dbraw/zinc/80/93/22/1078809322.db2.gz AZTZCAJKYZKZPA-RXVVDRJESA-N 1 0 416.566 2.215 20 0 HEADRO CCC[N@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O ZINC000746171559 1078809723 /nfs/dbraw/zinc/80/97/23/1078809723.db2.gz BXWGZZMGEIMDKU-SFQUDFHCSA-N 1 0 421.519 2.198 20 0 HEADRO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000770249162 1078811451 /nfs/dbraw/zinc/81/14/51/1078811451.db2.gz RQSCLCRJVYJFOJ-VIFPVBQESA-N 1 0 423.304 2.136 20 0 HEADRO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000770249159 1078811466 /nfs/dbraw/zinc/81/14/66/1078811466.db2.gz RQSCLCRJVYJFOJ-SECBINFHSA-N 1 0 423.304 2.136 20 0 HEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000746168066 1078814505 /nfs/dbraw/zinc/81/45/05/1078814505.db2.gz RRJULPUODLXHOU-IEBWSBKVSA-N 1 0 404.555 2.395 20 0 HEADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)CC1=O ZINC000746164907 1078813293 /nfs/dbraw/zinc/81/32/93/1078813293.db2.gz KFYXTTIGDXUPSR-AEFFLSMTSA-N 1 0 422.367 2.393 20 0 HEADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)CC1=O ZINC000746164915 1078813324 /nfs/dbraw/zinc/81/33/24/1078813324.db2.gz KFYXTTIGDXUPSR-SJLPKXTDSA-N 1 0 422.367 2.393 20 0 HEADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)C2=O)cc1 ZINC000746196517 1078815807 /nfs/dbraw/zinc/81/58/07/1078815807.db2.gz JVZVPHVFKXSTMF-WZONZLPQSA-N 1 0 414.550 2.246 20 0 HEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000770293106 1078818799 /nfs/dbraw/zinc/81/87/99/1078818799.db2.gz ORJLUXSYYJZSCH-LPYTZGJOSA-N 1 0 416.385 2.365 20 0 HEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000770294329 1078819695 /nfs/dbraw/zinc/81/96/95/1078819695.db2.gz XAJMBPUQISSBCY-CKNOQMABSA-N 1 0 416.385 2.365 20 0 HEADRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000746190784 1078820150 /nfs/dbraw/zinc/82/01/50/1078820150.db2.gz KTMLJVPGTLBOBQ-OALUTQOASA-N 1 0 408.587 2.262 20 0 HEADRO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000746225929 1078826523 /nfs/dbraw/zinc/82/65/23/1078826523.db2.gz NPBVDKZJULKVLW-UXHICEINSA-N 1 0 419.566 2.461 20 0 HEADRO O=Cc1ccc(OC(F)(F)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000746220072 1078825231 /nfs/dbraw/zinc/82/52/31/1078825231.db2.gz RJZJZLYOGFECBD-GOSISDBHSA-N 1 0 404.413 2.006 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000770361942 1078830439 /nfs/dbraw/zinc/83/04/39/1078830439.db2.gz LVSXLNBRBIAOOV-IAGOWNOFSA-N 1 0 403.527 2.029 20 0 HEADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000746256249 1078834103 /nfs/dbraw/zinc/83/41/03/1078834103.db2.gz MBKQQTILFCGBTP-NVXWUHKLSA-N 1 0 413.559 2.316 20 0 HEADRO Cn1nccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770381268 1078835054 /nfs/dbraw/zinc/83/50/54/1078835054.db2.gz KCVSEQIGXYHALV-AEFFLSMTSA-N 1 0 405.543 2.148 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000770352888 1078839096 /nfs/dbraw/zinc/83/90/96/1078839096.db2.gz PYQQRWPTFMJWOW-ZMSDIMECSA-N 1 0 400.976 2.121 20 0 HEADRO COCCOc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H](O)c3nccn3C)C1)OCO2 ZINC000770340098 1078836335 /nfs/dbraw/zinc/83/63/35/1078836335.db2.gz ZCYNKZXZVJECCI-MGPUTAFESA-N 1 0 403.479 2.120 20 0 HEADRO COCCOc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H](O)c3nccn3C)C1)OCO2 ZINC000770340100 1078836406 /nfs/dbraw/zinc/83/64/06/1078836406.db2.gz ZCYNKZXZVJECCI-YWZLYKJASA-N 1 0 403.479 2.120 20 0 HEADRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc(Cl)c1OCC(N)=O ZINC000770389498 1078840617 /nfs/dbraw/zinc/84/06/17/1078840617.db2.gz YRPNANPJCQSFNK-WBVHZDCISA-N 1 0 422.913 2.034 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)C[C@H]1C(=O)N1CCSC1 ZINC001170014359 1078841209 /nfs/dbraw/zinc/84/12/09/1078841209.db2.gz OSFMIQSNPFEHLL-IRXDYDNUSA-N 1 0 413.584 2.304 20 0 HEADRO COCC[S@@](=O)Cc1cccc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000746275603 1078841420 /nfs/dbraw/zinc/84/14/20/1078841420.db2.gz JQZGIFUWUHIDKX-PZGXJGMVSA-N 1 0 416.543 2.157 20 0 HEADRO COC(=O)N1CC(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000770394379 1078841564 /nfs/dbraw/zinc/84/15/64/1078841564.db2.gz BJTNKAFQLPABNM-AWEZNQCLSA-N 1 0 400.401 2.030 20 0 HEADRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)cn1 ZINC001170014396 1078842696 /nfs/dbraw/zinc/84/26/96/1078842696.db2.gz PLYOBKREFWACCW-SJORKVTESA-N 1 0 406.552 2.391 20 0 HEADRO CC(C)(C)OC(=O)NC1(C(=O)NCCC[NH+]2CCC(O)CC2)Cc2ccccc2C1 ZINC000746280212 1078843477 /nfs/dbraw/zinc/84/34/77/1078843477.db2.gz MLYRGBKNMZWULA-UHFFFAOYSA-N 1 0 417.550 2.012 20 0 HEADRO C[C@@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000746292160 1078843892 /nfs/dbraw/zinc/84/38/92/1078843892.db2.gz CTRABUFWSHWJHR-BOCKYXSRSA-N 1 0 417.550 2.385 20 0 HEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)NC1CCC(O)(c2cccnc2)CC1 ZINC000770412326 1078844855 /nfs/dbraw/zinc/84/48/55/1078844855.db2.gz QPYLFMYBHBVCTL-UHFFFAOYSA-N 1 0 402.539 2.156 20 0 HEADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)nc2)C1 ZINC000746295218 1078845203 /nfs/dbraw/zinc/84/52/03/1078845203.db2.gz ZCOCWZPQJHALKA-QGZVFWFLSA-N 1 0 403.527 2.417 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000746304101 1078848142 /nfs/dbraw/zinc/84/81/42/1078848142.db2.gz HRVRXJCGXFRZCG-VWLOTQADSA-N 1 0 422.573 2.475 20 0 HEADRO CN(C[C@@H]1CCCCO1)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746505256 1078848583 /nfs/dbraw/zinc/84/85/83/1078848583.db2.gz GAGQMMMQGGUYKQ-SIKLNZKXSA-N 1 0 400.523 2.031 20 0 HEADRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)C1CCCCC1 ZINC000041417354 1078855647 /nfs/dbraw/zinc/85/56/47/1078855647.db2.gz YMARCIBIIPCVMT-MRXNPFEDSA-N 1 0 401.429 2.429 20 0 HEADRO C[C@H](CNC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000746321581 1078858056 /nfs/dbraw/zinc/85/80/56/1078858056.db2.gz KSNJHYJUAOBNGC-QMMLZNLJSA-N 1 0 406.546 2.307 20 0 HEADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000045570637 1078863165 /nfs/dbraw/zinc/86/31/65/1078863165.db2.gz GNCBIHBVLRNWOA-HXUWFJFHSA-N 1 0 406.486 2.305 20 0 HEADRO 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O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000746407241 1078903346 /nfs/dbraw/zinc/90/33/46/1078903346.db2.gz PPNRDRMIUXCRHO-NEPJUHHUSA-N 1 0 416.703 2.020 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2C[C@@H]3COC[C@]3(C(=O)NCCc3cccs3)C2)CC1 ZINC001168782027 1078904802 /nfs/dbraw/zinc/90/48/02/1078904802.db2.gz JSPLCXFOUWVHDL-OYQAGNLASA-N 1 0 420.575 2.477 20 0 HEADRO CC(C)[C@@H](CNC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[NH+]1CCN(C)CC1 ZINC000770564569 1078905258 /nfs/dbraw/zinc/90/52/58/1078905258.db2.gz JZWHREPZNRGBNR-NHCUHLMSSA-N 1 0 416.566 2.033 20 0 HEADRO CN(C)c1nc2cc(NC(=O)C(=O)N(CCc3ccccc3)CC[NH+](C)C)ccc2o1 ZINC000766355560 1078910937 /nfs/dbraw/zinc/91/09/37/1078910937.db2.gz UKZQFPACYIMTBG-UHFFFAOYSA-N 1 0 423.517 2.465 20 0 HEADRO CCCCCCNC(=O)[C@H]1CCCN(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000770607237 1078914179 /nfs/dbraw/zinc/91/41/79/1078914179.db2.gz PDRKDVBRNFJNNO-UXHICEINSA-N 1 0 409.619 2.131 20 0 HEADRO COC(=O)C1(C)CCC([NH+]2CCC3(CC2)[C@@H](c2cnn(C)c2)CC(=O)N3C)CC1 ZINC001168782331 1078914738 /nfs/dbraw/zinc/91/47/38/1078914738.db2.gz LYJQSLSYWKNECG-IDYZSHNDSA-N 1 0 402.539 2.322 20 0 HEADRO C[S@@](=O)c1cccc(C(=O)OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000770609594 1078915541 /nfs/dbraw/zinc/91/55/41/1078915541.db2.gz MXGGJSFTESUFIY-GDLZYMKVSA-N 1 0 414.527 2.493 20 0 HEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000766378831 1078927368 /nfs/dbraw/zinc/92/73/68/1078927368.db2.gz ILPDHJAQBJDNNS-WOJBJXKFSA-N 1 0 403.523 2.262 20 0 HEADRO CCC[C@H]1CN(Cn2nc(C(=O)OC)c(Br)c2C)CC[N@@H+]1CCOC ZINC000766379533 1078928925 /nfs/dbraw/zinc/92/89/25/1078928925.db2.gz MQHRLWCIJNZCEW-AWEZNQCLSA-N 1 0 417.348 2.131 20 0 HEADRO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCCOC1 ZINC000770676012 1078929481 /nfs/dbraw/zinc/92/94/81/1078929481.db2.gz GZLNRDNVOXAMBW-KRWDZBQOSA-N 1 0 400.269 2.422 20 0 HEADRO COCC[N@H+](C)CCCC1CCN(Cn2cc(C)n(-c3cc(C)on3)c2=O)CC1 ZINC000766383195 1078931636 /nfs/dbraw/zinc/93/16/36/1078931636.db2.gz XCZOMAOQNCGROD-UHFFFAOYSA-N 1 0 405.543 2.272 20 0 HEADRO COC(=O)c1cccc(N2CC(=O)N(CN3CCC(CCC[NH+](C)C)CC3)C2=O)c1 ZINC000766382379 1078932283 /nfs/dbraw/zinc/93/22/83/1078932283.db2.gz QOOZYSDNMOORIX-UHFFFAOYSA-N 1 0 416.522 2.253 20 0 HEADRO CC[N@H+](CCC1CCN(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CC1)CC1CC1 ZINC000770684212 1078933128 /nfs/dbraw/zinc/93/31/28/1078933128.db2.gz FBIZEFPBDSGIDC-OAQYLSRUSA-N 1 0 415.582 2.129 20 0 HEADRO CCC[C@H]1CN(Cn2ncn(-c3ccc(OC)nc3)c2=S)CC[N@@H+]1CCOC ZINC000766383392 1078933745 /nfs/dbraw/zinc/93/37/45/1078933745.db2.gz YNMXPNQIURDUIX-KRWDZBQOSA-N 1 0 406.556 2.197 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)CC1 ZINC000770654265 1078940213 /nfs/dbraw/zinc/94/02/13/1078940213.db2.gz GGXNQPATJGOISU-LPHOPBHVSA-N 1 0 405.564 2.098 20 0 HEADRO CNC(=O)c1nn(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c(=O)c2ccccc21 ZINC000766373252 1078941130 /nfs/dbraw/zinc/94/11/30/1078941130.db2.gz FPJPODADPQJHHP-MSOLQXFVSA-N 1 0 419.529 2.308 20 0 HEADRO Cc1nn(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c(=S)n1CC(=O)N(C)C ZINC000766374816 1078941776 /nfs/dbraw/zinc/94/17/76/1078941776.db2.gz JIIWLFASQIMBLU-IAGOWNOFSA-N 1 0 416.595 2.363 20 0 HEADRO CCC[C@H]1CN(Cn2ncn(CCc3ccccn3)c2=S)CC[N@@H+]1CCOC ZINC000766377440 1078945321 /nfs/dbraw/zinc/94/53/21/1078945321.db2.gz CSFZBJCTIXIYTM-IBGZPJMESA-N 1 0 404.584 2.442 20 0 HEADRO CCC[C@@H]1CN(Cn2ncn(CCc3ccccn3)c2=S)CC[N@@H+]1CCOC ZINC000766377441 1078945519 /nfs/dbraw/zinc/94/55/19/1078945519.db2.gz CSFZBJCTIXIYTM-LJQANCHMSA-N 1 0 404.584 2.442 20 0 HEADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C1CCOCC1 ZINC000766390516 1078947348 /nfs/dbraw/zinc/94/73/48/1078947348.db2.gz XEVCFULUJNEFAZ-KBXCAEBGSA-N 1 0 418.581 2.268 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H]3c3cc(C)on3)c2)CC1 ZINC000770726476 1078951668 /nfs/dbraw/zinc/95/16/68/1078951668.db2.gz YOTPKSVMMMHDMY-HXUWFJFHSA-N 1 0 411.506 2.427 20 0 HEADRO CC(C)(C)n1ncc2c1ncnc2N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000766397317 1078951723 /nfs/dbraw/zinc/95/17/23/1078951723.db2.gz AYWBOJIVCBQUNF-UHFFFAOYSA-N 1 0 413.570 2.400 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CCCOC1 ZINC000770691540 1078961021 /nfs/dbraw/zinc/96/10/21/1078961021.db2.gz JPDSIIDNEWWQMQ-OAQYLSRUSA-N 1 0 400.479 2.130 20 0 HEADRO Cn1ncc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1C1CC1 ZINC000770730232 1078955582 /nfs/dbraw/zinc/95/55/82/1078955582.db2.gz FZZQGMDNQBCNBK-UHFFFAOYSA-N 1 0 405.449 2.105 20 0 HEADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CCCO1 ZINC000770731466 1078956516 /nfs/dbraw/zinc/95/65/16/1078956516.db2.gz DYQUUPKYVPUSLO-QUCCMNQESA-N 1 0 403.523 2.262 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)CCCOC1 ZINC000770700883 1078969071 /nfs/dbraw/zinc/96/90/71/1078969071.db2.gz QSSFGDLGSJNJCK-JTSKRJEESA-N 1 0 420.506 2.069 20 0 HEADRO COC(=O)C[C@]1([NH2+]CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)CCCOC1 ZINC000770702850 1078971172 /nfs/dbraw/zinc/97/11/72/1078971172.db2.gz ALJVCYJJXGHHSP-PGRDOPGGSA-N 1 0 420.506 2.069 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000746451075 1078974475 /nfs/dbraw/zinc/97/44/75/1078974475.db2.gz VQJWYSBUXJFTKX-KRWDZBQOSA-N 1 0 401.573 2.133 20 0 HEADRO O=C(Nc1ccccc1N1CCOC1=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000746454858 1078985341 /nfs/dbraw/zinc/98/53/41/1078985341.db2.gz UPDGAZKZCQPHAV-CRAIPNDOSA-N 1 0 412.490 2.057 20 0 HEADRO O=C(Nc1ccccc1N1CCOC1=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000746454862 1078985484 /nfs/dbraw/zinc/98/54/84/1078985484.db2.gz UPDGAZKZCQPHAV-YJBOKZPZSA-N 1 0 412.490 2.057 20 0 HEADRO COC(=O)C1(C)CCC([NH+]2CCC3(CC2)COCCN3Cc2ccn(C)n2)CC1 ZINC001168790547 1078987556 /nfs/dbraw/zinc/98/75/56/1078987556.db2.gz NBSHJEZDLOZZJF-UHFFFAOYSA-N 1 0 404.555 2.209 20 0 HEADRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)nn1 ZINC000746448638 1078990294 /nfs/dbraw/zinc/99/02/94/1078990294.db2.gz CGCGLVWQSMOKNV-QGZVFWFLSA-N 1 0 407.312 2.463 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCSCC2)C[C@H]1C(=O)N1CCSC1 ZINC001170017155 1078993266 /nfs/dbraw/zinc/99/32/66/1078993266.db2.gz ANOFBAWMUSEKNW-GJZGRUSLSA-N 1 0 401.598 2.383 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)[N@H+](C)Cc1ccccc1 ZINC000766435896 1079003531 /nfs/dbraw/zinc/00/35/31/1079003531.db2.gz BVPXYROLYBTNHN-CYBMUJFWSA-N 1 0 405.296 2.419 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](O)c3ccccc3)c2)CC1 ZINC000770749246 1079004409 /nfs/dbraw/zinc/00/44/09/1079004409.db2.gz LXLBECNRIGQXFJ-PGRDOPGGSA-N 1 0 424.545 2.395 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H](CCO)c3cccs3)c2)CC1 ZINC000770752159 1079006132 /nfs/dbraw/zinc/00/61/32/1079006132.db2.gz RAQISDWDNRJSDV-GOSISDBHSA-N 1 0 416.547 2.068 20 0 HEADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2ccc(Br)nc2)ccc1F ZINC000766457051 1079009654 /nfs/dbraw/zinc/00/96/54/1079009654.db2.gz QIUZRGYUMONBNX-UHFFFAOYSA-N 1 0 409.259 2.300 20 0 HEADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)Nc3cnn(C)c3C3CC3)c2)CC1 ZINC000770779223 1079010726 /nfs/dbraw/zinc/01/07/26/1079010726.db2.gz WQOZYOAACKYGCR-UHFFFAOYSA-N 1 0 410.522 2.405 20 0 HEADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)Nc3cnn(C)c3C3CC3)cc2)CC1 ZINC000770782079 1079012893 /nfs/dbraw/zinc/01/28/93/1079012893.db2.gz MSHSJLVXYPIHFR-UHFFFAOYSA-N 1 0 410.522 2.012 20 0 HEADRO CN(CCC[NH+]1CCN(C)CC1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000746462125 1079013982 /nfs/dbraw/zinc/01/39/82/1079013982.db2.gz KCVRKOAGWTWKSE-UHFFFAOYSA-N 1 0 423.561 2.447 20 0 HEADRO COCOc1ccc(OC)cc1C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000766450915 1079016594 /nfs/dbraw/zinc/01/65/94/1079016594.db2.gz DGJAEKXMPDAKTF-UHFFFAOYSA-N 1 0 405.495 2.412 20 0 HEADRO CN(CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)Cc1nc[nH]n1 ZINC000746477939 1079032374 /nfs/dbraw/zinc/03/23/74/1079032374.db2.gz JDVOWQQASVZDPJ-UHFFFAOYSA-N 1 0 419.533 2.197 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000770802895 1079025206 /nfs/dbraw/zinc/02/52/06/1079025206.db2.gz RQOSZNOTAVVECK-MRXNPFEDSA-N 1 0 421.973 2.021 20 0 HEADRO CCOC(=O)C1=C(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)NC(=O)N[C@H]1c1ccco1 ZINC000746473012 1079026896 /nfs/dbraw/zinc/02/68/96/1079026896.db2.gz SHIHBKXOFOUMHH-OGWOLHLISA-N 1 0 404.511 2.113 20 0 HEADRO C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000746474041 1079028223 /nfs/dbraw/zinc/02/82/23/1079028223.db2.gz ZZUJVKFQHRZUQC-PMACEKPBSA-N 1 0 423.579 2.139 20 0 HEADRO CCC(=O)N1CCC([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000766489998 1079029094 /nfs/dbraw/zinc/02/90/94/1079029094.db2.gz SADPGXWEDLSVMP-UHFFFAOYSA-N 1 0 408.442 2.350 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000746476163 1079030076 /nfs/dbraw/zinc/03/00/76/1079030076.db2.gz RSKJSJYDWVYJDD-IAGOWNOFSA-N 1 0 401.573 2.133 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccncc2F)C[C@H]1C(=O)N1CCSC1 ZINC001170018162 1079030375 /nfs/dbraw/zinc/03/03/75/1079030375.db2.gz FYODLYDHXGEGKH-HOCLYGCPSA-N 1 0 410.515 2.221 20 0 HEADRO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000746481226 1079035692 /nfs/dbraw/zinc/03/56/92/1079035692.db2.gz FSOUKONBTPSUSM-INIZCTEOSA-N 1 0 410.509 2.091 20 0 HEADRO O=C(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000770853075 1079039317 /nfs/dbraw/zinc/03/93/17/1079039317.db2.gz LTLBZHVRSCTSEX-DHIUTWEWSA-N 1 0 412.530 2.105 20 0 HEADRO C[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC001168800326 1079040649 /nfs/dbraw/zinc/04/06/49/1079040649.db2.gz BTFJEQMYQDVLMO-LBPRGKRZSA-N 1 0 400.401 2.242 20 0 HEADRO C[C@@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC001168800325 1079040690 /nfs/dbraw/zinc/04/06/90/1079040690.db2.gz BTFJEQMYQDVLMO-GFCCVEGCSA-N 1 0 400.401 2.242 20 0 HEADRO O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000770857226 1079041036 /nfs/dbraw/zinc/04/10/36/1079041036.db2.gz SYYAMTXUFVFDML-HZPDHXFCSA-N 1 0 422.476 2.013 20 0 HEADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](CO)C[C@H](O)c3ccccc3)CC2)c1 ZINC000770859582 1079042435 /nfs/dbraw/zinc/04/24/35/1079042435.db2.gz VJGLBBJDKNYTGY-GGAORHGYSA-N 1 0 411.546 2.108 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000770841677 1079055969 /nfs/dbraw/zinc/05/59/69/1079055969.db2.gz KNFLILCYYBGLJJ-UHFFFAOYSA-N 1 0 417.531 2.401 20 0 HEADRO 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 ZINC001168843929 1079051310 /nfs/dbraw/zinc/05/13/10/1079051310.db2.gz AUMRZHMPZMAIGK-RHQZKXFESA-N 1 0 423.554 2.418 20 0 HEADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000429488844 1079053088 /nfs/dbraw/zinc/05/30/88/1079053088.db2.gz HECCFPMLVAHPOV-QZTJIDSGSA-N 1 0 415.456 2.241 20 0 HEADRO 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 ZINC001168855079 1079053600 /nfs/dbraw/zinc/05/36/00/1079053600.db2.gz IRPLTXGHPZWCBK-VPAKFMSCSA-N 1 0 423.554 2.275 20 0 HEADRO C[C@@H]1C[C@H]([N@H+]2CCc3nnc(Cn4cccc4)n3CC2)CN1C(=O)OC(C)(C)C ZINC001168855186 1079053867 /nfs/dbraw/zinc/05/38/67/1079053867.db2.gz JHELNODREORBLX-SJORKVTESA-N 1 0 400.527 2.384 20 0 HEADRO 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 ZINC001168861844 1079056800 /nfs/dbraw/zinc/05/68/00/1079056800.db2.gz AMYCHELKSFRXBU-IMPIEMTGSA-N 1 0 420.510 2.034 20 0 HEADRO 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 ZINC001168866283 1079057615 /nfs/dbraw/zinc/05/76/15/1079057615.db2.gz NWYLOSKJDDLZQC-YSHGAJCASA-N 1 0 400.523 2.483 20 0 HEADRO COC(CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)(OC)c1ccccc1 ZINC001168844359 1079059866 /nfs/dbraw/zinc/05/98/66/1079059866.db2.gz YRDOKFCIIRMLGZ-UHFFFAOYSA-N 1 0 412.490 2.179 20 0 HEADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)cn1 ZINC001168881149 1079067941 /nfs/dbraw/zinc/06/79/41/1079067941.db2.gz ODDSOZHCWLHEGC-GOSISDBHSA-N 1 0 417.531 2.165 20 0 HEADRO CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)n([C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)n1 ZINC001168885866 1079068699 /nfs/dbraw/zinc/06/86/99/1079068699.db2.gz WVQUDWPGQIDYPI-RRFJBIMHSA-N 1 0 407.515 2.492 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]C3CCN(C(=O)NC(C)C)CC3)CC2=O)cc1 ZINC001168907789 1079072482 /nfs/dbraw/zinc/07/24/82/1079072482.db2.gz CHUKMCSAYWQEMJ-LJQANCHMSA-N 1 0 402.539 2.358 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc4c(c3)N(C)C(=O)CO4)CC2=O)cc1 ZINC001168914468 1079074733 /nfs/dbraw/zinc/07/47/33/1079074733.db2.gz CZUXRWHCMJOMFS-GOSISDBHSA-N 1 0 409.486 2.331 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000770913956 1079075893 /nfs/dbraw/zinc/07/58/93/1079075893.db2.gz PTLXGGVYBJAOQZ-SFHVURJKSA-N 1 0 403.504 2.153 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(CCc4ccccn4)CC3)CC2=O)cc1 ZINC001168939142 1079080561 /nfs/dbraw/zinc/08/05/61/1079080561.db2.gz FZPJLWFKKGHLSC-QFIPXVFZSA-N 1 0 408.546 2.442 20 0 HEADRO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+]([C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)C1 ZINC001168958023 1079091803 /nfs/dbraw/zinc/09/18/03/1079091803.db2.gz KYCHDYZWRNXHGG-TZIWHRDSSA-N 1 0 417.550 2.146 20 0 HEADRO Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3C[C@]4(C)C[NH+](C)C[C@@]4(C)C3)c2)cc1 ZINC001168929264 1079088116 /nfs/dbraw/zinc/08/81/16/1079088116.db2.gz HGDVVZFIUFSOEF-SFTDATJTSA-N 1 0 401.532 2.447 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CC[C@@H](Oc4nccc(OC)n4)C3)CC2=O)cc1 ZINC001168956814 1079091135 /nfs/dbraw/zinc/09/11/35/1079091135.db2.gz FQCUWIHJDZUJHO-IEBWSBKVSA-N 1 0 412.490 2.138 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC000766558328 1079091165 /nfs/dbraw/zinc/09/11/65/1079091165.db2.gz DVZKTGPHFIKDSV-GUDVDZBRSA-N 1 0 418.538 2.430 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@@H](NC(=O)c4cccnc4)C3)CC2=O)cc1 ZINC001168957349 1079091250 /nfs/dbraw/zinc/09/12/50/1079091250.db2.gz YXHJLFRIQLKJQC-NHCUHLMSSA-N 1 0 422.529 2.476 20 0 HEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC000766558334 1079091333 /nfs/dbraw/zinc/09/13/33/1079091333.db2.gz DVZKTGPHFIKDSV-QYZOEREBSA-N 1 0 418.538 2.430 20 0 HEADRO COC(=O)c1cn([C@@H]2CCC[N@H+](CCCN(C(=O)OC(C)(C)C)C3CC3)C2)nn1 ZINC001168957673 1079091661 /nfs/dbraw/zinc/09/16/61/1079091661.db2.gz GJXXDFPCJOVTFS-MRXNPFEDSA-N 1 0 407.515 2.491 20 0 HEADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3sc(NC4CC4)nc3C)cn2)CC1 ZINC000770994071 1079097988 /nfs/dbraw/zinc/09/79/88/1079097988.db2.gz RWTMXGQBNQBLBY-UHFFFAOYSA-N 1 0 400.552 2.493 20 0 HEADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000770997308 1079099041 /nfs/dbraw/zinc/09/90/41/1079099041.db2.gz GUSCZNRTEVALCJ-ZIAGYGMSSA-N 1 0 421.485 2.363 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccnc2F)C[C@H]1C(=O)N1CCSC1 ZINC001170020553 1079106507 /nfs/dbraw/zinc/10/65/07/1079106507.db2.gz QAQISGAUABHEFY-CABCVRRESA-N 1 0 410.515 2.221 20 0 HEADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001626110930 1079115589 /nfs/dbraw/zinc/11/55/89/1079115589.db2.gz GSTOBDGCFPPZCP-AZUAARDMSA-N 1 0 415.559 2.382 20 0 HEADRO CC(C)C[C@H](Cc1ccccc1)n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001169070948 1079123813 /nfs/dbraw/zinc/12/38/13/1079123813.db2.gz VTYDBDLUCUPFOE-GIVPXCGWSA-N 1 0 411.550 2.059 20 0 HEADRO CC(C)[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000746272069 1079124364 /nfs/dbraw/zinc/12/43/64/1079124364.db2.gz JEYIATQCOXNIHL-PGRDOPGGSA-N 1 0 405.539 2.289 20 0 HEADRO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000766580943 1079124887 /nfs/dbraw/zinc/12/48/87/1079124887.db2.gz CSJRWCXYOIOIIX-MAUKXSAKSA-N 1 0 402.495 2.161 20 0 HEADRO CSc1ccc([C@H](O)[C@H](CO)Nc2cccc3c2NC(=O)C32CC[NH2+]CC2)cc1 ZINC001169090335 1079138762 /nfs/dbraw/zinc/13/87/62/1079138762.db2.gz ZMVHNYMUJMGZNO-ICSRJNTNSA-N 1 0 413.543 2.488 20 0 HEADRO CS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000766596787 1079143410 /nfs/dbraw/zinc/14/34/10/1079143410.db2.gz QFOGVKQOQGBABF-NRFANRHFSA-N 1 0 404.532 2.313 20 0 HEADRO CN(Cc1ccccn1)C(=O)C1=NO[C@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169129884 1079150311 /nfs/dbraw/zinc/15/03/11/1079150311.db2.gz LHGANGVGFINBLD-SRYPRDQNSA-N 1 0 411.550 2.276 20 0 HEADRO C[NH+](C)C1(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CCCC1 ZINC000771103893 1079153470 /nfs/dbraw/zinc/15/34/70/1079153470.db2.gz OIBKMSYITIFRCX-LJQANCHMSA-N 1 0 424.904 2.237 20 0 HEADRO Cc1ccc(F)cc1C[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169161874 1079170981 /nfs/dbraw/zinc/17/09/81/1079170981.db2.gz HTLXDANPVXBOPW-HNNXBMFYSA-N 1 0 401.486 2.230 20 0 HEADRO Cc1ccc(F)c(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1F ZINC001169162187 1079170998 /nfs/dbraw/zinc/17/09/98/1079170998.db2.gz JUPCYPOGGPPLPN-CQSZACIVSA-N 1 0 419.476 2.369 20 0 HEADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001626110933 1079172948 /nfs/dbraw/zinc/17/29/48/1079172948.db2.gz GSTOBDGCFPPZCP-UYAOXDASSA-N 1 0 415.559 2.382 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cc(CC[NH3+])c2ccccc21 ZINC001169164931 1079172972 /nfs/dbraw/zinc/17/29/72/1079172972.db2.gz XHZIJWGZZUWMDP-INIZCTEOSA-N 1 0 422.533 2.321 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001169191707 1079179693 /nfs/dbraw/zinc/17/96/93/1079179693.db2.gz NWPMFCXRHFEROO-ZWKOTPCHSA-N 1 0 423.561 2.387 20 0 HEADRO CON(C)C(=O)c1ccc(NC(=O)C(C)(C)C)c(-n2ncc3c2cccc3C[NH3+])n1 ZINC001169191563 1079179736 /nfs/dbraw/zinc/17/97/36/1079179736.db2.gz JBYKJUWGIAIHJG-UHFFFAOYSA-N 1 0 410.478 2.497 20 0 HEADRO O=C(Nc1cccc(N2CCOC2=O)c1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766608348 1079175850 /nfs/dbraw/zinc/17/58/50/1079175850.db2.gz NOZIHOANGCSDGG-UHFFFAOYSA-N 1 0 400.479 2.059 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766607960 1079175880 /nfs/dbraw/zinc/17/58/80/1079175880.db2.gz QYSKUMBTGXJHFI-UHFFFAOYSA-N 1 0 414.506 2.367 20 0 HEADRO Cc1ccc([C@H]([NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C2CC2)nc1 ZINC001169188917 1079177680 /nfs/dbraw/zinc/17/76/80/1079177680.db2.gz BKZQFZAWLAZBID-VQIMIIECSA-N 1 0 424.549 2.437 20 0 HEADRO Cc1cccnc1C1(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169189112 1079177791 /nfs/dbraw/zinc/17/77/91/1079177791.db2.gz CIDWJJCKQLMOQB-KRWDZBQOSA-N 1 0 424.549 2.017 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC2(CC(F)C2)CC1 ZINC001169193862 1079180896 /nfs/dbraw/zinc/18/08/96/1079180896.db2.gz WLLUMRIURSHZLW-OAHLLOKOSA-N 1 0 405.518 2.207 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000771165953 1079181300 /nfs/dbraw/zinc/18/13/00/1079181300.db2.gz OOEPLIIWOACQOP-QWVSSGJLSA-N 1 0 406.474 2.462 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCCc2cnccc21 ZINC001169194241 1079181451 /nfs/dbraw/zinc/18/14/51/1079181451.db2.gz XHWQOTHJAUIWKJ-CRAIPNDOSA-N 1 0 410.522 2.055 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001169200874 1079183392 /nfs/dbraw/zinc/18/33/92/1079183392.db2.gz DQNVSMBSGXYDNI-FUHWJXTLSA-N 1 0 410.522 2.225 20 0 HEADRO COc1ccc(OC)c(-n2nnn(CN3CC[C@H](C[N@H+](C)CC4CC4)C3)c2=S)c1 ZINC000746384258 1079184923 /nfs/dbraw/zinc/18/49/23/1079184923.db2.gz XTZCCCCEEYZFGK-MRXNPFEDSA-N 1 0 418.567 2.437 20 0 HEADRO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000771132641 1079185035 /nfs/dbraw/zinc/18/50/35/1079185035.db2.gz HADOYKOQZXZODF-UHFFFAOYSA-N 1 0 401.485 2.060 20 0 HEADRO CCCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000804309318 1079189258 /nfs/dbraw/zinc/18/92/58/1079189258.db2.gz AKQHNFNGFZAQCL-DLBZAZTESA-N 1 0 412.575 2.081 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1(c2ccccc2)CC1 ZINC001169181726 1079193887 /nfs/dbraw/zinc/19/38/87/1079193887.db2.gz SQUZRYKASVSCJP-KRWDZBQOSA-N 1 0 409.534 2.314 20 0 HEADRO CC(C)CC1([NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCOCC1 ZINC001169183528 1079194318 /nfs/dbraw/zinc/19/43/18/1079194318.db2.gz KIUXSZJIDKYGPX-KRWDZBQOSA-N 1 0 419.570 2.177 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1sccc1Cl ZINC001169183556 1079194400 /nfs/dbraw/zinc/19/44/00/1079194400.db2.gz KKGCDYUFVYJEMZ-GFCCVEGCSA-N 1 0 409.943 2.497 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]1c1nccs1 ZINC001169207653 1079195570 /nfs/dbraw/zinc/19/55/70/1079195570.db2.gz LEXKFUQPSHDLPC-HUUCEWRRSA-N 1 0 416.551 2.286 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(c2cccnc2)CC1 ZINC001169213451 1079197298 /nfs/dbraw/zinc/19/72/98/1079197298.db2.gz QCZGLKUESWDQCG-QGZVFWFLSA-N 1 0 424.549 2.267 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)c3cnc(C4(C)OCCO4)s3)CC[NH2+]2)c1 ZINC001169261824 1079205773 /nfs/dbraw/zinc/20/57/73/1079205773.db2.gz XTPVGZXLXXFTPT-OAHLLOKOSA-N 1 0 403.504 2.028 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(CN3C(=O)OC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000771172647 1079207906 /nfs/dbraw/zinc/20/79/06/1079207906.db2.gz CUVFMQSDNJKYOR-QFIPXVFZSA-N 1 0 400.567 2.498 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(Cn3c(-c4ccccn4)csc3=O)CC2)CC1 ZINC000771174819 1079208863 /nfs/dbraw/zinc/20/88/63/1079208863.db2.gz NHRZPFSSDROJHG-UHFFFAOYSA-N 1 0 401.580 2.420 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(Cn3[nH]c(-c4ccccn4)nc3=S)CC2)CC1 ZINC000771174870 1079208909 /nfs/dbraw/zinc/20/89/09/1079208909.db2.gz NSKZJUAQQZWREB-UHFFFAOYSA-N 1 0 401.584 2.451 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)CCCNC(=O)c3ccc(F)cc3)CC[NH2+]2)c1 ZINC001169250542 1079211900 /nfs/dbraw/zinc/21/19/00/1079211900.db2.gz JLRJEJZWIRSLHI-FQEVSTJZSA-N 1 0 413.493 2.387 20 0 HEADRO COC(=O)c1cn(CC(=O)N2CC[NH2+][C@@H](Cc3cccc(OC)c3)C2)c2ccccc12 ZINC001169251992 1079212198 /nfs/dbraw/zinc/21/21/98/1079212198.db2.gz SNGDPHJZYQQNTH-SFHVURJKSA-N 1 0 421.497 2.480 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)c3cn(Cc4cccc(F)c4)nn3)CC[NH2+]2)c1 ZINC001169251831 1079212436 /nfs/dbraw/zinc/21/24/36/1079212436.db2.gz PYRISIXXIIVBRN-IBGZPJMESA-N 1 0 409.465 2.131 20 0 HEADRO COCCNC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO)CCCC2 ZINC001169274056 1079215097 /nfs/dbraw/zinc/21/50/97/1079215097.db2.gz WKNKTLMWQBFDAU-GDBMZVCRSA-N 1 0 423.579 2.082 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000771226391 1079217302 /nfs/dbraw/zinc/21/73/02/1079217302.db2.gz HVSFPNMXZRJAOE-OXJNMPFZSA-N 1 0 414.550 2.485 20 0 HEADRO O[C@@H](C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)C[C@]1(O)CCOC1 ZINC001169293822 1079217376 /nfs/dbraw/zinc/21/73/76/1079217376.db2.gz ZCSGPRHLBFVFNA-RTBURBONSA-N 1 0 414.340 2.333 20 0 HEADRO COCCOCCOCCOCC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169281894 1079218067 /nfs/dbraw/zinc/21/80/67/1079218067.db2.gz ORJJWJWKPHFPLA-UHFFFAOYSA-N 1 0 409.523 2.440 20 0 HEADRO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000766650284 1079218751 /nfs/dbraw/zinc/21/87/51/1079218751.db2.gz JUFVZWMGOMRDQL-QRWLVFNGSA-N 1 0 417.481 2.333 20 0 HEADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)Nc1ccnn1CC1CC1 ZINC000771210731 1079229178 /nfs/dbraw/zinc/22/91/78/1079229178.db2.gz GFTPWJANOOQFBM-UHFFFAOYSA-N 1 0 410.522 2.392 20 0 HEADRO COc1c(C)cnc(CNC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1C ZINC000771215625 1079231058 /nfs/dbraw/zinc/23/10/58/1079231058.db2.gz XKRRUPNYBHMRCV-UHFFFAOYSA-N 1 0 403.571 2.407 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CO1 ZINC001169334983 1079237342 /nfs/dbraw/zinc/23/73/42/1079237342.db2.gz OTWLZHZHWBGHCU-DLRJPAPCSA-N 1 0 412.527 2.245 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000771287413 1079241499 /nfs/dbraw/zinc/24/14/99/1079241499.db2.gz LKZNZWHCKOOVJK-SJLPKXTDSA-N 1 0 404.511 2.362 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)CO1 ZINC001169375130 1079246061 /nfs/dbraw/zinc/24/60/61/1079246061.db2.gz UMNUWLCNACGHHG-VSZNYVQBSA-N 1 0 412.527 2.055 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCNC(=O)c2ncsc2-c2cccc(F)c2)CO1 ZINC001169376625 1079246736 /nfs/dbraw/zinc/24/67/36/1079246736.db2.gz SNYLDUMQQNKJIL-JKSUJKDBSA-N 1 0 421.494 2.379 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3C(=O)OC)CC2)CO1 ZINC001169351904 1079248418 /nfs/dbraw/zinc/24/84/18/1079248418.db2.gz NXYWOQJRUVNARR-AZUAARDMSA-N 1 0 404.507 2.138 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)CO1 ZINC001169354364 1079249488 /nfs/dbraw/zinc/24/94/88/1079249488.db2.gz UCRFZNNBNPMTOQ-UKRRQHHQSA-N 1 0 400.269 2.436 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC(Oc3ncc(Br)cn3)CC2)CO1 ZINC001169404454 1079251651 /nfs/dbraw/zinc/25/16/51/1079251651.db2.gz NBFDHZDONAMAOS-ZFWWWQNUSA-N 1 0 414.300 2.193 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)CO1 ZINC001169383889 1079254881 /nfs/dbraw/zinc/25/48/81/1079254881.db2.gz CIRISMGAZWVXAN-XNTOXWQXSA-N 1 0 404.507 2.331 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001687510732 1079252569 /nfs/dbraw/zinc/25/25/69/1079252569.db2.gz FDMWMRXJPMUDPP-HCXYKTFWSA-N 1 0 423.602 2.100 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CO1 ZINC001169386210 1079257505 /nfs/dbraw/zinc/25/75/05/1079257505.db2.gz LJRKSDDMMGIDDP-VXCLMFOKSA-N 1 0 406.523 2.302 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)CO1 ZINC001169388904 1079259412 /nfs/dbraw/zinc/25/94/12/1079259412.db2.gz QVNJOYUIUSNXQE-LQBOVUBWSA-N 1 0 402.491 2.235 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccc(-n4cncn4)nc3)c2)CC1 ZINC000771274637 1079262507 /nfs/dbraw/zinc/26/25/07/1079262507.db2.gz WTHVCJRSQREVQY-UHFFFAOYSA-N 1 0 406.494 2.126 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H](N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CO1 ZINC001169397953 1079270391 /nfs/dbraw/zinc/27/03/91/1079270391.db2.gz OPWFMXQCFHYPMZ-LXHROKJGSA-N 1 0 416.566 2.169 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)CO1 ZINC001169398190 1079271202 /nfs/dbraw/zinc/27/12/02/1079271202.db2.gz PPVCHOHCKCLBCI-RYRKJORJSA-N 1 0 408.470 2.334 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2Cc3cncn3C[C@H](COCc3ccccn3)C2)CO1 ZINC001169400445 1079274481 /nfs/dbraw/zinc/27/44/81/1079274481.db2.gz ZHSLKMYSSCCOAS-LMNJBCLMSA-N 1 0 414.506 2.037 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CO1 ZINC001169394780 1079267028 /nfs/dbraw/zinc/26/70/28/1079267028.db2.gz GEXKKPITKDLRQN-URFJDIBFSA-N 1 0 400.519 2.435 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H](C)NC(=O)OCc3ccccc3)CC2)CC1 ZINC000771294064 1079267210 /nfs/dbraw/zinc/26/72/10/1079267210.db2.gz DCNXDCWEZJDQNK-IBGZPJMESA-N 1 0 416.566 2.318 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2Cc3cncn3C[C@H](COCc3ccccn3)C2)CO1 ZINC001169400446 1079274630 /nfs/dbraw/zinc/27/46/30/1079274630.db2.gz ZHSLKMYSSCCOAS-QFUCXCTJSA-N 1 0 414.506 2.037 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)c2ccccc2N(CCOC)C3=O)CO1 ZINC001169396149 1079268637 /nfs/dbraw/zinc/26/86/37/1079268637.db2.gz KYSRUKRSFJDNDJ-XLIONFOSSA-N 1 0 416.518 2.124 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCOC[C@@]3(CCN(Cc4csc(C)n4)C3)C2)CO1 ZINC001169397379 1079269513 /nfs/dbraw/zinc/26/95/13/1079269513.db2.gz MOHRLXBLMMBBFW-QKNQBKEWSA-N 1 0 423.579 2.087 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)CO1 ZINC001169397976 1079270190 /nfs/dbraw/zinc/27/01/90/1079270190.db2.gz PCDMQBPVTGMPOT-RDJZCZTQSA-N 1 0 408.520 2.057 20 0 HEADRO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+]([C@@H]3CC[C@H](C(=O)OCC)OC3)C2)cc1 ZINC001169416238 1079276523 /nfs/dbraw/zinc/27/65/23/1079276523.db2.gz BCBLITSGKKJUTR-YZGWKJHDSA-N 1 0 404.507 2.390 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)C1 ZINC000771323017 1079286736 /nfs/dbraw/zinc/28/67/36/1079286736.db2.gz IGDXGBKWKRSMQY-HKUYNNGSSA-N 1 0 418.538 2.416 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH+]1CCN(c2ncnc3cc(OC)c(OC)cc32)CC1 ZINC001169477415 1079303758 /nfs/dbraw/zinc/30/37/58/1079303758.db2.gz AFPCZJMDNFEHDH-INIZCTEOSA-N 1 0 415.538 2.416 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CC1 ZINC001169484863 1079305107 /nfs/dbraw/zinc/30/51/07/1079305107.db2.gz QHSNUAMURGDUQI-MAUKXSAKSA-N 1 0 413.559 2.412 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([C@H](NC(=O)OC(C)(C)C)C(=O)OC)CC1 ZINC001169484865 1079305194 /nfs/dbraw/zinc/30/51/94/1079305194.db2.gz QHSNUAMURGDUQI-YJBOKZPZSA-N 1 0 413.559 2.412 20 0 HEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771369979 1079306590 /nfs/dbraw/zinc/30/65/90/1079306590.db2.gz FSXKXCYMAWDGGK-JLTOFOAXSA-N 1 0 424.904 2.237 20 0 HEADRO CCN(C)c1nc2c(cc1C(=O)OC)CC[N@@H+]([C@@H](C)CC(=O)N(CC)CC)CC2 ZINC001169465825 1079307934 /nfs/dbraw/zinc/30/79/34/1079307934.db2.gz BGGGRESSQBLJSY-INIZCTEOSA-N 1 0 404.555 2.372 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)n1nc(C(=O)N(C)Cc2ccccn2)c2c1CC[NH2+]C2 ZINC001169468488 1079308983 /nfs/dbraw/zinc/30/89/83/1079308983.db2.gz XDNDNWHUDHTEPJ-MRXNPFEDSA-N 1 0 412.538 2.016 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1C[C@@H]2C[C@H](CC(=O)NCc3cccs3)O[C@@H]2C1 ZINC001169470593 1079309738 /nfs/dbraw/zinc/30/97/38/1079309738.db2.gz FSOPGEBAHSNFEZ-IMBTUZDBSA-N 1 0 407.580 2.491 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)N(c1nc2c(cc1C(=O)OC)CC[NH2+]CC2)C(C)C ZINC001169470185 1079309771 /nfs/dbraw/zinc/30/97/71/1079309771.db2.gz BBEOXWWROUZWFZ-MRXNPFEDSA-N 1 0 404.555 2.418 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH+]1CCC2(CC1)OCC(=O)N(Cc1cccnc1)[C@H]2C ZINC001169473894 1079311604 /nfs/dbraw/zinc/31/16/04/1079311604.db2.gz GLMDZKKOHMBVCN-OALUTQOASA-N 1 0 416.566 2.311 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC001169473921 1079311622 /nfs/dbraw/zinc/31/16/22/1079311622.db2.gz GUHPIJXXFSWFSH-RCZSKKKRSA-N 1 0 421.607 2.311 20 0 HEADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](C[C@@H]3C[C@H]4CCC[C@H]4O3)C2)C(=O)C1 ZINC001169475562 1079313243 /nfs/dbraw/zinc/31/32/43/1079313243.db2.gz ZUNNKIVSBCDKEI-AKHDSKFASA-N 1 0 407.555 2.488 20 0 HEADRO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169498452 1079314730 /nfs/dbraw/zinc/31/47/30/1079314730.db2.gz XHSLYBBQZKPXMG-DHIUTWEWSA-N 1 0 410.518 2.499 20 0 HEADRO CCOC(=O)C1(Nc2ccc3nc(NC(=O)C(F)(F)F)cn3c2)CC[NH+](C)CC1 ZINC001169491191 1079320338 /nfs/dbraw/zinc/32/03/38/1079320338.db2.gz FDPFXVGOJBVPOR-UHFFFAOYSA-N 1 0 413.400 2.275 20 0 HEADRO CC(=O)N1CC[C@H](N([C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)S(C)(=O)=O)C1 ZINC001169525332 1079323325 /nfs/dbraw/zinc/32/33/25/1079323325.db2.gz BNPPSFBLXKXTJV-PWRODBHTSA-N 1 0 401.532 2.310 20 0 HEADRO CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3Cc3csc(C)n3)C2)C1 ZINC001169574092 1079335206 /nfs/dbraw/zinc/33/52/06/1079335206.db2.gz LDWHOROFBGVBPU-QZTJIDSGSA-N 1 0 400.548 2.119 20 0 HEADRO Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000766757564 1079337722 /nfs/dbraw/zinc/33/77/22/1079337722.db2.gz NIDODZFLHMNMGT-VXKWHMMOSA-N 1 0 411.550 2.466 20 0 HEADRO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000766757045 1079338111 /nfs/dbraw/zinc/33/81/11/1079338111.db2.gz FWDINHPVKIYURO-NHCUHLMSSA-N 1 0 412.538 2.077 20 0 HEADRO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000766759955 1079342192 /nfs/dbraw/zinc/34/21/92/1079342192.db2.gz WNGHKQPJDYMHLT-PZJWPPBQSA-N 1 0 415.538 2.158 20 0 HEADRO CC(=O)N1CCC[C@@H]([NH+]2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@@H]3C)C1 ZINC001169604271 1079342226 /nfs/dbraw/zinc/34/22/26/1079342226.db2.gz CBIQHZYPZCXANN-DNVCBOLYSA-N 1 0 420.579 2.044 20 0 HEADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000766762607 1079346043 /nfs/dbraw/zinc/34/60/43/1079346043.db2.gz DYZZWPCYQBUNHU-SFHVURJKSA-N 1 0 423.579 2.234 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(-n4ncn(C)c4=O)cc3)cc2)CC1 ZINC000771445207 1079346896 /nfs/dbraw/zinc/34/68/96/1079346896.db2.gz WYVOAIBZDIJJSA-UHFFFAOYSA-N 1 0 421.505 2.357 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN4CCOc5cccc3c54)cc2)CC1 ZINC000771467543 1079348547 /nfs/dbraw/zinc/34/85/47/1079348547.db2.gz PJEGOAKFVWEJLW-UHFFFAOYSA-N 1 0 421.545 2.486 20 0 HEADRO CCOC(=O)c1cn2nc([C@@H]3CCC[N@@H+]([C@H]4CCCN(C(C)=O)C4)C3)sc2n1 ZINC001169638013 1079350561 /nfs/dbraw/zinc/35/05/61/1079350561.db2.gz CIUJSBXEEKVQES-CABCVRRESA-N 1 0 405.524 2.158 20 0 HEADRO CCOC(=O)N1CCC[C@H]([NH2+][C@H](CO)[C@@H](O)c2ccc(Br)cc2)CC1 ZINC001169640119 1079363302 /nfs/dbraw/zinc/36/33/02/1079363302.db2.gz MEWUZMXFCCZGDD-BBWFWOEESA-N 1 0 415.328 2.444 20 0 HEADRO CCOC(=O)N1CCC[C@H]([N@@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)CC1 ZINC001169685282 1079367946 /nfs/dbraw/zinc/36/79/46/1079367946.db2.gz ITCVJZSGGZLMQY-GHTZIAJQSA-N 1 0 403.527 2.016 20 0 HEADRO 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CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)[C@@H](CO)C1 ZINC001169741721 1079385320 /nfs/dbraw/zinc/38/53/20/1079385320.db2.gz BXPHSBCHWIKQND-VAMGGRTRSA-N 1 0 417.550 2.499 20 0 HEADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+][C@]2(CO)CCOc3ccccc32)CC1 ZINC001169699203 1079379371 /nfs/dbraw/zinc/37/93/71/1079379371.db2.gz XMCCMBHETSODFR-GCJKJVERSA-N 1 0 406.523 2.254 20 0 HEADRO CO[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001169704873 1079380500 /nfs/dbraw/zinc/38/05/00/1079380500.db2.gz OUDJJIXNMOZFLD-OALUTQOASA-N 1 0 409.552 2.347 20 0 HEADRO O=Cc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000771582920 1079380519 /nfs/dbraw/zinc/38/05/19/1079380519.db2.gz OAGOIDFIULCABY-HNNXBMFYSA-N 1 0 411.296 2.010 20 0 HEADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771583929 1079381091 /nfs/dbraw/zinc/38/10/91/1079381091.db2.gz WSLJGPNQUKVQEC-XIRDDKMYSA-N 1 0 411.543 2.116 20 0 HEADRO 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CC[C@]1(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000771625730 1079409178 /nfs/dbraw/zinc/40/91/78/1079409178.db2.gz GWWOPOLOXDQYHY-JOCHJYFZSA-N 1 0 424.586 2.083 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)C1 ZINC001169773998 1079410419 /nfs/dbraw/zinc/41/04/19/1079410419.db2.gz XVKNNXVYVZCVPX-BDTNDASRSA-N 1 0 404.514 2.277 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@H]([NH+]2CCC3(C[C@H]3C(=O)N3CCOCC3)CC2)C1 ZINC001169774061 1079410441 /nfs/dbraw/zinc/41/04/41/1079410441.db2.gz UJQLNFABLMALLR-SFTDATJTSA-N 1 0 411.546 2.252 20 0 HEADRO COC[C@H]([NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)cc1 ZINC001169810249 1079428115 /nfs/dbraw/zinc/42/81/15/1079428115.db2.gz HSSNDQJMHJTZGG-INIZCTEOSA-N 1 0 422.913 2.293 20 0 HEADRO CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@H](C)CC[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000771657470 1079428285 /nfs/dbraw/zinc/42/82/85/1079428285.db2.gz NGTGYVHCBABKOR-NQIIRXRSSA-N 1 0 400.567 2.305 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1 ZINC000771663242 1079432231 /nfs/dbraw/zinc/43/22/31/1079432231.db2.gz JDOGWTGRQSKYTL-UHFFFAOYSA-N 1 0 418.563 2.028 20 0 HEADRO CS(=O)(=O)C1CCC([NH2+][C@@H]2CCc3c(ccc(=O)n3Cc3ccncc3)C2)CC1 ZINC001169852468 1079447687 /nfs/dbraw/zinc/44/76/87/1079447687.db2.gz WMRKVCIMNRWZJR-IOJLRTSASA-N 1 0 415.559 2.094 20 0 HEADRO CS(=O)(=O)C1CCC([NH+]2CCC3(CC2)COCCN(c2nccs2)C3)CC1 ZINC001169880579 1079455045 /nfs/dbraw/zinc/45/50/45/1079455045.db2.gz PJFLJEOBFUMKDZ-UHFFFAOYSA-N 1 0 413.609 2.418 20 0 HEADRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000766860024 1079464336 /nfs/dbraw/zinc/46/43/36/1079464336.db2.gz FYDYKPTZBRKJKN-OXJNMPFZSA-N 1 0 415.513 2.284 20 0 HEADRO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169874392 1079465633 /nfs/dbraw/zinc/46/56/33/1079465633.db2.gz YPUQCANGHFRBNS-FOIPXRHGSA-N 1 0 418.600 2.050 20 0 HEADRO 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COc1cccc(/C=C(/C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n2nnnc2C)c1 ZINC000737690888 1075919660 /nfs/dbraw/zinc/91/96/60/1075919660.db2.gz FSQBMRTZXVCMEG-DSPRMBBKSA-N 1 0 410.522 2.465 20 0 HEADRO O=C(C[C@@H]1OC[C@H]2C[N@@H+]([C@@H]3CCCC4(C3)OCCO4)CC[C@H]21)NCc1ccco1 ZINC001169947135 1079489426 /nfs/dbraw/zinc/48/94/26/1079489426.db2.gz DXNIROROPULYPN-LFGUQSLTSA-N 1 0 404.507 2.309 20 0 HEADRO C[NH+]1CCN(CCCNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000737772896 1075927776 /nfs/dbraw/zinc/92/77/76/1075927776.db2.gz MXTZEAFMEJMGIO-JOCHJYFZSA-N 1 0 424.545 2.408 20 0 HEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1 ZINC000737822535 1075933371 /nfs/dbraw/zinc/93/33/71/1075933371.db2.gz LBKKJQWGDHGSCI-IRXDYDNUSA-N 1 0 400.502 2.037 20 0 HEADRO Cc1oc(-c2ccccc2F)nc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000737829415 1075934072 /nfs/dbraw/zinc/93/40/72/1075934072.db2.gz CAVBQIOHKRFSKI-QGZVFWFLSA-N 1 0 402.470 2.462 20 0 HEADRO 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JEXCDRJWNDLOHJ-JOCHJYFZSA-N 1 0 416.591 2.463 20 0 HEADRO C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000740890690 1076291127 /nfs/dbraw/zinc/29/11/27/1076291127.db2.gz IZJVQOJIKLXWMC-UHFFFAOYSA-N 1 0 417.531 2.438 20 0 HEADRO C[C@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[N@H+](C)Cc1ccccc1 ZINC000740892073 1076293020 /nfs/dbraw/zinc/29/30/20/1076293020.db2.gz GCUAQNIMKISGMW-MRXNPFEDSA-N 1 0 403.504 2.442 20 0 HEADRO C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740918292 1076304598 /nfs/dbraw/zinc/30/45/98/1076304598.db2.gz ZAWACIUZMAVTLU-ZIFCJYIRSA-N 1 0 424.586 2.432 20 0 HEADRO CC[C@@H](C(=O)OCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)[NH+](CC)CC ZINC000741033103 1076332177 /nfs/dbraw/zinc/33/21/77/1076332177.db2.gz NEZVJRRUQXKMQY-IBGZPJMESA-N 1 0 409.571 2.338 20 0 HEADRO O=C(NCc1cc(F)ccc1N1CCOCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000741088796 1076350382 /nfs/dbraw/zinc/35/03/82/1076350382.db2.gz CQSPMKIFOUORHE-FQEVSTJZSA-N 1 0 420.529 2.105 20 0 HEADRO C[N@H+](CCCO)C1CCN(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000741089768 1076351893 /nfs/dbraw/zinc/35/18/93/1076351893.db2.gz INMMTFMXRFTLTL-UHFFFAOYSA-N 1 0 412.575 2.311 20 0 HEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2Cl)c(OCC[NH+](C)C)c1 ZINC000741105529 1076358057 /nfs/dbraw/zinc/35/80/57/1076358057.db2.gz UFPONHMNEURLMI-SFHVURJKSA-N 1 0 419.909 2.377 20 0 HEADRO COc1ccc([C@H]2[C@@H](COC(=O)CSc3nnnn3C3CC3)CC[N@@H+]2C)cc1 ZINC000741124481 1076380290 /nfs/dbraw/zinc/38/02/90/1076380290.db2.gz NMSRDTJJTJPJFT-KDOFPFPSSA-N 1 0 403.508 2.345 20 0 HEADRO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741156891 1076389068 /nfs/dbraw/zinc/38/90/68/1076389068.db2.gz KCHYNAVHPAOVNA-MOPGFXCFSA-N 1 0 408.587 2.262 20 0 HEADRO C[NH+](C)C1(CC(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CCCC1 ZINC001066352448 1076391117 /nfs/dbraw/zinc/39/11/17/1076391117.db2.gz RNOZADGMUPCFAE-SIFVSHMBSA-N 1 0 403.567 2.172 20 0 HEADRO C[NH+](C)C1(CC(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CCCC1 ZINC001066352447 1076391157 /nfs/dbraw/zinc/39/11/57/1076391157.db2.gz RNOZADGMUPCFAE-KKEPMVJESA-N 1 0 403.567 2.172 20 0 HEADRO Cc1nc(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c2ccccn12 ZINC000741213185 1076406256 /nfs/dbraw/zinc/40/62/56/1076406256.db2.gz BNAGPWZITQQQRW-UHFFFAOYSA-N 1 0 405.502 2.398 20 0 HEADRO CN(C)c1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)NCCc2ccccc2)cc1 ZINC000741240992 1076432511 /nfs/dbraw/zinc/43/25/11/1076432511.db2.gz NUOLVEKZOSKIDR-UHFFFAOYSA-O 1 0 408.551 2.297 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CCO1 ZINC000741267041 1076436685 /nfs/dbraw/zinc/43/66/85/1076436685.db2.gz PYFWDPWEISWCIR-DLBZAZTESA-N 1 0 409.552 2.495 20 0 HEADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@@H](O)c2ccc(C)o2)CC1 ZINC000741267899 1076437415 /nfs/dbraw/zinc/43/74/15/1076437415.db2.gz DGGAUHCWEXIOME-HXUWFJFHSA-N 1 0 400.523 2.258 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000741267540 1076437655 /nfs/dbraw/zinc/43/76/55/1076437655.db2.gz JOGOXYNKBYTLEJ-XLIONFOSSA-N 1 0 403.523 2.392 20 0 HEADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@H](O)c3ccc(C)o3)cc2)CC1 ZINC000741269389 1076438476 /nfs/dbraw/zinc/43/84/76/1076438476.db2.gz JONCKKSBYRYMLJ-HXUWFJFHSA-N 1 0 400.523 2.258 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)CCN4C=O)cc2)CC1 ZINC000741340904 1076473752 /nfs/dbraw/zinc/47/37/52/1076473752.db2.gz KNTMOWJCWNRBLD-UHFFFAOYSA-N 1 0 421.497 2.387 20 0 HEADRO CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000741325229 1076476852 /nfs/dbraw/zinc/47/68/52/1076476852.db2.gz HQYTZPQFXLSSJW-UXHICEINSA-N 1 0 416.518 2.244 20 0 HEADRO CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000741326588 1076477451 /nfs/dbraw/zinc/47/74/51/1076477451.db2.gz LWKKUNOESSZJNN-WOJBJXKFSA-N 1 0 416.518 2.386 20 0 HEADRO COC(=O)C1(NC(=O)COC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000741329000 1076478002 /nfs/dbraw/zinc/47/80/02/1076478002.db2.gz SNHWRARQIQAJJH-LJQANCHMSA-N 1 0 416.518 2.434 20 0 HEADRO COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000741330750 1076479033 /nfs/dbraw/zinc/47/90/33/1076479033.db2.gz QTDSJKSPQNLSQR-KRWDZBQOSA-N 1 0 416.518 2.242 20 0 HEADRO COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000741330753 1076479121 /nfs/dbraw/zinc/47/91/21/1076479121.db2.gz QTDSJKSPQNLSQR-QGZVFWFLSA-N 1 0 416.518 2.242 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NC(=O)Nc3ccccc3)cc2)CC1 ZINC000741342541 1076486154 /nfs/dbraw/zinc/48/61/54/1076486154.db2.gz QJMLWYIQAVIEIE-UHFFFAOYSA-N 1 0 410.474 2.334 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)CCO1 ZINC000741385115 1076508124 /nfs/dbraw/zinc/50/81/24/1076508124.db2.gz KAYULPRRBHAICS-SFHVURJKSA-N 1 0 424.929 2.278 20 0 HEADRO CON(C)C(=O)c1ccc(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741396926 1076510080 /nfs/dbraw/zinc/51/00/80/1076510080.db2.gz VCINWGXOXKTURQ-JOCHJYFZSA-N 1 0 412.490 2.079 20 0 HEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCc2nnc(-c3ccccc3)[nH]2)CC1 ZINC000741415980 1076515722 /nfs/dbraw/zinc/51/57/22/1076515722.db2.gz JSPXBPCTPWEKNG-QZTJIDSGSA-N 1 0 411.554 2.172 20 0 HEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1cccc(CN2CCOC2=O)c1 ZINC000741391600 1076519453 /nfs/dbraw/zinc/51/94/53/1076519453.db2.gz OCQNENQQFFPBOG-HSZRJFAPSA-N 1 0 424.501 2.397 20 0 HEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000741428506 1076522067 /nfs/dbraw/zinc/52/20/67/1076522067.db2.gz YBRJJILMFGTFES-DEOSSOPVSA-N 1 0 418.497 2.169 20 0 HEADRO CCc1cccc(CC)c1NC(=S)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000741502748 1076539388 /nfs/dbraw/zinc/53/93/88/1076539388.db2.gz WZZQTFNGYMLUCT-UHFFFAOYSA-N 1 0 402.568 2.495 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)[C@H](C)C1 ZINC000741591682 1076548459 /nfs/dbraw/zinc/54/84/59/1076548459.db2.gz URXAMNLJWKJSJX-UZLBHIALSA-N 1 0 415.538 2.403 20 0 HEADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000741577794 1076551807 /nfs/dbraw/zinc/55/18/07/1076551807.db2.gz LXUZNLLWKIBQHI-MRXNPFEDSA-N 1 0 422.451 2.194 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000741583471 1076554074 /nfs/dbraw/zinc/55/40/74/1076554074.db2.gz FLOHVEAFTKRIGL-SRDOKRBCSA-N 1 0 422.529 2.405 20 0 HEADRO COC(=O)N[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)C(C)C ZINC000741610482 1076565367 /nfs/dbraw/zinc/56/53/67/1076565367.db2.gz CMSHDOLTEHAKLC-MSOLQXFVSA-N 1 0 404.511 2.172 20 0 HEADRO CN(C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)[C@H]1CCC[N@H+](C)C1 ZINC000741625270 1076570146 /nfs/dbraw/zinc/57/01/46/1076570146.db2.gz NDLQEMBMSPSRQR-INIZCTEOSA-N 1 0 406.531 2.016 20 0 HEADRO CCS(=O)(=O)NCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000741662688 1076580938 /nfs/dbraw/zinc/58/09/38/1076580938.db2.gz KJCZRZNOCMHFKT-UHFFFAOYSA-N 1 0 416.547 2.130 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(c4cccc(O)c4)CC3)cc2)CC1 ZINC000741695113 1076581982 /nfs/dbraw/zinc/58/19/82/1076581982.db2.gz GMXXNWAWFAAROH-UHFFFAOYSA-N 1 0 423.561 2.295 20 0 HEADRO CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2=O)cc1 ZINC000741689742 1076588215 /nfs/dbraw/zinc/58/82/15/1076588215.db2.gz FSCDOOPWHOWIQE-UGKGYDQZSA-N 1 0 412.578 2.448 20 0 HEADRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000741720823 1076593550 /nfs/dbraw/zinc/59/35/50/1076593550.db2.gz CDYFYFBGYMQTTD-HOCLYGCPSA-N 1 0 420.558 2.371 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC[N@@H+]1C ZINC000741723874 1076594797 /nfs/dbraw/zinc/59/47/97/1076594797.db2.gz JJVXJRRZHCLVST-RCBZHFPTSA-N 1 0 405.564 2.298 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC[N@@H+]1C ZINC000741726872 1076608724 /nfs/dbraw/zinc/60/87/24/1076608724.db2.gz XVXGZZVQWLCGNX-CABCVRRESA-N 1 0 406.531 2.063 20 0 HEADRO Cc1ccccc1[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000741781727 1076625103 /nfs/dbraw/zinc/62/51/03/1076625103.db2.gz OUWFZNVOBGZMLZ-HKUYNNGSSA-N 1 0 405.539 2.381 20 0 HEADRO CCOC(=O)C1C(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000741790960 1076629350 /nfs/dbraw/zinc/62/93/50/1076629350.db2.gz ONDXYORRUNBBGJ-XAUMDUMWSA-N 1 0 400.523 2.272 20 0 HEADRO Cc1cccc(C2(O)CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)c1C ZINC000741812635 1076635261 /nfs/dbraw/zinc/63/52/61/1076635261.db2.gz ZWIAPGQVCWVQBY-UHFFFAOYSA-N 1 0 423.561 2.116 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000741814471 1076635816 /nfs/dbraw/zinc/63/58/16/1076635816.db2.gz KBKVTHYESRSTTC-FQEVSTJZSA-N 1 0 415.534 2.214 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)Cc1ccccc1 ZINC000766280006 1076672116 /nfs/dbraw/zinc/67/21/16/1076672116.db2.gz QPYZDLNJDDBVHS-HNNXBMFYSA-N 1 0 405.296 2.072 20 0 HEADRO C#CCCN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc3ccccc3n2)CC1 ZINC000065309836 1076711591 /nfs/dbraw/zinc/71/15/91/1076711591.db2.gz UWQMGMZIZRJWMM-OAQYLSRUSA-N 1 0 424.570 2.254 20 0 HEADRO COc1ccc(C(=O)N(CCc2ccccc2)CC[NH+](C)C)cc1N1CCNC1=O ZINC000742046791 1076716687 /nfs/dbraw/zinc/71/66/87/1076716687.db2.gz BRIBUGOMRLAQGY-UHFFFAOYSA-N 1 0 410.518 2.471 20 0 HEADRO C[C@H](CNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[NH+]1CCC(C)CC1 ZINC000742056762 1076720455 /nfs/dbraw/zinc/72/04/55/1076720455.db2.gz BXCMXSSYPQPIDO-QGZVFWFLSA-N 1 0 420.579 2.084 20 0 HEADRO C[C@@H]1C[N@@H+](CCCNC(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000742039793 1076727328 /nfs/dbraw/zinc/72/73/28/1076727328.db2.gz QPNUGIPCNNXWFP-KSZLIROESA-N 1 0 413.559 2.018 20 0 HEADRO O=C(/C=C\c1ccccc1)N1CCC(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000742105241 1076743038 /nfs/dbraw/zinc/74/30/38/1076743038.db2.gz UFXNEGZDYZAZAK-NGXITPROSA-N 1 0 411.546 2.119 20 0 HEADRO Cc1sc(=O)n(CC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1-c1ccc(F)cc1 ZINC000742105192 1076743200 /nfs/dbraw/zinc/74/32/00/1076743200.db2.gz ROHUEXQLPMYDLF-INIZCTEOSA-N 1 0 419.522 2.205 20 0 HEADRO O=C(OCc1ccccc1)N1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742107481 1076744105 /nfs/dbraw/zinc/74/41/05/1076744105.db2.gz LCKMUCWIGFGUAT-SFTDATJTSA-N 1 0 415.534 2.358 20 0 HEADRO O=C(/C=C\c1ccc(I)o1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742107162 1076744552 /nfs/dbraw/zinc/74/45/52/1076744552.db2.gz GLWDLKMYMKSRBE-QDOCKXBDSA-N 1 0 416.259 2.078 20 0 HEADRO CC(C)N1C(=O)c2ccc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc2S1(=O)=O ZINC000742136957 1076751700 /nfs/dbraw/zinc/75/17/00/1076751700.db2.gz JKMCMNMJALSKPU-MRXNPFEDSA-N 1 0 407.536 2.186 20 0 HEADRO S=c1n(CN2CC[C@H](C[NH+]3CCCCC3)C2)nc(N2CCOCC2)n1C1CC1 ZINC000742170064 1076763311 /nfs/dbraw/zinc/76/33/11/1076763311.db2.gz WUBZVYDEVWXENA-QGZVFWFLSA-N 1 0 406.600 2.351 20 0 HEADRO O=C1C(=O)N(CN2CC[C@@H](C[NH+]3CCCCC3)C2)C(=O)N1CCC1=CCCCC1 ZINC000742172236 1076763908 /nfs/dbraw/zinc/76/39/08/1076763908.db2.gz SKQWVAITBSKYDI-IBGZPJMESA-N 1 0 402.539 2.433 20 0 HEADRO COc1ccc(OCc2nn(CN3CC[NH+](CC(C)(C)O)CC3)c(=S)o2)cc1 ZINC000742150366 1076766588 /nfs/dbraw/zinc/76/65/88/1076766588.db2.gz DGBFZXHTWCHMKG-UHFFFAOYSA-N 1 0 408.524 2.139 20 0 HEADRO O=C(C[NH+]1CCCC1)N1CCN(Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)CC1 ZINC000742151535 1076767329 /nfs/dbraw/zinc/76/73/29/1076767329.db2.gz IXFHOUPYRHVSTM-UHFFFAOYSA-N 1 0 422.505 2.083 20 0 HEADRO C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CN2CC[C@H]([NH+]3CC=CC3)C2)C1=O ZINC000742162835 1076772696 /nfs/dbraw/zinc/77/26/96/1076772696.db2.gz KESMOMUHCSCTGR-LPHOPBHVSA-N 1 0 419.323 2.120 20 0 HEADRO COc1ccccc1Cc1nn(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(=S)o1 ZINC000742162709 1076772812 /nfs/dbraw/zinc/77/28/12/1076772812.db2.gz XXTLNNZPQZFVLR-INIZCTEOSA-N 1 0 404.536 2.417 20 0 HEADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN(C4=NC[C@@H](C)S4)CC3)cc2)CC1 ZINC000742190807 1076779059 /nfs/dbraw/zinc/77/90/59/1076779059.db2.gz JWQFUTXUVPURTF-GOSISDBHSA-N 1 0 415.607 2.466 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)NCCC[NH+]2CCCC2)C1 ZINC000742272235 1076807634 /nfs/dbraw/zinc/80/76/34/1076807634.db2.gz VJZIZAZOFYVHLE-LJQANCHMSA-N 1 0 409.552 2.193 20 0 HEADRO C[C@@H]1C[C@@H](NS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC[N@@H+]1C ZINC000742308405 1076814454 /nfs/dbraw/zinc/81/44/54/1076814454.db2.gz FIMJXYRGJSPZEE-NZSAHSFTSA-N 1 0 409.552 2.190 20 0 HEADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742295047 1076820060 /nfs/dbraw/zinc/82/00/60/1076820060.db2.gz QFYXCALLMZYTAH-WOJBJXKFSA-N 1 0 421.563 2.286 20 0 HEADRO C[C@@H]1C[C@@H](NS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC[N@@H+]1C ZINC000742310763 1076826867 /nfs/dbraw/zinc/82/68/67/1076826867.db2.gz ZYNXFWOREJDYLZ-HOJAQTOUSA-N 1 0 423.579 2.437 20 0 HEADRO C[C@@H](CNS(=O)(=O)/C=C/c1ccccc1Br)CN1CC[NH+](C)CC1 ZINC000742312856 1076827851 /nfs/dbraw/zinc/82/78/51/1076827851.db2.gz NGNXCXOBADYDAK-BLMSOEDDSA-N 1 0 416.385 2.223 20 0 HEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000742367008 1076831013 /nfs/dbraw/zinc/83/10/13/1076831013.db2.gz CMDLMFFNWQJBIU-UHFFFAOYSA-N 1 0 415.357 2.391 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000742342671 1076831165 /nfs/dbraw/zinc/83/11/65/1076831165.db2.gz YVOHOSKRMRZAQD-CYBMUJFWSA-N 1 0 408.973 2.096 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000742344165 1076831257 /nfs/dbraw/zinc/83/12/57/1076831257.db2.gz QLLFBKVRMGEXJM-CYBMUJFWSA-N 1 0 408.973 2.096 20 0 HEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)n(C)c1 ZINC000742397079 1076834098 /nfs/dbraw/zinc/83/40/98/1076834098.db2.gz LLSFXDUIFLCHJN-HXUWFJFHSA-N 1 0 420.579 2.397 20 0 HEADRO CSC1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CCOCC1 ZINC000742378794 1076834982 /nfs/dbraw/zinc/83/49/82/1076834982.db2.gz YWBCRKXTICOBBM-CYBMUJFWSA-N 1 0 407.989 2.206 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000742379920 1076835001 /nfs/dbraw/zinc/83/50/01/1076835001.db2.gz CWGVSUNJUINXSF-UYTSQGDYSA-N 1 0 400.976 2.309 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)c1ccco1 ZINC000742403197 1076838096 /nfs/dbraw/zinc/83/80/96/1076838096.db2.gz SVLOZJRFOKXPMA-KRWDZBQOSA-N 1 0 411.499 2.482 20 0 HEADRO CCCCc1nnc(S[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1N ZINC000742454958 1076838406 /nfs/dbraw/zinc/83/84/06/1076838406.db2.gz RIXBHSGJJPIRDR-WBVHZDCISA-N 1 0 402.568 2.206 20 0 HEADRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)cn2)CC1 ZINC000742509085 1076846308 /nfs/dbraw/zinc/84/63/08/1076846308.db2.gz AUUPRTUCCJSWTE-GOSISDBHSA-N 1 0 417.554 2.239 20 0 HEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000742647873 1076858026 /nfs/dbraw/zinc/85/80/26/1076858026.db2.gz ULTMKZPZJQYIIE-LJQANCHMSA-N 1 0 408.587 2.262 20 0 HEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000742658178 1076861235 /nfs/dbraw/zinc/86/12/35/1076861235.db2.gz KNRDHDXCHYPFHD-FQEVSTJZSA-N 1 0 418.582 2.391 20 0 HEADRO CC(C)=CC(=O)NCc1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000742670780 1076863250 /nfs/dbraw/zinc/86/32/50/1076863250.db2.gz ASMDUMRFIOPBBZ-UHFFFAOYSA-N 1 0 400.567 2.272 20 0 HEADRO C[N@@H+]1CCCN(CCCNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742670864 1076863298 /nfs/dbraw/zinc/86/32/98/1076863298.db2.gz BWOWCURCMHFESY-HXUWFJFHSA-N 1 0 418.582 2.439 20 0 HEADRO CC(C)=CC(=O)NCc1ccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000742655148 1076865007 /nfs/dbraw/zinc/86/50/07/1076865007.db2.gz FJDFWXRQMCKUDC-UHFFFAOYSA-N 1 0 412.578 2.369 20 0 HEADRO CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)o1 ZINC000742690495 1076867118 /nfs/dbraw/zinc/86/71/18/1076867118.db2.gz XBCSYWDDUJHGIB-UHFFFAOYSA-N 1 0 407.511 2.489 20 0 HEADRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C(F)(F)F ZINC000742717543 1076873812 /nfs/dbraw/zinc/87/38/12/1076873812.db2.gz MENCZVGRZGZQTM-KRWDZBQOSA-N 1 0 409.368 2.079 20 0 HEADRO CC[NH+](CC)[C@@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccco1 ZINC000742824547 1076883514 /nfs/dbraw/zinc/88/35/14/1076883514.db2.gz QOVSWHVUEQRQFE-SUMWQHHRSA-N 1 0 402.417 2.352 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C1 ZINC000742866986 1076890043 /nfs/dbraw/zinc/89/00/43/1076890043.db2.gz FGAGAXNJFAGNSG-AWEZNQCLSA-N 1 0 417.959 2.326 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)C1 ZINC000742868138 1076890247 /nfs/dbraw/zinc/89/02/47/1076890247.db2.gz QDKFQMLCZJYOBO-QGZVFWFLSA-N 1 0 420.579 2.038 20 0 HEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000742912145 1076891309 /nfs/dbraw/zinc/89/13/09/1076891309.db2.gz YSZIXCLAHOEQOS-MRXNPFEDSA-N 1 0 408.506 2.254 20 0 HEADRO COC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000742897533 1076893873 /nfs/dbraw/zinc/89/38/73/1076893873.db2.gz NGFSWYSCRJHKSS-IBGZPJMESA-N 1 0 406.527 2.022 20 0 HEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3cnn(-c4ccccc4)n3)cc2)CC1 ZINC000742896755 1076894074 /nfs/dbraw/zinc/89/40/74/1076894074.db2.gz CQCLJBYLSMDYOU-UHFFFAOYSA-N 1 0 406.490 2.146 20 0 HEADRO CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000742898771 1076894439 /nfs/dbraw/zinc/89/44/39/1076894439.db2.gz ZJZFKPDDOYJWNL-SFHVURJKSA-N 1 0 418.538 2.120 20 0 HEADRO C[C@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000742961884 1076908970 /nfs/dbraw/zinc/90/89/70/1076908970.db2.gz YNDLPIWHFUZOJA-AVRDEDQJSA-N 1 0 419.529 2.230 20 0 HEADRO C[C@H](OC(=O)c1cccc2c1OCCO2)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743015357 1076927873 /nfs/dbraw/zinc/92/78/73/1076927873.db2.gz YFHHDFMWGGINAQ-FUHWJXTLSA-N 1 0 410.470 2.394 20 0 HEADRO C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743091550 1076951129 /nfs/dbraw/zinc/95/11/29/1076951129.db2.gz BOORVWBCYKXWCG-RYRKJORJSA-N 1 0 419.522 2.222 20 0 HEADRO COC(=O)N(C)Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000743160053 1076979618 /nfs/dbraw/zinc/97/96/18/1076979618.db2.gz NLTPDCPXINLRLO-UHFFFAOYSA-N 1 0 405.543 2.375 20 0 HEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Nc2ccn(Cc3ccccn3)n2)CC1 ZINC000743166981 1076984695 /nfs/dbraw/zinc/98/46/95/1076984695.db2.gz DYOGRPJLSZFJAQ-KDURUIRLSA-N 1 0 411.554 2.349 20 0 HEADRO CC(C)[C@@H](CNC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1)[NH+]1CCN(C)CC1 ZINC000743171373 1076987401 /nfs/dbraw/zinc/98/74/01/1076987401.db2.gz QPQANZJQOWBTIE-GHTZIAJQSA-N 1 0 403.571 2.305 20 0 HEADRO CN(C(=O)Nc1ccn(CCS(C)(=O)=O)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000743207808 1077000002 /nfs/dbraw/zinc/00/00/02/1077000002.db2.gz SUZZPPAPWAGIML-UHFFFAOYSA-N 1 0 419.551 2.056 20 0 HEADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743210303 1077001478 /nfs/dbraw/zinc/00/14/78/1077001478.db2.gz JUDRYMQHNTUQPX-UHFFFAOYSA-N 1 0 407.540 2.043 20 0 HEADRO C[C@@H](CNC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC000743184862 1077001684 /nfs/dbraw/zinc/00/16/84/1077001684.db2.gz ZEJKWYOOSGYDJN-HNNXBMFYSA-N 1 0 405.524 2.272 20 0 HEADRO C[C@H]1C[C@H](NC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC[N@@H+]1C ZINC000743238604 1077011727 /nfs/dbraw/zinc/01/17/27/1077011727.db2.gz RJDVQOHGGIYXRD-GXTWGEPZSA-N 1 0 403.932 2.368 20 0 HEADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000743320584 1077028349 /nfs/dbraw/zinc/02/83/49/1077028349.db2.gz ARVPYFMMYNBHAX-OAQYLSRUSA-N 1 0 410.518 2.165 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000743387048 1077038896 /nfs/dbraw/zinc/03/88/96/1077038896.db2.gz DCCUQZMQXOXHMV-LXGFQCHUSA-N 1 0 416.566 2.367 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000743401001 1077043119 /nfs/dbraw/zinc/04/31/19/1077043119.db2.gz XAVVHPFEPAEDOY-IFXJQAMLSA-N 1 0 423.355 2.447 20 0 HEADRO CC[N@H+](CC1CCN(c2ccccn2)CC1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000743403355 1077043708 /nfs/dbraw/zinc/04/37/08/1077043708.db2.gz ZMVKPRJOBZSOFU-UHFFFAOYSA-N 1 0 413.522 2.311 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CN2c3cc4c(cc3C(=O)C2=O)OCCO4)C1 ZINC000743374395 1077043790 /nfs/dbraw/zinc/04/37/90/1077043790.db2.gz AZHNSRAJURXSHN-QGZVFWFLSA-N 1 0 407.470 2.151 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](O)c3cc(OC)cc(OC)c3)cc2)CC1 ZINC000743456666 1077053153 /nfs/dbraw/zinc/05/31/53/1077053153.db2.gz JYWKSWCMRNZEPL-QFIPXVFZSA-N 1 0 413.518 2.309 20 0 HEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)C1 ZINC000743434916 1077054616 /nfs/dbraw/zinc/05/46/16/1077054616.db2.gz TYOMGGYHXRPRIC-INIZCTEOSA-N 1 0 406.490 2.206 20 0 HEADRO C[C@H](CNC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000743442124 1077054921 /nfs/dbraw/zinc/05/49/21/1077054921.db2.gz VUSBHVLVJZYSOL-UYAOXDASSA-N 1 0 418.582 2.265 20 0 HEADRO Cc1c(C(=O)NCC[NH2+]C(C)(C)C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000743482994 1077055586 /nfs/dbraw/zinc/05/55/86/1077055586.db2.gz QOOPRDVYGXRUAW-UHFFFAOYSA-N 1 0 408.547 2.276 20 0 HEADRO Cc1c(C(=O)NC[C@@H](C)CC2(C)OCCO2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000743488723 1077060042 /nfs/dbraw/zinc/06/00/42/1077060042.db2.gz HJZJAQQZXPIEFB-HNNXBMFYSA-N 1 0 413.522 2.083 20 0 HEADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@](C)(O)c3ccco3)cc2)CC1 ZINC000743547869 1077067043 /nfs/dbraw/zinc/06/70/43/1077067043.db2.gz KRCNSYAXPJTAML-JOCHJYFZSA-N 1 0 400.523 2.124 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)NCCCC[NH+]3CCOCC3)CC2)cc1 ZINC000743550042 1077067295 /nfs/dbraw/zinc/06/72/95/1077067295.db2.gz VTTQFKMQKZRAIB-UHFFFAOYSA-N 1 0 403.571 2.133 20 0 HEADRO Cn1cc([C@@H](O)CNC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cn1 ZINC000743602334 1077078911 /nfs/dbraw/zinc/07/89/11/1077078911.db2.gz IHKNIZBWEOIANA-QFIPXVFZSA-N 1 0 413.566 2.488 20 0 HEADRO O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000743699263 1077092678 /nfs/dbraw/zinc/09/26/78/1077092678.db2.gz DCWYHFQNCPNOFA-IBGZPJMESA-N 1 0 407.514 2.264 20 0 HEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000743699743 1077093218 /nfs/dbraw/zinc/09/32/18/1077093218.db2.gz MIQAPKSHWWOKMX-CQSZACIVSA-N 1 0 421.954 2.068 20 0 HEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000743699742 1077093326 /nfs/dbraw/zinc/09/33/26/1077093326.db2.gz MIQAPKSHWWOKMX-AWEZNQCLSA-N 1 0 421.954 2.068 20 0 HEADRO Cc1c[nH]c(=O)n1-c1ccc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000743764174 1077117934 /nfs/dbraw/zinc/11/79/34/1077117934.db2.gz AOEPMLHOHIFARH-QHCPKHFHSA-N 1 0 406.486 2.253 20 0 HEADRO O=C(CC[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)NC(=O)NCc1ccccc1 ZINC000743857689 1077144225 /nfs/dbraw/zinc/14/42/25/1077144225.db2.gz KRRYKVLQISOFSB-UHFFFAOYSA-N 1 0 422.485 2.417 20 0 HEADRO C[C@H](CNC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000743861754 1077147077 /nfs/dbraw/zinc/14/70/77/1077147077.db2.gz OSIMWUBVQYNQHX-GOSISDBHSA-N 1 0 422.595 2.267 20 0 HEADRO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 ZINC000743842713 1077148140 /nfs/dbraw/zinc/14/81/40/1077148140.db2.gz GWKXBXOBOKEVGI-OALUTQOASA-N 1 0 405.539 2.381 20 0 HEADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000743846419 1077149622 /nfs/dbraw/zinc/14/96/22/1077149622.db2.gz NEBBRYYGTYCYRB-BVBHFADKSA-N 1 0 405.539 2.069 20 0 HEADRO CC[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)CC1CCN(c2ccccn2)CC1 ZINC000743873262 1077157037 /nfs/dbraw/zinc/15/70/37/1077157037.db2.gz MFKJCQQSUHVYMP-UHFFFAOYSA-N 1 0 416.566 2.422 20 0 HEADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1 ZINC000743876710 1077157648 /nfs/dbraw/zinc/15/76/48/1077157648.db2.gz AHBQJVVZHKEBDQ-UHFFFAOYSA-N 1 0 405.520 2.446 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000743914337 1077192028 /nfs/dbraw/zinc/19/20/28/1077192028.db2.gz NTPVBCDVRFXABK-FCHUYYIVSA-N 1 0 423.513 2.321 20 0 HEADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccc(N3CCSCC3)cc2)CC1 ZINC000743894045 1077205856 /nfs/dbraw/zinc/20/58/56/1077205856.db2.gz IXCBBYCPLRMHDV-UHFFFAOYSA-N 1 0 404.580 2.369 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)[NH+]1CCCCC1 ZINC000743896049 1077208366 /nfs/dbraw/zinc/20/83/66/1077208366.db2.gz ZJRZQOMTGUYBHU-INIZCTEOSA-N 1 0 403.523 2.500 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000743897144 1077209210 /nfs/dbraw/zinc/20/92/10/1077209210.db2.gz NMARJZPIWNEWDU-HOCLYGCPSA-N 1 0 402.495 2.127 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)[NH+]1CCC(C)CC1 ZINC000743899367 1077211908 /nfs/dbraw/zinc/21/19/08/1077211908.db2.gz TVSCKXPXYXDWTL-KRWDZBQOSA-N 1 0 404.580 2.415 20 0 HEADRO O=C(Nc1cccc(C2SCCS2)c1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000743943995 1077238569 /nfs/dbraw/zinc/23/85/69/1077238569.db2.gz HIVMZPRTLYRUHQ-OAHLLOKOSA-N 1 0 421.588 2.284 20 0 HEADRO Cc1ccnc(-c2ccc(NC(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)n1 ZINC000743945255 1077239614 /nfs/dbraw/zinc/23/96/14/1077239614.db2.gz BBBNUPPUXYGNTL-FQEVSTJZSA-N 1 0 423.517 2.150 20 0 HEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1 ZINC000743919353 1077240781 /nfs/dbraw/zinc/24/07/81/1077240781.db2.gz HEXWNVQXZMAOMY-QGZVFWFLSA-N 1 0 402.539 2.231 20 0 HEADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)C1 ZINC000743919510 1077240791 /nfs/dbraw/zinc/24/07/91/1077240791.db2.gz JFRMFMCSIJGKHH-HXUWFJFHSA-N 1 0 411.502 2.349 20 0 HEADRO Cc1cc([C@@](C)(O)CNC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c(C)o1 ZINC000743920433 1077242247 /nfs/dbraw/zinc/24/22/47/1077242247.db2.gz ARLFDGACHXRVSL-QFIPXVFZSA-N 1 0 417.506 2.108 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[C@@H](O)C3)cc2)CC1 ZINC000743921756 1077244021 /nfs/dbraw/zinc/24/40/21/1077244021.db2.gz PPBNKFAMDMTPDD-WIYYLYMNSA-N 1 0 416.566 2.070 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)NCCC(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000743922481 1077245803 /nfs/dbraw/zinc/24/58/03/1077245803.db2.gz RNKIINNTXQVBOE-UHFFFAOYSA-N 1 0 418.538 2.004 20 0 HEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)Cc2ccccc2C1 ZINC000743923922 1077248907 /nfs/dbraw/zinc/24/89/07/1077248907.db2.gz GVOJAJRMISDBRM-UHFFFAOYSA-N 1 0 421.476 2.165 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](SC)C3)c(C)c2)CC1 ZINC000743969638 1077273798 /nfs/dbraw/zinc/27/37/98/1077273798.db2.gz XCRSULFRWCTWRF-FUHWJXTLSA-N 1 0 404.580 2.476 20 0 HEADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ccc1F ZINC000743971987 1077275854 /nfs/dbraw/zinc/27/58/54/1077275854.db2.gz FYGTWRBQCPLIQF-KRWDZBQOSA-N 1 0 413.449 2.284 20 0 HEADRO COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743946404 1077276355 /nfs/dbraw/zinc/27/63/55/1077276355.db2.gz INAUKFKPOCCKFX-OAHLLOKOSA-N 1 0 409.914 2.355 20 0 HEADRO COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743946403 1077276362 /nfs/dbraw/zinc/27/63/62/1077276362.db2.gz INAUKFKPOCCKFX-HNNXBMFYSA-N 1 0 409.914 2.355 20 0 HEADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC(C)C ZINC000743946821 1077276644 /nfs/dbraw/zinc/27/66/44/1077276644.db2.gz LCIVDTXBKLBVJI-IBGZPJMESA-N 1 0 403.523 2.480 20 0 HEADRO O=C(Nc1ccc(OCC2CC2)cc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743946000 1077276687 /nfs/dbraw/zinc/27/66/87/1077276687.db2.gz FZHRVRCVGHARNA-HXUWFJFHSA-N 1 0 401.507 2.174 20 0 HEADRO CC(C)COc1ccccc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743948519 1077277630 /nfs/dbraw/zinc/27/76/30/1077277630.db2.gz ZWEKBZNJCXMLKG-GOSISDBHSA-N 1 0 403.523 2.420 20 0 HEADRO O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743947988 1077278163 /nfs/dbraw/zinc/27/81/63/1077278163.db2.gz BYOMBLXICNSECL-KRWDZBQOSA-N 1 0 413.440 2.490 20 0 HEADRO CC(C)OCc1ccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000743950503 1077279169 /nfs/dbraw/zinc/27/91/69/1077279169.db2.gz 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2.340 20 0 HEADRO CC(C)(C)OC(=O)NCCN(CCO)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000768247366 1080437947 /nfs/dbraw/zinc/43/79/47/1080437947.db2.gz HNKKRMPTLDIELJ-LJQANCHMSA-N 1 0 420.554 2.180 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2cc3sccc3c(O)c2)C1 ZINC000786139786 1080460405 /nfs/dbraw/zinc/46/04/05/1080460405.db2.gz JHXCSVPUWGRGLP-OAHLLOKOSA-N 1 0 406.504 2.237 20 0 HEADRO COc1cccc(/C=C(\C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)n2nnnc2C)c1 ZINC000786188457 1080465300 /nfs/dbraw/zinc/46/53/00/1080465300.db2.gz FWMSOSFWWMAMCQ-XMHGGMMESA-N 1 0 422.493 2.090 20 0 HEADRO C[C@@H]1[C@@H](C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCN1C(=O)OC(C)(C)C ZINC000786167988 1080477118 /nfs/dbraw/zinc/47/71/18/1080477118.db2.gz MIIRLMQTELTABD-AEFFLSMTSA-N 1 0 417.554 2.095 20 0 HEADRO CN1CCC([NH+]2CCC(NC(=O)N3CCC(O)(c4ccccc4)CC3)CC2)CC1 ZINC000768312229 1080482419 /nfs/dbraw/zinc/48/24/19/1080482419.db2.gz VKEUNBIKTDQFJC-UHFFFAOYSA-N 1 0 400.567 2.238 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000786254067 1080493672 /nfs/dbraw/zinc/49/36/72/1080493672.db2.gz NPIZIJNVCQRXEQ-UHFFFAOYSA-N 1 0 404.536 2.474 20 0 HEADRO C[C@H]1C[C@@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000768398290 1080524499 /nfs/dbraw/zinc/52/44/99/1080524499.db2.gz MQFDSXARYRXJBD-PKOBYXMFSA-N 1 0 420.554 2.178 20 0 HEADRO CS(=O)(=O)c1cc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)ccc1F ZINC000786278714 1080525264 /nfs/dbraw/zinc/52/52/64/1080525264.db2.gz GSKBFMXADFNBFE-UHFFFAOYSA-N 1 0 406.479 2.438 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCC(O)(c2ccccc2)CC1 ZINC000768408506 1080529445 /nfs/dbraw/zinc/52/94/45/1080529445.db2.gz OIHWAKHFIAWMGI-NHCUHLMSSA-N 1 0 401.551 2.448 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000786290626 1080535535 /nfs/dbraw/zinc/53/55/35/1080535535.db2.gz AUYFBCGOKXTIKP-YESZJQIVSA-N 1 0 403.523 2.213 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000786266118 1080549739 /nfs/dbraw/zinc/54/97/39/1080549739.db2.gz FIVMIHYVCHTIFX-LJQANCHMSA-N 1 0 403.523 2.357 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000786341369 1080551870 /nfs/dbraw/zinc/55/18/70/1080551870.db2.gz FBJDXGDLXSHIDV-SFHVURJKSA-N 1 0 401.507 2.065 20 0 HEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000786320544 1080561238 /nfs/dbraw/zinc/56/12/38/1080561238.db2.gz DAUFYPDSFXIBLZ-ZIAGYGMSSA-N 1 0 416.444 2.292 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000786325003 1080562437 /nfs/dbraw/zinc/56/24/37/1080562437.db2.gz NSLYQRYZGGRJQN-UHFFFAOYSA-N 1 0 415.465 2.248 20 0 HEADRO CCc1ccc(N2CCN(C(=O)C(=O)NC3CC[NH+](CC(C)C)CC3)CC2)cc1 ZINC000786329026 1080563647 /nfs/dbraw/zinc/56/36/47/1080563647.db2.gz YTJURJHQIKNPQW-UHFFFAOYSA-N 1 0 400.567 2.134 20 0 HEADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC3CC[NH+](CC(C)C)CC3)C2)cc1 ZINC000786335770 1080566963 /nfs/dbraw/zinc/56/69/63/1080566963.db2.gz XJSNZDRIFNFGMF-FQEVSTJZSA-N 1 0 400.567 2.317 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000786384287 1080580749 /nfs/dbraw/zinc/58/07/49/1080580749.db2.gz FXFSMVMQHXEQSV-SFHVURJKSA-N 1 0 403.523 2.215 20 0 HEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)C1 ZINC000786408768 1080589060 /nfs/dbraw/zinc/58/90/60/1080589060.db2.gz HOOUJMZRELEKQJ-QGZVFWFLSA-N 1 0 424.586 2.273 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)C1 ZINC000768500601 1080594804 /nfs/dbraw/zinc/59/48/04/1080594804.db2.gz QQQUXIJNAIEBDH-IDHHARJASA-N 1 0 410.440 2.370 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)C1 ZINC000768500604 1080595467 /nfs/dbraw/zinc/59/54/67/1080595467.db2.gz QQQUXIJNAIEBDH-ZSZQSSIHSA-N 1 0 410.440 2.370 20 0 HEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2nc(-c3cccs3)n(CCC(N)=O)c2=S)C1 ZINC000768503151 1080595665 /nfs/dbraw/zinc/59/56/65/1080595665.db2.gz QLMWFBLAGJEGRL-HUUCEWRRSA-N 1 0 420.608 2.392 20 0 HEADRO CCOC(=O)c1ccc2c(c1)n(CN1CCC[C@H]3C[N@H+](C)CC[C@@H]31)c(=O)n2CC ZINC000768504739 1080596159 /nfs/dbraw/zinc/59/61/59/1080596159.db2.gz VZYVLGWAQCVPAR-ROUUACIJSA-N 1 0 400.523 2.373 20 0 HEADRO Cc1nc(Cn2nnc(C(=O)O[C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2C)no1 ZINC000786484939 1080626985 /nfs/dbraw/zinc/62/69/85/1080626985.db2.gz QPNDVMKCUGHUOG-MAUKXSAKSA-N 1 0 410.478 2.394 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000768576151 1080641021 /nfs/dbraw/zinc/64/10/21/1080641021.db2.gz BQHACKBFHQZLHR-CDHQVMDDSA-N 1 0 403.498 2.063 20 0 HEADRO CS(=O)(=O)c1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1Cl ZINC000768579409 1080644530 /nfs/dbraw/zinc/64/45/30/1080644530.db2.gz IQFUIAVAVVBGAE-IAGOWNOFSA-N 1 0 414.955 2.241 20 0 HEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@@H](O)c3ccccc3)CC2)cc1 ZINC000768636436 1080691789 /nfs/dbraw/zinc/69/17/89/1080691789.db2.gz CJHWJBWIOLAMND-QFIPXVFZSA-N 1 0 412.486 2.006 20 0 HEADRO CC(C)(C)OC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000768648022 1080698024 /nfs/dbraw/zinc/69/80/24/1080698024.db2.gz YMMLQFVCQOMEMI-IBGZPJMESA-N 1 0 405.539 2.244 20 0 HEADRO O=C(COC(=O)c1csc(-c2ncccc2F)n1)NC1CC[NH+](C2CC2)CC1 ZINC000768659891 1080704570 /nfs/dbraw/zinc/70/45/70/1080704570.db2.gz ODAHYNLGPFGWPT-UHFFFAOYSA-N 1 0 404.467 2.244 20 0 HEADRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1 ZINC000768668229 1080707650 /nfs/dbraw/zinc/70/76/50/1080707650.db2.gz HSZNSAGXHGPNDO-FUHWJXTLSA-N 1 0 421.538 2.316 20 0 HEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCc1ccc(Cl)nc1 ZINC000786617626 1080713378 /nfs/dbraw/zinc/71/33/78/1080713378.db2.gz ARBINMYFLFHUEU-MRXNPFEDSA-N 1 0 400.910 2.474 20 0 HEADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCc1ccc(Cl)nc1 ZINC000786617623 1080713483 /nfs/dbraw/zinc/71/34/83/1080713483.db2.gz ARBINMYFLFHUEU-INIZCTEOSA-N 1 0 400.910 2.474 20 0 HEADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000786619947 1080714480 /nfs/dbraw/zinc/71/44/80/1080714480.db2.gz MEBRASDREIJSMI-MRXNPFEDSA-N 1 0 400.910 2.474 20 0 HEADRO CC(C)[C@@H](CNC(=O)C(=O)NCC[C@@](C)(O)c1ccccc1)[NH+]1CCCCCC1 ZINC000786627029 1080721642 /nfs/dbraw/zinc/72/16/42/1080721642.db2.gz LFKKAFGZCMGERP-NFBKMPQASA-N 1 0 403.567 2.417 20 0 HEADRO O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768725524 1080724295 /nfs/dbraw/zinc/72/42/95/1080724295.db2.gz SFVVAEAUEWWJIV-LJQANCHMSA-N 1 0 417.531 2.401 20 0 HEADRO CC(C)(CNC(=O)C(=O)NCc1ccc(Cl)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000786596223 1080732351 /nfs/dbraw/zinc/73/23/51/1080732351.db2.gz SGHQPURTGCZDMB-UHFFFAOYSA-N 1 0 400.910 2.304 20 0 HEADRO O=C(Nc1cnn(-c2ccccc2Cl)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000768717331 1080732675 /nfs/dbraw/zinc/73/26/75/1080732675.db2.gz PWUFNOHLDSESEI-UHFFFAOYSA-N 1 0 401.898 2.455 20 0 HEADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)cn1 ZINC000768718206 1080733047 /nfs/dbraw/zinc/73/30/47/1080733047.db2.gz XKJZAAXYCFRSII-KRWDZBQOSA-N 1 0 419.913 2.107 20 0 HEADRO Cn1ncnc1COc1ccc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000746598010 1080741029 /nfs/dbraw/zinc/74/10/29/1080741029.db2.gz OYUIHRBHZYEQNL-UHFFFAOYSA-N 1 0 401.492 2.257 20 0 HEADRO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000768723871 1080744700 /nfs/dbraw/zinc/74/47/00/1080744700.db2.gz COBFUVHANNBGAT-OAHLLOKOSA-N 1 0 420.256 2.362 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCOC[C@@H]3C[C@H](O)c3ccco3)n2)CC1 ZINC000786699754 1080761496 /nfs/dbraw/zinc/76/14/96/1080761496.db2.gz PYLRPVWDVTWJNR-IRXDYDNUSA-N 1 0 403.483 2.099 20 0 HEADRO CC1(C)CC([N@@H+]2C[C@H](NC(=O)c3cccnc3)[C@@H]3OCCC[C@@H]32)CC(C)(C)N1O ZINC001169996068 1080798774 /nfs/dbraw/zinc/79/87/74/1080798774.db2.gz KLJPMXJIJRRNSU-FHWLQOOXSA-N 1 0 402.539 2.454 20 0 HEADRO CC1(C)CC([NH+]2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)CC(C)(C)N1O ZINC001169996168 1080799158 /nfs/dbraw/zinc/79/91/58/1080799158.db2.gz OBQUUAYLKJBGBY-UHFFFAOYSA-N 1 0 403.527 2.085 20 0 HEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000786758722 1080802661 /nfs/dbraw/zinc/80/26/61/1080802661.db2.gz STSLWOMUFIQFTJ-FCHUYYIVSA-N 1 0 424.545 2.059 20 0 HEADRO COc1ccc(C2N=NC(=S)N2CC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000768843279 1080820864 /nfs/dbraw/zinc/82/08/64/1080820864.db2.gz WIHXIJJKQXQWOX-UHFFFAOYSA-N 1 0 401.536 2.329 20 0 HEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000768847297 1080823203 /nfs/dbraw/zinc/82/32/03/1080823203.db2.gz SAPQIJNHBRSBBJ-HUUCEWRRSA-N 1 0 412.515 2.412 20 0 HEADRO C[C@H](OC(=O)C[C@@H]1c2ccccc2NC1=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746609832 1080828354 /nfs/dbraw/zinc/82/83/54/1080828354.db2.gz KLZMWNGJXMNWST-ILZDJORESA-N 1 0 421.497 2.435 20 0 HEADRO CNS(=O)(=O)c1cc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)ccc1OC ZINC000772688760 1080829413 /nfs/dbraw/zinc/82/94/13/1080829413.db2.gz GZOPFKILSJUMJS-UHFFFAOYSA-N 1 0 422.503 2.265 20 0 HEADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000786803425 1080835024 /nfs/dbraw/zinc/83/50/24/1080835024.db2.gz DPRFJSAJVMXIHD-INIZCTEOSA-N 1 0 402.520 2.154 20 0 HEADRO CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000786817077 1080841971 /nfs/dbraw/zinc/84/19/71/1080841971.db2.gz ZMWVSZKTQAQKLL-JOCHJYFZSA-N 1 0 408.498 2.295 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](O)Cc3cnn(C)c3)cc2Cl)CC1 ZINC000786819993 1080843937 /nfs/dbraw/zinc/84/39/37/1080843937.db2.gz SQWJEDZBDDMHBB-LJQANCHMSA-N 1 0 405.930 2.148 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)cc2)CC1 ZINC000768928898 1080862939 /nfs/dbraw/zinc/86/29/39/1080862939.db2.gz LKSSVLUDVRQOIU-QHCPKHFHSA-N 1 0 421.501 2.135 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(Br)cc(N)c2N)CC1 ZINC001169997804 1080871560 /nfs/dbraw/zinc/87/15/60/1080871560.db2.gz FPSPINRSWRGKTH-UHFFFAOYSA-N 1 0 411.344 2.331 20 0 HEADRO Cc1c(Cl)nc(N(C)C)nc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170065264 1080874650 /nfs/dbraw/zinc/87/46/50/1080874650.db2.gz AJGLWINIDSJTJP-UHFFFAOYSA-N 1 0 420.926 2.207 20 0 HEADRO COCC[S@](=O)Cc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000768991695 1080877800 /nfs/dbraw/zinc/87/78/00/1080877800.db2.gz UPJSVVLKVBIRSN-PCFSMJPMSA-N 1 0 423.579 2.081 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2)CCO1 ZINC000768994685 1080879508 /nfs/dbraw/zinc/87/95/08/1080879508.db2.gz HIZTVMDPIXNEGY-CZAAIQMYSA-N 1 0 402.539 2.411 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@H](O)c3cc(F)cc(Cl)c3)ccn2)CC1 ZINC000786919760 1080883338 /nfs/dbraw/zinc/88/33/38/1080883338.db2.gz ZRZLDTYGHDYZFO-SFHVURJKSA-N 1 0 421.904 2.159 20 0 HEADRO CN(C)S(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000786885569 1080886121 /nfs/dbraw/zinc/88/61/21/1080886121.db2.gz XYFGKTQOGHZFLF-IBGZPJMESA-N 1 0 410.536 2.266 20 0 HEADRO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000786885215 1080886129 /nfs/dbraw/zinc/88/61/29/1080886129.db2.gz WKWVXKNIYGFSLX-OAHLLOKOSA-N 1 0 403.435 2.014 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)CC1 ZINC000769026470 1080889000 /nfs/dbraw/zinc/88/90/00/1080889000.db2.gz WFGQGCYSWDPKPJ-INIZCTEOSA-N 1 0 407.511 2.063 20 0 HEADRO Cn1cc([C@@H]2OCCC[C@H]2C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CC2)cn1 ZINC001109414711 1080895444 /nfs/dbraw/zinc/89/54/44/1080895444.db2.gz HXJHZZYJPWYEOA-MJCUULBUSA-N 1 0 402.539 2.036 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000769000039 1080895716 /nfs/dbraw/zinc/89/57/16/1080895716.db2.gz ALPOUEDIKSKTDS-CHWSQXEVSA-N 1 0 410.400 2.271 20 0 HEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000786974373 1080896740 /nfs/dbraw/zinc/89/67/40/1080896740.db2.gz ZSDGWIRONSEQNN-QGZVFWFLSA-N 1 0 404.555 2.467 20 0 HEADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC(=O)C3CC3)c(OC)c2)C1 ZINC000769005685 1080896916 /nfs/dbraw/zinc/89/69/16/1080896916.db2.gz NBDPSCHBSIOELC-QAPCUYQASA-N 1 0 404.507 2.374 20 0 HEADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000786943264 1080899515 /nfs/dbraw/zinc/89/95/15/1080899515.db2.gz JCMDTXPZVIDVJE-OAHLLOKOSA-N 1 0 414.333 2.369 20 0 HEADRO C[N@@H+]1CCN(CCCNC(=O)c2ncc(Br)cn2)[C@@H](c2ccccc2)C1 ZINC000786994864 1080906581 /nfs/dbraw/zinc/90/65/81/1080906581.db2.gz IWKJLDYOVQKXPB-QGZVFWFLSA-N 1 0 418.339 2.348 20 0 HEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000769099526 1080908770 /nfs/dbraw/zinc/90/87/70/1080908770.db2.gz CPJJDUOQZNNPRZ-UHFFFAOYSA-N 1 0 400.497 2.426 20 0 HEADRO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC[N@H+](C)Cc1ccc(F)cc1)C2=O ZINC000769064816 1080919979 /nfs/dbraw/zinc/91/99/79/1080919979.db2.gz NAZPGCQVYLPAPH-BTYIYWSLSA-N 1 0 405.470 2.301 20 0 HEADRO [NH3+]CCN(c1ncc(-c2cccnc2)cn1)S(=O)(=O)c1cccc2cnccc21 ZINC001170066342 1080932914 /nfs/dbraw/zinc/93/29/14/1080932914.db2.gz MNEZQGLIDDXFRM-UHFFFAOYSA-N 1 0 406.471 2.241 20 0 HEADRO CN(CC1CC1)c1cncc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)n1 ZINC001170066337 1080933006 /nfs/dbraw/zinc/93/30/06/1080933006.db2.gz MJIHTMRIWRCWPO-UHFFFAOYSA-N 1 0 412.519 2.025 20 0 HEADRO O=C(NCCc1ccc(Cl)nc1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769143342 1080959132 /nfs/dbraw/zinc/95/91/32/1080959132.db2.gz MAZYPPQJYWBXQL-MOPGFXCFSA-N 1 0 402.926 2.460 20 0 HEADRO CN(C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000769152680 1080971061 /nfs/dbraw/zinc/97/10/61/1080971061.db2.gz GBDVIASSNVAUTC-OALUTQOASA-N 1 0 424.586 2.405 20 0 HEADRO CN(C(=O)OC(C)(C)C)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000769153744 1080972286 /nfs/dbraw/zinc/97/22/86/1080972286.db2.gz JYZZLESIGGHKPU-RTBURBONSA-N 1 0 424.586 2.405 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000769153709 1080972423 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CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000745781403 1078640285 /nfs/dbraw/zinc/64/02/85/1078640285.db2.gz NXPRLNHRYGIFST-QZTJIDSGSA-N 1 0 417.554 2.277 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000745780765 1078640896 /nfs/dbraw/zinc/64/08/96/1078640896.db2.gz VEMNDDNHCIMUHU-OALUTQOASA-N 1 0 415.582 2.447 20 0 HEADRO O=C(Nc1ccc(O)c(C(=O)NCCC[NH+]2CCC(O)CC2)c1)OCC(F)(F)F ZINC000769880608 1078641175 /nfs/dbraw/zinc/64/11/75/1078641175.db2.gz ZPGJAYISZBTOBW-UHFFFAOYSA-N 1 0 419.400 2.080 20 0 HEADRO Cn1cc(S(=O)(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)nc1Cl ZINC000769891390 1078645314 /nfs/dbraw/zinc/64/53/14/1078645314.db2.gz CEKMRVAIOHKIMG-CQSZACIVSA-N 1 0 410.927 2.340 20 0 HEADRO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769943865 1078647707 /nfs/dbraw/zinc/64/77/07/1078647707.db2.gz SNTYWEXNHHVBJZ-MRXNPFEDSA-N 1 0 424.586 2.068 20 0 HEADRO 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O=C(c1nccn2c(Br)cnc12)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000769932063 1078663256 /nfs/dbraw/zinc/66/32/56/1078663256.db2.gz OIJOSFNJQNBOLG-UHFFFAOYSA-N 1 0 422.327 2.209 20 0 HEADRO CN(C)c1ccc(N2CCC(NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)CC2)cc1 ZINC000745869115 1078668638 /nfs/dbraw/zinc/66/86/38/1078668638.db2.gz HQFCZYBPJZCBTB-JOCHJYFZSA-N 1 0 417.598 2.474 20 0 HEADRO C[C@@H](CNC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1)C[NH+]1CCN(C)CC1 ZINC000745861209 1078676545 /nfs/dbraw/zinc/67/65/45/1078676545.db2.gz AMYLJNDSNKAKCJ-LAUBAEHRSA-N 1 0 406.546 2.164 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC000745863534 1078677609 /nfs/dbraw/zinc/67/76/09/1078677609.db2.gz WPFORRFVQCVUFL-HNNXBMFYSA-N 1 0 416.492 2.085 20 0 HEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000745861756 1078677676 /nfs/dbraw/zinc/67/76/76/1078677676.db2.gz FFQUGYHGZWQKFZ-FPOVZHCZSA-N 1 0 415.582 2.063 20 0 HEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000745861755 1078677748 /nfs/dbraw/zinc/67/77/48/1078677748.db2.gz FFQUGYHGZWQKFZ-CTNGQTDRSA-N 1 0 415.582 2.063 20 0 HEADRO O=C(NCc1cccnc1-n1ccnc1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769995042 1078678042 /nfs/dbraw/zinc/67/80/42/1078678042.db2.gz WABZISQPWLWNRU-UHFFFAOYSA-N 1 0 418.501 2.161 20 0 HEADRO COc1cc(F)cc(CNC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1 ZINC000770058035 1078686586 /nfs/dbraw/zinc/68/65/86/1078686586.db2.gz QBBPQIPQHYKZMU-UHFFFAOYSA-N 1 0 414.481 2.231 20 0 HEADRO Cc1cc([C@@](C)(O)CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(C)o1 ZINC000770017841 1078690098 /nfs/dbraw/zinc/69/00/98/1078690098.db2.gz YKZILIHWBCTJJX-QHCPKHFHSA-N 1 0 413.518 2.497 20 0 HEADRO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000770019528 1078690110 /nfs/dbraw/zinc/69/01/10/1078690110.db2.gz TZTSAWQEQYEAIX-APWZRJJASA-N 1 0 403.502 2.276 20 0 HEADRO CNc1ncc(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)s1 ZINC000770037882 1078699657 /nfs/dbraw/zinc/69/96/57/1078699657.db2.gz 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2.497 20 0 HEADRO C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000770053328 1078706731 /nfs/dbraw/zinc/70/67/31/1078706731.db2.gz ZHBZHZHENTYAOU-LYAKXMMSSA-N 1 0 420.513 2.188 20 0 HEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)/C=C/c1ccc(I)o1 ZINC000798268363 1078713415 /nfs/dbraw/zinc/71/34/15/1078713415.db2.gz UZKKRHWXGDIYQX-WMADIVHISA-N 1 0 406.264 2.106 20 0 HEADRO Cc1cccnc1C[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013124 1078735899 /nfs/dbraw/zinc/73/58/99/1078735899.db2.gz CJUAPHRGKREVIU-WBVHZDCISA-N 1 0 406.552 2.391 20 0 HEADRO CO[C@]1(C)C[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1(C)C ZINC000746044464 1078753925 /nfs/dbraw/zinc/75/39/25/1078753925.db2.gz OYSDAAWEAUMWAU-PGRDOPGGSA-N 1 0 402.539 2.087 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCC(=O)OC(C)(C)C)cc2)CC1 ZINC000746045575 1078754930 /nfs/dbraw/zinc/75/49/30/1078754930.db2.gz PMVWADPXKBJBSH-UHFFFAOYSA-N 1 0 418.538 2.005 20 0 HEADRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746049465 1078758187 /nfs/dbraw/zinc/75/81/87/1078758187.db2.gz QARQQWGFDIPBAI-VBKZILBWSA-N 1 0 408.520 2.338 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000770171674 1078766775 /nfs/dbraw/zinc/76/67/75/1078766775.db2.gz CQEDKTGZDBMLAQ-GWQNQTGSSA-N 1 0 412.578 2.081 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C\c1ccc(I)o1 ZINC000770173664 1078769210 /nfs/dbraw/zinc/76/92/10/1078769210.db2.gz IDCYWJYPXSYUCX-RYWCDNDXSA-N 1 0 417.291 2.040 20 0 HEADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000770175542 1078770461 /nfs/dbraw/zinc/77/04/61/1078770461.db2.gz XKMYHRKFEMWSDE-QUCCMNQESA-N 1 0 404.555 2.080 20 0 HEADRO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000770235852 1078779395 /nfs/dbraw/zinc/77/93/95/1078779395.db2.gz SBLRMHOQDJQLLK-QFBILLFUSA-N 1 0 401.511 2.338 20 0 HEADRO CC[NH+](CC)[C@H](C(=O)NC1CCN(CC(N)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000746112856 1078791983 /nfs/dbraw/zinc/79/19/83/1078791983.db2.gz VLXXSAFUPKGSSE-SFHVURJKSA-N 1 0 414.472 2.154 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000770274695 1078802607 /nfs/dbraw/zinc/80/26/07/1078802607.db2.gz QMMRFNQLKHFRKX-DOTOQJQBSA-N 1 0 405.470 2.065 20 0 HEADRO C[NH+](C)Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)c1 ZINC000746122155 1078797263 /nfs/dbraw/zinc/79/72/63/1078797263.db2.gz RKMXBZFQAJVGOU-UHFFFAOYSA-N 1 0 418.450 2.497 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000770280097 1078806109 /nfs/dbraw/zinc/80/61/09/1078806109.db2.gz NJXXKCULVAOMOW-UHFFFAOYSA-N 1 0 410.559 2.236 20 0 HEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000770281295 1078806352 /nfs/dbraw/zinc/80/63/52/1078806352.db2.gz BPUCTQVLQTUFNZ-LJQANCHMSA-N 1 0 423.579 2.391 20 0 HEADRO COCC(=O)N1CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)CC1 ZINC001687509341 1078811912 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20 0 HEADRO CCOC(=O)[C@@H]1N=CO[C@@H]1c1c(Cl)cc(Cl)nc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168816081 1079036889 /nfs/dbraw/zinc/03/68/89/1079036889.db2.gz MSNLNWSPUIVVQI-AMKSKSKJSA-N 1 0 424.288 2.421 20 0 HEADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000770849227 1079037552 /nfs/dbraw/zinc/03/75/52/1079037552.db2.gz HFDLEUPJRONOHS-GGAORHGYSA-N 1 0 411.546 2.190 20 0 HEADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2Cn3nnc(-c4cccnc4)c3CO2)CN1C(=O)OC(C)(C)C ZINC001168807899 1079044057 /nfs/dbraw/zinc/04/40/57/1079044057.db2.gz PLQZPIWYSJPHGM-DJIMGWMZSA-N 1 0 414.510 2.226 20 0 HEADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc(N2CCOC2=O)cc1 ZINC001168801220 1079041647 /nfs/dbraw/zinc/04/16/47/1079041647.db2.gz NLYLBWCOBWELED-CQSZACIVSA-N 1 0 412.508 2.050 20 0 HEADRO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCOCC(F)(F)F)cn1 ZINC001109741193 1079041933 /nfs/dbraw/zinc/04/19/33/1079041933.db2.gz JJAAXVUFXMXQLT-ALYAQQCSSA-N 1 0 400.445 2.214 20 0 HEADRO 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 1079051340 /nfs/dbraw/zinc/05/13/40/1079051340.db2.gz AUMRZHMPZMAIGK-LTFXXXRZSA-N 1 0 423.554 2.418 20 0 HEADRO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)NC[C@@H](C)[NH+]3CCCCC3)CC2)c1 ZINC000770834430 1079052194 /nfs/dbraw/zinc/05/21/94/1079052194.db2.gz TUYAKVNCLREISF-HXUWFJFHSA-N 1 0 416.566 2.410 20 0 HEADRO 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 1079053532 /nfs/dbraw/zinc/05/35/32/1079053532.db2.gz IRPLTXGHPZWCBK-ZSXDVEMLSA-N 1 0 423.554 2.275 20 0 HEADRO 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 1079056880 /nfs/dbraw/zinc/05/68/80/1079056880.db2.gz JLCJPQNYGSWSKW-BREDGVMVSA-N 1 0 407.555 2.249 20 0 HEADRO CN(c1ccccc1)S(=O)(=O)c1cccnc1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001168878710 1079066673 /nfs/dbraw/zinc/06/66/73/1079066673.db2.gz ZBQWQKOJGLZOJY-UHFFFAOYSA-N 1 0 421.486 2.008 20 0 HEADRO C[C@@H]1C[C@@H](N(C2CC[NH2+]CC2)S(=O)(=O)c2cccnc2)CN1C(=O)OC(C)(C)C ZINC001168878250 1079066685 /nfs/dbraw/zinc/06/66/85/1079066685.db2.gz BVAXLYLVFQUXMW-NVXWUHKLSA-N 1 0 424.567 2.222 20 0 HEADRO 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 1079058925 /nfs/dbraw/zinc/05/89/25/1079058925.db2.gz WGZAMMRVRNLYDF-FKICDVMDSA-N 1 0 421.582 2.495 20 0 HEADRO 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 1079061656 /nfs/dbraw/zinc/06/16/56/1079061656.db2.gz MUEJTHWTZNGWMO-CBNQQXHVSA-N 1 0 407.555 2.486 20 0 HEADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000766521275 1079067142 /nfs/dbraw/zinc/06/71/42/1079067142.db2.gz HEODFUQFFCTIOF-QZTJIDSGSA-N 1 0 405.506 2.467 20 0 HEADRO Cc1cc(Cl)ncc1NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000766513076 1079062048 /nfs/dbraw/zinc/06/20/48/1079062048.db2.gz BCWLWHMGCKGLSG-UHFFFAOYSA-N 1 0 408.930 2.381 20 0 HEADRO COc1ccc(CN2CC[C@@H](N(Cc3ccccc3)C3(C[NH3+])COC3)CC2=O)cc1 ZINC001168890660 1079062591 /nfs/dbraw/zinc/06/25/91/1079062591.db2.gz CFDZRAKDXFLBKI-OAQYLSRUSA-N 1 0 409.530 2.416 20 0 HEADRO COc1ccc(CN2CC[C@H](N(Cc3ccccc3)C3(C[NH3+])COC3)CC2=O)cc1 ZINC001168890659 1079062665 /nfs/dbraw/zinc/06/26/65/1079062665.db2.gz CFDZRAKDXFLBKI-NRFANRHFSA-N 1 0 409.530 2.416 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)COc3ccc(OC)cc3)CC2=O)cc1 ZINC001168892292 1079063053 /nfs/dbraw/zinc/06/30/53/1079063053.db2.gz LNNXZHWEIIXVQX-MOPGFXCFSA-N 1 0 414.502 2.224 20 0 HEADRO C[NH+]1CCC(NC(=O)c2ccc(N[C@@H]3CCCN(C(=O)c4ccccc4)C3)nn2)CC1 ZINC001168895113 1079063896 /nfs/dbraw/zinc/06/38/96/1079063896.db2.gz BBMHWJSSKBLLCG-LJQANCHMSA-N 1 0 422.533 2.017 20 0 HEADRO CC(C)[N@H+](C[C@H](O)COc1ccc(CC(N)=O)cc1)C[C@H]1COC2(CCCCC2)O1 ZINC001168873245 1079065047 /nfs/dbraw/zinc/06/50/47/1079065047.db2.gz MJPYWDWSRKPZEY-FPOVZHCZSA-N 1 0 420.550 2.240 20 0 HEADRO [NH3+]Cc1cccc(-c2nnn(-c3ncc(C(=O)Nc4ccccn4)cc3Cl)n2)c1 ZINC001168880614 1079067956 /nfs/dbraw/zinc/06/79/56/1079067956.db2.gz VTTGDTUSMWLVMQ-UHFFFAOYSA-N 1 0 406.837 2.484 20 0 HEADRO [NH3+]Cc1cccc(-c2nnn(-c3nc(Br)cn4c(Cl)cnc34)n2)c1 ZINC001168884203 1079068411 /nfs/dbraw/zinc/06/84/11/1079068411.db2.gz SXDGZAUPHMKTQI-UHFFFAOYSA-N 1 0 405.647 2.247 20 0 HEADRO O=c1c2ccccc2ncn1CCc1noc([C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000770899630 1079069925 /nfs/dbraw/zinc/06/99/25/1079069925.db2.gz WYIALFQKEGDIHP-QHCPKHFHSA-N 1 0 417.469 2.116 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH2+]CCNC(=O)c3ccc(Cl)cn3)CC2=O)cc1 ZINC001168904303 1079071378 /nfs/dbraw/zinc/07/13/78/1079071378.db2.gz KNVQCZCSWFJEPT-QGZVFWFLSA-N 1 0 416.909 2.254 20 0 HEADRO COc1ccc(CN2CC[C@@H](N(c3ccccc3C[NH3+])S(C)(=O)=O)CC2=O)cc1 ZINC001168910693 1079073136 /nfs/dbraw/zinc/07/31/36/1079073136.db2.gz ZACYGEUROALDKN-GOSISDBHSA-N 1 0 417.531 2.111 20 0 HEADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cccc(S(=O)(=O)NC4CCCC4)c3)C[C@]2(C)C1 ZINC001168931938 1079077683 /nfs/dbraw/zinc/07/76/83/1079077683.db2.gz SMKYEQQQCYCXCT-SFTDATJTSA-N 1 0 405.564 2.321 20 0 HEADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3n[nH]c4c3CN(C(=O)OC(C)(C)C)CC4)C[C@]2(C)C1 ZINC001168932389 1079077735 /nfs/dbraw/zinc/07/77/35/1079077735.db2.gz UGVWPZRARNZKQD-SFTDATJTSA-N 1 0 403.527 2.117 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCC(NC(=O)C(F)(F)F)CC3)CC2=O)cc1 ZINC001168944064 1079082378 /nfs/dbraw/zinc/08/23/78/1079082378.db2.gz HHFMZCSQYJSCGY-MRXNPFEDSA-N 1 0 413.440 2.329 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(c4cccc(OC)n4)CC3)CC2=O)cc1 ZINC001168950713 1079085294 /nfs/dbraw/zinc/08/52/94/1079085294.db2.gz ZCSJMZLDCYNIPM-IBGZPJMESA-N 1 0 410.518 2.412 20 0 HEADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(C(=O)c4ccc(O)cc4)CC3)CC2=O)cc1 ZINC001168953649 1079086193 /nfs/dbraw/zinc/08/61/93/1079086193.db2.gz KOJGMQRTLPTLSZ-FQEVSTJZSA-N 1 0 423.513 2.350 20 0 HEADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccn(CCCNC(=O)OC(C)(C)C)n3)C[C@]2(C)C1 ZINC001168929053 1079087733 /nfs/dbraw/zinc/08/77/33/1079087733.db2.gz FJRCNKNYGHTDFQ-SFTDATJTSA-N 1 0 405.543 2.212 20 0 HEADRO COc1ccc(CN2CC[C@@H](N3Cc4nccn4C[C@H](C[NH+](C)C)C3)CC2=O)cc1 ZINC001168929066 1079087753 /nfs/dbraw/zinc/08/77/53/1079087753.db2.gz HIWQLURXKGRWRX-VQTJNVASSA-N 1 0 411.550 2.076 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(c4ccc(OC)cn4)CC3)CC2=O)cc1 ZINC001168956517 1079090860 /nfs/dbraw/zinc/09/08/60/1079090860.db2.gz UVCSFFYLEAJQHS-LJQANCHMSA-N 1 0 410.518 2.412 20 0 HEADRO COC(=O)c1cn([C@H]2CC[N@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)nn1 ZINC001169013736 1079099843 /nfs/dbraw/zinc/09/98/43/1079099843.db2.gz JGAYVAJEXBDEKG-HOTGVXAUSA-N 1 0 407.515 2.349 20 0 HEADRO Cc1nc(NC2CC2)sc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000771010608 1079103109 /nfs/dbraw/zinc/10/31/09/1079103109.db2.gz ATXVWGRGIRJTLP-UHFFFAOYSA-N 1 0 401.536 2.247 20 0 HEADRO CCOC(=O)[C@H](Nc1cccc2c1CC[C@H]2[NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169042685 1079109214 /nfs/dbraw/zinc/10/92/14/1079109214.db2.gz ISVZULGFCXAZCA-RLLQIKCJSA-N 1 0 418.515 2.113 20 0 HEADRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC001169043064 1079109243 /nfs/dbraw/zinc/10/92/43/1079109243.db2.gz CTBZSNJATSXFMY-VQIMIIECSA-N 1 0 404.511 2.360 20 0 HEADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[NH+](CCCCCO)CC1 ZINC001169065133 1079120612 /nfs/dbraw/zinc/12/06/12/1079120612.db2.gz PPIYYESXPMNGSI-CQSZACIVSA-N 1 0 416.349 2.419 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC[C@@H]21 ZINC000766581898 1079132237 /nfs/dbraw/zinc/13/22/37/1079132237.db2.gz GRMGAEUCPZXSGT-KSSFIOAISA-N 1 0 406.477 2.446 20 0 HEADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cc(=O)[nH]c(C3CCC3)n2)[C@H](c2cnn(C)c2)C1 ZINC001169084515 1079133477 /nfs/dbraw/zinc/13/34/77/1079133477.db2.gz NGWQNICYDBSCHM-OALUTQOASA-N 1 0 412.538 2.314 20 0 HEADRO CCCN(CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)C(=O)OC(C)(C)C ZINC000804307946 1079135721 /nfs/dbraw/zinc/13/57/21/1079135721.db2.gz LWHWYYPYDAAWOE-MSOLQXFVSA-N 1 0 424.586 2.223 20 0 HEADRO CN1CC[NH+](CC2(C)CCN(Cc3ccc(OCC(F)(F)F)nn3)CC2)CC1 ZINC001169090546 1079138715 /nfs/dbraw/zinc/13/87/15/1079138715.db2.gz HUDWXWYZKVFPQH-UHFFFAOYSA-N 1 0 401.477 2.267 20 0 HEADRO COc1ccc(CN2CCO[C@H]3CN([C@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC[C@H]3C2=O)cc1 ZINC001169133194 1079152147 /nfs/dbraw/zinc/15/21/47/1079152147.db2.gz CREHFQJLFYWVGW-BEHZJIDTSA-N 1 0 413.562 2.370 20 0 HEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771105808 1079154678 /nfs/dbraw/zinc/15/46/78/1079154678.db2.gz ZGMZKFRLKNUEHF-RNODOKPDSA-N 1 0 424.904 2.237 20 0 HEADRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001169151051 1079167397 /nfs/dbraw/zinc/16/73/97/1079167397.db2.gz ZGCYFUQDOVYALO-ROUUACIJSA-N 1 0 419.522 2.142 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccccc1Cl ZINC001169160352 1079170037 /nfs/dbraw/zinc/17/00/37/1079170037.db2.gz CYHAILCJHFMUJF-AWEZNQCLSA-N 1 0 403.914 2.436 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc(Cl)cc1 ZINC001169162123 1079171243 /nfs/dbraw/zinc/17/12/43/1079171243.db2.gz SGNPIRJDFJTMMT-AWEZNQCLSA-N 1 0 403.914 2.436 20 0 HEADRO Cc1ccc(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1F ZINC001169165051 1079173473 /nfs/dbraw/zinc/17/34/73/1079173473.db2.gz YUQLJJLYTVIJCU-HNNXBMFYSA-N 1 0 401.486 2.230 20 0 HEADRO Cc1nc2cc(C[NH2+][C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)ccc2o1 ZINC001169168099 1079176444 /nfs/dbraw/zinc/17/64/44/1079176444.db2.gz MJKXZMIGCBZJKC-CQSZACIVSA-N 1 0 424.505 2.232 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC(F)(F)C(C)(C)C1 ZINC001169190631 1079178419 /nfs/dbraw/zinc/17/84/19/1079178419.db2.gz IHGNBNVHTNNUPA-AWEZNQCLSA-N 1 0 411.497 2.360 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCc2sccc21 ZINC001169196394 1079182280 /nfs/dbraw/zinc/18/22/80/1079182280.db2.gz NZYUFDUGLLGGDE-HIFRSBDPSA-N 1 0 401.536 2.331 20 0 HEADRO COc1cccc(C[N@H+](C)[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169202307 1079184171 /nfs/dbraw/zinc/18/41/71/1079184171.db2.gz OUFVYXIXLIWHQV-MRXNPFEDSA-N 1 0 413.522 2.133 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc2ccccc2n1 ZINC001169169490 1079185532 /nfs/dbraw/zinc/18/55/32/1079185532.db2.gz QFNJNTZZBXPTBC-INIZCTEOSA-N 1 0 420.517 2.331 20 0 HEADRO CCCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170022440 1079186328 /nfs/dbraw/zinc/18/63/28/1079186328.db2.gz PMLPKXBHFUGYFT-OAGGEKHMSA-N 1 0 401.573 2.038 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1C[C@H]1c1ccc(F)cc1 ZINC001169176782 1079190062 /nfs/dbraw/zinc/19/00/62/1079190062.db2.gz PQLDWJSALKEBNL-JLSDUUJJSA-N 1 0 413.497 2.277 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001169176649 1079190113 /nfs/dbraw/zinc/19/01/13/1079190113.db2.gz OQDOXNPZFJVBPU-KSSFIOAISA-N 1 0 413.497 2.409 20 0 HEADRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc(Cl)nc(CS(C)(=O)=O)n1 ZINC001169174938 1079189344 /nfs/dbraw/zinc/18/93/44/1079189344.db2.gz KDVAASAVJGVYMQ-UHFFFAOYSA-N 1 0 408.911 2.437 20 0 HEADRO CCOC(=O)[C@H]1NC(=O)c2cc(-n3c(C)c(CC[NH3+])c4cc(OC)ccc43)ccc2O1 ZINC001169179988 1079193050 /nfs/dbraw/zinc/19/30/50/1079193050.db2.gz VYURMTXLZURBEU-QFIPXVFZSA-N 1 0 423.469 2.460 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccc2ccncc21 ZINC001169181226 1079193845 /nfs/dbraw/zinc/19/38/45/1079193845.db2.gz MTICTZBCEUXQDI-INIZCTEOSA-N 1 0 420.517 2.331 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]1c1nccs1 ZINC001169207649 1079195662 /nfs/dbraw/zinc/19/56/62/1079195662.db2.gz LEXKFUQPSHDLPC-GJZGRUSLSA-N 1 0 416.551 2.286 20 0 HEADRO Cc1ccc(CC[N@@H+](C)[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC001169208909 1079195953 /nfs/dbraw/zinc/19/59/53/1079195953.db2.gz RJOAKAYQNWDGDH-SFHVURJKSA-N 1 0 411.550 2.475 20 0 HEADRO Cc1cc2c(c(F)c1)N(CN1CCN(C3CC[NH+](C(C)C)CC3)CC1)C(=O)C2=O ZINC000771173819 1079208538 /nfs/dbraw/zinc/20/85/38/1079208538.db2.gz HXXGKNAEEJLKFS-UHFFFAOYSA-N 1 0 402.514 2.111 20 0 HEADRO C[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CCO1 ZINC000771237881 1079221316 /nfs/dbraw/zinc/22/13/16/1079221316.db2.gz HFBXMHNCYVPMAW-HOTGVXAUSA-N 1 0 420.529 2.226 20 0 HEADRO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000766648126 1079216679 /nfs/dbraw/zinc/21/66/79/1079216679.db2.gz HHTXVFOKRYZKBX-QRWLVFNGSA-N 1 0 417.481 2.333 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170023436 1079218839 /nfs/dbraw/zinc/21/88/39/1079218839.db2.gz XJGHQERUERRKFR-VQHPVUNQSA-N 1 0 413.584 2.038 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCc4ccc(F)cc4C3)cc2)CC1 ZINC000771241158 1079223314 /nfs/dbraw/zinc/22/33/14/1079223314.db2.gz ASMQGRJDHHRYEY-UHFFFAOYSA-N 1 0 410.493 2.491 20 0 HEADRO CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H](C)[C@H]1OC ZINC000771243799 1079224599 /nfs/dbraw/zinc/22/45/99/1079224599.db2.gz MUBNFPGACSYPJL-NSISKUIASA-N 1 0 416.566 2.333 20 0 HEADRO CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H](C)[C@H]1OC ZINC000771243800 1079224647 /nfs/dbraw/zinc/22/46/47/1079224647.db2.gz MUBNFPGACSYPJL-PWIZWCRZSA-N 1 0 416.566 2.333 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2I)CO1 ZINC001169320129 1079226486 /nfs/dbraw/zinc/22/64/86/1079226486.db2.gz ITUOIZDTTALUPA-UGFHNGPFSA-N 1 0 419.259 2.025 20 0 HEADRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1NCC1CCC2(CCC(=O)N2)CC1 ZINC001169294000 1079227022 /nfs/dbraw/zinc/22/70/22/1079227022.db2.gz QBNQMJBFZBVSEJ-PBCYYAKHSA-N 1 0 400.523 2.117 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000771219115 1079233519 /nfs/dbraw/zinc/23/35/19/1079233519.db2.gz GKTGNUAGRLZFAJ-IRXDYDNUSA-N 1 0 402.539 2.485 20 0 HEADRO Cn1ncc(NC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1C1CC1 ZINC000771220949 1079233656 /nfs/dbraw/zinc/23/36/56/1079233656.db2.gz XIKNAJIRGJODKC-SFHVURJKSA-N 1 0 410.522 2.317 20 0 HEADRO Cn1ncc(NC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1C1CC1 ZINC000771220948 1079233754 /nfs/dbraw/zinc/23/37/54/1079233754.db2.gz XIKNAJIRGJODKC-GOSISDBHSA-N 1 0 410.522 2.317 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C(=O)OC)c3)CC2)CO1 ZINC001169349621 1079233944 /nfs/dbraw/zinc/23/39/44/1079233944.db2.gz HBVWCEXFDZYGHY-UXHICEINSA-N 1 0 404.507 2.138 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)CO1 ZINC001169376918 1079246679 /nfs/dbraw/zinc/24/66/79/1079246679.db2.gz ZISNRHRGRHIQJM-IRXDYDNUSA-N 1 0 412.527 2.199 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)CO1 ZINC001169383850 1079254701 /nfs/dbraw/zinc/25/47/01/1079254701.db2.gz CBEMNUASRRUONU-XAPVIXHLSA-N 1 0 404.507 2.332 20 0 HEADRO C[C@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1(c2ccccc2)CCCC1 ZINC001169384223 1079255737 /nfs/dbraw/zinc/25/57/37/1079255737.db2.gz YZLQTJSGYSVZLB-KRWDZBQOSA-N 1 0 407.580 2.017 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)CO1 ZINC001169390483 1079260025 /nfs/dbraw/zinc/26/00/25/1079260025.db2.gz VQHVVPIQEJVUJS-ZVVDCOBXSA-N 1 0 404.507 2.442 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](CCSC)C(=O)N(C)OC)c2)CC1 ZINC000771272570 1079260832 /nfs/dbraw/zinc/26/08/32/1079260832.db2.gz MQFKUEWILAMDGP-SFHVURJKSA-N 1 0 423.583 2.092 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)NCC3N=NC(=S)N3C3CC3)c2)CC1 ZINC000771277099 1079265101 /nfs/dbraw/zinc/26/51/01/1079265101.db2.gz KGJQBYOYTOOVAD-UHFFFAOYSA-N 1 0 401.540 2.365 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)CO1 ZINC001169392725 1079263327 /nfs/dbraw/zinc/26/33/27/1079263327.db2.gz QHFJZXAKGPCMSH-CNNODRBYSA-N 1 0 401.507 2.007 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)CO1 ZINC001169397991 1079270337 /nfs/dbraw/zinc/27/03/37/1079270337.db2.gz PERHHKPWPIDREL-DXIQSLLYSA-N 1 0 401.507 2.149 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C2)COCCN(Cc2ccccn2)C3)CO1 ZINC001169398675 1079271834 /nfs/dbraw/zinc/27/18/34/1079271834.db2.gz SSMXSXXQTVBLQB-QNWVGRARSA-N 1 0 417.550 2.107 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)CO1 ZINC001169398668 1079271973 /nfs/dbraw/zinc/27/19/73/1079271973.db2.gz SSCKHFQNYZOJRF-AFDCHOCNSA-N 1 0 404.507 2.331 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CO1 ZINC001169418895 1079278538 /nfs/dbraw/zinc/27/85/38/1079278538.db2.gz KJHHCZIUMZJMSH-RDBSUJKOSA-N 1 0 403.401 2.449 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC001169438990 1079289605 /nfs/dbraw/zinc/28/96/05/1079289605.db2.gz ZOWSMORMAKKMCY-BBWFWOEESA-N 1 0 413.559 2.412 20 0 HEADRO COc1ccc([C@@H](CNc2ccc(C(C)=O)cc2S(N)(=O)=O)[NH+](C)C)cc1OC ZINC000804324711 1079292021 /nfs/dbraw/zinc/29/20/21/1079292021.db2.gz JBGXRQZWXCOPDP-QGZVFWFLSA-N 1 0 421.519 2.269 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C1(Cc2ccccc2OC)CCS(=O)(=O)CC1 ZINC001169458510 1079305571 /nfs/dbraw/zinc/30/55/71/1079305571.db2.gz ISIFRACHOLUTHG-KRWDZBQOSA-N 1 0 410.580 2.422 20 0 HEADRO O=C(NC1CCC(O)(c2cccnc2)CC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000771350656 1079301053 /nfs/dbraw/zinc/30/10/53/1079301053.db2.gz MVVIQVFBNNVIJO-UHFFFAOYSA-N 1 0 416.566 2.356 20 0 HEADRO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000766725452 1079303309 /nfs/dbraw/zinc/30/33/09/1079303309.db2.gz MIRKMACCJWLFPX-GBESFXJTSA-N 1 0 401.511 2.448 20 0 HEADRO CN(CCCC[NH+](C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771370282 1079307472 /nfs/dbraw/zinc/30/74/72/1079307472.db2.gz FWHSYVNIPZCZQO-LJQANCHMSA-N 1 0 412.893 2.046 20 0 HEADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000766720963 1079308097 /nfs/dbraw/zinc/30/80/97/1079308097.db2.gz GURDWQABIQRHKE-YLJYHZDGSA-N 1 0 400.498 2.361 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001169472903 1079311053 /nfs/dbraw/zinc/31/10/53/1079311053.db2.gz CFVUFGCPFMTSCG-LJQANCHMSA-N 1 0 400.567 2.100 20 0 HEADRO COc1c(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCCN2)ncnc1C1C[NH2+]C1 ZINC001169513765 1079318840 /nfs/dbraw/zinc/31/88/40/1079318840.db2.gz AWVZUVOZESURDS-AEFFLSMTSA-N 1 0 411.506 2.043 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCC[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 ZINC001169487517 1079319984 /nfs/dbraw/zinc/31/99/84/1079319984.db2.gz SNRGVFILBLLKAB-BQFCYCMXSA-N 1 0 413.559 2.412 20 0 HEADRO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000771396846 1079321496 /nfs/dbraw/zinc/32/14/96/1079321496.db2.gz FEOIYSXIUUTHPS-MRXNPFEDSA-N 1 0 412.575 2.033 20 0 HEADRO CC(=O)N1CC[C@@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CCS(=O)(=O)CC2)C1 ZINC001169521314 1079321977 /nfs/dbraw/zinc/32/19/77/1079321977.db2.gz QCYKACLULWLTJK-MRXNPFEDSA-N 1 0 418.481 2.406 20 0 HEADRO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001169524153 1079322385 /nfs/dbraw/zinc/32/23/85/1079322385.db2.gz CWEWZSJHPPQPPB-DYVFJYSZSA-N 1 0 405.520 2.184 20 0 HEADRO CC(=O)N1CC[C@@H](N(Cc2cccnc2)c2ccc3nc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001169537026 1079325105 /nfs/dbraw/zinc/32/51/05/1079325105.db2.gz IYXKXBUHAQQFAA-OAQYLSRUSA-N 1 0 419.533 2.219 20 0 HEADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001169542417 1079327298 /nfs/dbraw/zinc/32/72/98/1079327298.db2.gz VNQUSLUUXVAAQJ-LZQZEXGQSA-N 1 0 401.507 2.500 20 0 HEADRO CCOC1(OCC)CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCCN(C(C)=O)C1 ZINC001169569149 1079334160 /nfs/dbraw/zinc/33/41/60/1079334160.db2.gz HXWOIGKQPHXRJK-ZWKOTPCHSA-N 1 0 413.559 2.366 20 0 HEADRO NC(=O)c1c[nH]c2ncnc(-n3cc(CC[NH3+])c4ccc(OC(F)(F)F)cc43)c12 ZINC001169609459 1079336687 /nfs/dbraw/zinc/33/66/87/1079336687.db2.gz XXRCNFOOIQUJKZ-UHFFFAOYSA-N 1 0 404.352 2.401 20 0 HEADRO COc1cccc(CN2CCOC3(CC[NH+]([C@@H]4CCCN(C(C)=O)C4)CC3)C2)c1 ZINC001169607210 1079343678 /nfs/dbraw/zinc/34/36/78/1079343678.db2.gz BOGKOXHIPFYNHF-OAQYLSRUSA-N 1 0 401.551 2.373 20 0 HEADRO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000771437944 1079343935 /nfs/dbraw/zinc/34/39/35/1079343935.db2.gz RXSQAHCMRGDYNH-IPMKNSEASA-N 1 0 405.539 2.289 20 0 HEADRO Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)NCC2([NH+]3CCSCC3)CCCC2)cn1 ZINC000766761628 1079345093 /nfs/dbraw/zinc/34/50/93/1079345093.db2.gz OITCEFBMAUPBBS-MOPGFXCFSA-N 1 0 421.611 2.379 20 0 HEADRO CN(C)c1cc[nH+]c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000771467746 1079348454 /nfs/dbraw/zinc/34/84/54/1079348454.db2.gz AIZCQTPMNQOTQI-LJQANCHMSA-N 1 0 419.844 2.346 20 0 HEADRO C[NH+](C)C1CCN(C(=O)Cc2noc([C@H]3CC(c4cc(F)ccc4F)=NO3)n2)CC1 ZINC000771471224 1079349230 /nfs/dbraw/zinc/34/92/30/1079349230.db2.gz CZHVRLFALVOHKI-QGZVFWFLSA-N 1 0 419.432 2.309 20 0 HEADRO CC(=O)N1CCC[C@@H]([N@@H+]2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)C1 ZINC001169611376 1079351405 /nfs/dbraw/zinc/35/14/05/1079351405.db2.gz QFMAOWHSOYHYOK-IRLDBZIGSA-N 1 0 404.555 2.217 20 0 HEADRO CC(=O)N1CCC[C@@H]([N@@H+]2CCc3ccc(=O)n(Cc4csc(C)n4)c3CC2)C1 ZINC001169614856 1079352372 /nfs/dbraw/zinc/35/23/72/1079352372.db2.gz KAHIYYCMEVLOIF-LJQANCHMSA-N 1 0 400.548 2.073 20 0 HEADRO CC(=O)N1CCC[C@@H]([N@@H+]2CCC[C@@]3(CC(C(=O)NCc4ccc(C)cc4)=NO3)C2)C1 ZINC001169613048 1079352393 /nfs/dbraw/zinc/35/23/93/1079352393.db2.gz YAEKEYGNWVOWTA-NFBKMPQASA-N 1 0 412.534 2.233 20 0 HEADRO Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC000766764477 1079353077 /nfs/dbraw/zinc/35/30/77/1079353077.db2.gz NELJYMLTUMQCRF-ZCNNSNEGSA-N 1 0 403.502 2.460 20 0 HEADRO CCOC(=O)N1CCC[C@H]([NH2+]CCOCCOCCNC(=O)OC(C)(C)C)CC1 ZINC001169661218 1079359093 /nfs/dbraw/zinc/35/90/93/1079359093.db2.gz HMHRNNRDLZEDFF-KRWDZBQOSA-N 1 0 417.547 2.145 20 0 HEADRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(NC(=O)C(C)(C)C)c(N[C@H]2CCCOC2)n1 ZINC001169663130 1079359124 /nfs/dbraw/zinc/35/91/24/1079359124.db2.gz ILLVKTQNXMBEFJ-KKUMJFAQSA-N 1 0 404.511 2.133 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CC1 ZINC001169663855 1079359521 /nfs/dbraw/zinc/35/95/21/1079359521.db2.gz GUKIKLPZHFOVNP-HUUCEWRRSA-N 1 0 401.504 2.043 20 0 HEADRO CCOC(=O)N1CCC[C@H]([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(CO)C2)CC1 ZINC001169682860 1079366273 /nfs/dbraw/zinc/36/62/73/1079366273.db2.gz RQBLXPXAEOJCQJ-XGHQBKJUSA-N 1 0 411.543 2.159 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([NH2+]C2(Cc3cccnc3)CCS(=O)(=O)CC2)CC1 ZINC001169668504 1079362783 /nfs/dbraw/zinc/36/27/83/1079362783.db2.gz GVSRQZMTHZIJSX-GOSISDBHSA-N 1 0 409.552 2.172 20 0 HEADRO CCOC(=O)N1CCC[C@H]([N@@H+]2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@@H]3C2)CC1 ZINC001169683976 1079366427 /nfs/dbraw/zinc/36/64/27/1079366427.db2.gz AXYSUCYVFNDTQN-BWPNAZKDSA-N 1 0 419.522 2.101 20 0 HEADRO 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ZINC000741014072 1076329481 /nfs/dbraw/zinc/32/94/81/1076329481.db2.gz IUKAZQIKTOKBAX-MRXNPFEDSA-N 1 0 404.467 2.454 20 0 HEADRO CCCCn1c2nc(COC(=O)[C@@H](C(C)C)[NH+]3CCCC3)n(CC)c2c(=O)[nH]c1=O ZINC000741014868 1076329658 /nfs/dbraw/zinc/32/96/58/1076329658.db2.gz QYGKGBIQHWAGHE-MRXNPFEDSA-N 1 0 419.526 2.282 20 0 HEADRO CC[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000741054444 1076345911 /nfs/dbraw/zinc/34/59/11/1076345911.db2.gz OGXDQJWBBRLAKP-VSKRKVRLSA-N 1 0 419.566 2.191 20 0 HEADRO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000741054443 1076345963 /nfs/dbraw/zinc/34/59/63/1076345963.db2.gz OGXDQJWBBRLAKP-FSSWDIPSSA-N 1 0 419.566 2.191 20 0 HEADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NC[C@@H](O)c1c(F)cccc1F ZINC000741085984 1076350062 /nfs/dbraw/zinc/35/00/62/1076350062.db2.gz APCJJUNFVSVOQJ-HXUWFJFHSA-N 1 0 419.472 2.454 20 0 HEADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)C[C@@H](C)O)cc2Cl)CC1 ZINC000741097083 1076369292 /nfs/dbraw/zinc/36/92/92/1076369292.db2.gz BAFYIHLKNKYHOW-JKSUJKDBSA-N 1 0 424.973 2.334 20 0 HEADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2F)cc1 ZINC000741104405 1076376961 /nfs/dbraw/zinc/37/69/61/1076376961.db2.gz BHNXAWQFRJXDTL-SFHVURJKSA-N 1 0 421.444 2.084 20 0 HEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2Cl)cc1 ZINC000741105779 1076377905 /nfs/dbraw/zinc/37/79/05/1076377905.db2.gz ZJBLEGMRTXRONP-SFHVURJKSA-N 1 0 405.882 2.069 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000741157833 1076389513 /nfs/dbraw/zinc/38/95/13/1076389513.db2.gz GEOUOIMHBPICAU-UXHICEINSA-N 1 0 421.563 2.191 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000741157832 1076389571 /nfs/dbraw/zinc/38/95/71/1076389571.db2.gz GEOUOIMHBPICAU-PMACEKPBSA-N 1 0 421.563 2.191 20 0 HEADRO COCC(=O)N[C@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000741192773 1076402728 /nfs/dbraw/zinc/40/27/28/1076402728.db2.gz 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CCOC(=O)[C@H]1CN(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)CCO1 ZINC000741385114 1076507864 /nfs/dbraw/zinc/50/78/64/1076507864.db2.gz KAYULPRRBHAICS-GOSISDBHSA-N 1 0 424.929 2.278 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CCO1 ZINC000741402147 1076511083 /nfs/dbraw/zinc/51/10/83/1076511083.db2.gz IIMIIECAHYAZCH-WOJBJXKFSA-N 1 0 419.522 2.196 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000741404219 1076511451 /nfs/dbraw/zinc/51/14/51/1076511451.db2.gz LJLMYLYNULQOEZ-QZTJIDSGSA-N 1 0 409.914 2.450 20 0 HEADRO COC(=O)NCc1ccc(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741394197 1076519865 /nfs/dbraw/zinc/51/98/65/1076519865.db2.gz OBSSDOBOOOILEH-QFIPXVFZSA-N 1 0 412.490 2.301 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1)C1CC[NH+](C)CC1 ZINC000741430504 1076523309 /nfs/dbraw/zinc/52/33/09/1076523309.db2.gz HTQRDGGMBDAIKZ-VAMGGRTRSA-N 1 0 414.550 2.085 20 0 HEADRO 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403.589 2.427 20 0 HEADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000742323191 1076823840 /nfs/dbraw/zinc/82/38/40/1076823840.db2.gz ZTTYIWVLPBZXDS-GOSISDBHSA-N 1 0 409.552 2.143 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742345915 1076831828 /nfs/dbraw/zinc/83/18/28/1076831828.db2.gz BEXNIQAGTFSHSP-VQTJNVASSA-N 1 0 423.579 2.391 20 0 HEADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000742347423 1076832509 /nfs/dbraw/zinc/83/25/09/1076832509.db2.gz QHAZDHUUNKNOQH-IBGZPJMESA-N 1 0 423.579 2.391 20 0 HEADRO NC(=O)COc1cccc(C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)c1 ZINC000742383711 1076833154 /nfs/dbraw/zinc/83/31/54/1076833154.db2.gz MNUDNYCFJXXKHT-UHFFFAOYSA-N 1 0 406.486 2.225 20 0 HEADRO Cc1cc(N2CC[C@H]([NH2+]CCC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)n(C)n1 ZINC000742384542 1076833197 /nfs/dbraw/zinc/83/31/97/1076833197.db2.gz HIMKZNBSYGNGRH-KRWDZBQOSA-N 1 0 405.543 2.461 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)CC1 ZINC000742393442 1076833712 /nfs/dbraw/zinc/83/37/12/1076833712.db2.gz AMVLDDNKGCXBQD-UHFFFAOYSA-N 1 0 407.536 2.090 20 0 HEADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000742396307 1076834267 /nfs/dbraw/zinc/83/42/67/1076834267.db2.gz AHFYVIBYGMUWNG-IBGZPJMESA-N 1 0 407.511 2.465 20 0 HEADRO C[C@@H](C(=O)NCCN1CC[NH+](C)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000742500556 1076845673 /nfs/dbraw/zinc/84/56/73/1076845673.db2.gz DVUFDRJNAUAGBI-IEBWSBKVSA-N 1 0 404.555 2.252 20 0 HEADRO CCOC(=O)C1=C(CN2CC[NH+](C3CC3)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000742600198 1076854979 /nfs/dbraw/zinc/85/49/79/1076854979.db2.gz DJMRXWBMDGKVKZ-IBGZPJMESA-N 1 0 418.925 2.291 20 0 HEADRO CCn1cc(NC(=S)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)cn1 ZINC000737463590 1076855954 /nfs/dbraw/zinc/85/59/54/1076855954.db2.gz HABUXFSNXLEUFI-UHFFFAOYSA-N 1 0 402.568 2.362 20 0 HEADRO COc1cc[nH+]c(N2CCN(C(=O)CN(CC3CC3)C(=O)OC(C)(C)C)CC2)c1 ZINC000742639365 1076860334 /nfs/dbraw/zinc/86/03/34/1076860334.db2.gz XKPZBKLWEFKSAA-UHFFFAOYSA-N 1 0 404.511 2.386 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000742642905 1076860670 /nfs/dbraw/zinc/86/06/70/1076860670.db2.gz ODCOZXIPHRTCSU-UFYCRDLUSA-N 1 0 417.550 2.353 20 0 HEADRO N=C1NC(=O)C(CC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)S1 ZINC000742656816 1076861059 /nfs/dbraw/zinc/86/10/59/1076861059.db2.gz JRJBAEBJDYHCOO-SFHVURJKSA-N 1 0 402.564 2.394 20 0 HEADRO Cn1ccnc1[C@](O)(C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C(F)(F)F ZINC000742717667 1076874325 /nfs/dbraw/zinc/87/43/25/1076874325.db2.gz MENCZVGRZGZQTM-QGZVFWFLSA-N 1 0 409.368 2.079 20 0 HEADRO CCOC(Cn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)nn1)OCC ZINC000742790516 1076879480 /nfs/dbraw/zinc/87/94/80/1076879480.db2.gz HAROVPXEBSEFSJ-GOSISDBHSA-N 1 0 401.511 2.024 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000742792866 1076880119 /nfs/dbraw/zinc/88/01/19/1076880119.db2.gz YZFJUJGPOZYJGD-GOSISDBHSA-N 1 0 417.531 2.411 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)C1 ZINC000742881005 1076888533 /nfs/dbraw/zinc/88/85/33/1076888533.db2.gz WNHZAQWVAKQNOP-KRWDZBQOSA-N 1 0 420.579 2.038 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)C1 ZINC000742867008 1076890021 /nfs/dbraw/zinc/89/00/21/1076890021.db2.gz GMCLGRKXHTYJCH-CYBMUJFWSA-N 1 0 415.506 2.209 20 0 HEADRO CN(CC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)C(=O)OC(C)(C)C ZINC000742897523 1076893913 /nfs/dbraw/zinc/89/39/13/1076893913.db2.gz MYIMUBJWKOAASR-UHFFFAOYSA-N 1 0 406.527 2.118 20 0 HEADRO CCc1noc(CCCC(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)n1 ZINC000742896871 1076894065 /nfs/dbraw/zinc/89/40/65/1076894065.db2.gz DNKYUTXHKPNXJC-UHFFFAOYSA-N 1 0 401.511 2.220 20 0 HEADRO CCOC(=O)N[C@@H](C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)C(C)C ZINC000742898072 1076894291 /nfs/dbraw/zinc/89/42/91/1076894291.db2.gz SLLOBCFSPAWXKR-LJQANCHMSA-N 1 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CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)CC1 ZINC000743174859 1076989033 /nfs/dbraw/zinc/98/90/33/1076989033.db2.gz VMRKQDMJDDMWIK-MOPGFXCFSA-N 1 0 403.571 2.307 20 0 HEADRO CNC(=O)Cn1ccc2ccc(NC(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc21 ZINC000743205612 1076996471 /nfs/dbraw/zinc/99/64/71/1076996471.db2.gz VBKPVZQKOJNMCE-IBGZPJMESA-N 1 0 413.522 2.152 20 0 HEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1ccn(CCc2ccncc2)n1 ZINC000743189019 1077002384 /nfs/dbraw/zinc/00/23/84/1077002384.db2.gz ZFFSEJBLJWGVEL-QHCPKHFHSA-N 1 0 420.517 2.279 20 0 HEADRO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000743315227 1077027394 /nfs/dbraw/zinc/02/73/94/1077027394.db2.gz SHJJWBNVQQXFHH-QGZVFWFLSA-N 1 0 417.554 2.079 20 0 HEADRO C[C@H](C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC000743324746 1077029069 /nfs/dbraw/zinc/02/90/69/1077029069.db2.gz CQCQIANRKZQTLK-MSOLQXFVSA-N 1 0 424.586 2.130 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCN(C(=O)OCC(C)C)CC3)cc2)CC1 ZINC000743327961 1077029346 /nfs/dbraw/zinc/02/93/46/1077029346.db2.gz YOLLCTDPZPCKAC-UHFFFAOYSA-N 1 0 402.539 2.379 20 0 HEADRO CCOc1ccccc1N1C(=O)C(=O)N(CN2CC[C@H](C[NH+](CC)CC)C2)C1=O ZINC000743388958 1077039353 /nfs/dbraw/zinc/03/93/53/1077039353.db2.gz XDFJMHHBTDCSSU-MRXNPFEDSA-N 1 0 402.495 2.002 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)C1 ZINC000743387379 1077039420 /nfs/dbraw/zinc/03/94/20/1077039420.db2.gz HPXLICRAFMOARF-HNNXBMFYSA-N 1 0 400.552 2.338 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000743393734 1077041120 /nfs/dbraw/zinc/04/11/20/1077041120.db2.gz AOAZWSXFAHVNLK-XDHFQJGLSA-N 1 0 402.539 2.120 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000743393978 1077041177 /nfs/dbraw/zinc/04/11/77/1077041177.db2.gz HKKJNUCOMKOJDD-HNNXBMFYSA-N 1 0 423.311 2.118 20 0 HEADRO CC[C@@H]1CN(CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000743399546 1077042826 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O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000743861138 1077147053 /nfs/dbraw/zinc/14/70/53/1077147053.db2.gz ILOXDJWFPLYUAP-UYAOXDASSA-N 1 0 420.579 2.162 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000743878110 1077160406 /nfs/dbraw/zinc/16/04/06/1077160406.db2.gz XTJUASLLXGYKJD-UHFFFAOYSA-N 1 0 402.495 2.272 20 0 HEADRO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1N1CCOC1=O ZINC000743882558 1077168054 /nfs/dbraw/zinc/16/80/54/1077168054.db2.gz ATGXITGFTBMBKI-GJZGRUSLSA-N 1 0 402.495 2.127 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000743883416 1077171309 /nfs/dbraw/zinc/17/13/09/1077171309.db2.gz HWKSYAYJDXGVLG-UHFFFAOYSA-N 1 0 410.474 2.268 20 0 HEADRO Cc1c(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2)cccc1N1CCOC1=O ZINC000743888731 1077182304 /nfs/dbraw/zinc/18/23/04/1077182304.db2.gz BYNGOCJOIPXFDV-UHFFFAOYSA-N 1 0 424.501 2.481 20 0 HEADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(OC)c(N2CCOC2=O)c1)[NH+](C)C 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C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CCC4(CCCC4)C3)cc2)CC1 ZINC000743987500 1077280680 /nfs/dbraw/zinc/28/06/80/1077280680.db2.gz IZQWZTMKPCUKHF-UHFFFAOYSA-N 1 0 414.550 2.044 20 0 HEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)C1 ZINC000743988585 1077281077 /nfs/dbraw/zinc/28/10/77/1077281077.db2.gz INBXACJKWIVRNA-IBGZPJMESA-N 1 0 410.518 2.025 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)C1 ZINC000743987985 1077281637 /nfs/dbraw/zinc/28/16/37/1077281637.db2.gz CKRWUPGDKKQUHN-GOSISDBHSA-N 1 0 418.538 2.450 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCCC(F)(F)F)cc2)CC1 ZINC000743993953 1077284872 /nfs/dbraw/zinc/28/48/72/1077284872.db2.gz QLTKPLVCTAITQV-UHFFFAOYSA-N 1 0 400.445 2.472 20 0 HEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000743998609 1077286736 /nfs/dbraw/zinc/28/67/36/1077286736.db2.gz ZMMUORSGLGKJQF-SFHVURJKSA-N 1 0 418.501 2.329 20 0 HEADRO Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H]1C 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Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1N1CCOC1=O ZINC000768986716 1080875894 /nfs/dbraw/zinc/87/58/94/1080875894.db2.gz BEGOPPLNMSWQIL-MJGOQNOKSA-N 1 0 402.495 2.451 20 0 HEADRO Cc1c(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cccc1N1CCOC1=O ZINC000768988694 1080876648 /nfs/dbraw/zinc/87/66/48/1080876648.db2.gz MZSDOBMENVICPN-MOPGFXCFSA-N 1 0 402.495 2.451 20 0 HEADRO COc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1N1CCOC1=O ZINC000768990174 1080877764 /nfs/dbraw/zinc/87/77/64/1080877764.db2.gz XRXYMMVYYDNJTP-FUHWJXTLSA-N 1 0 418.494 2.151 20 0 HEADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)OC3)CC1 ZINC000786908846 1080879687 /nfs/dbraw/zinc/87/96/87/1080879687.db2.gz BHKXFLRPWYBUBK-KRWDZBQOSA-N 1 0 424.563 2.239 20 0 HEADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786911532 1080880365 /nfs/dbraw/zinc/88/03/65/1080880365.db2.gz ALNVLUDWXMVRAI-GCJKJVERSA-N 1 0 422.529 2.337 20 0 HEADRO CC(C)(C)OC(=O)NCc1cccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000786912668 1080880729 /nfs/dbraw/zinc/88/07/29/1080880729.db2.gz UBEGSLWQSOGCIC-RBUKOAKNSA-N 1 0 403.523 2.383 20 0 HEADRO CC(C)OCC[NH+]1CCC(NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000768954499 1080881408 /nfs/dbraw/zinc/88/14/08/1080881408.db2.gz BKDWECDTXOZVDC-UHFFFAOYSA-N 1 0 400.564 2.384 20 0 HEADRO O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000768958350 1080883416 /nfs/dbraw/zinc/88/34/16/1080883416.db2.gz WNUMKIWCDZEQGL-CVEARBPZSA-N 1 0 417.478 2.182 20 0 HEADRO CCN(CC(=O)NCc1cccs1)C(=O)COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786880771 1080884758 /nfs/dbraw/zinc/88/47/58/1080884758.db2.gz GUVXXNCMJOGYCP-GOSISDBHSA-N 1 0 421.563 2.163 20 0 HEADRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000786883934 1080885590 /nfs/dbraw/zinc/88/55/90/1080885590.db2.gz RVFXYIRGISSGFE-INIZCTEOSA-N 1 0 417.462 2.056 20 0 HEADRO COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000786884725 1080886764 /nfs/dbraw/zinc/88/67/64/1080886764.db2.gz RLZDUFIQXQIVFW-KXBFYZLASA-N 1 0 402.491 2.428 20 0 HEADRO CC[N@H+](CCc1ccccn1)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000769034549 1080891107 /nfs/dbraw/zinc/89/11/07/1080891107.db2.gz DWEGVEGXVJBYAW-UHFFFAOYSA-N 1 0 413.518 2.392 20 0 HEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000769000041 1080895790 /nfs/dbraw/zinc/89/57/90/1080895790.db2.gz ALPOUEDIKSKTDS-OLZOCXBDSA-N 1 0 410.400 2.271 20 0 HEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000786933647 1080898157 /nfs/dbraw/zinc/89/81/57/1080898157.db2.gz DWCKICODTRSWSP-UHFFFAOYSA-N 1 0 404.555 2.421 20 0 HEADRO CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1 ZINC001109416409 1080898697 /nfs/dbraw/zinc/89/86/97/1080898697.db2.gz DCXIZCGMSHIZNL-XLIFZOOWSA-N 1 0 402.539 2.129 20 0 HEADRO O=C(NC[C@@H]1COc2ccccc2C1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769017151 1080899647 /nfs/dbraw/zinc/89/96/47/1080899647.db2.gz QZPBFWMFWLRVJG-CEMLEFRQSA-N 1 0 409.530 2.420 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 ZINC001169999260 1080901723 /nfs/dbraw/zinc/90/17/23/1080901723.db2.gz QZVXKVUKTWUWAR-MRXNPFEDSA-N 1 0 421.488 2.421 20 0 HEADRO O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000769097561 1080906900 /nfs/dbraw/zinc/90/69/00/1080906900.db2.gz JJZIXITYICKTSW-NJAFHUGGSA-N 1 0 415.456 2.019 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)NCc2cc(Br)cnc2N)CC1 ZINC000786998685 1080909404 /nfs/dbraw/zinc/90/94/04/1080909404.db2.gz KCQJKGITEFTWHZ-UHFFFAOYSA-N 1 0 419.327 2.500 20 0 HEADRO CN1C(=O)N(CC(=O)OCC[N@H+](C)Cc2ccc(F)cc2)C(=O)C12CCCCC2 ZINC000769061425 1080917204 /nfs/dbraw/zinc/91/72/04/1080917204.db2.gz SIRHGHAUVCKHKH-UHFFFAOYSA-N 1 0 405.470 2.398 20 0 HEADRO C[N@H+](CCOC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccc(F)cc1 ZINC000769075401 1080927661 /nfs/dbraw/zinc/92/76/61/1080927661.db2.gz UZTXADWCCMJAAV-UHFFFAOYSA-N 1 0 410.467 2.492 20 0 HEADRO COc1c(C)cnc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1C ZINC000769086357 1080933881 /nfs/dbraw/zinc/93/38/81/1080933881.db2.gz LPSUWTGBHPDNFQ-CTNGQTDRSA-N 1 0 412.534 2.389 20 0 HEADRO Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000769110551 1080938115 /nfs/dbraw/zinc/93/81/15/1080938115.db2.gz WAVMPEOKBNGFKD-PKTZIBPZSA-N 1 0 410.562 2.486 20 0 HEADRO COC(=O)CC(C)(C)C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000769125911 1080945006 /nfs/dbraw/zinc/94/50/06/1080945006.db2.gz KDXWLZCMSWXLIL-UHFFFAOYSA-N 1 0 408.520 2.306 20 0 HEADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCCC23CC[NH+](C)CC3)ccc1Cl ZINC000769141375 1080957666 /nfs/dbraw/zinc/95/76/66/1080957666.db2.gz SUIVHQMZZGKPBP-UHFFFAOYSA-N 1 0 415.943 2.222 20 0 HEADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](Cc2cnn3ccccc23)C1 ZINC000769192679 1080965941 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/nfs/dbraw/zinc/97/63/01/1080976301.db2.gz VKNCTZMAUCBUIH-NJDAHSKKSA-N 1 0 405.539 2.184 20 0 HEADRO CN(Cc1cnn(-c2ccccc2)n1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000769161115 1080979446 /nfs/dbraw/zinc/97/94/46/1080979446.db2.gz LLQDWBCAOMPVGL-SFTDATJTSA-N 1 0 412.538 2.177 20 0 HEADRO CCOC(=O)N(C)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000769162484 1080980182 /nfs/dbraw/zinc/98/01/82/1080980182.db2.gz PMTWTXHOCZZEKE-MOPGFXCFSA-N 1 0 410.559 2.017 20 0 HEADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000769165618 1080983247 /nfs/dbraw/zinc/98/32/47/1080983247.db2.gz ZVKCHKGZCWLRCO-WDSOQIARSA-N 1 0 424.586 2.311 20 0 HEADRO CC(C)COC(=O)N1CCCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000769167132 1080984939 /nfs/dbraw/zinc/98/49/39/1080984939.db2.gz QEROZCPGTGGSPJ-PMACEKPBSA-N 1 0 424.586 2.264 20 0 HEADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000769187700 1080997361 /nfs/dbraw/zinc/99/73/61/1080997361.db2.gz DHIQSRRZCSREOB-LJQANCHMSA-N 1 0 420.554 2.388 20 0 HEADRO CC1(C)CC([NH+]2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC(C)(C)N1O ZINC001170003053 1081003561 /nfs/dbraw/zinc/00/35/61/1081003561.db2.gz LYQNUFFIFHLMRO-IBGZPJMESA-N 1 0 403.523 2.381 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000787110472 1081003787 /nfs/dbraw/zinc/00/37/87/1081003787.db2.gz VBVNUFKZLIOXPM-LEWJYISDSA-N 1 0 417.525 2.119 20 0 HEADRO CCc1nc(C)c([C@H](C)N(C)C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000787109196 1081003793 /nfs/dbraw/zinc/00/37/93/1081003793.db2.gz QUWXVZTYHFYDRD-RDJZCZTQSA-N 1 0 422.595 2.293 20 0 HEADRO CCCN(CCc1cccs1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787109059 1081003818 /nfs/dbraw/zinc/00/38/18/1081003818.db2.gz VPPSCKYUTOGFPK-GOSISDBHSA-N 1 0 407.580 2.289 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N(Cc1ccccc1F)C1CC1 ZINC000787110201 1081004254 /nfs/dbraw/zinc/00/42/54/1081004254.db2.gz ZFSHLBPDWMKSEU-LJQANCHMSA-N 1 0 403.498 2.076 20 0 HEADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2ncsc2c1 ZINC000787111481 1081004551 /nfs/dbraw/zinc/00/45/51/1081004551.db2.gz ZJIDWEUNMDWTSW-YOEHRIQHSA-N 1 0 416.547 2.233 20 0 HEADRO Cc1ccc(C(C)(C)CN(C)C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000787111054 1081004648 /nfs/dbraw/zinc/00/46/48/1081004648.db2.gz XQIBQXPUTDOHIX-NRFANRHFSA-N 1 0 415.578 2.491 20 0 HEADRO Cc1cccc(C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000787113540 1081005856 /nfs/dbraw/zinc/00/58/56/1081005856.db2.gz GTALZJPNPFBUSA-HXUWFJFHSA-N 1 0 401.551 2.148 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000787113569 1081005929 /nfs/dbraw/zinc/00/59/29/1081005929.db2.gz HJDHBJLOVYZABT-FCHUYYIVSA-N 1 0 413.562 2.370 20 0 HEADRO CN(Cc1ccc(Cl)c(F)c1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787121340 1081009683 /nfs/dbraw/zinc/00/96/83/1081009683.db2.gz FPWCAQDXUFVSBK-INIZCTEOSA-N 1 0 411.905 2.197 20 0 HEADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc2ccccc2s1 ZINC000787122686 1081009950 /nfs/dbraw/zinc/00/99/50/1081009950.db2.gz IXXXVXTZGBNGCA-HOCLYGCPSA-N 1 0 416.547 2.233 20 0 HEADRO O=C(CC[N@@H+]1CCOC2(CCOCC2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000769230500 1081010058 /nfs/dbraw/zinc/01/00/58/1081010058.db2.gz SGDLWYGUMVZIEO-UHFFFAOYSA-N 1 0 401.507 2.179 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000787100706 1081012669 /nfs/dbraw/zinc/01/26/69/1081012669.db2.gz CXGXCPFPUYZDMX-MAUKXSAKSA-N 1 0 421.538 2.238 20 0 HEADRO Cc1cc(N2CCC[C@H](NC(=O)/C=C\c3ccc(OCC[NH+](C)C)cc3)C2)n(C)n1 ZINC000769287838 1081014116 /nfs/dbraw/zinc/01/41/16/1081014116.db2.gz UZTKZJOOXQXOHY-DBBZSVRUSA-N 1 0 411.550 2.467 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000746648679 1081020792 /nfs/dbraw/zinc/02/07/92/1081020792.db2.gz QAPZXNWXVUOSOL-SCEWNMGZSA-N 1 0 409.552 2.031 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC(c2ccsc2)CC1 ZINC000787132033 1081021168 /nfs/dbraw/zinc/02/11/68/1081021168.db2.gz XPJGCPYLLQWGKG-IBGZPJMESA-N 1 0 405.564 2.214 20 0 HEADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000787135673 1081021858 /nfs/dbraw/zinc/02/18/58/1081021858.db2.gz FVAYHKHCFXUXKP-SFHVURJKSA-N 1 0 410.493 2.317 20 0 HEADRO CCN(CCc1ccccn1)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000787135816 1081021940 /nfs/dbraw/zinc/02/19/40/1081021940.db2.gz GMFHTQSHUAZDQP-UHFFFAOYSA-N 1 0 412.509 2.393 20 0 HEADRO CCN(CCc1ccccn1)C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000787137880 1081023014 /nfs/dbraw/zinc/02/30/14/1081023014.db2.gz MFUGWWZUABGRAF-UHFFFAOYSA-N 1 0 408.546 2.296 20 0 HEADRO O=C(NCC1(c2ccccc2Cl)CC1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787137751 1081023111 /nfs/dbraw/zinc/02/31/11/1081023111.db2.gz LDRLYEVPRAYZRB-KRWDZBQOSA-N 1 0 419.953 2.247 20 0 HEADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000787144456 1081027717 /nfs/dbraw/zinc/02/77/17/1081027717.db2.gz QHWSGEMHPWOSGK-GOSISDBHSA-N 1 0 410.518 2.054 20 0 HEADRO Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000769275846 1081027755 /nfs/dbraw/zinc/02/77/55/1081027755.db2.gz JVZKIKOWVONTCT-PVKQIQIRSA-N 1 0 410.522 2.083 20 0 HEADRO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000769276974 1081028010 /nfs/dbraw/zinc/02/80/10/1081028010.db2.gz PPUAFIFWSNKYBG-SJORKVTESA-N 1 0 413.584 2.400 20 0 HEADRO CON(CC1CCOCC1)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000787156815 1081033453 /nfs/dbraw/zinc/03/34/53/1081033453.db2.gz HXYPTXDUEBCUPR-SFHVURJKSA-N 1 0 417.550 2.351 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)N1CCCC2(C1)OCCO2 ZINC000787156693 1081033779 /nfs/dbraw/zinc/03/37/79/1081033779.db2.gz GYGLRQMHGGAQAO-GOSISDBHSA-N 1 0 415.534 2.043 20 0 HEADRO CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787123154 1081034260 /nfs/dbraw/zinc/03/42/60/1081034260.db2.gz KXGFKQYGEQFNBY-SFTDATJTSA-N 1 0 401.551 2.274 20 0 HEADRO CC(C)N(Cc1cccc(F)c1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787124339 1081034332 /nfs/dbraw/zinc/03/43/32/1081034332.db2.gz NAWPNTSPJZNQSX-FQEVSTJZSA-N 1 0 405.514 2.322 20 0 HEADRO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787124264 1081034656 /nfs/dbraw/zinc/03/46/56/1081034656.db2.gz MSKVLCZKZCTYMN-RTWAWAEBSA-N 1 0 419.541 2.269 20 0 HEADRO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787128866 1081035768 /nfs/dbraw/zinc/03/57/68/1081035768.db2.gz WGJLACCUIHXQDG-SBHAEUEKSA-N 1 0 413.562 2.459 20 0 HEADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000787159836 1081036892 /nfs/dbraw/zinc/03/68/92/1081036892.db2.gz MDXJVTKWAOQXKT-NRFANRHFSA-N 1 0 409.534 2.435 20 0 HEADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NCCOc2cccnc2)C1 ZINC000787159906 1081037605 /nfs/dbraw/zinc/03/76/05/1081037605.db2.gz SFIVFBCCNBQVMU-GOSISDBHSA-N 1 0 410.518 2.125 20 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CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000746660792 1081054859 /nfs/dbraw/zinc/05/48/59/1081054859.db2.gz ACPXSEXUDSRSKU-MRXNPFEDSA-N 1 0 411.543 2.119 20 0 HEADRO C[N@H+](C[C@@H](O)COc1ccc2c(c1)OCO2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661907 1081055289 /nfs/dbraw/zinc/05/52/89/1081055289.db2.gz MUIDPERMCCSEQX-MRXNPFEDSA-N 1 0 408.495 2.486 20 0 HEADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000787192861 1081056865 /nfs/dbraw/zinc/05/68/65/1081056865.db2.gz NZHCIKFMDQTRKF-QFIPXVFZSA-N 1 0 413.562 2.482 20 0 HEADRO CC(C)(C)OC(=O)N(CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000787194214 1081058258 /nfs/dbraw/zinc/05/82/58/1081058258.db2.gz WFLWNTJIPSASTN-UHFFFAOYSA-N 1 0 422.570 2.025 20 0 HEADRO CCc1ccc(N2CCN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000787198094 1081059181 /nfs/dbraw/zinc/05/91/81/1081059181.db2.gz HOGZLZKQAWETOI-UHFFFAOYSA-N 1 0 412.578 2.421 20 0 HEADRO COc1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1OCC(=O)N(C)C ZINC000769385047 1081059744 /nfs/dbraw/zinc/05/97/44/1081059744.db2.gz NPLDJZGNPXWVTQ-INIZCTEOSA-N 1 0 407.511 2.261 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000769395628 1081076413 /nfs/dbraw/zinc/07/64/13/1081076413.db2.gz JGZNHALHWCFGPQ-KRWDZBQOSA-N 1 0 423.504 2.436 20 0 HEADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](c3nccn3C)C2)c1 ZINC000787288624 1081093224 /nfs/dbraw/zinc/09/32/24/1081093224.db2.gz OWQNDDLWSAACIZ-FQEVSTJZSA-N 1 0 411.550 2.284 20 0 HEADRO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000769494204 1081095722 /nfs/dbraw/zinc/09/57/22/1081095722.db2.gz HFQYEQXGMSEPSG-DOTOQJQBSA-N 1 0 402.499 2.166 20 0 HEADRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000769496486 1081097454 /nfs/dbraw/zinc/09/74/54/1081097454.db2.gz YKNKCIOBPMDRMC-MRXNPFEDSA-N 1 0 400.500 2.266 20 0 HEADRO C[NH+](C)CCn1ccc(NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)n1 ZINC000787269864 1081101890 /nfs/dbraw/zinc/10/18/90/1081101890.db2.gz GANCTMFHSSHWLL-AWEZNQCLSA-N 1 0 417.514 2.145 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000769513069 1081103519 /nfs/dbraw/zinc/10/35/19/1081103519.db2.gz YVNGVTCWIVZTMT-NRFANRHFSA-N 1 0 408.543 2.334 20 0 HEADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000769512401 1081104210 /nfs/dbraw/zinc/10/42/10/1081104210.db2.gz MNQQUXONTYSGSI-SFHVURJKSA-N 1 0 410.522 2.274 20 0 HEADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000769528166 1081109490 /nfs/dbraw/zinc/10/94/90/1081109490.db2.gz TUGQWQZUJKHXOF-KURKYZTESA-N 1 0 407.559 2.393 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769530063 1081111213 /nfs/dbraw/zinc/11/12/13/1081111213.db2.gz IZMPMXCAVNBPIJ-HOTGVXAUSA-N 1 0 417.428 2.282 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769531609 1081112564 /nfs/dbraw/zinc/11/25/64/1081112564.db2.gz JNVOZYBWGHWDBK-BHIYHBOVSA-N 1 0 420.554 2.082 20 0 HEADRO COc1ccc(C2N=NC(=S)N2CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000769598761 1081117109 /nfs/dbraw/zinc/11/71/09/1081117109.db2.gz DWWUMLYTXYJRSY-WBVHZDCISA-N 1 0 401.536 2.185 20 0 HEADRO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@]3(CCOC3)C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164390385 718807347 /nfs/dbraw/zinc/80/73/47/718807347.db2.gz PUDPGTQSAHWVCJ-HXOBKFHXSA-N 1 0 416.566 2.497 20 0 HEADRO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@]3(CCOC3)C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164390392 718807467 /nfs/dbraw/zinc/80/74/67/718807467.db2.gz PUDPGTQSAHWVCJ-UZUQRXQVSA-N 1 0 416.566 2.497 20 0 HEADRO O=C1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)CC2(CC[NH2+]CC2)N1 ZINC001164391947 718808991 /nfs/dbraw/zinc/80/89/91/718808991.db2.gz WYWFYGNDGDZDFV-UHFFFAOYSA-N 1 0 407.852 2.400 20 0 HEADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1C ZINC001164407429 718839542 /nfs/dbraw/zinc/83/95/42/718839542.db2.gz WUHUTHZMNAYIKU-KRWDZBQOSA-N 1 0 400.596 2.388 20 0 HEADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164408772 718851714 /nfs/dbraw/zinc/85/17/14/718851714.db2.gz SYUQFKLBTZCGIQ-PSLIRLAXSA-N 1 0 405.232 2.379 20 0 HEADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c(Cl)nn2)c1 ZINC001164401569 718854782 /nfs/dbraw/zinc/85/47/82/718854782.db2.gz BSEFWBHYYPHCHF-FZKQIMNGSA-N 1 0 410.852 2.369 20 0 HEADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164403396 718862355 /nfs/dbraw/zinc/86/23/55/718862355.db2.gz NIHKNLGKRYHNRO-TZMCWYRMSA-N 1 0 416.856 2.056 20 0 HEADRO C[Si](C)(C)c1ccc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc1Cl ZINC001164423836 718915591 /nfs/dbraw/zinc/91/55/91/718915591.db2.gz KABJHEYCJNHWRI-QGZVFWFLSA-N 1 0 419.976 2.410 20 0 HEADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nn1)C2 ZINC001164432615 718968444 /nfs/dbraw/zinc/96/84/44/718968444.db2.gz HOTZECWIIJWTCE-OLZOCXBDSA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164435111 718969941 /nfs/dbraw/zinc/96/99/41/718969941.db2.gz ZCQOUJLYLPBMRZ-STQMWFEESA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)c1ccc(C(F)(F)N2[C@H](C(=O)OCC)C[C@H]3C[NH2+]C[C@H]32)c(Cl)n1 ZINC001164615929 719016955 /nfs/dbraw/zinc/01/69/55/719016955.db2.gz JUSXZBFGTVOSJQ-LEWSCRJBSA-N 1 0 417.840 2.186 20 0 HEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164614855 719019000 /nfs/dbraw/zinc/01/90/00/719019000.db2.gz GQJYQLMWUVNHBJ-WXHSDQCUSA-N 1 0 418.828 2.102 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(=O)OC(C)C)nn3)CC2)CC1 ZINC001164614704 719023435 /nfs/dbraw/zinc/02/34/35/719023435.db2.gz XBAYRZSSVOSJRJ-UHFFFAOYSA-N 1 0 404.511 2.286 20 0 HEADRO CCOC(=O)c1cc(C)nc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)n1 ZINC001164613740 719023828 /nfs/dbraw/zinc/02/38/28/719023828.db2.gz BJVVBQSXZFVELU-UHFFFAOYSA-N 1 0 404.511 2.206 20 0 HEADRO NS(=O)(=O)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164629153 719073227 /nfs/dbraw/zinc/07/32/27/719073227.db2.gz WCQFBDYWRBTXRN-CRAIPNDOSA-N 1 0 406.939 2.483 20 0 HEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164618938 719133323 /nfs/dbraw/zinc/13/33/23/719133323.db2.gz APIFTSBDNBOVEP-LLVKDONJSA-N 1 0 407.204 2.313 20 0 HEADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164629714 719135321 /nfs/dbraw/zinc/13/53/21/719135321.db2.gz CIPZDWPINNLHAJ-OAHLLOKOSA-N 1 0 415.563 2.117 20 0 HEADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC001164635857 719137565 /nfs/dbraw/zinc/13/75/65/719137565.db2.gz XGOBVQYECYIOJT-INIZCTEOSA-N 1 0 411.531 2.371 20 0 HEADRO c1ccc(OCc2nnc3n2CCN(c2ncccc2C[NH+]2CCCC2)CC3)nc1 ZINC001164687827 719686716 /nfs/dbraw/zinc/68/67/16/719686716.db2.gz VVXXPEZGEPLNAW-UHFFFAOYSA-N 1 0 405.506 2.306 20 0 HEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)COc1cccc(Cl)n1)CC2 ZINC001164685956 719728270 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409.534 2.101 20 0 HEADRO CC(C)N(C)Cc1nnc2n1CCCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001165011303 721720891 /nfs/dbraw/zinc/72/08/91/721720891.db2.gz OTDWCOBUHSTMFF-UHFFFAOYSA-N 1 0 413.570 2.302 20 0 HEADRO O=C1N(c2cncnc2)CC[C@]12CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001165023771 721784593 /nfs/dbraw/zinc/78/45/93/721784593.db2.gz UYQWJTKRMASELY-QHCPKHFHSA-N 1 0 422.533 2.370 20 0 HEADRO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)cnc1Cl ZINC001164926138 721857816 /nfs/dbraw/zinc/85/78/16/721857816.db2.gz HPTXQUGPGKPODF-HUUCEWRRSA-N 1 0 402.873 2.281 20 0 HEADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164930320 721859625 /nfs/dbraw/zinc/85/96/25/721859625.db2.gz RHRBKTZDEMCVGY-HUUCEWRRSA-N 1 0 402.873 2.281 20 0 HEADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2c1ncn2Cc1ccccc1F ZINC001164922615 721869356 /nfs/dbraw/zinc/86/93/56/721869356.db2.gz HHMRQAULMDJMJD-MOPGFXCFSA-N 1 0 409.513 2.228 20 0 HEADRO 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FDYATNLHGFXGGQ-JKSUJKDBSA-N 1 0 417.897 2.039 20 0 HEADRO COCCn1ccc2c1ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978432 722123265 /nfs/dbraw/zinc/12/32/65/722123265.db2.gz OQBUVZGLQCETND-CTNGQTDRSA-N 1 0 422.533 2.200 20 0 HEADRO O=C1NCc2c1cc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983756 722127022 /nfs/dbraw/zinc/12/70/22/722127022.db2.gz ZYFSJIUTYQHDFJ-MAUKXSAKSA-N 1 0 413.909 2.101 20 0 HEADRO CNC(=O)c1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164978343 722127647 /nfs/dbraw/zinc/12/76/47/722127647.db2.gz OKVGIOBYNBVBQN-WMZOPIPTSA-N 1 0 415.925 2.217 20 0 HEADRO COc1cnc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984196 722135571 /nfs/dbraw/zinc/13/55/71/722135571.db2.gz WIUFGSQLWBLETR-PXNSSMCTSA-N 1 0 406.490 2.156 20 0 HEADRO COc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2c1ccn2C ZINC001164972207 722154788 /nfs/dbraw/zinc/15/47/88/722154788.db2.gz GXAOSYJSUIQGKR-PKOBYXMFSA-N 1 0 408.506 2.099 20 0 HEADRO CCOC(=O)Cc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164977107 722156311 /nfs/dbraw/zinc/15/63/11/722156311.db2.gz XAUDCWISJGBWJT-RTWAWAEBSA-N 1 0 410.518 2.310 20 0 HEADRO F[C@H](Oc1ccc(Cl)nn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975311 722157399 /nfs/dbraw/zinc/15/73/99/722157399.db2.gz SCZNALNGQSVXOM-FCEWJHQRSA-N 1 0 407.877 2.380 20 0 HEADRO COC(=O)/C=C/c1cc(C)cnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002922 722255594 /nfs/dbraw/zinc/25/55/94/722255594.db2.gz XLVSXXZVWNWGCR-VOTSOKGWSA-N 1 0 413.522 2.261 20 0 HEADRO C[NH+]1CCC(NS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000769624506 1078478748 /nfs/dbraw/zinc/47/87/48/1078478748.db2.gz DHADMJBCYSIXKD-UHFFFAOYSA-N 1 0 409.552 2.049 20 0 HEADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000769624882 1078478912 /nfs/dbraw/zinc/47/89/12/1078478912.db2.gz LPUXBOCGURWHHS-SXLOBPIMSA-N 1 0 416.566 2.365 20 0 HEADRO C[N@H+](CCNC(=O)c1nccn2c(Br)cnc12)Cc1ccc(F)cc1 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C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000770594068 1078900497 /nfs/dbraw/zinc/90/04/97/1078900497.db2.gz IGUNUQIADYKNNZ-WMLDXEAASA-N 1 0 402.461 2.064 20 0 HEADRO COC(=O)C1(C)CCC([N@H+]2CCc3nc(C(=O)N4CCOCC4)sc3CC2)CC1 ZINC001168780355 1078901247 /nfs/dbraw/zinc/90/12/47/1078901247.db2.gz QCPDQCJXEIPASX-UHFFFAOYSA-N 1 0 421.563 2.138 20 0 HEADRO C[C@H](OC(=O)c1cccc([S@](C)=O)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000770599135 1078902182 /nfs/dbraw/zinc/90/21/82/1078902182.db2.gz XPLKUGAYUNYLPS-NXYYRJHCSA-N 1 0 414.527 2.360 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC001168781337 1078904344 /nfs/dbraw/zinc/90/43/44/1078904344.db2.gz ARUBURFTUCBFJL-UXCYOCFNSA-N 1 0 415.534 2.157 20 0 HEADRO CC(=O)N1CCC[C@H](CNc2cncc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)C1 ZINC001168781450 1078904389 /nfs/dbraw/zinc/90/43/89/1078904389.db2.gz MPUYJRLKYCYODG-LJQANCHMSA-N 1 0 413.566 2.452 20 0 HEADRO 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Cn1ncc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1C1CC1 ZINC000770741913 1078999858 /nfs/dbraw/zinc/99/98/58/1078999858.db2.gz MTMVMFKPZRDZMW-UHFFFAOYSA-N 1 0 405.568 2.104 20 0 HEADRO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000746458827 1079000145 /nfs/dbraw/zinc/00/01/45/1079000145.db2.gz VZKYHNJOIZUVHC-GOSISDBHSA-N 1 0 410.566 2.248 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[C@@H](O)c3ccccc3)c2)CC1 ZINC000770743887 1079001424 /nfs/dbraw/zinc/00/14/24/1079001424.db2.gz MTVQPZUOFHQUIE-OAQYLSRUSA-N 1 0 410.518 2.007 20 0 HEADRO Cc1nc(CNC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)nc2ccccc12 ZINC000804285251 1079008741 /nfs/dbraw/zinc/00/87/41/1079008741.db2.gz FIHALWGDHWLWBD-UHFFFAOYSA-N 1 0 419.529 2.187 20 0 HEADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000746454376 1079005071 /nfs/dbraw/zinc/00/50/71/1079005071.db2.gz OZXAGWJPNZATQD-VQTJNVASSA-N 1 0 423.448 2.460 20 0 HEADRO CCOC(=O)C1=C(CN2CC[N@H+](C)C[C@@H]2C(C)C)NC(=O)N[C@H]1c1ccccc1 ZINC000746461976 1079014727 /nfs/dbraw/zinc/01/47/27/1079014727.db2.gz ILHAGJUDDJHDDC-QUCCMNQESA-N 1 0 400.523 2.130 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C)C1 ZINC000746469310 1079018632 /nfs/dbraw/zinc/01/86/32/1079018632.db2.gz BCUSEBWBESGSMI-CJNGLKHVSA-N 1 0 403.495 2.284 20 0 HEADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000770794365 1079019267 /nfs/dbraw/zinc/01/92/67/1079019267.db2.gz HWFIKAPFLKICHD-UHFFFAOYSA-N 1 0 423.521 2.162 20 0 HEADRO Cc1nc(CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)nc2ccccc12 ZINC000804288616 1079022175 /nfs/dbraw/zinc/02/21/75/1079022175.db2.gz ZGZQDGJQWDLPJW-UHFFFAOYSA-N 1 0 405.502 2.275 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000770799547 1079022286 /nfs/dbraw/zinc/02/22/86/1079022286.db2.gz DTNJKWCHPLHALZ-CYBMUJFWSA-N 1 0 418.485 2.379 20 0 HEADRO CCCCN(C)c1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000770800456 1079022655 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1 0 415.925 2.452 20 0 HEADRO COC(=O)c1cc(I)c(Cl)cc1-n1cc(CC[NH3+])cn1 ZINC001168946699 1079083206 /nfs/dbraw/zinc/08/32/06/1079083206.db2.gz PFNSGOPCSQKRLU-UHFFFAOYSA-N 1 0 405.623 2.418 20 0 HEADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C(=O)c4cccnc4)CC3)CC2=O)cc1 ZINC001168948622 1079084171 /nfs/dbraw/zinc/08/41/71/1079084171.db2.gz TZCJVQLSSKSFGM-HXUWFJFHSA-N 1 0 408.502 2.039 20 0 HEADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)CC1 ZINC000766543098 1079084428 /nfs/dbraw/zinc/08/44/28/1079084428.db2.gz CTPHRZDSKHHJNS-QFIPXVFZSA-N 1 0 417.550 2.398 20 0 HEADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)CC1 ZINC000766543095 1079084457 /nfs/dbraw/zinc/08/44/57/1079084457.db2.gz CTPHRZDSKHHJNS-JOCHJYFZSA-N 1 0 417.550 2.398 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CCc4onc(Cn5ccnc5)c4C3)CC2=O)cc1 ZINC001168928732 1079087191 /nfs/dbraw/zinc/08/71/91/1079087191.db2.gz DOYBSNKIHXIQDB-GOSISDBHSA-N 1 0 421.501 2.477 20 0 HEADRO COc1ccc(CN2CC[C@@H]([N@@H+]3CC[C@]4(CCN4c4ncccn4)C3)CC2=O)cc1 ZINC001168929533 1079088101 /nfs/dbraw/zinc/08/81/01/1079088101.db2.gz JDXALNXJFJVKSS-XXBNENTESA-N 1 0 407.518 2.331 20 0 HEADRO CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[N@@H+]3CC[C@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC001169003440 1079097319 /nfs/dbraw/zinc/09/73/19/1079097319.db2.gz HPVBIJKXCMXDEY-ROUUACIJSA-N 1 0 422.570 2.329 20 0 HEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cn(-c2ccccc2Br)nn1 ZINC000771041769 1079099728 /nfs/dbraw/zinc/09/97/28/1079099728.db2.gz YFMMLJWTMUCNFF-CQSZACIVSA-N 1 0 420.311 2.013 20 0 HEADRO CC(C)CNC(=O)CCC[NH+]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC001169014579 1079099866 /nfs/dbraw/zinc/09/98/66/1079099866.db2.gz NYVZHKWZJYWXMT-JOCHJYFZSA-N 1 0 414.594 2.348 20 0 HEADRO O=C1[C@H](N2CC[NH+](CC3(O)CCSCC3)CC2)CCCN1Cc1ccccc1 ZINC001169014568 1079099885 /nfs/dbraw/zinc/09/98/85/1079099885.db2.gz NPNSLOFFZARTSO-HXUWFJFHSA-N 1 0 403.592 2.053 20 0 HEADRO C[NH+]1CCN(C[C@H](NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)c2ccccc2)CC1 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TUWFNYQFXWEXER-HOTGVXAUSA-N 1 0 410.515 2.221 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@]3(CC(=O)OC)CCCOC3)cc2)CC1 ZINC000771097062 1079150795 /nfs/dbraw/zinc/15/07/95/1079150795.db2.gz NJFOXSLAQOLEPD-OAQYLSRUSA-N 1 0 404.511 2.062 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C1)C2 ZINC001169131801 1079151429 /nfs/dbraw/zinc/15/14/29/1079151429.db2.gz ZNAIYMUKFZMYNJ-PIIMJCKOSA-N 1 0 416.570 2.445 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCN(C3CC3)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170021683 1079154664 /nfs/dbraw/zinc/15/46/64/1079154664.db2.gz IVFMLGNJDRUPJW-WMZOPIPTSA-N 1 0 424.611 2.114 20 0 HEADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)CCO1 ZINC000766609619 1079164137 /nfs/dbraw/zinc/16/41/37/1079164137.db2.gz XZBLDZBNJZHVFV-GOSISDBHSA-N 1 0 414.550 2.327 20 0 HEADRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cc3cccc(NS(C)(=O)=O)c3)C2)c1 ZINC001169149312 1079165680 /nfs/dbraw/zinc/16/56/80/1079165680.db2.gz JPQMMNCAJLMROR-FQEVSTJZSA-N 1 0 401.532 2.300 20 0 HEADRO 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 1079167375 /nfs/dbraw/zinc/16/73/75/1079167375.db2.gz WDXXRYLQUIXTTA-YDHSSHFGSA-N 1 0 417.550 2.446 20 0 HEADRO O[C@H](C[NH+]1CCC(Oc2cccc(Br)c2)CC1)C[C@]1(O)CCOC1 ZINC001169154803 1079168133 /nfs/dbraw/zinc/16/81/33/1079168133.db2.gz ZANDYDGQCBUGQA-MAUKXSAKSA-N 1 0 400.313 2.195 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCOc2ccccc21 ZINC001169161529 1079170540 /nfs/dbraw/zinc/17/05/40/1079170540.db2.gz DONDQFWFWFUUSN-DOTOQJQBSA-N 1 0 411.506 2.106 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc(F)ccc1F ZINC001169161822 1079171018 /nfs/dbraw/zinc/17/10/18/1079171018.db2.gz GVEAGFHIQDHXQF-CYBMUJFWSA-N 1 0 405.449 2.061 20 0 HEADRO Cc1cc(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1F ZINC001169162693 1079171878 /nfs/dbraw/zinc/17/18/78/1079171878.db2.gz OMWRZVSYPOZPOD-OAHLLOKOSA-N 1 0 401.486 2.230 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](C)c1ccccc1F ZINC001169162718 1079171937 /nfs/dbraw/zinc/17/19/37/1079171937.db2.gz OYXIQCSRPKDGAF-HUUCEWRRSA-N 1 0 401.486 2.482 20 0 HEADRO Cc1ccc(CC[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1C ZINC001169163884 1079172550 /nfs/dbraw/zinc/17/25/50/1079172550.db2.gz SQFJRVUHEPQSKV-SFHVURJKSA-N 1 0 411.550 2.442 20 0 HEADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000766612479 1079174296 /nfs/dbraw/zinc/17/42/96/1079174296.db2.gz GAYZFCYKFWEAJG-QGZVFWFLSA-N 1 0 408.564 2.494 20 0 HEADRO Cc1nc(CN2CCO[C@H]3CN([C@@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC[C@H]3C2=O)cs1 ZINC001169140537 1079177142 /nfs/dbraw/zinc/17/71/42/1079177142.db2.gz RMCZHHIEDJUVQH-IVDHNXQLSA-N 1 0 404.580 2.126 20 0 HEADRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](C[C@H](O)CC2(O)CCOCC2)C1)C1CCCC1 ZINC001169187631 1079177626 /nfs/dbraw/zinc/17/76/26/1079177626.db2.gz JIDYBZHDVAHLFO-ZWKOTPCHSA-N 1 0 420.554 2.010 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2sccc2C1 ZINC001169193341 1079180222 /nfs/dbraw/zinc/18/02/22/1079180222.db2.gz RSTWEOKCQKYGPG-CQSZACIVSA-N 1 0 401.536 2.112 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCc2ccccc2C1 ZINC001169172632 1079187341 /nfs/dbraw/zinc/18/73/41/1079187341.db2.gz RPKXWZIJUUTZNR-APWZRJJASA-N 1 0 409.534 2.140 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1ccc(F)c(F)c1 ZINC001169175393 1079190107 /nfs/dbraw/zinc/19/01/07/1079190107.db2.gz LYKHDNGDEJOFGF-AWEZNQCLSA-N 1 0 419.476 2.103 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](CF)c1ccccc1 ZINC001169175091 1079189230 /nfs/dbraw/zinc/18/92/30/1079189230.db2.gz KKHACPJLPYTSHW-DOTOQJQBSA-N 1 0 401.486 2.293 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1csc(Cl)c1 ZINC001169181276 1079193965 /nfs/dbraw/zinc/19/39/65/1079193965.db2.gz NSXORGZAXNEVBC-GFCCVEGCSA-N 1 0 409.943 2.497 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1nc2ccccc2o1 ZINC001169206240 1079194876 /nfs/dbraw/zinc/19/48/76/1079194876.db2.gz HXPLHOFJZPZPNN-HNNXBMFYSA-N 1 0 424.505 2.266 20 0 HEADRO Cc1ccnc(CC[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)c1 ZINC001170023145 1079194961 /nfs/dbraw/zinc/19/49/61/1079194961.db2.gz VFIFEDKSTXHEMC-MSOLQXFVSA-N 1 0 420.579 2.433 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1ccc(F)cc1F ZINC001169214177 1079198185 /nfs/dbraw/zinc/19/81/85/1079198185.db2.gz XUYNYBJCRKNSQA-AWEZNQCLSA-N 1 0 419.476 2.403 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000766642723 1079205415 /nfs/dbraw/zinc/20/54/15/1079205415.db2.gz BQFKMQLZJWILCD-HBMCJLEFSA-N 1 0 415.534 2.093 20 0 HEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771175044 1079210011 /nfs/dbraw/zinc/21/00/11/1079210011.db2.gz KJKPOYKJDJOFJE-VLIAUNLRSA-N 1 0 424.904 2.237 20 0 HEADRO C[NH+](C)CCOCCNC(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000771176840 1079210400 /nfs/dbraw/zinc/21/04/00/1079210400.db2.gz ZYSSIJKHRXMDCL-UHFFFAOYSA-N 1 0 407.515 2.075 20 0 HEADRO CCOC(=O)c1cnn(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1C(F)F ZINC000771176860 1079210462 /nfs/dbraw/zinc/21/04/62/1079210462.db2.gz WLZAGHPLXSANRY-UHFFFAOYSA-N 1 0 413.513 2.445 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)c3cc(C)n(-c4nc(C)cc(C)n4)n3)CC[NH2+]2)c1 ZINC001169260217 1079214479 /nfs/dbraw/zinc/21/44/79/1079214479.db2.gz FXEXMUORMXTQPE-IBGZPJMESA-N 1 0 420.517 2.253 20 0 HEADRO CNC(=O)[C@H](CCCC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1)NC(C)=O ZINC001169293201 1079222460 /nfs/dbraw/zinc/22/24/60/1079222460.db2.gz LRAGFETYVUTIFI-MHJFOBGBSA-N 1 0 403.523 2.165 20 0 HEADRO C[C@@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CCO1 ZINC000771239063 1079222491 /nfs/dbraw/zinc/22/24/91/1079222491.db2.gz KXQFJAMEGCKJDD-SJORKVTESA-N 1 0 402.539 2.087 20 0 HEADRO CC(=O)Oc1cc2cc(-n3nncc3C[NH3+])c(OC(C)=O)cc2cc1Br ZINC001169312181 1079224429 /nfs/dbraw/zinc/22/44/29/1079224429.db2.gz QJUPJMMVUSSAFH-UHFFFAOYSA-N 1 0 419.235 2.492 20 0 HEADRO CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H](C)[C@@H]1OC ZINC000771243797 1079224539 /nfs/dbraw/zinc/22/45/39/1079224539.db2.gz MUBNFPGACSYPJL-AHRSYUTCSA-N 1 0 416.566 2.333 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@@](O)(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)C1 ZINC001169315038 1079225868 /nfs/dbraw/zinc/22/58/68/1079225868.db2.gz CNWHMRGHJGCVQG-HSZRJFAPSA-N 1 0 415.534 2.094 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2I)CO1 ZINC001169320102 1079226118 /nfs/dbraw/zinc/22/61/18/1079226118.db2.gz ITUOIZDTTALUPA-CQDKDKBSSA-N 1 0 419.259 2.025 20 0 HEADRO Cc1cc(C(=O)NC2CCN(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)CC2)no1 ZINC000062485805 1079232615 /nfs/dbraw/zinc/23/26/15/1079232615.db2.gz OVCSAMZGTLBMNF-KRWDZBQOSA-N 1 0 405.524 2.251 20 0 HEADRO CC(=O)N1CCOC[C@@]2(C[N@@H+](C3CCC(OC(=O)c4ccccc4)CC3)CCO2)C1 ZINC001169297294 1079227622 /nfs/dbraw/zinc/22/76/22/1079227622.db2.gz INQGOMYCYLTCEZ-BBHUYCHWSA-N 1 0 416.518 2.104 20 0 HEADRO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2C2CCC(OC(=O)c3ccccc3)CC2)O1 ZINC001169297521 1079227754 /nfs/dbraw/zinc/22/77/54/1079227754.db2.gz QMDKVLXHLOTMHT-BFGFKNPTSA-N 1 0 416.518 2.149 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1)C(C)C ZINC000771219207 1079233015 /nfs/dbraw/zinc/23/30/15/1079233015.db2.gz FKGAUSQTOQTNGY-KRWDZBQOSA-N 1 0 402.539 2.344 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC000771219208 1079233239 /nfs/dbraw/zinc/23/32/39/1079233239.db2.gz FKGAUSQTOQTNGY-QGZVFWFLSA-N 1 0 402.539 2.344 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C(C)C ZINC000771220171 1079234194 /nfs/dbraw/zinc/23/41/94/1079234194.db2.gz NEJMIAAYJXUACD-SFHVURJKSA-N 1 0 412.534 2.358 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)nc2)C1 ZINC000771221340 1079234963 /nfs/dbraw/zinc/23/49/63/1079234963.db2.gz HEUWENJKBPSUTD-CQSZACIVSA-N 1 0 416.494 2.294 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H](N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)CO1 ZINC001169344065 1079240567 /nfs/dbraw/zinc/24/05/67/1079240567.db2.gz SGFLIHKTSPOOMY-LPHOPBHVSA-N 1 0 411.506 2.375 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3C(=O)OC)CC2)CO1 ZINC001169351905 1079248317 /nfs/dbraw/zinc/24/83/17/1079248317.db2.gz NXYWOQJRUVNARR-ICSRJNTNSA-N 1 0 404.507 2.138 20 0 HEADRO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2C[NH+](C)C)C1=O ZINC000771262906 1079252152 /nfs/dbraw/zinc/25/21/52/1079252152.db2.gz GPGSDIUJIXGHTF-QHCPKHFHSA-N 1 0 424.501 2.471 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)CO1 ZINC001169384187 1079255017 /nfs/dbraw/zinc/25/50/17/1079255017.db2.gz DVHHUNYOMDWCOT-FCIYXJNOSA-N 1 0 404.507 2.332 20 0 HEADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(C[NH+](C)C)c2)C1=O ZINC000771277924 1079264724 /nfs/dbraw/zinc/26/47/24/1079264724.db2.gz WSGDTMKSDBRYSX-QFIPXVFZSA-N 1 0 410.474 2.163 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCCN3Cc2c(C)noc2C)CO1 ZINC001169384649 1079257080 /nfs/dbraw/zinc/25/70/80/1079257080.db2.gz HBMMADMDRJLMCG-ICSRJNTNSA-N 1 0 421.538 2.069 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)CO1 ZINC001169390482 1079260227 /nfs/dbraw/zinc/26/02/27/1079260227.db2.gz VQHVVPIQEJVUJS-VWNVYAMZSA-N 1 0 404.507 2.442 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)CO1 ZINC001169391921 1079261789 /nfs/dbraw/zinc/26/17/89/1079261789.db2.gz LUPPGVLLTJVZAE-ONUIULTDSA-N 1 0 411.539 2.162 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCc3nc(C(=O)NCC(C)C)sc3CC2)CO1 ZINC001169391938 1079261816 /nfs/dbraw/zinc/26/18/16/1079261816.db2.gz LXRSZNOPABWTJU-GOEBONIOSA-N 1 0 409.552 2.040 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(C2)COCCN(c2ncccc2F)C3)CO1 ZINC001169391796 1079261845 /nfs/dbraw/zinc/26/18/45/1079261845.db2.gz KDNJDDXLMAGQMQ-LQBOVUBWSA-N 1 0 421.513 2.250 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)CO1 ZINC001169397992 1079271271 /nfs/dbraw/zinc/27/12/71/1079271271.db2.gz PERHHKPWPIDREL-IPJJNNNSSA-N 1 0 401.507 2.149 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CCN(Cc4cccc(OC)c4)C3=O)C2)CO1 ZINC001169400159 1079274063 /nfs/dbraw/zinc/27/40/63/1079274063.db2.gz XWPCGHHCARDFSE-GREBRCKQSA-N 1 0 416.518 2.230 20 0 HEADRO C[NH+]1CCN(C[C@H](NC(=O)CNC(=O)c2ccccc2Cl)c2ccccc2)CC1 ZINC000110780124 1079265609 /nfs/dbraw/zinc/26/56/09/1079265609.db2.gz USTMFCOHRMRJSV-FQEVSTJZSA-N 1 0 414.937 2.175 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)CO1 ZINC001169395469 1079267968 /nfs/dbraw/zinc/26/79/68/1079267968.db2.gz JITQKFPNVGTZRX-RDJZCZTQSA-N 1 0 407.536 2.182 20 0 HEADRO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(CC[NH+](C)C)c2ccccc2)C1=O ZINC000771312512 1079279292 /nfs/dbraw/zinc/27/92/92/1079279292.db2.gz OHYSZGUKSJXCMA-HSZRJFAPSA-N 1 0 424.501 2.057 20 0 HEADRO CC(C)[C@@H](CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000771324771 1079287714 /nfs/dbraw/zinc/28/77/14/1079287714.db2.gz SKJPFXVITVWIMF-QGZVFWFLSA-N 1 0 413.607 2.251 20 0 HEADRO CC(C)[C@H](CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000771324769 1079287840 /nfs/dbraw/zinc/28/78/40/1079287840.db2.gz SKJPFXVITVWIMF-KRWDZBQOSA-N 1 0 413.607 2.251 20 0 HEADRO COC(=O)C1=C(C)O[C@H](C[N@H+](C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC001169441956 1079292686 /nfs/dbraw/zinc/29/26/86/1079292686.db2.gz UZCILAIJLJEFAA-KSSFIOAISA-N 1 0 408.520 2.455 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C(=O)OC)cc2)CC1 ZINC001169447639 1079296877 /nfs/dbraw/zinc/29/68/77/1079296877.db2.gz VPLWUNDYGRGFSJ-MRXNPFEDSA-N 1 0 403.523 2.314 20 0 HEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC2CCC(O)(c3cccnc3)CC2)CC1 ZINC000771353853 1079301833 /nfs/dbraw/zinc/30/18/33/1079301833.db2.gz YWLHDLNZQGIKOH-WQMHRJNTSA-N 1 0 415.582 2.023 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CC1 ZINC001169484862 1079305174 /nfs/dbraw/zinc/30/51/74/1079305174.db2.gz QHSNUAMURGDUQI-CRAIPNDOSA-N 1 0 413.559 2.412 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1C[C@@H](C(=O)N(C)Cc2ccccn2)C[C@H]2OCC[C@H]21 ZINC001169468244 1079308684 /nfs/dbraw/zinc/30/86/84/1079308684.db2.gz VUGUPHLQXNMSNK-FMWKFLBASA-N 1 0 416.566 2.166 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCO[C@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001169470894 1079310285 /nfs/dbraw/zinc/31/02/85/1079310285.db2.gz IMUJRXZBXNVIJI-LAUBAEHRSA-N 1 0 424.611 2.002 20 0 HEADRO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)CC1 ZINC001169471744 1079310623 /nfs/dbraw/zinc/31/06/23/1079310623.db2.gz ADSLCHZXYRHTQH-HBMCJLEFSA-N 1 0 419.591 2.185 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC(=O)NCc3ccco3)OC[C@H]2C1 ZINC001169474351 1079311899 /nfs/dbraw/zinc/31/18/99/1079311899.db2.gz XWTNULBZRYUPPM-ONCXSQPRSA-N 1 0 405.539 2.270 20 0 HEADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)C(=O)C1 ZINC001169474589 1079312035 /nfs/dbraw/zinc/31/20/35/1079312035.db2.gz RYVUAVKAWKFESG-MRXNPFEDSA-N 1 0 415.494 2.267 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)c1cccnc1)CCO2 ZINC001169474421 1079312345 /nfs/dbraw/zinc/31/23/45/1079312345.db2.gz JOXXHKBIOVUBJV-SFHVURJKSA-N 1 0 402.539 2.036 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001169474718 1079312543 /nfs/dbraw/zinc/31/25/43/1079312543.db2.gz ZQSBLLQQOPCPMB-MRXNPFEDSA-N 1 0 400.571 2.338 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCC[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 ZINC001169487519 1079319911 /nfs/dbraw/zinc/31/99/11/1079319911.db2.gz SNRGVFILBLLKAB-JZXOWHBKSA-N 1 0 413.559 2.412 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000771394557 1079320367 /nfs/dbraw/zinc/32/03/67/1079320367.db2.gz XBTGYFRMCIPBGD-IBGZPJMESA-N 1 0 423.602 2.055 20 0 HEADRO 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HEADRO Cc1cccc(OC[C@H](O)C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000738881487 1076021130 /nfs/dbraw/zinc/02/11/30/1076021130.db2.gz JHWQBUXVWDLDMY-LJQANCHMSA-N 1 0 407.555 2.219 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CCCCCn1nnc(-c3ccccc3)n1)CC2 ZINC000771780472 1079502603 /nfs/dbraw/zinc/50/26/03/1079502603.db2.gz NSHPAMHZDVLVDM-UHFFFAOYSA-N 1 0 412.494 2.294 20 0 HEADRO COC(=O)Nc1ccc(CCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000739023294 1076031379 /nfs/dbraw/zinc/03/13/79/1076031379.db2.gz MAEGOUAPLIKSPQ-LJQANCHMSA-N 1 0 404.511 2.350 20 0 HEADRO COCC1CCN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000739084637 1076038852 /nfs/dbraw/zinc/03/88/52/1076038852.db2.gz GKNFYNZVGGYSJW-UHFFFAOYSA-N 1 0 416.566 2.288 20 0 HEADRO CC[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739091279 1076044020 /nfs/dbraw/zinc/04/40/20/1076044020.db2.gz VQWMNMDQOOYEJD-LJQANCHMSA-N 1 0 402.539 2.041 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)cc1F ZINC000739120151 1076046917 /nfs/dbraw/zinc/04/69/17/1076046917.db2.gz ODEGWPZPRWSTTD-CQSZACIVSA-N 1 0 408.449 2.339 20 0 HEADRO O=C(Nc1cccc(CN2CCOC2=O)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000739121758 1076047352 /nfs/dbraw/zinc/04/73/52/1076047352.db2.gz XSINROUJGDRCFC-LJQANCHMSA-N 1 0 414.506 2.054 20 0 HEADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000739459863 1076062578 /nfs/dbraw/zinc/06/25/78/1076062578.db2.gz YYUXGVGJKOFPDG-CQSZACIVSA-N 1 0 401.960 2.197 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)ccn2)CC1 ZINC000739698604 1076073591 /nfs/dbraw/zinc/07/35/91/1076073591.db2.gz KIMDOQMXHGDHBM-QZTJIDSGSA-N 1 0 417.554 2.143 20 0 HEADRO O=C(c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739787925 1076075161 /nfs/dbraw/zinc/07/51/61/1076075161.db2.gz LIDXREKVFODZKF-MRXNPFEDSA-N 1 0 409.527 2.168 20 0 HEADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Br ZINC000739788625 1076075199 /nfs/dbraw/zinc/07/51/99/1076075199.db2.gz QZHKMFUGFFDVKA-ZDUSSCGKSA-N 1 0 415.353 2.411 20 0 HEADRO O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739787127 1076082182 /nfs/dbraw/zinc/08/21/82/1076082182.db2.gz DIXYNBLBZKJIOU-HNNXBMFYSA-N 1 0 411.955 2.438 20 0 HEADRO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000739875950 1076085198 /nfs/dbraw/zinc/08/51/98/1076085198.db2.gz KCKDZXBLQTYTKH-VGSWGCGISA-N 1 0 400.523 2.228 20 0 HEADRO O=c1c(Br)c(Br)cnn1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739876949 1076085278 /nfs/dbraw/zinc/08/52/78/1076085278.db2.gz WQLCLIHCZSCTIM-NSHDSACASA-N 1 0 420.149 2.144 20 0 HEADRO CN(C1CCOCC1)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739964100 1076088852 /nfs/dbraw/zinc/08/88/52/1076088852.db2.gz SGISDWASPOHWHW-MRXNPFEDSA-N 1 0 421.485 2.225 20 0 HEADRO CN1CC[N@H+](CCCNC(=O)NC[C@H](O)c2ccsc2)[C@@H](c2ccccc2)C1 ZINC000740033659 1076097389 /nfs/dbraw/zinc/09/73/89/1076097389.db2.gz MQKNVHZDCXSDIW-UXHICEINSA-N 1 0 402.564 2.460 20 0 HEADRO CCOC(=O)C1=C(CN2C[C@H](C)[N@H+](CC)C[C@H]2C)NC(=O)N[C@@H]1c1ccccc1 ZINC000766252672 1076161040 /nfs/dbraw/zinc/16/10/40/1076161040.db2.gz UJSWQTPKTSTNTL-RZQQEMMASA-N 1 0 400.523 2.272 20 0 HEADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)N2CCS(=O)CC2)cc1 ZINC000740449600 1076166550 /nfs/dbraw/zinc/16/65/50/1076166550.db2.gz YZOIZBCMJYGFSP-UHFFFAOYSA-N 1 0 406.552 2.487 20 0 HEADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000740480625 1076169330 /nfs/dbraw/zinc/16/93/30/1076169330.db2.gz BHIXVBDTEMJBFP-RTBURBONSA-N 1 0 420.941 2.388 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)C[NH+]1CCCCC1 ZINC000740496770 1076174538 /nfs/dbraw/zinc/17/45/38/1076174538.db2.gz ZJPBGZIOUDFSDD-ROUUACIJSA-N 1 0 402.539 2.088 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)C[NH+]1CCCCC1 ZINC000740496768 1076174642 /nfs/dbraw/zinc/17/46/42/1076174642.db2.gz ZJPBGZIOUDFSDD-QZTJIDSGSA-N 1 0 402.539 2.088 20 0 HEADRO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000740684930 1076224232 /nfs/dbraw/zinc/22/42/32/1076224232.db2.gz VTVILUZLEKJMCN-OAQYLSRUSA-N 1 0 408.502 2.322 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000740740469 1076229702 /nfs/dbraw/zinc/22/97/02/1076229702.db2.gz RHWHLXWSFYATGE-IBGZPJMESA-N 1 0 403.523 2.357 20 0 HEADRO CC(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)CC2)c(F)c1 ZINC000740748874 1076233489 /nfs/dbraw/zinc/23/34/89/1076233489.db2.gz BPRWWJZKJSVGNG-NRFANRHFSA-N 1 0 405.514 2.470 20 0 HEADRO CS(=O)(=O)[C@H]1CCC[C@@H](NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000740770229 1076236001 /nfs/dbraw/zinc/23/60/01/1076236001.db2.gz IEEGKTPCFKTDNB-MOPGFXCFSA-N 1 0 409.621 2.471 20 0 HEADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000740823601 1076247222 /nfs/dbraw/zinc/24/72/22/1076247222.db2.gz CPMSMDFUVQZTTC-UHFFFAOYSA-N 1 0 411.474 2.211 20 0 HEADRO C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740827170 1076249734 /nfs/dbraw/zinc/24/97/34/1076249734.db2.gz DETQLKLCRORRME-AEFFLSMTSA-N 1 0 417.554 2.209 20 0 HEADRO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCCC[C@H]3C(=O)N3CCOCC3)ccc12 ZINC000740875660 1076277665 /nfs/dbraw/zinc/27/76/65/1076277665.db2.gz BWVPPNSWNQBYJT-IBGZPJMESA-N 1 0 400.475 2.194 20 0 HEADRO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000740879476 1076279298 /nfs/dbraw/zinc/27/92/98/1076279298.db2.gz LAIFOMVZVSEXGR-HLLBOEOZSA-N 1 0 411.543 2.022 20 0 HEADRO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000740882379 1076281178 /nfs/dbraw/zinc/28/11/78/1076281178.db2.gz MAYPMOXUGYGALF-RDJZCZTQSA-N 1 0 411.543 2.023 20 0 HEADRO CCOC(=O)C1=C(CN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)NC(=O)N[C@H]1c1ccco1 ZINC000740883097 1076283152 /nfs/dbraw/zinc/28/31/52/1076283152.db2.gz NBFKLUOGOZTSBV-CLCXKQKWSA-N 1 0 404.511 2.255 20 0 HEADRO CCOC(=O)C1=C(CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000740883099 1076283278 /nfs/dbraw/zinc/28/32/78/1076283278.db2.gz NBFKLUOGOZTSBV-QMTMVMCOSA-N 1 0 404.511 2.255 20 0 HEADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000740888782 1076290175 /nfs/dbraw/zinc/29/01/75/1076290175.db2.gz UMFVWHDXNKNMHT-IBGZPJMESA-N 1 0 401.551 2.385 20 0 HEADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000740891968 1076293316 /nfs/dbraw/zinc/29/33/16/1076293316.db2.gz ZRLWTZMFMSYFGM-KRWDZBQOSA-N 1 0 403.504 2.094 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](CCO)c1ccccc1 ZINC000740899166 1076296462 /nfs/dbraw/zinc/29/64/62/1076296462.db2.gz VEWJYDJGMJERRD-DLBZAZTESA-N 1 0 411.955 2.460 20 0 HEADRO COCCC[NH+]1CCC(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000740917691 1076304414 /nfs/dbraw/zinc/30/44/14/1076304414.db2.gz QNYZVIOZJCSIOP-WMZOPIPTSA-N 1 0 412.575 2.432 20 0 HEADRO COc1ccc([C@@H](CNC(=O)COC(=O)/C=C/c2cnccn2)[NH+]2CCCCC2)cc1 ZINC000740966094 1076314688 /nfs/dbraw/zinc/31/46/88/1076314688.db2.gz RCQKQZMTRVPAQU-TYOLEZHBSA-N 1 0 424.501 2.385 20 0 HEADRO CC(C)CCn1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000740990246 1076320574 /nfs/dbraw/zinc/32/05/74/1076320574.db2.gz SXPDCNLGKLYJRQ-MJGOQNOKSA-N 1 0 413.522 2.260 20 0 HEADRO C[C@H](OC(=O)[C@@H](O)CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000741007881 1076326340 /nfs/dbraw/zinc/32/63/40/1076326340.db2.gz XNGTYVNTTAKSSL-BWAGFHJFSA-N 1 0 410.514 2.303 20 0 HEADRO CC(C)[C@H](C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1)[NH+]1CCCCC1 ZINC000741011746 1076327492 /nfs/dbraw/zinc/32/74/92/1076327492.db2.gz RFRNGCXLAYVYRX-LJQANCHMSA-N 1 0 412.552 2.369 20 0 HEADRO CCOC(=O)C1=C(COC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)NC(=O)N[C@H]1c1ccco1 ZINC000741021120 1076339642 /nfs/dbraw/zinc/33/96/42/1076339642.db2.gz OEKDFWVUCNRVFW-AHXJXLJNSA-N 1 0 419.478 2.255 20 0 HEADRO C[N@H+](CCCO)C1CCN(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000741085230 1076349514 /nfs/dbraw/zinc/34/95/14/1076349514.db2.gz NKXOXTGTFKTXOK-UHFFFAOYSA-N 1 0 412.575 2.122 20 0 HEADRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)NC3CC[NH+](CCOC)CC3)ccc2NC1=O ZINC000466748648 1076349740 /nfs/dbraw/zinc/34/97/40/1076349740.db2.gz ANVPXSLBFQEACC-KSSFIOAISA-N 1 0 404.511 2.267 20 0 HEADRO C[C@](O)(CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccsc1 ZINC000741085979 1076350047 /nfs/dbraw/zinc/35/00/47/1076350047.db2.gz AMNWKKXLDPGZRN-NRFANRHFSA-N 1 0 403.548 2.412 20 0 HEADRO COc1ccccc1[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1nccn1C ZINC000741077323 1076355208 /nfs/dbraw/zinc/35/52/08/1076355208.db2.gz OPJYARDUPVHPNG-FQEVSTJZSA-N 1 0 415.538 2.006 20 0 HEADRO C[C@](O)(CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000741106696 1076359114 /nfs/dbraw/zinc/35/91/14/1076359114.db2.gz VRKSKCMJYISXEK-NRFANRHFSA-N 1 0 401.532 2.349 20 0 HEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000741108477 1076361691 /nfs/dbraw/zinc/36/16/91/1076361691.db2.gz GXJGYORYRWHBFN-GOSISDBHSA-N 1 0 418.501 2.329 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)CCC(C)C)cc2)CC1 ZINC000741104415 1076376945 /nfs/dbraw/zinc/37/69/45/1076376945.db2.gz BRCLGJNTMOPHOY-JOCHJYFZSA-N 1 0 404.555 2.070 20 0 HEADRO COc1ccc([C@@H]2[C@H](COC(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC[N@@H+]2C)cc1 ZINC000741123614 1076380158 /nfs/dbraw/zinc/38/01/58/1076380158.db2.gz HMJAUHAQFOCLTJ-YTQUADARSA-N 1 0 410.536 2.045 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)C1 ZINC000741156800 1076389600 /nfs/dbraw/zinc/38/96/00/1076389600.db2.gz FIXYUYKTUPUNHR-HXUWFJFHSA-N 1 0 416.566 2.177 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000741221680 1076410415 /nfs/dbraw/zinc/41/04/15/1076410415.db2.gz BPAOGESFKQQBOE-APWZRJJASA-N 1 0 414.424 2.232 20 0 HEADRO CCN1CC[NH+](CCCCNC(=O)NC[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000741267847 1076437365 /nfs/dbraw/zinc/43/73/65/1076437365.db2.gz DGFBVGOVDOZPJD-KRWDZBQOSA-N 1 0 400.926 2.229 20 0 HEADRO CCO[C@H]1C[C@H](O)C12CCN(C(=O)Nc1ccccc1N1CC[NH+](C)CC1)CC2 ZINC000741262263 1076448790 /nfs/dbraw/zinc/44/87/90/1076448790.db2.gz FSBKOPWTBZEKED-PMACEKPBSA-N 1 0 402.539 2.222 20 0 HEADRO Cn1cc(N2CC[C@H](OC(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)C2=O)cn1 ZINC000741323477 1076471081 /nfs/dbraw/zinc/47/10/81/1076471081.db2.gz ALWTZNVMPLNIJC-LPHOPBHVSA-N 1 0 400.454 2.120 20 0 HEADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)N3CCO[C@@H]4CCCC[C@H]43)cc2)CC1 ZINC000741340974 1076473320 /nfs/dbraw/zinc/47/33/20/1076473320.db2.gz LKNNGTLILZFORD-NHCUHLMSSA-N 1 0 415.534 2.155 20 0 HEADRO O=C(COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)NC(=O)NCc1ccco1 ZINC000741326172 1076476932 /nfs/dbraw/zinc/47/69/32/1076476932.db2.gz LCUIDGJRKZPHGI-INIZCTEOSA-N 1 0 417.437 2.200 20 0 HEADRO O=C(NCc1ccc(N2CCCC2=O)cc1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741404446 1076512183 /nfs/dbraw/zinc/51/21/83/1076512183.db2.gz CLECQEBDVQXYLH-DEOSSOPVSA-N 1 0 422.529 2.250 20 0 HEADRO CCN(CCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000741406304 1076512418 /nfs/dbraw/zinc/51/24/18/1076512418.db2.gz ATOKJAYWNJXAJF-JOCHJYFZSA-N 1 0 420.554 2.180 20 0 HEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000741428790 1076521730 /nfs/dbraw/zinc/52/17/30/1076521730.db2.gz XIRRAOLRPBNONN-RTBURBONSA-N 1 0 423.602 2.101 20 0 HEADRO CN(C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)[C@@H]1CCC[N@H+](C)C1 ZINC000741625271 1076570031 /nfs/dbraw/zinc/57/00/31/1076570031.db2.gz NDLQEMBMSPSRQR-MRXNPFEDSA-N 1 0 406.531 2.016 20 0 HEADRO CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)[C@H]1CCC[N@H+](C)C1 ZINC000741626953 1076570950 /nfs/dbraw/zinc/57/09/50/1076570950.db2.gz YSMZGDNLDFPVIY-CVDCTZTESA-N 1 0 408.502 2.159 20 0 HEADRO CC(C)c1ccc(N2CC[C@@H](C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000741691207 1076588076 /nfs/dbraw/zinc/58/80/76/1076588076.db2.gz KMHUYEPDKKWBLE-RXVVDRJESA-N 1 0 400.567 2.163 20 0 HEADRO 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COc1ccc([C@H](NC(=S)NCC[NH+](C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000743027117 1076930375 /nfs/dbraw/zinc/93/03/75/1076930375.db2.gz NJUFWOCHBKNMRD-IBGZPJMESA-N 1 0 421.588 2.214 20 0 HEADRO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000743164750 1076982835 /nfs/dbraw/zinc/98/28/35/1076982835.db2.gz YZXGDKHDBUUZIL-KBPBESRZSA-N 1 0 420.457 2.276 20 0 HEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccn(Cc4ccccn4)n3)cc2)CC1 ZINC000743168054 1076986360 /nfs/dbraw/zinc/98/63/60/1076986360.db2.gz ZQKYLMQBIDJPNH-UHFFFAOYSA-N 1 0 419.533 2.396 20 0 HEADRO C[C@H]1CN(c2ccc(NC(=O)NCc3cccnc3N3CC[NH+](C)CC3)cc2)CCO1 ZINC000743169916 1076986397 /nfs/dbraw/zinc/98/63/97/1076986397.db2.gz LGAUXKOYEMITOX-SFHVURJKSA-N 1 0 424.549 2.380 20 0 HEADRO CC(C)[C@H](CNC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1)[NH+]1CCN(C)CC1 ZINC000743171374 1076987337 /nfs/dbraw/zinc/98/73/37/1076987337.db2.gz QPQANZJQOWBTIE-NQIIRXRSSA-N 1 0 403.571 2.305 20 0 HEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1ccn(Cc2ccccn2)n1 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NOZPMWLDNAKOAX-QGZVFWFLSA-N 1 0 418.494 2.417 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000743239864 1077011798 /nfs/dbraw/zinc/01/17/98/1077011798.db2.gz IBTGLAQHEHJBSA-UHFFFAOYSA-N 1 0 424.505 2.420 20 0 HEADRO Cc1c(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cccc1N1CCOC1=O ZINC000743243601 1077012830 /nfs/dbraw/zinc/01/28/30/1077012830.db2.gz JVWAYIFRDGXNIE-UHFFFAOYSA-N 1 0 424.505 2.420 20 0 HEADRO CCOC(=O)N1CCC([NH2+]CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000743250940 1077014346 /nfs/dbraw/zinc/01/43/46/1077014346.db2.gz LVXPBZZYOBMXAE-UHFFFAOYSA-N 1 0 409.483 2.252 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1N[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000743278910 1077015683 /nfs/dbraw/zinc/01/56/83/1077015683.db2.gz IOCACVONCKQRBC-MRXNPFEDSA-N 1 0 405.543 2.119 20 0 HEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000743280100 1077015778 /nfs/dbraw/zinc/01/57/78/1077015778.db2.gz NYXWVIKWPXDGHT-IBGZPJMESA-N 1 0 412.538 2.178 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)C1 ZINC000743390088 1077039650 /nfs/dbraw/zinc/03/96/50/1077039650.db2.gz LTLLPHGRYIXNAA-PGRDOPGGSA-N 1 0 402.539 2.169 20 0 HEADRO CC[NH+](CC)[C@@H]1CCN(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000743393733 1077041100 /nfs/dbraw/zinc/04/11/00/1077041100.db2.gz AOAZWSXFAHVNLK-DQYWGJDHSA-N 1 0 402.539 2.120 20 0 HEADRO C[C@@H]1CN(CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C[C@H](C)S1 ZINC000743376009 1077044255 /nfs/dbraw/zinc/04/42/55/1077044255.db2.gz IPTIYOCGPBUNRQ-LLGFUMIMSA-N 1 0 402.564 2.356 20 0 HEADRO COc1cc2c(c(OC)c1)C(=O)C(=O)N2CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000743378050 1077044890 /nfs/dbraw/zinc/04/48/90/1077044890.db2.gz VPMQSQINJINQSJ-QGZVFWFLSA-N 1 0 409.486 2.397 20 0 HEADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000743409058 1077048172 /nfs/dbraw/zinc/04/81/72/1077048172.db2.gz QYSQPLVTZOZTJK-LJQANCHMSA-N 1 0 400.523 2.235 20 0 HEADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000743485593 1077059180 /nfs/dbraw/zinc/05/91/80/1077059180.db2.gz LWBXNZFLWIYUHJ-AEFFLSMTSA-N 1 0 412.914 2.054 20 0 HEADRO Cc1ccc(N2CC[C@@H](NC(=O)NC3CC[NH+](Cc4ccncc4)CC3)C2=O)cc1 ZINC000743540953 1077070621 /nfs/dbraw/zinc/07/06/21/1077070621.db2.gz AQCZOEZYJKWDNG-OAQYLSRUSA-N 1 0 407.518 2.459 20 0 HEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000743622442 1077076402 /nfs/dbraw/zinc/07/64/02/1077076402.db2.gz GWMDAXGZNDHTED-KURKYZTESA-N 1 0 412.575 2.480 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000743625047 1077076987 /nfs/dbraw/zinc/07/69/87/1077076987.db2.gz VKGMFZBGAFMYEX-KGLIPLIRSA-N 1 0 411.911 2.134 20 0 HEADRO CCN(CC1CCN(c2ccccn2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000743594016 1077077945 /nfs/dbraw/zinc/07/79/45/1077077945.db2.gz LFSGBEINTIDSNL-WOJBJXKFSA-N 1 0 401.555 2.193 20 0 HEADRO CC(C)COC(=O)N1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000743634489 1077084673 /nfs/dbraw/zinc/08/46/73/1077084673.db2.gz UFDRASUSKKZZME-UHFFFAOYSA-N 1 0 402.539 2.205 20 0 HEADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000379555444 1077091579 /nfs/dbraw/zinc/09/15/79/1077091579.db2.gz SLHPUXPRTZVSRZ-DOTOQJQBSA-N 1 0 403.589 2.474 20 0 HEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000804264180 1077097015 /nfs/dbraw/zinc/09/70/15/1077097015.db2.gz GRPKFMARGBUEHQ-GOSISDBHSA-N 1 0 424.586 2.083 20 0 HEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000743764670 1077117314 /nfs/dbraw/zinc/11/73/14/1077117314.db2.gz DHQADKDXXVKVLZ-UNMCSNQZSA-N 1 0 415.440 2.211 20 0 HEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000743765632 1077118584 /nfs/dbraw/zinc/11/85/84/1077118584.db2.gz KTFRQNHXEPBZLZ-DHLKQENFSA-N 1 0 421.541 2.435 20 0 HEADRO CC[NH+](CC)CCOC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000743797945 1077121920 /nfs/dbraw/zinc/12/19/20/1077121920.db2.gz HJIPGAQUCCTODI-UHFFFAOYSA-N 1 0 404.479 2.251 20 0 HEADRO O=C1OCCN1c1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000743858314 1077145208 /nfs/dbraw/zinc/14/52/08/1077145208.db2.gz PQDLTKDCMLMENR-MRXNPFEDSA-N 1 0 412.442 2.170 20 0 HEADRO CC[NH+](CC)C[C@H]1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)C1 ZINC000743862505 1077147065 /nfs/dbraw/zinc/14/70/65/1077147065.db2.gz HYXPMLKUVSKHDJ-DYESRHJHSA-N 1 0 414.550 2.474 20 0 HEADRO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 ZINC000743842712 1077147662 /nfs/dbraw/zinc/14/76/62/1077147662.db2.gz GWKXBXOBOKEVGI-MOPGFXCFSA-N 1 0 405.539 2.381 20 0 HEADRO O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[N@@H+](CCCCCCCO)CC1 ZINC000743844004 1077148770 /nfs/dbraw/zinc/14/87/70/1077148770.db2.gz XOJGGCMPEFXMDJ-UHFFFAOYSA-N 1 0 412.552 2.097 20 0 HEADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000743846421 1077149645 /nfs/dbraw/zinc/14/96/45/1077149645.db2.gz NEBBRYYGTYCYRB-WNHJNPCNSA-N 1 0 405.539 2.069 20 0 HEADRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000743866276 1077151099 /nfs/dbraw/zinc/15/10/99/1077151099.db2.gz BDKWMQREHVUNJM-QGZVFWFLSA-N 1 0 411.568 2.462 20 0 HEADRO CCOC(=O)C1C(CN2CC[C@@H]([NH+](CC)CC)C2)=NC(=O)N[C@H]1c1ccccc1 ZINC000743866259 1077151440 /nfs/dbraw/zinc/15/14/40/1077151440.db2.gz ALDNENNBLKKPCD-XLIONFOSSA-N 1 0 400.523 2.274 20 0 HEADRO COC(=O)CC[N@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)C1CCOCC1 ZINC000743871665 1077155968 /nfs/dbraw/zinc/15/59/68/1077155968.db2.gz QRMXYOSZBMSSCI-UHFFFAOYSA-N 1 0 400.878 2.482 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000743877212 1077159532 /nfs/dbraw/zinc/15/95/32/1077159532.db2.gz LUEBGKCMBNDGDG-LJQANCHMSA-N 1 0 424.501 2.179 20 0 HEADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1N1CCOC1=O ZINC000743885178 1077176074 /nfs/dbraw/zinc/17/60/74/1077176074.db2.gz TXKZMCGMXYOMJY-LSDHHAIUSA-N 1 0 402.495 2.269 20 0 HEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CCCCCCC3)cc2)CC1 ZINC000743886954 1077179863 /nfs/dbraw/zinc/17/98/63/1077179863.db2.gz CQDILTSVDLGCDG-UHFFFAOYSA-N 1 0 402.539 2.044 20 0 HEADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(N2CCOC2=O)ccc1C)[NH+](C)C ZINC000743913642 1077189210 /nfs/dbraw/zinc/18/92/10/1077189210.db2.gz GDQCEMYUCFOSQM-SFHVURJKSA-N 1 0 404.511 2.373 20 0 HEADRO O=C(Nc1ccc(N2CCSCC2)cc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000743891111 1077202235 /nfs/dbraw/zinc/20/22/35/1077202235.db2.gz LJKUNQLCFBOCRY-UHFFFAOYSA-N 1 0 402.564 2.169 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000743894628 1077204608 /nfs/dbraw/zinc/20/46/08/1077204608.db2.gz ROZLQFKDPFEZOF-SFHVURJKSA-N 1 0 402.495 2.127 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000743898221 1077210822 /nfs/dbraw/zinc/21/08/22/1077210822.db2.gz AVILCGQYNGOCPI-INIZCTEOSA-N 1 0 402.495 2.127 20 0 HEADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000743906993 1077221429 /nfs/dbraw/zinc/22/14/29/1077221429.db2.gz LWNMEGIILJOWEC-GOSISDBHSA-N 1 0 414.506 2.367 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)CC1 ZINC000743942110 1077235776 /nfs/dbraw/zinc/23/57/76/1077235776.db2.gz AWIINIXOHUDGSE-KRWDZBQOSA-N 1 0 402.539 2.088 20 0 HEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CN(C)C(=O)OC)cc2)CC1 ZINC000743919121 1077241368 /nfs/dbraw/zinc/24/13/68/1077241368.db2.gz CPWAFCQIIAMDDJ-UHFFFAOYSA-N 1 0 404.511 2.204 20 0 HEADRO C[C@@H](O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000743926635 1077249995 /nfs/dbraw/zinc/24/99/95/1077249995.db2.gz ZSHNRZOFZGZQDB-MRXNPFEDSA-N 1 0 404.555 2.069 20 0 HEADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CC[C@H](SC)C3)cc2)CC1 ZINC000743968790 1077273229 /nfs/dbraw/zinc/27/32/29/1077273229.db2.gz SMDLYDODZOYPSY-OALUTQOASA-N 1 0 404.580 2.163 20 0 HEADRO CSc1nc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc2s1 ZINC000743947105 1077277117 /nfs/dbraw/zinc/27/71/17/1077277117.db2.gz TUXCDFDYIBNKHU-CYBMUJFWSA-N 1 0 420.560 2.137 20 0 HEADRO O=C(Nc1ccc(F)cc1OCC1CC1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743948175 1077277943 /nfs/dbraw/zinc/27/79/43/1077277943.db2.gz YIURSHVATHODPR-SFHVURJKSA-N 1 0 419.497 2.313 20 0 HEADRO COC(=O)N(C)Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000743951694 1077279985 /nfs/dbraw/zinc/27/99/85/1077279985.db2.gz HZVOSQQLXCECNA-GOSISDBHSA-N 1 0 416.522 2.158 20 0 HEADRO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743952379 1077280449 /nfs/dbraw/zinc/28/04/49/1077280449.db2.gz PYDRHAPTANVGHO-OAHLLOKOSA-N 1 0 420.941 2.315 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N(CC)CC)C1 ZINC000743988268 1077281672 /nfs/dbraw/zinc/28/16/72/1077281672.db2.gz NOSSSUJDXAPBHJ-QGZVFWFLSA-N 1 0 402.539 2.297 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000743989264 1077282173 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Cc1c(C(=O)N2CCC[C@H](c3nccn3C)C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000768158581 1080376962 /nfs/dbraw/zinc/37/69/62/1080376962.db2.gz XHBRVOFMHIVPPN-SFHVURJKSA-N 1 0 419.533 2.317 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)C1 ZINC000746571225 1080382115 /nfs/dbraw/zinc/38/21/15/1080382115.db2.gz ULIPAKSRXLULKS-PKOBYXMFSA-N 1 0 405.514 2.446 20 0 HEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)CC1 ZINC000786039139 1080382800 /nfs/dbraw/zinc/38/28/00/1080382800.db2.gz QTONFLMMQRPATI-JXXFODFXSA-N 1 0 420.504 2.475 20 0 HEADRO Cc1cc(NC(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)n(C(C)(C)C)n1 ZINC000786095347 1080390902 /nfs/dbraw/zinc/39/09/02/1080390902.db2.gz CWHUERBSSPIWBX-UHFFFAOYSA-N 1 0 406.527 2.463 20 0 HEADRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768201147 1080392098 /nfs/dbraw/zinc/39/20/98/1080392098.db2.gz UAXCZCLSSOIZAJ-VCOUNFBDSA-N 1 0 414.502 2.442 20 0 HEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768201143 1080392117 /nfs/dbraw/zinc/39/21/17/1080392117.db2.gz UAXCZCLSSOIZAJ-DWLFOUALSA-N 1 0 414.502 2.442 20 0 HEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000768201263 1080392425 /nfs/dbraw/zinc/39/24/25/1080392425.db2.gz RZLVUYZQJLGNKF-FBVQUNGASA-N 1 0 407.555 2.391 20 0 HEADRO C[C@@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)NCCc1ccc(F)cc1 ZINC000786096964 1080393427 /nfs/dbraw/zinc/39/34/27/1080393427.db2.gz HCTYHZFWAUVOTJ-QGZVFWFLSA-N 1 0 406.498 2.451 20 0 HEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)/C(=C/c2ccccc2)n2nnnc2C)CC1 ZINC001169989130 1080396747 /nfs/dbraw/zinc/39/67/47/1080396747.db2.gz CDHXNNZMRWUOAC-JZJYNLBNSA-N 1 0 410.522 2.083 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)C1 ZINC000746571667 1080398365 /nfs/dbraw/zinc/39/83/65/1080398365.db2.gz YJQRALYCCMBTAU-LJQANCHMSA-N 1 0 418.513 2.263 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC(O)(c4ccccc4)CC3)ccn2)CC1 ZINC000768194912 1080409074 /nfs/dbraw/zinc/40/90/74/1080409074.db2.gz JKSYZFHASMBMNE-UHFFFAOYSA-N 1 0 409.534 2.027 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cc3sccc3c(O)c2)C1 ZINC000786139489 1080415209 /nfs/dbraw/zinc/41/52/09/1080415209.db2.gz JHXCSVPUWGRGLP-HNNXBMFYSA-N 1 0 406.504 2.237 20 0 HEADRO CCN(CC)S(=O)(=O)N1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000768219102 1080424010 /nfs/dbraw/zinc/42/40/10/1080424010.db2.gz GTFQEQSYVKPOFS-UHFFFAOYSA-N 1 0 410.628 2.349 20 0 HEADRO COC1CCN(CC[NH2+][C@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 ZINC000768225034 1080429341 /nfs/dbraw/zinc/42/93/41/1080429341.db2.gz XLQCZKFAHKHHCK-WIYYLYMNSA-N 1 0 405.539 2.113 20 0 HEADRO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)C2CCOCC2)c1 ZINC000786164730 1080435334 /nfs/dbraw/zinc/43/53/34/1080435334.db2.gz HDYZHEWRDTWKAT-UHFFFAOYSA-N 1 0 411.568 2.450 20 0 HEADRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768250876 1080439643 /nfs/dbraw/zinc/43/96/43/1080439643.db2.gz CSSWYIZLEINEAW-YYWHXJBOSA-N 1 0 406.523 2.180 20 0 HEADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000768270802 1080452305 /nfs/dbraw/zinc/45/23/05/1080452305.db2.gz CXBXCPFILPIOCH-QWRGUYRKSA-N 1 0 402.460 2.404 20 0 HEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000768293494 1080465906 /nfs/dbraw/zinc/46/59/06/1080465906.db2.gz BZLIREWSQAAABS-RTWAWAEBSA-N 1 0 417.550 2.388 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)c3cccnc3S(=O)(=O)C(F)(F)F)n2)CC1 ZINC000786200271 1080469501 /nfs/dbraw/zinc/46/95/01/1080469501.db2.gz LVPVVPVYKSWIMG-UHFFFAOYSA-N 1 0 417.413 2.091 20 0 HEADRO C[C@@H]1[C@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000786204938 1080471403 /nfs/dbraw/zinc/47/14/03/1080471403.db2.gz JNBDFPRKIJUPKX-NVXWUHKLSA-N 1 0 406.527 2.284 20 0 HEADRO C[C@@H]1[C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786174066 1080478950 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PFMJNLPVMHMQLF-UGKGYDQZSA-N 1 0 415.440 2.211 20 0 HEADRO C[C@H](c1nccs1)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000768362456 1080512626 /nfs/dbraw/zinc/51/26/26/1080512626.db2.gz MCRXZTFFCDNDBW-AEFFLSMTSA-N 1 0 407.584 2.175 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000768402799 1080525566 /nfs/dbraw/zinc/52/55/66/1080525566.db2.gz TZZFPDWFIBYRRI-HKUYNNGSSA-N 1 0 424.586 2.129 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000786281113 1080527766 /nfs/dbraw/zinc/52/77/66/1080527766.db2.gz FDHCDHXDUNCHQV-UHFFFAOYSA-N 1 0 401.507 2.065 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000786301649 1080545045 /nfs/dbraw/zinc/54/50/45/1080545045.db2.gz BWTCGTKDKXBBJW-HXUWFJFHSA-N 1 0 411.502 2.458 20 0 HEADRO CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000768426581 1080548223 /nfs/dbraw/zinc/54/82/23/1080548223.db2.gz QWCSPGXEJPXURU-DHNIJCFSSA-N 1 0 407.514 2.437 20 0 HEADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000786265826 1080548532 /nfs/dbraw/zinc/54/85/32/1080548532.db2.gz FAWMLZVHJGMWTH-UHFFFAOYSA-N 1 0 412.494 2.182 20 0 HEADRO COc1cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)ccc1OC(=O)C1CC1 ZINC000768438911 1080559904 /nfs/dbraw/zinc/55/99/04/1080559904.db2.gz XLAICYZJXKSCDC-QGZVFWFLSA-N 1 0 410.536 2.304 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000786325647 1080562984 /nfs/dbraw/zinc/56/29/84/1080562984.db2.gz MSYSRRVEPFTTQY-SFTDATJTSA-N 1 0 419.541 2.477 20 0 HEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(F)c(S(C)(=O)=O)c3)nc2)CC1 ZINC000786358179 1080569352 /nfs/dbraw/zinc/56/93/52/1080569352.db2.gz VPKCTGIIVHBGIR-UHFFFAOYSA-N 1 0 420.510 2.407 20 0 HEADRO COC(=O)c1cc(Cl)cc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000786427580 1080596576 /nfs/dbraw/zinc/59/65/76/1080596576.db2.gz OESHPDCTGXOUJA-UHFFFAOYSA-N 1 0 417.893 2.486 20 0 HEADRO CN1C(=O)C(=C(N)NOCc2nnc(-c3ccc(Cl)cc3)o2)C(=[NH2+])C12CCCC2 ZINC000768521242 1080607712 /nfs/dbraw/zinc/60/77/12/1080607712.db2.gz FWCMWBFBALYJTI-UHFFFAOYSA-N 1 0 416.869 2.386 20 0 HEADRO [NH2+]=C(NOCC(=O)NCCc1cccc2cccnc21)[C@@H]1COc2ccccc2O1 ZINC000768517507 1080621743 /nfs/dbraw/zinc/62/17/43/1080621743.db2.gz YYWFZDVAFDITRO-IBGZPJMESA-N 1 0 406.442 2.232 20 0 HEADRO [NH2+]=C(NOCC(=O)NCCc1cccc2cccnc21)[C@H]1COc2ccccc2O1 ZINC000768517509 1080621786 /nfs/dbraw/zinc/62/17/86/1080621786.db2.gz YYWFZDVAFDITRO-LJQANCHMSA-N 1 0 406.442 2.232 20 0 HEADRO C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000768579458 1080644569 /nfs/dbraw/zinc/64/45/69/1080644569.db2.gz JLAQEIQJQOJNTN-PWIZWCRZSA-N 1 0 403.523 2.185 20 0 HEADRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cccnc1N1CCOCC1 ZINC000768677202 1080685943 /nfs/dbraw/zinc/68/59/43/1080685943.db2.gz VIQGFFUFWZDYEB-HKUYNNGSSA-N 1 0 420.554 2.422 20 0 HEADRO C[C@H](NC(=O)C(=O)NCc1ccc(Cl)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000786603138 1080703700 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IULCMZBJTBVTCQ-RHSMWYFYSA-N 1 0 401.898 2.407 20 0 HEADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CC1 ZINC000768740827 1080765345 /nfs/dbraw/zinc/76/53/45/1080765345.db2.gz ZKGPMALVXBLXSH-JQVVWYNYSA-N 1 0 404.514 2.079 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000786719016 1080773478 /nfs/dbraw/zinc/77/34/78/1080773478.db2.gz SQUWSCWOUNPTNP-QGZVFWFLSA-N 1 0 411.572 2.108 20 0 HEADRO COCCC1(CNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000768757500 1080775362 /nfs/dbraw/zinc/77/53/62/1080775362.db2.gz DSCPXNNXZDIQJS-UHFFFAOYSA-N 1 0 402.539 2.088 20 0 HEADRO COCCC1(CNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000768760553 1080777367 /nfs/dbraw/zinc/77/73/67/1080777367.db2.gz VMZZHSMJCPEEQE-UHFFFAOYSA-N 1 0 416.566 2.336 20 0 HEADRO CC[NH+](CC)CC1CCN(C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)CC1 ZINC000786730669 1080781135 /nfs/dbraw/zinc/78/11/35/1080781135.db2.gz YJKLUWKDUCAUBY-UHFFFAOYSA-N 1 0 413.588 2.212 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000743767793 1080791979 /nfs/dbraw/zinc/79/19/79/1080791979.db2.gz CTGZFXKNLLXKMJ-CQSZACIVSA-N 1 0 411.911 2.266 20 0 HEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000768849286 1080804365 /nfs/dbraw/zinc/80/43/65/1080804365.db2.gz GDZBUEPRFPAWDI-ZBEVKASSSA-N 1 0 405.564 2.250 20 0 HEADRO O=C(CCNS(=O)(=O)c1cccs1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000772689466 1080820276 /nfs/dbraw/zinc/82/02/76/1080820276.db2.gz ITVPVWCJZFIXBC-UHFFFAOYSA-N 1 0 412.533 2.465 20 0 HEADRO COc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)nc1I ZINC000768843261 1080820910 /nfs/dbraw/zinc/82/09/10/1080820910.db2.gz VFIQHJVQUHZJDI-UHFFFAOYSA-N 1 0 415.275 2.395 20 0 HEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786834679 1080829393 /nfs/dbraw/zinc/82/93/93/1080829393.db2.gz BRDXXACZLJYJJL-LBPRGKRZSA-N 1 0 420.457 2.181 20 0 HEADRO CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000768896419 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O=C(NC[C@@H]1COc2ccccc2C1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769017152 1080899593 /nfs/dbraw/zinc/89/95/93/1080899593.db2.gz QZPBFWMFWLRVJG-FCEUIQTBSA-N 1 0 409.530 2.420 20 0 HEADRO [NH3+]CCN(c1cc(-c2cccnc2)ncn1)S(=O)(=O)c1cccc2cnccc21 ZINC001170065982 1080899744 /nfs/dbraw/zinc/89/97/44/1080899744.db2.gz JWBZNVKVJPFFBK-UHFFFAOYSA-N 1 0 406.471 2.241 20 0 HEADRO COC(=O)c1ccnc(Cl)c1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170066240 1080929484 /nfs/dbraw/zinc/92/94/84/1080929484.db2.gz IFPQJXNNPIOLRW-UHFFFAOYSA-N 1 0 420.878 2.224 20 0 HEADRO C[Si](C)(C)c1ccnc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1F ZINC001170066764 1080958706 /nfs/dbraw/zinc/95/87/06/1080958706.db2.gz SGYUJAXROJZDQD-UHFFFAOYSA-N 1 0 418.570 2.468 20 0 HEADRO O=C(NCCc1ccc(Cl)nc1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769143348 1080959105 /nfs/dbraw/zinc/95/91/05/1080959105.db2.gz MAZYPPQJYWBXQL-RBUKOAKNSA-N 1 0 402.926 2.460 20 0 HEADRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)n1 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ZINC001164625105 719097147 /nfs/dbraw/zinc/09/71/47/719097147.db2.gz GKZKBLDWIJPXSB-UYAOXDASSA-N 1 0 400.548 2.481 20 0 HEADRO CCNS(=O)(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164625102 719097227 /nfs/dbraw/zinc/09/72/27/719097227.db2.gz GKZKBLDWIJPXSB-ICSRJNTNSA-N 1 0 400.548 2.481 20 0 HEADRO NC(=O)[C@@H]1CCCN1c1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC001164624313 719105609 /nfs/dbraw/zinc/10/56/09/719105609.db2.gz FJHRDPAFEFZYEE-UFYCRDLUSA-N 1 0 406.534 2.032 20 0 HEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccccc2OC)nnc1Cl ZINC001164630596 719138604 /nfs/dbraw/zinc/13/86/04/719138604.db2.gz JOWANNMZTSXNSP-AWEZNQCLSA-N 1 0 412.824 2.302 20 0 HEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccc(OC)cc2)nnc1Cl ZINC001164629767 719138849 /nfs/dbraw/zinc/13/88/49/719138849.db2.gz DPWPBTXFZPUAIU-OAHLLOKOSA-N 1 0 412.824 2.302 20 0 HEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164633800 719138859 /nfs/dbraw/zinc/13/88/59/719138859.db2.gz 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/nfs/dbraw/zinc/82/32/08/1078823208.db2.gz FTJLRZYKXUPQKY-UHFFFAOYSA-N 1 0 423.602 2.150 20 0 HEADRO C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000746212800 1078823252 /nfs/dbraw/zinc/82/32/52/1078823252.db2.gz MZDMOVNGASFVTN-QGZVFWFLSA-N 1 0 406.530 2.444 20 0 HEADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000746218348 1078824531 /nfs/dbraw/zinc/82/45/31/1078824531.db2.gz FRCILNQBHQUAOK-LJQANCHMSA-N 1 0 408.527 2.310 20 0 HEADRO C[C@@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000746258248 1078826977 /nfs/dbraw/zinc/82/69/77/1078826977.db2.gz MNIZPVZXYXALPD-PNCHPQGNSA-N 1 0 417.550 2.480 20 0 HEADRO O=C(Cc1cc(-c2ccccc2)on1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000746220251 1078825299 /nfs/dbraw/zinc/82/52/99/1078825299.db2.gz FULXTWMDKHOBIZ-UHFFFAOYSA-N 1 0 420.517 2.393 20 0 HEADRO CCN(CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000746260270 1078827629 /nfs/dbraw/zinc/82/76/29/1078827629.db2.gz SNCPWQLRQJHSNQ-QFIPXVFZSA-N 1 0 405.539 2.387 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000770361945 1078830459 /nfs/dbraw/zinc/83/04/59/1078830459.db2.gz LWOJVWZQHRSFHS-MSOLQXFVSA-N 1 0 401.555 2.200 20 0 HEADRO C[C@@H](NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000770361940 1078830558 /nfs/dbraw/zinc/83/05/58/1078830558.db2.gz LVSXLNBRBIAOOV-DLBZAZTESA-N 1 0 403.527 2.029 20 0 HEADRO Cc1cc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)cc(S(N)(=O)=O)c1C ZINC000746247377 1078831096 /nfs/dbraw/zinc/83/10/96/1078831096.db2.gz MLVJFPNXOUJRBJ-UHFFFAOYSA-N 1 0 405.520 2.168 20 0 HEADRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000770336965 1078835709 /nfs/dbraw/zinc/83/57/09/1078835709.db2.gz PHMZIIDSZFCWQA-DENIHFKCSA-N 1 0 412.534 2.367 20 0 HEADRO COCC[S@](=O)Cc1cccc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000746275605 1078841363 /nfs/dbraw/zinc/84/13/63/1078841363.db2.gz JQZGIFUWUHIDKX-ZTOMLWHTSA-N 1 0 416.543 2.157 20 0 HEADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)nc2)C1 ZINC000746295217 1078845289 /nfs/dbraw/zinc/84/52/89/1078845289.db2.gz ZCOCWZPQJHALKA-KRWDZBQOSA-N 1 0 403.527 2.417 20 0 HEADRO COc1cccc(/C=C(\C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n2nnnc2C)c1 ZINC000746296375 1078845630 /nfs/dbraw/zinc/84/56/30/1078845630.db2.gz KUXPBUKJVMIAMJ-RZBRSOPZSA-N 1 0 422.533 2.464 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000770420329 1078846638 /nfs/dbraw/zinc/84/66/38/1078846638.db2.gz ZTKZLAICSATXCD-AOCRQIFASA-N 1 0 411.591 2.148 20 0 HEADRO O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN(C[C@@H]1CCOC1)C1CC1 ZINC000746502865 1078847816 /nfs/dbraw/zinc/84/78/16/1078847816.db2.gz LTEPRPMAFBIBPY-CVDCTZTESA-N 1 0 412.534 2.031 20 0 HEADRO COC(=O)c1cccc(N2CC(=O)N(CN3C[C@H]([NH+](C)C)Cc4ccccc43)C2=O)c1 ZINC000766341526 1078857292 /nfs/dbraw/zinc/85/72/92/1078857292.db2.gz VTJQVRZFYQCNRC-LJQANCHMSA-N 1 0 422.485 2.192 20 0 HEADRO COc1cc2c(cc1CNC(=O)NC1CC[NH+](C[C@H]3CCCO3)CC1)O[C@@H](C)C2 ZINC000746332372 1078862236 /nfs/dbraw/zinc/86/22/36/1078862236.db2.gz MZPKRZBWZGTYPB-HNAYVOBHSA-N 1 0 403.523 2.461 20 0 HEADRO CN(c1ccc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000770514671 1078872780 /nfs/dbraw/zinc/87/27/80/1078872780.db2.gz XUFSCPCNMNMLAK-GOSISDBHSA-N 1 0 410.584 2.119 20 0 HEADRO C[C@@H]1NC(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000746361232 1078874696 /nfs/dbraw/zinc/87/46/96/1078874696.db2.gz XZLIZUAWGNRTEQ-GHTZIAJQSA-N 1 0 419.529 2.448 20 0 HEADRO CC(C)[NH+](CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(C)C ZINC000746340991 1078866425 /nfs/dbraw/zinc/86/64/25/1078866425.db2.gz DXXSUNMGZIXNAC-OAQYLSRUSA-N 1 0 406.502 2.218 20 0 HEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000746340261 1078866432 /nfs/dbraw/zinc/86/64/32/1078866432.db2.gz XXPXLRPWTGPBSG-MRXNPFEDSA-N 1 0 400.445 2.443 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCc2cccc(O)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170015225 1078880505 /nfs/dbraw/zinc/88/05/05/1078880505.db2.gz UMTXAPWKVCUXRA-WMZOPIPTSA-N 1 0 421.563 2.435 20 0 HEADRO C[N@H+](CC1CC1)C[C@H]1CCN(Cn2nc(-c3ccco3)n(CCC(N)=O)c2=S)C1 ZINC000746383977 1078887915 /nfs/dbraw/zinc/88/79/15/1078887915.db2.gz ZXLHCKQTWRYRBJ-MRXNPFEDSA-N 1 0 418.567 2.171 20 0 HEADRO Cc1ccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)C[C@@H]3COc4ccccc4O3)C2)cc1 ZINC001671069306 1078885852 /nfs/dbraw/zinc/88/58/52/1078885852.db2.gz QVMNVQSWERTHNL-MOPGFXCFSA-N 1 0 402.516 2.329 20 0 HEADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=S)NCCCN1CCOCC1 ZINC000770578416 1078895669 /nfs/dbraw/zinc/89/56/69/1078895669.db2.gz KRJFTFYMUZPTHB-UHFFFAOYSA-N 1 0 405.612 2.217 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000770593283 1078899852 /nfs/dbraw/zinc/89/98/52/1078899852.db2.gz ZHZCAKBUMIHRRL-SQNIBIBYSA-N 1 0 411.591 2.100 20 0 HEADRO COC(=O)C1(C)CCC([NH+]2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@@H]3C)CC1 ZINC001168779883 1078897047 /nfs/dbraw/zinc/89/70/47/1078897047.db2.gz LFHYIEQNVFBRNV-ZGGTZUKQSA-N 1 0 418.538 2.128 20 0 HEADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2=NN(CC(C)C)C(=O)CC2)c1 ZINC000766354021 1078909297 /nfs/dbraw/zinc/90/92/97/1078909297.db2.gz CTWPQSNEUMSKGM-UHFFFAOYSA-N 1 0 415.538 2.331 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000770607278 1078913712 /nfs/dbraw/zinc/91/37/12/1078913712.db2.gz PLXDQNXMQZURRF-FGTMMUONSA-N 1 0 411.591 2.052 20 0 HEADRO C[S@](=O)c1cccc(C(=O)OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000770609596 1078915558 /nfs/dbraw/zinc/91/55/58/1078915558.db2.gz MXGGJSFTESUFIY-LJAQVGFWSA-N 1 0 414.527 2.493 20 0 HEADRO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766365924 1078920686 /nfs/dbraw/zinc/92/06/86/1078920686.db2.gz QYLLBBBJDXUCEI-HOTGVXAUSA-N 1 0 420.597 2.108 20 0 HEADRO COCC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766362808 1078925109 /nfs/dbraw/zinc/92/51/09/1078925109.db2.gz PSKGAFOXDRGUOG-IBGZPJMESA-N 1 0 403.523 2.262 20 0 HEADRO CCC[C@@H]1CN(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)CC[N@@H+]1CCOC ZINC000766379351 1078929507 /nfs/dbraw/zinc/92/95/07/1078929507.db2.gz ZFWZOEUHZLRERD-LJQANCHMSA-N 1 0 420.554 2.058 20 0 HEADRO CCN1CC[NH+](CCCCNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770684480 1078933024 /nfs/dbraw/zinc/93/30/24/1078933024.db2.gz ZYOQHIRSLKCAAN-NRFANRHFSA-N 1 0 416.566 2.179 20 0 HEADRO Cc1nn(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c(=S)n1CC(=O)N(C)C ZINC000766374811 1078941735 /nfs/dbraw/zinc/94/17/35/1078941735.db2.gz JIIWLFASQIMBLU-DLBZAZTESA-N 1 0 416.595 2.363 20 0 HEADRO COc1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1F ZINC000770715901 1078945280 /nfs/dbraw/zinc/94/52/80/1078945280.db2.gz MPAHRBWPRFEGQA-UHFFFAOYSA-N 1 0 414.481 2.101 20 0 HEADRO Cn1ncc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1C1CC1 ZINC000770730519 1078955468 /nfs/dbraw/zinc/95/54/68/1078955468.db2.gz MYWHHIPSXHKLDG-AWEZNQCLSA-N 1 0 401.536 2.326 20 0 HEADRO C[C@H]1C[N@H+](CCCNC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CCCO1 ZINC000770731286 1078956691 /nfs/dbraw/zinc/95/66/91/1078956691.db2.gz DYQUUPKYVPUSLO-AZUAARDMSA-N 1 0 403.523 2.262 20 0 HEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CCCOC1 ZINC000770692616 1078961647 /nfs/dbraw/zinc/96/16/47/1078961647.db2.gz PBKRSQYPVHBIQF-UGSOOPFHSA-N 1 0 418.412 2.464 20 0 HEADRO COC(=O)Nc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000746448259 1078963633 /nfs/dbraw/zinc/96/36/33/1078963633.db2.gz BCEITRSLAGVOSM-ACJLOTCBSA-N 1 0 418.469 2.418 20 0 HEADRO O=C(OCc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000766412421 1078967094 /nfs/dbraw/zinc/96/70/94/1078967094.db2.gz MPPYBPQOVKZSNE-SFTDATJTSA-N 1 0 415.534 2.216 20 0 HEADRO COC(=O)C[C@]1([NH2+]CCc2nc3sc4c(c3c(N)n2)CCCC4)CCCOC1 ZINC000770700901 1078968829 /nfs/dbraw/zinc/96/88/29/1078968829.db2.gz RDHJRDDNXRBVGZ-HXUWFJFHSA-N 1 0 404.536 2.397 20 0 HEADRO O=C(Nc1cccc(N2CCOC2=O)c1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000746451043 1078974451 /nfs/dbraw/zinc/97/44/51/1078974451.db2.gz SXCQBXTUZJDYHE-KXBFYZLASA-N 1 0 412.490 2.057 20 0 HEADRO CN(c1ccc(NC(=O)C(=O)N[C@H](CO)CC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000746453091 1078979809 /nfs/dbraw/zinc/97/98/09/1078979809.db2.gz MRKQBXMKCKGGAK-KRWDZBQOSA-N 1 0 404.555 2.069 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)=O)C2)CC1 ZINC001168790933 1078989003 /nfs/dbraw/zinc/98/90/03/1078989003.db2.gz SDVLGVZHOIEVHO-ULJJVGKCSA-N 1 0 402.539 2.316 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)[N@H+](C)Cc1ccccc1 ZINC000766435897 1079003552 /nfs/dbraw/zinc/00/35/52/1079003552.db2.gz BVPXYROLYBTNHN-ZDUSSCGKSA-N 1 0 405.296 2.419 20 0 HEADRO O=C(Nc1ccc(N2CCOC2=O)cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000746454563 1079004378 /nfs/dbraw/zinc/00/43/78/1079004378.db2.gz RXTYCMVADZBVAC-KXBFYZLASA-N 1 0 412.490 2.057 20 0 HEADRO COc1cccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1F ZINC000770752602 1079006847 /nfs/dbraw/zinc/00/68/47/1079006847.db2.gz WQTDKMXSFWBFIW-UHFFFAOYSA-N 1 0 415.465 2.046 20 0 HEADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000770778735 1079010698 /nfs/dbraw/zinc/01/06/98/1079010698.db2.gz TYFCKXBDTHJGOZ-UHFFFAOYSA-N 1 0 410.518 2.337 20 0 HEADRO CCOC(=O)C1=C(CN2CC[N@H+](C)C[C@H]2C(C)C)NC(=O)N[C@@H]1c1ccccc1 ZINC000746461974 1079014432 /nfs/dbraw/zinc/01/44/32/1079014432.db2.gz ILHAGJUDDJHDDC-AZUAARDMSA-N 1 0 400.523 2.130 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCCC(C)(C)CO)C[C@H]1C(=O)N1CCSC1 ZINC001170017685 1079016713 /nfs/dbraw/zinc/01/67/13/1079016713.db2.gz DHKRAVDTAQZKAE-CVEARBPZSA-N 1 0 415.600 2.286 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)[C@@H](C)C1 ZINC000746470483 1079021083 /nfs/dbraw/zinc/02/10/83/1079021083.db2.gz GUAGHUFGFXRCSS-DZGCQCFKSA-N 1 0 403.495 2.284 20 0 HEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CC(=O)Nc2cccnc2Cl)CC1 ZINC000746477822 1079032315 /nfs/dbraw/zinc/03/23/15/1079032315.db2.gz GTKCFPVTHQUTCY-UHFFFAOYSA-N 1 0 409.962 2.090 20 0 HEADRO C/C=C/C[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000770801783 1079024195 /nfs/dbraw/zinc/02/41/95/1079024195.db2.gz MPWBGKBULWJKPO-NJELEJDNSA-N 1 0 422.957 2.254 20 0 HEADRO CCN(c1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1)C(C)C ZINC000770804403 1079025635 /nfs/dbraw/zinc/02/56/35/1079025635.db2.gz VMLAPGIHSBEULP-SFHVURJKSA-N 1 0 403.571 2.002 20 0 HEADRO COc1ccc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)nc1Cl ZINC000766482485 1079034631 /nfs/dbraw/zinc/03/46/31/1079034631.db2.gz OPDLGDJJWAIHGT-MRXNPFEDSA-N 1 0 416.909 2.371 20 0 HEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)cc1 ZINC001168800374 1079040664 /nfs/dbraw/zinc/04/06/64/1079040664.db2.gz CNWPYWXDYDMKMI-RHSMWYFYSA-N 1 0 403.504 2.167 20 0 HEADRO C[C@H]1C[C@H]([N@@H+]2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168858769 1079055235 /nfs/dbraw/zinc/05/52/35/1079055235.db2.gz QZTHJKMLGPEPMT-NNPSNHGLSA-N 1 0 409.527 2.028 20 0 HEADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000770871445 1079048725 /nfs/dbraw/zinc/04/87/25/1079048725.db2.gz ZNENTZBFFUUHIJ-UHFFFAOYSA-N 1 0 420.510 2.247 20 0 HEADRO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)CN1C(=O)OC(C)(C)C ZINC001168860675 1079055601 /nfs/dbraw/zinc/05/56/01/1079055601.db2.gz WEJYDGYNHIFEMJ-QLDGJZPUSA-N 1 0 422.570 2.138 20 0 HEADRO CCN1C[C@H]2CC[N@@H+]([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC[C@H]2S1(=O)=O ZINC001168852422 1079052236 /nfs/dbraw/zinc/05/22/36/1079052236.db2.gz BYLZUOQKGQCRGO-YLFCFFPRSA-N 1 0 401.573 2.130 20 0 HEADRO C[C@@H]1C[C@@H](n2nc(C(=O)NC3CCC3)c3c2CC[NH2+]C3)CN1C(=O)OC(C)(C)C ZINC001168868398 1079058562 /nfs/dbraw/zinc/05/85/62/1079058562.db2.gz SOCUYGVPAJQWTK-UKRRQHHQSA-N 1 0 403.527 2.382 20 0 HEADRO COCCN1CCOC[C@]2(CCC[N@@H+]([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850757 1079061586 /nfs/dbraw/zinc/06/15/86/1079061586.db2.gz QVVOERFPZLYKLV-WOIUINJBSA-N 1 0 411.587 2.445 20 0 HEADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000766521276 1079067120 /nfs/dbraw/zinc/06/71/20/1079067120.db2.gz HEODFUQFFCTIOF-ROUUACIJSA-N 1 0 405.506 2.467 20 0 HEADRO C[C@H]1C[C@@H](N(C2CC[NH2+]CC2)S(=O)(=O)c2cccnc2)CN1C(=O)OC(C)(C)C ZINC001168878248 1079066306 /nfs/dbraw/zinc/06/63/06/1079066306.db2.gz BVAXLYLVFQUXMW-DOTOQJQBSA-N 1 0 424.567 2.222 20 0 HEADRO COc1cccc(NC(=O)Cc2noc([C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000770959080 1079079490 /nfs/dbraw/zinc/07/94/90/1079079490.db2.gz SBFWDIHMBVLZIX-QFIPXVFZSA-N 1 0 408.458 2.353 20 0 HEADRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000766535050 1079070881 /nfs/dbraw/zinc/07/08/81/1079070881.db2.gz LNRIAFMQLIUOOJ-ZBFHGGJFSA-N 1 0 402.607 2.207 20 0 HEADRO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000770956628 1079077646 /nfs/dbraw/zinc/07/76/46/1079077646.db2.gz VZBXLHZRVQHGPD-QGZVFWFLSA-N 1 0 424.574 2.441 20 0 HEADRO C[NH+]1C[C@]2(C)CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C[C@@]2(C)C1 ZINC001168932553 1079078119 /nfs/dbraw/zinc/07/81/19/1079078119.db2.gz VIJSTWORLJYZRC-MAODMQOUSA-N 1 0 418.925 2.345 20 0 HEADRO COc1ccc(C(=O)CCC(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c(OC)c1OC ZINC001168929715 1079088068 /nfs/dbraw/zinc/08/80/68/1079088068.db2.gz KCERYUPRMDORDG-VXKWHMMOSA-N 1 0 404.507 2.476 20 0 HEADRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000770967249 1079091098 /nfs/dbraw/zinc/09/10/98/1079091098.db2.gz DTNSGUACUPLXNK-WFASDCNBSA-N 1 0 409.474 2.075 20 0 HEADRO CCCc1nc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)nn1-c1ccccc1Cl ZINC001169040547 1079107967 /nfs/dbraw/zinc/10/79/67/1079107967.db2.gz FDKHEGWEHBKCQR-UHFFFAOYSA-N 1 0 405.930 2.402 20 0 HEADRO C[NH+](C)CC1(O)CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC001169040627 1079107974 /nfs/dbraw/zinc/10/79/74/1079107974.db2.gz IGYXPXSKKWWKIO-UHFFFAOYSA-N 1 0 407.312 2.164 20 0 HEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1nc(NCc2ccco2)ncc1Cl ZINC000771037622 1079111996 /nfs/dbraw/zinc/11/19/96/1079111996.db2.gz DTPIBEBIEUPHEA-AWEZNQCLSA-N 1 0 405.886 2.318 20 0 HEADRO Cc1noc(C)c1C[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170021116 1079115619 /nfs/dbraw/zinc/11/56/19/1079115619.db2.gz VCQYOCZYVRGFDU-HOCLYGCPSA-N 1 0 410.540 2.292 20 0 HEADRO COc1cccc(CNC(=O)c2cc3ccc(-n4cncc4C[C@@H]([NH3+])CO)cc3[nH]2)c1 ZINC001169075262 1079125964 /nfs/dbraw/zinc/12/59/64/1079125964.db2.gz FVNGBOPQVIBZEY-QGZVFWFLSA-N 1 0 419.485 2.154 20 0 HEADRO CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000766580079 1079120605 /nfs/dbraw/zinc/12/06/05/1079120605.db2.gz AGUJFOITVTZMRH-HKUYNNGSSA-N 1 0 416.522 2.202 20 0 HEADRO Cc1cn([C@H]2C[C@H]([NH2+][C@@H](Cc3ccccc3)CC(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001169068418 1079122205 /nfs/dbraw/zinc/12/22/05/1079122205.db2.gz OCVFOAJGOSXIJV-IYWMVGAKSA-N 1 0 401.507 2.153 20 0 HEADRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OCC(=O)OC)cc2)C1 ZINC001169072632 1079124957 /nfs/dbraw/zinc/12/49/57/1079124957.db2.gz LSZMILFEUVPIMS-SOLBZPMBSA-N 1 0 420.506 2.079 20 0 HEADRO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000766586726 1079137201 /nfs/dbraw/zinc/13/72/01/1079137201.db2.gz VGGCTTJUMDNAOS-LPHOPBHVSA-N 1 0 400.523 2.050 20 0 HEADRO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000766586725 1079137228 /nfs/dbraw/zinc/13/72/28/1079137228.db2.gz VGGCTTJUMDNAOS-APWZRJJASA-N 1 0 400.523 2.050 20 0 HEADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC1=O ZINC000746280246 1079128684 /nfs/dbraw/zinc/12/86/84/1079128684.db2.gz NWDNMURDCLQKCF-YLJYHZDGSA-N 1 0 407.942 2.022 20 0 HEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)OC(C)(C)C)nc3)CC[C@@H]21 ZINC000766585062 1079135056 /nfs/dbraw/zinc/13/50/56/1079135056.db2.gz PAFMXJWBZDFPNT-ZBFHGGJFSA-N 1 0 417.510 2.310 20 0 HEADRO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766587454 1079139299 /nfs/dbraw/zinc/13/92/99/1079139299.db2.gz YXNGTYOEYJCDGT-BBRMVZONSA-N 1 0 406.595 2.349 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)C[C@H]1C(=O)N1CCSC1 ZINC001170021277 1079139873 /nfs/dbraw/zinc/13/98/73/1079139873.db2.gz YWERNOBCMVDZOS-ULQDDVLXSA-N 1 0 413.584 2.446 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cc(N3CCCC3=O)ccc2F)CC1 ZINC000771123478 1079143425 /nfs/dbraw/zinc/14/34/25/1079143425.db2.gz DMCJENZQCIFYBU-UHFFFAOYSA-N 1 0 405.518 2.490 20 0 HEADRO CCCOCCC[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170021403 1079144138 /nfs/dbraw/zinc/14/41/38/1079144138.db2.gz DAUMULFPVSZLCZ-CVEARBPZSA-N 1 0 401.573 2.304 20 0 HEADRO CC[NH+]1CCC(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771124038 1079144355 /nfs/dbraw/zinc/14/43/55/1079144355.db2.gz MFPRVNWEYNTSIY-HXUWFJFHSA-N 1 0 424.904 2.094 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000771094343 1079148710 /nfs/dbraw/zinc/14/87/10/1079148710.db2.gz OMWGSHFMWKHVNM-UHFFFAOYSA-N 1 0 418.510 2.221 20 0 HEADRO COc1ccc(CN2CCO[C@H]3CN([C@@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC[C@H]3C2=O)cc1 ZINC001169133195 1079152071 /nfs/dbraw/zinc/15/20/71/1079152071.db2.gz CREHFQJLFYWVGW-PMNYKWLYSA-N 1 0 413.562 2.370 20 0 HEADRO CC[NH+]1CCC(N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771105386 1079154651 /nfs/dbraw/zinc/15/46/51/1079154651.db2.gz ZPFKAKSHVZJWMX-HXUWFJFHSA-N 1 0 424.904 2.189 20 0 HEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771112886 1079158226 /nfs/dbraw/zinc/15/82/26/1079158226.db2.gz BBNSNHJJVFXVQX-RNODOKPDSA-N 1 0 424.904 2.237 20 0 HEADRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3OCC[C@H]3NC(=O)OC(C)(C)C)C2)c1 ZINC001169148858 1079166047 /nfs/dbraw/zinc/16/60/47/1079166047.db2.gz FUKGNQDEFXWKSH-QRVBRYPASA-N 1 0 403.523 2.368 20 0 HEADRO CC[C@H](C)[N@H+](C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771153982 1079166841 /nfs/dbraw/zinc/16/68/41/1079166841.db2.gz OAEHHXSFZLITKV-BUXKBTBVSA-N 1 0 412.893 2.093 20 0 HEADRO Cc1ccc(F)cc1C[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169161875 1079171223 /nfs/dbraw/zinc/17/12/23/1079171223.db2.gz HTLXDANPVXBOPW-OAHLLOKOSA-N 1 0 401.486 2.230 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc(F)cc(F)c1F ZINC001169163518 1079171950 /nfs/dbraw/zinc/17/19/50/1079171950.db2.gz QIVVUTFGUPJIHM-LBPRGKRZSA-N 1 0 423.439 2.200 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccc2ncccc12 ZINC001169166374 1079174760 /nfs/dbraw/zinc/17/47/60/1079174760.db2.gz BPUUIKWNPCMXMP-MRXNPFEDSA-N 1 0 420.517 2.331 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(Cc2ccccn2)CCC1 ZINC001169189261 1079178467 /nfs/dbraw/zinc/17/84/67/1079178467.db2.gz DJIPJDHWJOVGMS-QGZVFWFLSA-N 1 0 424.549 2.143 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001169191034 1079179159 /nfs/dbraw/zinc/17/91/59/1079179159.db2.gz KBSUYSYZVYPAPN-ZIAGYGMSSA-N 1 0 415.460 2.062 20 0 HEADRO CN(C)S(=O)(=O)c1ccc2nc(Cl)c(-n3ncc4c3cccc4C[NH3+])nc2c1 ZINC001169192950 1079180421 /nfs/dbraw/zinc/18/04/21/1079180421.db2.gz QQQOCLVKNOWMHP-UHFFFAOYSA-N 1 0 416.894 2.331 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000771165950 1079181236 /nfs/dbraw/zinc/18/12/36/1079181236.db2.gz OOEPLIIWOACQOP-CEXHIMGSSA-N 1 0 406.474 2.462 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccc2cccnc21 ZINC001169194175 1079181573 /nfs/dbraw/zinc/18/15/73/1079181573.db2.gz WAFVMKJVNLTVKU-INIZCTEOSA-N 1 0 420.517 2.331 20 0 HEADRO COc1ccc(C[N@H+](C)[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC001169201795 1079183364 /nfs/dbraw/zinc/18/33/64/1079183364.db2.gz IINZIUZDEQEBPS-MRXNPFEDSA-N 1 0 413.522 2.133 20 0 HEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000771136058 1079187776 /nfs/dbraw/zinc/18/77/76/1079187776.db2.gz YSVWRVRXLVSCKE-GUDVDZBRSA-N 1 0 403.571 2.448 20 0 HEADRO Cc1cc(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cnc1Cl ZINC001169173756 1079188583 /nfs/dbraw/zinc/18/85/83/1079188583.db2.gz GWFNFCJGUXDKNO-CQSZACIVSA-N 1 0 418.929 2.139 20 0 HEADRO CCCN(CCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000804309473 1079188677 /nfs/dbraw/zinc/18/86/77/1079188677.db2.gz GGWRSJYRQQCICS-GOSISDBHSA-N 1 0 424.586 2.227 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCc1ccc(F)c(F)c1 ZINC001169175394 1079190080 /nfs/dbraw/zinc/19/00/80/1079190080.db2.gz LYKHDNGDEJOFGF-CQSZACIVSA-N 1 0 419.476 2.103 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](c1ccncc1)C1CC1 ZINC001169178133 1079191969 /nfs/dbraw/zinc/19/19/69/1079191969.db2.gz WGGCPUBGDLVNDM-YJBOKZPZSA-N 1 0 410.522 2.128 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2c(F)cccc2C1 ZINC001169211248 1079197575 /nfs/dbraw/zinc/19/75/75/1079197575.db2.gz DYLLHNGQFSUMRX-OAHLLOKOSA-N 1 0 413.497 2.190 20 0 HEADRO O=C(CC[NH2+][C@@H](CO)C1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001169205193 1079205440 /nfs/dbraw/zinc/20/54/40/1079205440.db2.gz ANKZKDXUFWBFSU-FQEVSTJZSA-N 1 0 423.579 2.331 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)c3cc(C)n(-c4cnn(C)c4)c3C)CC[NH2+]2)c1 ZINC001169261691 1079205478 /nfs/dbraw/zinc/20/54/78/1079205478.db2.gz VVYGAAXCWVHLSA-IBGZPJMESA-N 1 0 407.518 2.493 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)c3cnc(C4(C)OCCO4)s3)CC[NH2+]2)c1 ZINC001169261823 1079205755 /nfs/dbraw/zinc/20/57/55/1079205755.db2.gz XTPVGZXLXXFTPT-HNNXBMFYSA-N 1 0 403.504 2.028 20 0 HEADRO CCN1CCC([NH+]2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3CC)CC1 ZINC001169251421 1079212153 /nfs/dbraw/zinc/21/21/53/1079212153.db2.gz WGNFOEPSXQTUNT-UHFFFAOYSA-N 1 0 411.598 2.395 20 0 HEADRO COc1ccc(CN2CCc3c2ncnc3NCc2ncn3c2C[NH2+]CCC3)cc1 ZINC001169242232 1079209408 /nfs/dbraw/zinc/20/94/08/1079209408.db2.gz ZERDRMIIXVWQHB-UHFFFAOYSA-N 1 0 405.506 2.350 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(CN3C(=O)NC4(CCCCCCC4)C3=O)CC2)CC1 ZINC000771175462 1079209650 /nfs/dbraw/zinc/20/96/50/1079209650.db2.gz PHMQPKZAKUWXER-UHFFFAOYSA-N 1 0 419.614 2.469 20 0 HEADRO CCCC[N@H+](C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771181179 1079212201 /nfs/dbraw/zinc/21/22/01/1079212201.db2.gz VBYZKURZMLYHJC-LJQANCHMSA-N 1 0 412.893 2.094 20 0 HEADRO CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000804314009 1079221756 /nfs/dbraw/zinc/22/17/56/1079221756.db2.gz DXAWMVMGKOAVMY-UXHICEINSA-N 1 0 414.550 2.027 20 0 HEADRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000766648124 1079216476 /nfs/dbraw/zinc/21/64/76/1079216476.db2.gz HHTXVFOKRYZKBX-MGPUTAFESA-N 1 0 417.481 2.333 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)C ZINC000771226854 1079216907 /nfs/dbraw/zinc/21/69/07/1079216907.db2.gz HVSFPNMXZRJAOE-UZLBHIALSA-N 1 0 414.550 2.485 20 0 HEADRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001169285762 1079219510 /nfs/dbraw/zinc/21/95/10/1079219510.db2.gz XSEFJVQXOIPCET-ALXJQNPVSA-N 1 0 409.552 2.033 20 0 HEADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)C(C)C ZINC000771217126 1079232409 /nfs/dbraw/zinc/23/24/09/1079232409.db2.gz SZPYVBGYRRDQSC-KRWDZBQOSA-N 1 0 402.539 2.296 20 0 HEADRO COc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1F ZINC000771248380 1079227385 /nfs/dbraw/zinc/22/73/85/1079227385.db2.gz YLGJZTSULBQSEY-KRWDZBQOSA-N 1 0 402.470 2.245 20 0 HEADRO CCO[C@@H]1C[C@](CO)([NH2+]CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1(C)C ZINC001169301079 1079230013 /nfs/dbraw/zinc/23/00/13/1079230013.db2.gz RSYSWYMGICAXHG-QVKFZJNVSA-N 1 0 423.579 2.210 20 0 HEADRO C[C@H]1CN(CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CC(C)(C)O1 ZINC000746505570 1079233567 /nfs/dbraw/zinc/23/35/67/1079233567.db2.gz KTLNCVYEHGIAKL-HTAPYJJXSA-N 1 0 400.523 2.030 20 0 HEADRO CCOC(=O)C1=C(N[C@@H]2CC[C@@H](C(=O)OCC)OC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001169338360 1079238393 /nfs/dbraw/zinc/23/83/93/1079238393.db2.gz HGNYDJHASTWUKS-NQIIRXRSSA-N 1 0 416.518 2.410 20 0 HEADRO CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000771287012 1079240940 /nfs/dbraw/zinc/24/09/40/1079240940.db2.gz KJULLPOVCGGLJC-MJGOQNOKSA-N 1 0 404.511 2.362 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C(=O)OC)cc3)CC2)CO1 ZINC001169352376 1079249016 /nfs/dbraw/zinc/24/90/16/1079249016.db2.gz OYPMQJTWDCFJJR-UXHICEINSA-N 1 0 404.507 2.138 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)CO1 ZINC001169354362 1079249371 /nfs/dbraw/zinc/24/93/71/1079249371.db2.gz UCRFZNNBNPMTOQ-DZGCQCFKSA-N 1 0 400.269 2.436 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)CO1 ZINC001169404921 1079251753 /nfs/dbraw/zinc/25/17/53/1079251753.db2.gz QYLQMONQFRUCDG-KBPBESRZSA-N 1 0 402.417 2.118 20 0 HEADRO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(C[NH+](C)C)c2)C1=O ZINC000771277922 1079264573 /nfs/dbraw/zinc/26/45/73/1079264573.db2.gz WSGDTMKSDBRYSX-JOCHJYFZSA-N 1 0 410.474 2.163 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CO1 ZINC001169389512 1079259253 /nfs/dbraw/zinc/25/92/53/1079259253.db2.gz FFXLCVSWZLHKLH-GWOFKNCZSA-N 1 0 404.507 2.442 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3nc(C(=O)N(CC)CC)sc3CC2)CO1 ZINC001169388815 1079259525 /nfs/dbraw/zinc/25/95/25/1079259525.db2.gz QMWYJTHEDMXQKT-HOCLYGCPSA-N 1 0 409.552 2.136 20 0 HEADRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](CO)C[C@H](O)c3ccccc3)c2)CC1 ZINC000771271844 1079259618 /nfs/dbraw/zinc/25/96/18/1079259618.db2.gz JQIKMBGVHQSBEU-IRLDBZIGSA-N 1 0 412.534 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CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)CO1 ZINC001169394764 1079267017 /nfs/dbraw/zinc/26/70/17/1079267017.db2.gz FWMUCCVYFRDVAQ-RBUKOAKNSA-N 1 0 401.507 2.120 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2Cc3cncn3C[C@@H](COCc3ccccn3)C2)CO1 ZINC001169400444 1079274777 /nfs/dbraw/zinc/27/47/77/1079274777.db2.gz ZHSLKMYSSCCOAS-DSKINZAPSA-N 1 0 414.506 2.037 20 0 HEADRO CC[NH+](CC)Cc1cncc(NCC(=O)NC[C@H](O)c2cc(OC)ccc2OC)c1 ZINC001169445200 1079295346 /nfs/dbraw/zinc/29/53/46/1079295346.db2.gz PYJQUZAMWNTIME-FQEVSTJZSA-N 1 0 416.522 2.202 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCOCCOCCOCCOCc1ccccc1 ZINC001169449607 1079297475 /nfs/dbraw/zinc/29/74/75/1079297475.db2.gz VVHASEFGNHYQEV-OAQYLSRUSA-N 1 0 424.582 2.490 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000771343330 1079299513 /nfs/dbraw/zinc/29/95/13/1079299513.db2.gz GZDCOFDKCICUQI-KRWDZBQOSA-N 1 0 411.591 2.005 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC 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/nfs/dbraw/zinc/33/50/94/1079335094.db2.gz PWBWXRWEEVKRNE-ZFWWWQNUSA-N 1 0 401.326 2.268 20 0 HEADRO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000766757043 1079338190 /nfs/dbraw/zinc/33/81/90/1079338190.db2.gz FWDINHPVKIYURO-LEWJYISDSA-N 1 0 412.538 2.077 20 0 HEADRO CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)Nc2ccc3ccccc3c2)C1 ZINC001169595921 1079338237 /nfs/dbraw/zinc/33/82/37/1079338237.db2.gz AKNHQXMVWMLXFM-VXKWHMMOSA-N 1 0 422.529 2.370 20 0 HEADRO C[NH+](C)C1CCN(C(=O)Cc2noc([C@H]3CC(c4cccc(F)c4)=NO3)n2)CC1 ZINC000771471812 1079349857 /nfs/dbraw/zinc/34/98/57/1079349857.db2.gz HDUMEDOYKZFBIF-QGZVFWFLSA-N 1 0 401.442 2.170 20 0 HEADRO CCOC(=O)c1cn2nc([C@@H]3CCC[N@@H+]([C@@H]4CCCN(C(C)=O)C4)C3)sc2n1 ZINC001169638015 1079350670 /nfs/dbraw/zinc/35/06/70/1079350670.db2.gz CIUJSBXEEKVQES-HUUCEWRRSA-N 1 0 405.524 2.158 20 0 HEADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cnn(-c4ccc(Cl)cc4)n3)n2)CC1 ZINC000771472798 1079350839 /nfs/dbraw/zinc/35/08/39/1079350839.db2.gz PBRKAUMNILPNCA-UHFFFAOYSA-N 1 0 415.885 2.066 20 0 HEADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cnn(-c4cccc(Cl)c4)n3)n2)CC1 ZINC000771473540 1079351589 /nfs/dbraw/zinc/35/15/89/1079351589.db2.gz XPQGPPZWHGPDAC-UHFFFAOYSA-N 1 0 415.885 2.066 20 0 HEADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC001169613677 1079352497 /nfs/dbraw/zinc/35/24/97/1079352497.db2.gz MQOWCBNMJYXLHV-CYBMUJFWSA-N 1 0 403.570 2.345 20 0 HEADRO Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000766765118 1079354027 /nfs/dbraw/zinc/35/40/27/1079354027.db2.gz PGNHXLGRRBOWRS-RTWAWAEBSA-N 1 0 412.538 2.077 20 0 HEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)CC2)CC1 ZINC000771512433 1079367807 /nfs/dbraw/zinc/36/78/07/1079367807.db2.gz UFVWKUXAMRAOGS-NRFANRHFSA-N 1 0 402.514 2.336 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCC3)C2)CC1 ZINC001169692774 1079373492 /nfs/dbraw/zinc/37/34/92/1079373492.db2.gz JERAASYFJHVGLI-WTGUMLROSA-N 1 0 407.555 2.347 20 0 HEADRO CCOC(=O)N1CCC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)=O)C2)CC1 ZINC001169693876 1079373873 /nfs/dbraw/zinc/37/38/73/1079373873.db2.gz MTXFWKMQQYZMLI-ANULTFPQSA-N 1 0 417.554 2.205 20 0 HEADRO CCC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)CC[N@@H+]1CCOC ZINC000766789587 1079378552 /nfs/dbraw/zinc/37/85/52/1079378552.db2.gz UCPUQMNKAWNEEL-QFBILLFUSA-N 1 0 402.539 2.409 20 0 HEADRO CCOC(=O)N1CCC[C@@H]([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 ZINC001169676017 1079379153 /nfs/dbraw/zinc/37/91/53/1079379153.db2.gz BMUDWWLUUMLNMU-GOSISDBHSA-N 1 0 400.523 2.426 20 0 HEADRO CCOC(=O)N1CCC[C@H]([NH+]2CCN(CC(=O)N(C)c3ccccc3)CC2)CC1 ZINC001169705130 1079380550 /nfs/dbraw/zinc/38/05/50/1079380550.db2.gz HPMWBQJDQIULPY-FQEVSTJZSA-N 1 0 402.539 2.278 20 0 HEADRO Cn1cc(N2CC[C@]3(CC[N@@H+]([C@H]4CCCN(C(=O)c5ccccc5)C4)C3)C2=O)cn1 ZINC001169774397 1079394690 /nfs/dbraw/zinc/39/46/90/1079394690.db2.gz YMPBMYPIDUNEQI-CVDCTZTESA-N 1 0 407.518 2.154 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)[C@@H](CO)C1 ZINC001169745570 1079386825 /nfs/dbraw/zinc/38/68/25/1079386825.db2.gz METOJBRIDANWPC-QRVBRYPASA-N 1 0 403.523 2.109 20 0 HEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)[C@@H](C)C1 ZINC000766799919 1079387223 /nfs/dbraw/zinc/38/72/23/1079387223.db2.gz HOTUGXWLIWUBQK-NRDMVMEKSA-N 1 0 421.586 2.155 20 0 HEADRO NC(=O)[C@H](CCC(=O)OCc1ccccc1)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169751533 1079389050 /nfs/dbraw/zinc/38/90/50/1079389050.db2.gz RLPOGMWMBKZQKU-SFTDATJTSA-N 1 0 423.513 2.258 20 0 HEADRO Cn1cc(N2CC[C@@]3(CC[N@@H+]([C@@H]4CCCN(C(=O)c5ccccc5)C4)C3)C2=O)cn1 ZINC001169774393 1079394607 /nfs/dbraw/zinc/39/46/07/1079394607.db2.gz YMPBMYPIDUNEQI-AUSIDOKSSA-N 1 0 407.518 2.154 20 0 HEADRO COc1ccc([C@@H]2[C@@H](COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC[N@@H+]2C)cc1 ZINC000771612017 1079396863 /nfs/dbraw/zinc/39/68/63/1079396863.db2.gz LAIRONNTAQIVPF-NXHRZFHOSA-N 1 0 412.552 2.195 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)C1 ZINC001169771630 1079405545 /nfs/dbraw/zinc/40/55/45/1079405545.db2.gz JZPSZSIRRRKYER-CVDCTZTESA-N 1 0 405.502 2.210 20 0 HEADRO CCN1C[C@H]2CC[N@@H+]([C@H]3CCCN(C(=O)c4ccccc4)C3)CC[C@H]2S1(=O)=O ZINC001169772265 1079407438 /nfs/dbraw/zinc/40/74/38/1079407438.db2.gz RKNNAGZPSGXBSD-HSALFYBXSA-N 1 0 405.564 2.037 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@H]([NH+]2CCC(N3CCCCS3(=O)=O)CC2)C1 ZINC001169783231 1079417551 /nfs/dbraw/zinc/41/75/51/1079417551.db2.gz BVCBOTKQCGSLBR-FQEVSTJZSA-N 1 0 405.564 2.181 20 0 HEADRO Cc1ccc([C@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)[C@@H](C)S(C)(=O)=O)cc1 ZINC001169809959 1079427406 /nfs/dbraw/zinc/42/74/06/1079427406.db2.gz GDSQFGHBFWIHLY-BPQIPLTHSA-N 1 0 414.568 2.287 20 0 HEADRO Cc1ccc([C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)[C@@H](C)S(C)(=O)=O)cc1 ZINC001169809964 1079428147 /nfs/dbraw/zinc/42/81/47/1079428147.db2.gz GDSQFGHBFWIHLY-KBAYOESNSA-N 1 0 414.568 2.287 20 0 HEADRO Cc1ccc(C)c(N2N=C(C(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)CCC2=O)c1 ZINC000771663325 1079432103 /nfs/dbraw/zinc/43/21/03/1079432103.db2.gz LZYBYGGNYXFKPR-UHFFFAOYSA-N 1 0 413.566 2.319 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]([NH2+]C3CCC(S(C)(=O)=O)CC3)CO2)C1 ZINC001169859107 1079435648 /nfs/dbraw/zinc/43/56/48/1079435648.db2.gz UXOOQLXKTUJGQI-UGZUTAHUSA-N 1 0 416.584 2.490 20 0 HEADRO COCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001169839481 1079439045 /nfs/dbraw/zinc/43/90/45/1079439045.db2.gz AZWFUUKUUBYDBL-UHFFFAOYSA-N 1 0 417.531 2.459 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]([NH2+]C3CCC(S(C)(=O)=O)CC3)CO2)C1 ZINC001169852590 1079447510 /nfs/dbraw/zinc/44/75/10/1079447510.db2.gz XVMOKAPTKQDWKQ-ICIBYLBGSA-N 1 0 402.557 2.100 20 0 HEADRO CC(C)(C)OC(=O)N1CCCC[C@](O)(C[NH2+]C2CCC(S(C)(=O)=O)CC2)C1 ZINC001169853850 1079448764 /nfs/dbraw/zinc/44/87/64/1079448764.db2.gz KIYPDVVXTKWZKZ-RJYAGPCLSA-N 1 0 404.573 2.084 20 0 HEADRO CS(=O)(=O)C1CCC([NH+]2CCC3(CC[C@@H](C(=O)N4CCCC4)OC3)CC2)CC1 ZINC001169884302 1079457665 /nfs/dbraw/zinc/45/76/65/1079457665.db2.gz AGEXBVGNYUSMAD-ACBHZAAOSA-N 1 0 412.596 2.226 20 0 HEADRO CC[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H](O)c1c(F)cccc1F ZINC000771709312 1079457875 /nfs/dbraw/zinc/45/78/75/1079457875.db2.gz QTDLJEUOIIGYAQ-XLIONFOSSA-N 1 0 404.461 2.354 20 0 HEADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000771733612 1079470746 /nfs/dbraw/zinc/47/07/46/1079470746.db2.gz VWECOPMPNFVWDF-UHFFFAOYSA-N 1 0 411.568 2.295 20 0 HEADRO C[C@@H]([NH3+])c1cc(F)c(N(C2CCC(S(C)(=O)=O)CC2)S(C)(=O)=O)c(F)c1 ZINC001169873919 1079465319 /nfs/dbraw/zinc/46/53/19/1079465319.db2.gz ROACXNFCKWORIL-QFWMXSHPSA-N 1 0 410.508 2.106 20 0 HEADRO COC(=O)c1cccc(C[NH2+]C2CCN(C3CCC(S(C)(=O)=O)CC3)CC2)c1 ZINC001169897281 1079468310 /nfs/dbraw/zinc/46/83/10/1079468310.db2.gz OGWGABDBSHQAEC-UHFFFAOYSA-N 1 0 408.564 2.383 20 0 HEADRO CS(=O)(=O)C1CCC([NH+]2CCC3(CCN(S(=O)(=O)C4CC4)CC3)CC2)CC1 ZINC001169896909 1079468456 /nfs/dbraw/zinc/46/84/56/1079468456.db2.gz LZTSUQFNYPWTTP-UHFFFAOYSA-N 1 0 418.625 2.012 20 0 HEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000771733170 1079469853 /nfs/dbraw/zinc/46/98/53/1079469853.db2.gz VLDVDWYOEDHJHP-QGZVFWFLSA-N 1 0 411.568 2.343 20 0 HEADRO CC(C)(C)OC(=O)N1CCCn2c(C[NH2+][C@H]3CCCC4(C3)OCCO4)nnc2C1 ZINC001169905896 1079471614 /nfs/dbraw/zinc/47/16/14/1079471614.db2.gz DPAFCRITJBUNEV-HNNXBMFYSA-N 1 0 407.515 2.194 20 0 HEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000771741914 1079475227 /nfs/dbraw/zinc/47/52/27/1079475227.db2.gz RTHHRLLWIUFCMQ-XOBRGWDASA-N 1 0 424.904 2.235 20 0 HEADRO FC(F)(F)c1ncc([C@H](C[NH2+][C@H]2CCCC3(C2)OCCO3)N2CCOCC2)cn1 ZINC001169916080 1079476863 /nfs/dbraw/zinc/47/68/63/1079476863.db2.gz KOIIUQHEMPQAOH-HOTGVXAUSA-N 1 0 416.444 2.144 20 0 HEADRO COc1ccc2c(c1)NC(=O)C[C@@H]2CNc1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001169918057 1079477509 /nfs/dbraw/zinc/47/75/09/1079477509.db2.gz OBDSYOCLMVPNMC-QRWLVFNGSA-N 1 0 406.486 2.384 20 0 HEADRO COc1ccccc1CC1([NH2+][C@H]2CCCC3(C2)OCCO3)CCS(=O)(=O)CC1 ZINC001169928767 1079478445 /nfs/dbraw/zinc/47/84/45/1079478445.db2.gz UVZVJVKAKOIPRD-SFHVURJKSA-N 1 0 409.548 2.460 20 0 HEADRO O=C(NCCS(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)OCc1ccccc1 ZINC000771759325 1079483770 /nfs/dbraw/zinc/48/37/70/1079483770.db2.gz UGKLBOWPLFCTPN-IBGZPJMESA-N 1 0 409.552 2.193 20 0 HEADRO Cc1nc(CN2CCOC[C@]3(C[N@@H+]([C@H]4CCCC5(C4)OCCO5)CCO3)C2)cs1 ZINC001169948955 1079490373 /nfs/dbraw/zinc/49/03/73/1079490373.db2.gz LMHBDDDBVQWMOQ-VQTJNVASSA-N 1 0 423.579 2.040 20 0 HEADRO Cc1ccc(N2CCOC[C@@]3(CCC[N@@H+]([C@H]4CCCC5(C4)OCCO5)C3)C2)nn1 ZINC001169951196 1079491433 /nfs/dbraw/zinc/49/14/33/1079491433.db2.gz XRWIEJWSRCZYNY-PZJWPPBQSA-N 1 0 402.539 2.390 20 0 HEADRO O=C(c1cccnc1)N1CCOC2(CC[NH+]([C@H]3CCCC4(C3)OCCO4)CC2)C1 ZINC001169950965 1079491484 /nfs/dbraw/zinc/49/14/84/1079491484.db2.gz YHVQPORWTCFLEI-IBGZPJMESA-N 1 0 401.507 2.074 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)COc2ccc(C=O)cc2)CC1 ZINC000737991023 1075948412 /nfs/dbraw/zinc/94/84/12/1075948412.db2.gz UDBKFELKSPGJPT-UHFFFAOYSA-N 1 0 411.502 2.167 20 0 HEADRO CCOC(=O)N[C@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)C(C)C ZINC000737994942 1075949050 /nfs/dbraw/zinc/94/90/50/1075949050.db2.gz RNDOSTZFNHMGML-FQEVSTJZSA-N 1 0 420.554 2.046 20 0 HEADRO CCOc1ccccc1N1C(=O)C(=O)N(CN2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000738071914 1075958125 /nfs/dbraw/zinc/95/81/25/1075958125.db2.gz RONQUABSDJXVDS-UHFFFAOYSA-N 1 0 414.506 2.146 20 0 HEADRO CCn1c(-c2cccs2)nn(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1=S ZINC000738161048 1075970756 /nfs/dbraw/zinc/97/07/56/1075970756.db2.gz MEPBEECHWWQJOH-UHFFFAOYSA-N 1 0 420.608 2.360 20 0 HEADRO CCCCCC[C@]1(C)NC(=O)N(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000738171687 1075972718 /nfs/dbraw/zinc/97/27/18/1075972718.db2.gz RJMSYKPBTGCNDH-KNQAVFIVSA-N 1 0 407.603 2.327 20 0 HEADRO C[N@@H+]1CCC[C@@H](N2CCN(Cn3nnn(-c4ccc(Cl)cc4)c3=S)CC2)C1 ZINC000738207951 1075973374 /nfs/dbraw/zinc/97/33/74/1075973374.db2.gz HTPYAIIXJPHCKS-QGZVFWFLSA-N 1 0 407.975 2.121 20 0 HEADRO CCn1c(=S)n(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)nc1-c1ccncc1 ZINC000738209485 1075974105 /nfs/dbraw/zinc/97/41/05/1075974105.db2.gz BURQUQJNKWGOJY-SFHVURJKSA-N 1 0 401.584 2.165 20 0 HEADRO Cn1c(-c2ccc(F)cc2)nn(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1=S ZINC000738210769 1075974137 /nfs/dbraw/zinc/97/41/37/1075974137.db2.gz FNFMQWHLCDKLAA-GOSISDBHSA-N 1 0 404.559 2.426 20 0 HEADRO C[NH+](C)CCOC1CCN(CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)CC1 ZINC000738212244 1075974253 /nfs/dbraw/zinc/97/42/53/1075974253.db2.gz YDAHONVEDNGDNI-HSZRJFAPSA-N 1 0 414.550 2.160 20 0 HEADRO C[NH+](C)CCOC1CCN(CN2c3cc(OC(F)(F)F)ccc3C(=O)C2=O)CC1 ZINC000738211319 1075974485 /nfs/dbraw/zinc/97/44/85/1075974485.db2.gz UYGFIFBQGAQICA-UHFFFAOYSA-N 1 0 415.412 2.115 20 0 HEADRO COc1ccc(C[C@]2(C)NC(=O)N(CN3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000738270067 1075977649 /nfs/dbraw/zinc/97/76/49/1075977649.db2.gz ITAAZXYOZMOJND-CVDCTZTESA-N 1 0 414.550 2.456 20 0 HEADRO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000738330079 1075982584 /nfs/dbraw/zinc/98/25/84/1075982584.db2.gz RLRHTVAAQZZGGQ-UHFFFAOYSA-N 1 0 417.506 2.483 20 0 HEADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000738312874 1075987854 /nfs/dbraw/zinc/98/78/54/1075987854.db2.gz DFGDEBOWSOPLFK-LZFQIVBZSA-N 1 0 416.522 2.394 20 0 HEADRO O=C(c1ccc(S(=O)(=O)Oc2cccc(-n3ccnc3)c2)cc1)N1CCOCC1 ZINC000738391526 1075993664 /nfs/dbraw/zinc/99/36/64/1075993664.db2.gz JTIVOYOUGTUWAQ-UHFFFAOYSA-N 1 0 413.455 2.112 20 0 HEADRO CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000738409222 1075994794 /nfs/dbraw/zinc/99/47/94/1075994794.db2.gz WGJOCAZPVKKKCE-AWEZNQCLSA-N 1 0 420.984 2.383 20 0 HEADRO COc1ccccc1[C@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000738342547 1075996409 /nfs/dbraw/zinc/99/64/09/1075996409.db2.gz ZFEAETJDOWITCI-INIZCTEOSA-N 1 0 414.506 2.161 20 0 HEADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738367135 1075998859 /nfs/dbraw/zinc/99/88/59/1075998859.db2.gz QKUBBDYNLPFZTG-UHFFFAOYSA-N 1 0 410.561 2.281 20 0 HEADRO CON(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000738515880 1075998974 /nfs/dbraw/zinc/99/89/74/1075998974.db2.gz CENXPJOCWGIGBM-UHFFFAOYSA-N 1 0 405.520 2.202 20 0 HEADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)C2=O)cc1 ZINC000738521452 1075999393 /nfs/dbraw/zinc/99/93/93/1075999393.db2.gz IFKSFVAWIOLHNZ-DEOSSOPVSA-N 1 0 422.529 2.482 20 0 HEADRO CN(C(=O)NC[C@H]1COC2(CCCCCC2)O1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771776822 1079498568 /nfs/dbraw/zinc/49/85/68/1079498568.db2.gz GQVWCTDSOAFYGY-UXHICEINSA-N 1 0 408.587 2.262 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NCCc1ccc(C(C)C)cc1)CC2 ZINC000771779087 1079500899 /nfs/dbraw/zinc/50/08/99/1079500899.db2.gz BCMGVUOVZGWCOI-UHFFFAOYSA-N 1 0 401.507 2.253 20 0 HEADRO C[C@H](CNC(=O)Nc1cc2c(cc1Br)OCCO2)CN1CCOCC1 ZINC000738886103 1076021681 /nfs/dbraw/zinc/02/16/81/1076021681.db2.gz WUMHTFYRQLJIQZ-GFCCVEGCSA-N 1 0 414.300 2.310 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000739084793 1076034637 /nfs/dbraw/zinc/03/46/37/1076034637.db2.gz FEECRVACGQKIKL-APWZRJJASA-N 1 0 404.555 2.333 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000739067726 1076035317 /nfs/dbraw/zinc/03/53/17/1076035317.db2.gz LZLMCELWYDHOQL-UWJYYQICSA-N 1 0 410.518 2.269 20 0 HEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000739078497 1076038496 /nfs/dbraw/zinc/03/84/96/1076038496.db2.gz CPAWUWBRJSFUDB-RDGPPVDQSA-N 1 0 416.566 2.333 20 0 HEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000739090009 1076043617 /nfs/dbraw/zinc/04/36/17/1076043617.db2.gz RTPGNKISTFQAEL-OLZOCXBDSA-N 1 0 417.453 2.101 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000739090310 1076043694 /nfs/dbraw/zinc/04/36/94/1076043694.db2.gz UAOXECFPZXERGP-OKZBNKHCSA-N 1 0 402.539 2.229 20 0 HEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)C1 ZINC000739091239 1076043880 /nfs/dbraw/zinc/04/38/80/1076043880.db2.gz VHMPPLXRWIRHBT-QZTJIDSGSA-N 1 0 402.539 2.087 20 0 HEADRO O=C(Nc1cccc(CN2CCOC2=O)c1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000739116842 1076045454 /nfs/dbraw/zinc/04/54/54/1076045454.db2.gz CMXHWFHYCAMQLP-UHFFFAOYSA-N 1 0 414.506 2.054 20 0 HEADRO O=C(Nc1cc(N2CCCC2=O)ccc1F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000739116862 1076045592 /nfs/dbraw/zinc/04/55/92/1076045592.db2.gz CSSSMUARBNNXKI-MRXNPFEDSA-N 1 0 416.497 2.368 20 0 HEADRO O=C(Nc1ccccc1N1CCOC1=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000739119189 1076046086 /nfs/dbraw/zinc/04/60/86/1076046086.db2.gz KNLHVYHGTDTYJQ-INIZCTEOSA-N 1 0 400.479 2.059 20 0 HEADRO COC(=O)Nc1cc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)ccc1F ZINC000739121670 1076047427 /nfs/dbraw/zinc/04/74/27/1076047427.db2.gz WUGRVCCWKGTEMP-UHFFFAOYSA-N 1 0 406.458 2.419 20 0 HEADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000739459861 1076062411 /nfs/dbraw/zinc/06/24/11/1076062411.db2.gz YYUXGVGJKOFPDG-AWEZNQCLSA-N 1 0 401.960 2.197 20 0 HEADRO COC(=O)C1=C(CN2CC[C@H](C[NH+]3CCCC3)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000739926311 1076093683 /nfs/dbraw/zinc/09/36/83/1076093683.db2.gz LNRCGXBORCCTTR-UTKZUKDTSA-N 1 0 412.534 2.228 20 0 HEADRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000739926952 1076093945 /nfs/dbraw/zinc/09/39/45/1076093945.db2.gz PKVGFGQPIBNJOU-IERDGZPVSA-N 1 0 402.495 2.148 20 0 HEADRO NC(=O)c1c(NC(=O)CCN2CC[C@@H](C[NH+]3CCCC3)C2)sc2c1CCCC2 ZINC000739927003 1076094325 /nfs/dbraw/zinc/09/43/25/1076094325.db2.gz YZEZADCFVFUOLL-HNNXBMFYSA-N 1 0 404.580 2.472 20 0 HEADRO Cc1c(C(=O)NC[C@](C)(O)c2cccs2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000740158720 1076114523 /nfs/dbraw/zinc/11/45/23/1076114523.db2.gz OQENSKCIJSMYHD-NRFANRHFSA-N 1 0 411.531 2.263 20 0 HEADRO COc1ccc([C@H](CNC(=O)COC(=O)C[C@H]2CCOC2)[NH+]2CCCCC2)cc1 ZINC000740390240 1076160479 /nfs/dbraw/zinc/16/04/79/1076160479.db2.gz ZPEZIERMXJNQMT-XLIONFOSSA-N 1 0 404.507 2.308 20 0 HEADRO O=C(Nc1ccc(-n2cnc3ccccc32)nc1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000740512744 1076199244 /nfs/dbraw/zinc/19/92/44/1076199244.db2.gz MNHMRDIMPMXOFT-KRWDZBQOSA-N 1 0 418.501 2.303 20 0 HEADRO CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000740513166 1076199427 /nfs/dbraw/zinc/19/94/27/1076199427.db2.gz REDOUNYMKCMCBF-INIZCTEOSA-N 1 0 400.523 2.098 20 0 HEADRO C[NH+](C)CCn1ccc2ccc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)cc21 ZINC000740691481 1076224962 /nfs/dbraw/zinc/22/49/62/1076224962.db2.gz TZBGMOJBPGPFRS-OAQYLSRUSA-N 1 0 418.501 2.262 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)C[C@H]1C ZINC000740840896 1076264278 /nfs/dbraw/zinc/26/42/78/1076264278.db2.gz HMAXDXOEKNSKLV-NRJQMVOHSA-N 1 0 400.523 2.093 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)C[C@@H]1C ZINC000740841804 1076265111 /nfs/dbraw/zinc/26/51/11/1076265111.db2.gz YLIAUAQIDNWCJF-HOCLYGCPSA-N 1 0 407.536 2.184 20 0 HEADRO CNC(=O)c1nn(CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c(=O)c2ccccc21 ZINC000740864309 1076274482 /nfs/dbraw/zinc/27/44/82/1076274482.db2.gz CFCZWKVHHIPSFZ-SFHVURJKSA-N 1 0 419.529 2.310 20 0 HEADRO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCCC[C@H]3CCNS(C)(=O)=O)ccc12 ZINC000740875309 1076277948 /nfs/dbraw/zinc/27/79/48/1076277948.db2.gz RVLPXCGOZPOVGD-INIZCTEOSA-N 1 0 408.520 2.274 20 0 HEADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000740880862 1076281663 /nfs/dbraw/zinc/28/16/63/1076281663.db2.gz DSBLIWFSVRIPOC-SZVBFZGTSA-N 1 0 422.522 2.448 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@H]1C ZINC000740883338 1076283126 /nfs/dbraw/zinc/28/31/26/1076283126.db2.gz NOAKXXVXCNNRNC-KGLIPLIRSA-N 1 0 403.495 2.426 20 0 HEADRO CCC[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740883048 1076283350 /nfs/dbraw/zinc/28/33/50/1076283350.db2.gz MESLXFWGCDVHFI-JQHSSLGASA-N 1 0 420.554 2.188 20 0 HEADRO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1CCCN1C(=O)CNC1=O ZINC000740886886 1076285836 /nfs/dbraw/zinc/28/58/36/1076285836.db2.gz FWPMRFYEQLRBPB-MOPGFXCFSA-N 1 0 416.522 2.440 20 0 HEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@H](O)c3c(F)cccc3F)cc2)CC1 ZINC000740907049 1076287205 /nfs/dbraw/zinc/28/72/05/1076287205.db2.gz HYOJCFRZVPIOIN-HXUWFJFHSA-N 1 0 418.488 2.245 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@@H](O)c3ccccc3Cl)ccn2)CC1 ZINC000740908666 1076287358 /nfs/dbraw/zinc/28/73/58/1076287358.db2.gz XKEWFBZGBBYLRM-GOSISDBHSA-N 1 0 403.914 2.020 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000740899169 1076296232 /nfs/dbraw/zinc/29/62/32/1076296232.db2.gz VEWJYDJGMJERRD-SJORKVTESA-N 1 0 411.955 2.460 20 0 HEADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H](O)c2ccccc2Cl)c1 ZINC000740911233 1076302698 /nfs/dbraw/zinc/30/26/98/1076302698.db2.gz KIJZCNNLBZAVGD-IBGZPJMESA-N 1 0 418.925 2.164 20 0 HEADRO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740916877 1076304640 /nfs/dbraw/zinc/30/46/40/1076304640.db2.gz DRFCNMLKHDRIPY-AOIWGVFYSA-N 1 0 423.602 2.100 20 0 HEADRO COc1ccc([C@H](CNC(=O)COC(=O)/C=C/c2cnccn2)[NH+]2CCCCC2)cc1 ZINC000740966092 1076314540 /nfs/dbraw/zinc/31/45/40/1076314540.db2.gz RCQKQZMTRVPAQU-CLNPQZTCSA-N 1 0 424.501 2.385 20 0 HEADRO CC[C@H](C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[NH+](CC)CC ZINC000741034106 1076332306 /nfs/dbraw/zinc/33/23/06/1076332306.db2.gz XKYQQZYKTMFWCJ-LJQANCHMSA-N 1 0 403.523 2.071 20 0 HEADRO COc1ccc(Cl)c(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)c1 ZINC001137263351 1076338229 /nfs/dbraw/zinc/33/82/29/1076338229.db2.gz LZCUEKYPSHMLQT-LMMKCTJWSA-N 1 0 408.926 2.292 20 0 HEADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000741071093 1076353338 /nfs/dbraw/zinc/35/33/38/1076353338.db2.gz QLUKOFCNGATSQQ-MSOLQXFVSA-N 1 0 410.540 2.213 20 0 HEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H](CCO)c3cccs3)cc2)CC1 ZINC000741076660 1076354866 /nfs/dbraw/zinc/35/48/66/1076354866.db2.gz JMNZIFYUGKNXPX-LJQANCHMSA-N 1 0 402.564 2.418 20 0 HEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2F)c(OCC[NH+](C)C)c1 ZINC000741105496 1076358063 /nfs/dbraw/zinc/35/80/63/1076358063.db2.gz WCANTSPQZJODOL-QGZVFWFLSA-N 1 0 421.444 2.002 20 0 HEADRO COc1ccc([C@@H]2[C@H](COC(=O)CCCN3C(=O)NC(C)(C)C3=O)CC[N@@H+]2C)cc1 ZINC000741125524 1076381137 /nfs/dbraw/zinc/38/11/37/1076381137.db2.gz WTGGUAIXCTZEAT-QFBILLFUSA-N 1 0 417.506 2.342 20 0 HEADRO C[C@@H](CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)N1CC[NH+](C)CC1 ZINC000741158392 1076390308 /nfs/dbraw/zinc/39/03/08/1076390308.db2.gz RCOIOMVZHBXCPF-AWEZNQCLSA-N 1 0 415.506 2.130 20 0 HEADRO O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001066352386 1076390640 /nfs/dbraw/zinc/39/06/40/1076390640.db2.gz QFQIYJYWOHGOJY-YENHRIDLSA-N 1 0 403.567 2.173 20 0 HEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000741209312 1076404229 /nfs/dbraw/zinc/40/42/29/1076404229.db2.gz JIOFPOWBPUDGOC-UXHICEINSA-N 1 0 414.527 2.254 20 0 HEADRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCC(=O)Nc1ccc(N3CCOCC3)cc1)CC2 ZINC000741250994 1076419574 /nfs/dbraw/zinc/41/95/74/1076419574.db2.gz HYJNIJMERBAAFQ-LEWJYISDSA-N 1 0 417.550 2.104 20 0 HEADRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)CC2 ZINC000741250415 1076420121 /nfs/dbraw/zinc/42/01/21/1076420121.db2.gz HDTUAHJXUUCZOX-UXHICEINSA-N 1 0 415.534 2.159 20 0 HEADRO CCN1CC[NH+](CCCCNC(=O)NC[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000741267890 1076437397 /nfs/dbraw/zinc/43/73/97/1076437397.db2.gz DGFBVGOVDOZPJD-QGZVFWFLSA-N 1 0 400.926 2.229 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000741267543 1076437628 /nfs/dbraw/zinc/43/76/28/1076437628.db2.gz JOGOXYNKBYTLEJ-YLJYHZDGSA-N 1 0 403.523 2.392 20 0 HEADRO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741255067 1076444839 /nfs/dbraw/zinc/44/48/39/1076444839.db2.gz DZPDRSRKLBCNCW-LAUBAEHRSA-N 1 0 403.548 2.437 20 0 HEADRO O=C(COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1nnc([C@H]2CCCO2)o1 ZINC000741328348 1076478151 /nfs/dbraw/zinc/47/81/51/1076478151.db2.gz RKWORIMPNWNMIL-IAGOWNOFSA-N 1 0 414.462 2.315 20 0 HEADRO O=C(COC(=O)C1CC[NH+](Cc2ccccc2)CC1)Nc1nnc([C@H]2CCCO2)o1 ZINC000741331639 1076479499 /nfs/dbraw/zinc/47/94/99/1076479499.db2.gz VBTVJBOJWMVNNK-QGZVFWFLSA-N 1 0 414.462 2.315 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000741412579 1076514583 /nfs/dbraw/zinc/51/45/83/1076514583.db2.gz SMERKSTXNPZIPE-ROUUACIJSA-N 1 0 410.559 2.232 20 0 HEADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000741602533 1076562285 /nfs/dbraw/zinc/56/22/85/1076562285.db2.gz FKOASYJCVKMSHX-MTJSOVHGSA-N 1 0 420.492 2.334 20 0 HEADRO CC(C)c1ccc(N2CC[C@@H](C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2=O)cc1 ZINC000741693056 1076588991 /nfs/dbraw/zinc/58/89/91/1076588991.db2.gz JOQBPJFJPWXYNK-YADHBBJMSA-N 1 0 412.578 2.401 20 0 HEADRO O=C1NC2(CCCC2)C(=O)N1CCN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000741775075 1076622216 /nfs/dbraw/zinc/62/22/16/1076622216.db2.gz DSWGPZFOFLSYFY-UHFFFAOYSA-N 1 0 407.518 2.217 20 0 HEADRO Cn1cc(C(=O)NCC2CC[NH+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cn1 ZINC000741785737 1076626656 /nfs/dbraw/zinc/62/66/56/1076626656.db2.gz YHCNVVVNFTVPAL-KRWDZBQOSA-N 1 0 405.543 2.119 20 0 HEADRO Cn1cc(C(=O)NCC2CC[NH+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cn1 ZINC000741785738 1076626831 /nfs/dbraw/zinc/62/68/31/1076626831.db2.gz YHCNVVVNFTVPAL-QGZVFWFLSA-N 1 0 405.543 2.119 20 0 HEADRO COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000741788671 1076627918 /nfs/dbraw/zinc/62/79/18/1076627918.db2.gz YDTZWMPAZCPLQO-JZQBQCRLSA-N 1 0 409.596 2.410 20 0 HEADRO Cc1cccc(C2(O)CC[NH+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)c1C ZINC000741811799 1076635242 /nfs/dbraw/zinc/63/52/42/1076635242.db2.gz RYQAJJLHGGQVKL-FQEVSTJZSA-N 1 0 423.513 2.465 20 0 HEADRO Cc1cccc(C2(O)CC[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)c1C ZINC000741811800 1076635278 /nfs/dbraw/zinc/63/52/78/1076635278.db2.gz RYQAJJLHGGQVKL-HXUWFJFHSA-N 1 0 423.513 2.465 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 ZINC000741819843 1076639802 /nfs/dbraw/zinc/63/98/02/1076639802.db2.gz UCVVIWGJXFAFTC-CYBMUJFWSA-N 1 0 405.520 2.265 20 0 HEADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCCC(C)(C)CC3)C2=O)cc1 ZINC000741804217 1076642975 /nfs/dbraw/zinc/64/29/75/1076642975.db2.gz DJBGGYCLIKOMDB-NRFANRHFSA-N 1 0 402.495 2.006 20 0 HEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000741858602 1076657738 /nfs/dbraw/zinc/65/77/38/1076657738.db2.gz ABNIQFHFJQJBBQ-KRWDZBQOSA-N 1 0 422.620 2.192 20 0 HEADRO C[NH+]1CCC(NC(=S)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000741867660 1076659782 /nfs/dbraw/zinc/65/97/82/1076659782.db2.gz BBCNXYZGDGEFAS-INIZCTEOSA-N 1 0 412.506 2.342 20 0 HEADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)C1 ZINC000741875991 1076663145 /nfs/dbraw/zinc/66/31/45/1076663145.db2.gz QAVKQQTZOXRSGO-GJZGRUSLSA-N 1 0 408.534 2.468 20 0 HEADRO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000742012449 1076707498 /nfs/dbraw/zinc/70/74/98/1076707498.db2.gz VDZFRDADHOKATH-YSLLPBIDSA-N 1 0 422.639 2.311 20 0 HEADRO COc1ccc2c(C)c(CCC(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)c(=O)oc2c1 ZINC000742107643 1076744151 /nfs/dbraw/zinc/74/41/51/1076744151.db2.gz QUPQEVHQSZCFOT-QGZVFWFLSA-N 1 0 414.502 2.223 20 0 HEADRO COc1cccc(/C=C(/C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n2nnnc2C)c1 ZINC000742118884 1076747844 /nfs/dbraw/zinc/74/78/44/1076747844.db2.gz QLIFSNNACLAGHJ-BJLUOBIUSA-N 1 0 410.522 2.323 20 0 HEADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)C2=O)cc1 ZINC000742136161 1076752179 /nfs/dbraw/zinc/75/21/79/1076752179.db2.gz QNSDKCMTBLNNSP-AVRDEDQJSA-N 1 0 400.523 2.095 20 0 HEADRO COc1ccc(Cc2nn(CN3CC[C@@H](C[NH+]4CCOCC4)C3)c(=S)o2)cc1 ZINC000742163658 1076760713 /nfs/dbraw/zinc/76/07/13/1076760713.db2.gz CZDQZMUWOHVQQI-KRWDZBQOSA-N 1 0 404.536 2.417 20 0 HEADRO COc1ccc(Cc2nn(CN3CC[NH+](CC(C)(C)O)CC3)c(=S)o2)cc1OC ZINC000742150180 1076766927 /nfs/dbraw/zinc/76/69/27/1076766927.db2.gz BOLBYQNHQZDEMP-UHFFFAOYSA-N 1 0 422.551 2.160 20 0 HEADRO COc1ccccc1-c1nn(CN2CC[C@H](C[NH+]3CCOCC3)C2)c(=S)n1C ZINC000742160972 1076771811 /nfs/dbraw/zinc/77/18/11/1076771811.db2.gz BNKLOVJSLDBZLX-MRXNPFEDSA-N 1 0 403.552 2.238 20 0 HEADRO CCCn1c(=S)n(CN2CC[C@@H](C[NH+]3CCOCC3)C2)nc1-c1ccncc1 ZINC000742161123 1076772821 /nfs/dbraw/zinc/77/28/21/1076772821.db2.gz GLCAPYZVIFXIIP-KRWDZBQOSA-N 1 0 402.568 2.498 20 0 HEADRO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000742162627 1076773408 /nfs/dbraw/zinc/77/34/08/1076773408.db2.gz XBMUISBULGJNJI-MHECFPHRSA-N 1 0 422.529 2.218 20 0 HEADRO COc1ccc(C(=O)N2CCC23CC[NH+](C)CC3)cc1S(=O)(=O)NC(C)(C)C ZINC000742183301 1076774752 /nfs/dbraw/zinc/77/47/52/1076774752.db2.gz DNZOQWBXSSQZOP-UHFFFAOYSA-N 1 0 409.552 2.082 20 0 HEADRO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC23CC[NH+](C)CC3)cc1 ZINC000742184423 1076775092 /nfs/dbraw/zinc/77/50/92/1076775092.db2.gz UJYVYZBNDDOJCY-UHFFFAOYSA-N 1 0 407.580 2.346 20 0 HEADRO C[NH+]1CCC2(CCN2C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000742186165 1076775899 /nfs/dbraw/zinc/77/58/99/1076775899.db2.gz WKEOVNCZCNFUNV-UHFFFAOYSA-N 1 0 420.579 2.115 20 0 HEADRO COc1ccc(-n2c(C)nnc2SCC(=O)N2CCC23CC[NH+](C)CC3)cc1 ZINC000742187833 1076776842 /nfs/dbraw/zinc/77/68/42/1076776842.db2.gz TWMBVHXJCLKFNV-UHFFFAOYSA-N 1 0 401.536 2.373 20 0 HEADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CSC(=O)N1 ZINC000742244554 1076805071 /nfs/dbraw/zinc/80/50/71/1076805071.db2.gz ITDKWFFFBTYSGX-FQEVSTJZSA-N 1 0 410.543 2.450 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000742273315 1076807827 /nfs/dbraw/zinc/80/78/27/1076807827.db2.gz KBZCBSDOPCLMEC-UHFFFAOYSA-N 1 0 413.540 2.127 20 0 HEADRO C[NH+](C)C1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000742276493 1076808694 /nfs/dbraw/zinc/80/86/94/1076808694.db2.gz HPPULEAJMJJQOU-IBGZPJMESA-N 1 0 409.552 2.143 20 0 HEADRO C[C@@H]1C[C@@H](NS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC[N@@H+]1C ZINC000742308404 1076814400 /nfs/dbraw/zinc/81/44/00/1076814400.db2.gz FIMJXYRGJSPZEE-NEWSRXKRSA-N 1 0 409.552 2.190 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)cc1F ZINC000742309697 1076814744 /nfs/dbraw/zinc/81/47/44/1076814744.db2.gz UEVBSAHWUHQGNP-NXEZZACHSA-N 1 0 423.304 2.136 20 0 HEADRO CCOC(=O)N1CCC(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC1 ZINC000742282574 1076815257 /nfs/dbraw/zinc/81/52/57/1076815257.db2.gz DVJHMHNTXJIDGC-UHFFFAOYSA-N 1 0 415.531 2.140 20 0 HEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293431 1076819815 /nfs/dbraw/zinc/81/98/15/1076819815.db2.gz HCTJTALIQSYVJF-UXHICEINSA-N 1 0 423.579 2.296 20 0 HEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293433 1076819867 /nfs/dbraw/zinc/81/98/67/1076819867.db2.gz HCTJTALIQSYVJF-WOJBJXKFSA-N 1 0 423.579 2.296 20 0 HEADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742296932 1076820928 /nfs/dbraw/zinc/82/09/28/1076820928.db2.gz HUCUIXFLGYIXQK-UXHICEINSA-N 1 0 423.579 2.249 20 0 HEADRO CN(CCCC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C(=O)OC(C)(C)C ZINC000742324696 1076824210 /nfs/dbraw/zinc/82/42/10/1076824210.db2.gz IVPQDOZECOISIH-UHFFFAOYSA-N 1 0 405.543 2.097 20 0 HEADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CNC(=O)OCc3ccccc3)c2)CC1 ZINC000742336749 1076826005 /nfs/dbraw/zinc/82/60/05/1076826005.db2.gz HROUGPWFQCLAPG-UHFFFAOYSA-N 1 0 424.501 2.249 20 0 HEADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000742316230 1076828526 /nfs/dbraw/zinc/82/85/26/1076828526.db2.gz FWUMKKZPJBOGAY-JCSUNJAGSA-N 1 0 415.353 2.404 20 0 HEADRO Cn1ccnc1[C@](O)(C[NH2+]Cc1cnc2ccc(Br)cn12)C(F)(F)F ZINC000742370767 1076834563 /nfs/dbraw/zinc/83/45/63/1076834563.db2.gz MARKSYZFNFJYRB-CQSZACIVSA-N 1 0 418.217 2.370 20 0 HEADRO CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1OC ZINC000742375657 1076834832 /nfs/dbraw/zinc/83/48/32/1076834832.db2.gz UMDQIUGGTKWXKH-LJQANCHMSA-N 1 0 411.502 2.414 20 0 HEADRO CCCCc1nnc(S[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1N ZINC000742454953 1076843241 /nfs/dbraw/zinc/84/32/41/1076843241.db2.gz RIXBHSGJJPIRDR-DOTOQJQBSA-N 1 0 402.568 2.206 20 0 HEADRO C[C@@H](C(=O)NCCN1CC[NH+](C)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000742500559 1076845621 /nfs/dbraw/zinc/84/56/21/1076845621.db2.gz DVUFDRJNAUAGBI-MJGOQNOKSA-N 1 0 404.555 2.252 20 0 HEADRO CCCN1C(=O)C(=O)N(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000742540249 1076849776 /nfs/dbraw/zinc/84/97/76/1076849776.db2.gz CORUJVMFYPSMJA-UHFFFAOYSA-N 1 0 424.295 2.203 20 0 HEADRO O=C(Nc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1)OCC(F)(F)F ZINC000742599481 1076855028 /nfs/dbraw/zinc/85/50/28/1076855028.db2.gz WAOGMCKXVFYTJY-LSDHHAIUSA-N 1 0 401.385 2.390 20 0 HEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000742646011 1076857408 /nfs/dbraw/zinc/85/74/08/1076857408.db2.gz CNUQIFUCGPHADU-CYBMUJFWSA-N 1 0 402.417 2.163 20 0 HEADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)C2)CC1 ZINC000742667514 1076862379 /nfs/dbraw/zinc/86/23/79/1076862379.db2.gz VRXGTLQZVJWNGC-HNNXBMFYSA-N 1 0 406.527 2.203 20 0 HEADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000742949721 1076899617 /nfs/dbraw/zinc/89/96/17/1076899617.db2.gz SZKAILPLPNGAEJ-UGKGYDQZSA-N 1 0 419.529 2.087 20 0 HEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000743010938 1076925025 /nfs/dbraw/zinc/92/50/25/1076925025.db2.gz JPMXNAYTHRYZSW-GOSISDBHSA-N 1 0 408.999 2.386 20 0 HEADRO C[C@@H](OC(=O)c1cccc2c1OCCO2)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743015356 1076928257 /nfs/dbraw/zinc/92/82/57/1076928257.db2.gz YFHHDFMWGGINAQ-AEFFLSMTSA-N 1 0 410.470 2.394 20 0 HEADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc2c1COC2=O ZINC000743049658 1076938167 /nfs/dbraw/zinc/93/81/67/1076938167.db2.gz RYLQSQMLFQDUAP-QGZVFWFLSA-N 1 0 400.500 2.500 20 0 HEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000743075016 1076943899 /nfs/dbraw/zinc/94/38/99/1076943899.db2.gz WPTJZXHCXGMDND-CQSZACIVSA-N 1 0 405.467 2.041 20 0 HEADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccccc1 ZINC000743207143 1076998905 /nfs/dbraw/zinc/99/89/05/1076998905.db2.gz DHHHHURPNZBTEJ-QGZVFWFLSA-N 1 0 407.540 2.132 20 0 HEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccc(N3CCSCC3)cc2)CC1 ZINC000743186568 1077002242 /nfs/dbraw/zinc/00/22/42/1077002242.db2.gz JEMWIYPQXWPTGN-UHFFFAOYSA-N 1 0 419.595 2.162 20 0 HEADRO COc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1N1CCOC1=O ZINC000743232206 1077008603 /nfs/dbraw/zinc/00/86/03/1077008603.db2.gz NOZPMWLDNAKOAX-KRWDZBQOSA-N 1 0 418.494 2.417 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1F ZINC000743369078 1077033742 /nfs/dbraw/zinc/03/37/42/1077033742.db2.gz LINIQZUQVSVMKA-HNNXBMFYSA-N 1 0 416.428 2.252 20 0 HEADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000743375112 1077035249 /nfs/dbraw/zinc/03/52/49/1077035249.db2.gz GEJASPJOXNRLIN-WMLDXEAASA-N 1 0 407.584 2.401 20 0 HEADRO CCOc1ccccc1N1C(=O)C(=O)N(CN2CC[C@@H](C[NH+](CC)CC)C2)C1=O ZINC000743388957 1077039463 /nfs/dbraw/zinc/03/94/63/1077039463.db2.gz XDFJMHHBTDCSSU-INIZCTEOSA-N 1 0 402.495 2.002 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)C1 ZINC000743390108 1077039616 /nfs/dbraw/zinc/03/96/16/1077039616.db2.gz MNYUXSNYIOTAOW-OAHLLOKOSA-N 1 0 400.552 2.338 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(Cn2nc(-c3ccco3)n(CCC(N)=O)c2=S)C1 ZINC000743391166 1077040020 /nfs/dbraw/zinc/04/00/20/1077040020.db2.gz XVAGBQQKUVHJCA-HNNXBMFYSA-N 1 0 406.556 2.171 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000743390697 1077040072 /nfs/dbraw/zinc/04/00/72/1077040072.db2.gz UZRYDVJYFRUGLY-DNBYOKIBSA-N 1 0 416.566 2.367 20 0 HEADRO CCC[N@H+](C)C[C@@H]1CCN(Cn2nnn(-c3cc(OC)ccc3OC)c2=S)C1 ZINC000743393569 1077041241 /nfs/dbraw/zinc/04/12/41/1077041241.db2.gz VNKWDWGQCRXLCQ-HNNXBMFYSA-N 1 0 406.556 2.437 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(F)cc1F ZINC000743394620 1077041467 /nfs/dbraw/zinc/04/14/67/1077041467.db2.gz DSDFPRGNCCRZNB-MPBGBICISA-N 1 0 410.465 2.488 20 0 HEADRO CNC(=O)c1nn(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(=O)c2ccccc21 ZINC000743405866 1077047568 /nfs/dbraw/zinc/04/75/68/1077047568.db2.gz PAFNZJIECMLSMV-SFHVURJKSA-N 1 0 419.529 2.310 20 0 HEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000743435072 1077054581 /nfs/dbraw/zinc/05/45/81/1077054581.db2.gz XLLXEXYUCJBLET-BRWVUGGUSA-N 1 0 420.529 2.224 20 0 HEADRO C[C@H](Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000743477642 1077055168 /nfs/dbraw/zinc/05/51/68/1077055168.db2.gz MNCOYYVVGZPKLJ-KRWDZBQOSA-N 1 0 415.582 2.002 20 0 HEADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)c3cc(C)oc3C)cn2)CC1 ZINC000743538410 1077070561 /nfs/dbraw/zinc/07/05/61/1077070561.db2.gz WMFGGSBGZIFKSM-JOCHJYFZSA-N 1 0 415.538 2.140 20 0 HEADRO COc1ccccc1OCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000743621976 1077076422 /nfs/dbraw/zinc/07/64/22/1077076422.db2.gz HTLDJCFCSINKSG-CQSZACIVSA-N 1 0 413.927 2.382 20 0 HEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000743622590 1077076627 /nfs/dbraw/zinc/07/66/27/1077076627.db2.gz IXRKIZPUQVRMGF-NRFANRHFSA-N 1 0 403.571 2.131 20 0 HEADRO CN(C[C@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)OC(C)(C)C ZINC000743625625 1077082307 /nfs/dbraw/zinc/08/23/07/1077082307.db2.gz FBYFKTVSMPYZQI-PKOBYXMFSA-N 1 0 423.602 2.196 20 0 HEADRO O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000743699264 1077092697 /nfs/dbraw/zinc/09/26/97/1077092697.db2.gz DCWYHFQNCPNOFA-LJQANCHMSA-N 1 0 407.514 2.264 20 0 HEADRO C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743708296 1077094252 /nfs/dbraw/zinc/09/42/52/1077094252.db2.gz VOLAOJUXRJEYRJ-UONOGXRCSA-N 1 0 406.918 2.386 20 0 HEADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000743764166 1077116903 /nfs/dbraw/zinc/11/69/03/1077116903.db2.gz AMJHZHIHPHIFBF-AVRDEDQJSA-N 1 0 405.539 2.289 20 0 HEADRO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000743765364 1077118163 /nfs/dbraw/zinc/11/81/63/1077118163.db2.gz IXKLAQJCEYMWAN-UTKZUKDTSA-N 1 0 421.563 2.050 20 0 HEADRO C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000743766201 1077119098 /nfs/dbraw/zinc/11/90/98/1077119098.db2.gz UNGRHBRNWMXBMZ-MHECFPHRSA-N 1 0 405.498 2.255 20 0 HEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000743765773 1077120404 /nfs/dbraw/zinc/12/04/04/1077120404.db2.gz NDVXRUKIYHFSPQ-HXUWFJFHSA-N 1 0 424.469 2.050 20 0 HEADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2F)[C@@H]1c1cccs1 ZINC000743824637 1077135020 /nfs/dbraw/zinc/13/50/20/1077135020.db2.gz UPXGQVJMNFQKGR-YVEFUNNKSA-N 1 0 411.524 2.348 20 0 HEADRO CC[N@H+](CCC(=O)N1CCC[C@H]1C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000743840005 1077140865 /nfs/dbraw/zinc/14/08/65/1077140865.db2.gz POHFGNVUROVMHQ-GOSISDBHSA-N 1 0 402.539 2.185 20 0 HEADRO Cc1ccc(N2CCC[C@H]([NH+]3CCC(CNC(=O)c4cnn(C)c4)CC3)C2=O)cc1 ZINC000743851117 1077142021 /nfs/dbraw/zinc/14/20/21/1077142021.db2.gz KIFCXAIPYQDPRP-NRFANRHFSA-N 1 0 409.534 2.366 20 0 HEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NC3CCCCCCC3)cc2)CC1 ZINC000743878839 1077162297 /nfs/dbraw/zinc/16/22/97/1077162297.db2.gz OIXOSPMQFQNINQ-UHFFFAOYSA-N 1 0 416.566 2.480 20 0 HEADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(N3CCSCC3)cc2)CC1 ZINC000743879428 1077162515 /nfs/dbraw/zinc/16/25/15/1077162515.db2.gz BTRARZDJZCMJBR-UHFFFAOYSA-N 1 0 404.580 2.417 20 0 HEADRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000743912532 1077188678 /nfs/dbraw/zinc/18/86/78/1077188678.db2.gz WLAHPFJDGQHHNR-CABCVRRESA-N 1 0 404.511 2.279 20 0 HEADRO Cc1c(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cccc1N1CCOC1=O ZINC000743892022 1077203134 /nfs/dbraw/zinc/20/31/34/1077203134.db2.gz VVIYEYHUMDDOQR-UHFFFAOYSA-N 1 0 414.506 2.225 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[NH+]1CCCCC1 ZINC000743895745 1077207383 /nfs/dbraw/zinc/20/73/83/1077207383.db2.gz UAQSXYMQCGMJNB-INIZCTEOSA-N 1 0 409.490 2.263 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000743939141 1077232358 /nfs/dbraw/zinc/23/23/58/1077232358.db2.gz JCOHVYYYMCWTNA-VAMGGRTRSA-N 1 0 414.550 2.087 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000743941422 1077234626 /nfs/dbraw/zinc/23/46/26/1077234626.db2.gz SMPPDPNHOVVXSG-XUVXKRRUSA-N 1 0 414.550 2.087 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)CC1 ZINC000743943077 1077237555 /nfs/dbraw/zinc/23/75/55/1077237555.db2.gz UVYWYGWRYJMWKE-UHFFFAOYSA-N 1 0 404.902 2.097 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)CC1 ZINC000743943044 1077237725 /nfs/dbraw/zinc/23/77/25/1077237725.db2.gz STSSLILJGHXHDA-UHFFFAOYSA-N 1 0 408.930 2.219 20 0 HEADRO CCCCN(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000743944165 1077238646 /nfs/dbraw/zinc/23/86/46/1077238646.db2.gz HQPLZATZSPTQCB-SFHVURJKSA-N 1 0 402.539 2.042 20 0 HEADRO O=C(Nc1ccccc1CC(F)(F)F)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743945373 1077239245 /nfs/dbraw/zinc/23/92/45/1077239245.db2.gz UUFILGSZXCHNNS-INIZCTEOSA-N 1 0 413.440 2.490 20 0 HEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)CC1 ZINC000743920354 1077242877 /nfs/dbraw/zinc/24/28/77/1077242877.db2.gz XEFARCMTBDXAFD-KRWDZBQOSA-N 1 0 402.539 2.231 20 0 HEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CC[N@@H+]1C ZINC000743931546 1077256381 /nfs/dbraw/zinc/25/63/81/1077256381.db2.gz OOEHHIFLNJPZRU-GXTWGEPZSA-N 1 0 403.870 2.460 20 0 HEADRO Cc1ccccc1O[C@@H](C)CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000743963092 1077271089 /nfs/dbraw/zinc/27/10/89/1077271089.db2.gz CZWQUWQDECGEBR-SFHVURJKSA-N 1 0 410.518 2.269 20 0 HEADRO COc1ccccc1C[C@H](C)N(C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000743968977 1077274148 /nfs/dbraw/zinc/27/41/48/1077274148.db2.gz ADYZFYFTLADRHQ-SFHVURJKSA-N 1 0 424.545 2.475 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)C1 ZINC000743972323 1077275785 /nfs/dbraw/zinc/27/57/85/1077275785.db2.gz MNYZNSSHDKDZSS-HXUWFJFHSA-N 1 0 422.485 2.315 20 0 HEADRO 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CC(C)[NH+]1CCC(NC(=O)COC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000744922637 1077668262 /nfs/dbraw/zinc/66/82/62/1077668262.db2.gz QEBCUVZIMZFXNZ-UHFFFAOYSA-N 1 0 421.582 2.384 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(Cl)nc(N3CCCC3)c2)CC1 ZINC000745011034 1077694759 /nfs/dbraw/zinc/69/47/59/1077694759.db2.gz DZDGIQPPAYKBGL-UHFFFAOYSA-N 1 0 408.930 2.481 20 0 HEADRO CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000745024888 1077708844 /nfs/dbraw/zinc/70/88/44/1077708844.db2.gz ZWNDEDSZEACEFM-UGSOOPFHSA-N 1 0 415.412 2.218 20 0 HEADRO CC[C@H](C(=O)O[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+](CC)CC ZINC000745096023 1077729320 /nfs/dbraw/zinc/72/93/20/1077729320.db2.gz TVJAYXSDRKQHJP-UKRRQHHQSA-N 1 0 407.467 2.158 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccnc(OCC(F)(F)F)c2)CC1 ZINC000745112959 1077746726 /nfs/dbraw/zinc/74/67/26/1077746726.db2.gz YULXWOAOBJXVRR-UHFFFAOYSA-N 1 0 403.401 2.169 20 0 HEADRO Cc1cccc2c(CCC(=O)OCC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)c[nH]c21 ZINC000745135162 1077748748 /nfs/dbraw/zinc/74/87/48/1077748748.db2.gz IGHLORRUQBLOJW-LJQANCHMSA-N 1 0 415.534 2.425 20 0 HEADRO CCc1nc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)nn1-c1ccccc1F ZINC000745243996 1077787138 /nfs/dbraw/zinc/78/71/38/1077787138.db2.gz QSMMCYJKXUUTEW-UHFFFAOYSA-N 1 0 417.485 2.115 20 0 HEADRO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000745267767 1077796490 /nfs/dbraw/zinc/79/64/90/1077796490.db2.gz RTOJZIFRVZHKTN-INIZCTEOSA-N 1 0 404.511 2.164 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000745268821 1077796518 /nfs/dbraw/zinc/79/65/18/1077796518.db2.gz VUOBHSVYVJGODT-GOSISDBHSA-N 1 0 417.481 2.451 20 0 HEADRO Cc1ccc(N2CC[C@H](NC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C2=O)cc1 ZINC000745290043 1077804084 /nfs/dbraw/zinc/80/40/84/1077804084.db2.gz UBIFUIJPZUOOSC-FQEVSTJZSA-N 1 0 414.550 2.435 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)C1 ZINC000745315525 1077806581 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Cc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1N1CCNC1=O ZINC000786353625 1080586299 /nfs/dbraw/zinc/58/62/99/1080586299.db2.gz DLPSRCAJSIDEGJ-SFHVURJKSA-N 1 0 401.511 2.290 20 0 HEADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(F)c(S(C)(=O)=O)c3)nc2)C1 ZINC000786413348 1080592043 /nfs/dbraw/zinc/59/20/43/1080592043.db2.gz RYQAIORQYNYMRR-HNNXBMFYSA-N 1 0 406.483 2.017 20 0 HEADRO Cc1ccc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1N1CCOC1=O ZINC000786425802 1080595963 /nfs/dbraw/zinc/59/59/63/1080595963.db2.gz ASHDYBXVIUSLSR-UHFFFAOYSA-N 1 0 424.501 2.311 20 0 HEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000786427219 1080596270 /nfs/dbraw/zinc/59/62/70/1080596270.db2.gz OTBFYFPWQHWPJO-UHFFFAOYSA-N 1 0 406.490 2.141 20 0 HEADRO Cc1nnc(-c2ccc(NC(=O)C(=O)NCc3ccc(CC[NH+](C)C)cc3)cc2)o1 ZINC000786427068 1080596418 /nfs/dbraw/zinc/59/64/18/1080596418.db2.gz KXTASULFIVCKSC-UHFFFAOYSA-N 1 0 407.474 2.404 20 0 HEADRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 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C[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000769077117 1080929534 /nfs/dbraw/zinc/92/95/34/1080929534.db2.gz OPKAJQKUJREHHM-HXUWFJFHSA-N 1 0 416.566 2.275 20 0 HEADRO CC(C)OCC[NH+]1CCC(NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000769136515 1080953637 /nfs/dbraw/zinc/95/36/37/1080953637.db2.gz ZNDOKTVKCXVTPT-UHFFFAOYSA-N 1 0 400.564 2.478 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH]n2)C1 ZINC000787022831 1080953875 /nfs/dbraw/zinc/95/38/75/1080953875.db2.gz KQMWSOFZUVOIQT-ARFHVFGLSA-N 1 0 403.527 2.491 20 0 HEADRO Cc1noc(C)c1CCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769138894 1080955326 /nfs/dbraw/zinc/95/53/26/1080955326.db2.gz KZMZEQHVQAUDME-PZJWPPBQSA-N 1 0 400.523 2.406 20 0 HEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769190821 1080964162 /nfs/dbraw/zinc/96/41/62/1080964162.db2.gz ZMNKCNDMUDXXEQ-PXNSSMCTSA-N 1 0 416.566 2.273 20 0 HEADRO CC(C)Oc1ccc([C@H](O)CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000769153615 1080972995 /nfs/dbraw/zinc/97/29/95/1080972995.db2.gz JCNWTJSFAJIBSE-QHAWAJNXSA-N 1 0 405.539 2.184 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000769156870 1080974177 /nfs/dbraw/zinc/97/41/77/1080974177.db2.gz UMFGSQNCHYYWBF-RTBURBONSA-N 1 0 424.586 2.311 20 0 HEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000769157527 1080975921 /nfs/dbraw/zinc/97/59/21/1080975921.db2.gz WMOQIOTZNBYOIA-QYZOEREBSA-N 1 0 424.586 2.405 20 0 HEADRO C[C@](O)(CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1F ZINC000769164701 1080981327 /nfs/dbraw/zinc/98/13/27/1080981327.db2.gz UYOYYHRVLJVYHO-DYXWJJEUSA-N 1 0 411.493 2.239 20 0 HEADRO CC(C)(C)OC(=O)NCC(C)(C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000769164853 1080981404 /nfs/dbraw/zinc/98/14/04/1080981404.db2.gz WBMSKAABTYUTKR-DLBZAZTESA-N 1 0 412.575 2.357 20 0 HEADRO C[C@@H](CNC(=O)C(=O)NCc1cccc(NC(=O)C2CCC2)c1)[NH+]1CCCCC1 ZINC000787084777 1080987842 /nfs/dbraw/zinc/98/78/42/1080987842.db2.gz RIRHRJNOJPRAOR-INIZCTEOSA-N 1 0 400.523 2.032 20 0 HEADRO C[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000787092583 1080993473 /nfs/dbraw/zinc/99/34/73/1080993473.db2.gz PMYPGPADYPIWIX-FHJLPGHOSA-N 1 0 417.550 2.385 20 0 HEADRO CC1(C)CC([N@@H+]2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)CC(C)(C)N1O ZINC001170002827 1081002068 /nfs/dbraw/zinc/00/20/68/1081002068.db2.gz VRHNNMLNHBFVHP-HSZRJFAPSA-N 1 0 418.582 2.396 20 0 HEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@@H]3CCCOCC3)CC2)cc1 ZINC000787110957 1081004669 /nfs/dbraw/zinc/00/46/69/1081004669.db2.gz JUJVQVCMWOGRLF-LJQANCHMSA-N 1 0 404.507 2.089 20 0 HEADRO O=C(NCC1(c2ccc(F)cc2)CCC1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787111049 1081004726 /nfs/dbraw/zinc/00/47/26/1081004726.db2.gz XNMJTYHHYWOLFZ-HXUWFJFHSA-N 1 0 417.525 2.123 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[S@](=O)C(CC)(CC)C3)cc2)CC1 ZINC000769219551 1081005834 /nfs/dbraw/zinc/00/58/34/1081005834.db2.gz DOYRNURORUYSJX-LJAQVGFWSA-N 1 0 420.623 2.390 20 0 HEADRO CCCCOc1cccc(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000787115698 1081006513 /nfs/dbraw/zinc/00/65/13/1081006513.db2.gz MBAOMQIDOMQGCC-NRFANRHFSA-N 1 0 417.550 2.241 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000787120719 1081008689 /nfs/dbraw/zinc/00/86/89/1081008689.db2.gz BXVFEESXIGACFA-DLPCIYJJSA-N 1 0 411.546 2.450 20 0 HEADRO CC1(C)CC([N@@H+]2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)CC(C)(C)N1O ZINC001170001888 1081011399 /nfs/dbraw/zinc/01/13/99/1081011399.db2.gz MCPDHXAFIVIZLW-AVRDEDQJSA-N 1 0 409.571 2.127 20 0 HEADRO CC[N@H+](CCO)CCNC(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000769240782 1081012980 /nfs/dbraw/zinc/01/29/80/1081012980.db2.gz MPTCHQSOFJHFMS-UHFFFAOYSA-N 1 0 406.527 2.416 20 0 HEADRO C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787101700 1081013541 /nfs/dbraw/zinc/01/35/41/1081013541.db2.gz DLYMXEQJXLBMSB-UZKOGDIHSA-N 1 0 413.562 2.226 20 0 HEADRO Cc1[nH]c2ccc(CNC(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)cc2c1C ZINC000787107514 1081018423 /nfs/dbraw/zinc/01/84/23/1081018423.db2.gz MTALEBAQPXQMSL-LJQANCHMSA-N 1 0 412.534 2.161 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)C1 ZINC000746648171 1081019412 /nfs/dbraw/zinc/01/94/12/1081019412.db2.gz JPBKXUJIKJITIA-IHHMQQGQSA-N 1 0 415.538 2.278 20 0 HEADRO COc1ccc([C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000787131254 1081019634 /nfs/dbraw/zinc/01/96/34/1081019634.db2.gz SUVIRHDOVSYVRH-NHCUHLMSSA-N 1 0 415.534 2.118 20 0 HEADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000787135969 1081022621 /nfs/dbraw/zinc/02/26/21/1081022621.db2.gz FOYLLLUGXOIMMQ-GOSISDBHSA-N 1 0 409.530 2.179 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000787142513 1081025972 /nfs/dbraw/zinc/02/59/72/1081025972.db2.gz ASMKNLCFRQYPLQ-UHFFFAOYSA-N 1 0 414.937 2.483 20 0 HEADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)ccc1Cl ZINC000769273539 1081026370 /nfs/dbraw/zinc/02/63/70/1081026370.db2.gz KEYABZZGMBTUAE-INIZCTEOSA-N 1 0 414.955 2.461 20 0 HEADRO COc1c(C)cnc(CNC(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1C ZINC000787142315 1081026452 /nfs/dbraw/zinc/02/64/52/1081026452.db2.gz YQCBIXKQEKNXOU-UHFFFAOYSA-N 1 0 424.545 2.147 20 0 HEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000769277441 1081028593 /nfs/dbraw/zinc/02/85/93/1081028593.db2.gz SKIRGQRSJKOWNH-ZDUSSCGKSA-N 1 0 422.519 2.461 20 0 HEADRO CON(CC1CCOCC1)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000787154427 1081032635 /nfs/dbraw/zinc/03/26/35/1081032635.db2.gz BJFGGAGLRJFYQX-GOSISDBHSA-N 1 0 417.550 2.494 20 0 HEADRO C[C@H](Cc1ccco1)NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000787155376 1081033004 /nfs/dbraw/zinc/03/30/04/1081033004.db2.gz DHJKNSLTDVKBDC-SQNIBIBYSA-N 1 0 413.518 2.252 20 0 HEADRO C[C@H](Cc1ccco1)NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000787155372 1081033069 /nfs/dbraw/zinc/03/30/69/1081033069.db2.gz DHJKNSLTDVKBDC-KZNAEPCWSA-N 1 0 413.518 2.252 20 0 HEADRO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787128871 1081035706 /nfs/dbraw/zinc/03/57/06/1081035706.db2.gz WGJLACCUIHXQDG-ZVDOUQERSA-N 1 0 413.562 2.459 20 0 HEADRO CSc1ccccc1CN(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787129561 1081036241 /nfs/dbraw/zinc/03/62/41/1081036241.db2.gz YHDBLWICQUKWLM-GOSISDBHSA-N 1 0 405.564 2.127 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000787130764 1081036574 /nfs/dbraw/zinc/03/65/74/1081036574.db2.gz ONIQBJDBPQLLBB-NRFANRHFSA-N 1 0 417.525 2.291 20 0 HEADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000787160265 1081038751 /nfs/dbraw/zinc/03/87/51/1081038751.db2.gz VRWLBKAFRBLSDF-ACZWYYKOSA-N 1 0 419.591 2.312 20 0 HEADRO CSCC[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000787160240 1081039148 /nfs/dbraw/zinc/03/91/48/1081039148.db2.gz VJHNEQPNTDAYON-ULQDDVLXSA-N 1 0 407.580 2.170 20 0 HEADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000787174370 1081044762 /nfs/dbraw/zinc/04/47/62/1081044762.db2.gz IRXIIMPQSGXYEO-IBGZPJMESA-N 1 0 415.921 2.180 20 0 HEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000746648680 1081045827 /nfs/dbraw/zinc/04/58/27/1081045827.db2.gz QAPZXNWXVUOSOL-UFUQCMIWSA-N 1 0 409.552 2.031 20 0 HEADRO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(-n2cncn2)cc1 ZINC000769334814 1081045904 /nfs/dbraw/zinc/04/59/04/1081045904.db2.gz RKINPQAHSLFFQP-UHFFFAOYSA-N 1 0 400.527 2.252 20 0 HEADRO CN(CC1CC[NH+](Cc2cnc(N3CCN(C)CC3)nc2)CC1)C(=O)OC(C)(C)C ZINC000769335941 1081046297 /nfs/dbraw/zinc/04/62/97/1081046297.db2.gz WSGAOIKIEFGYQX-UHFFFAOYSA-N 1 0 418.586 2.307 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000787214396 1081050825 /nfs/dbraw/zinc/05/08/25/1081050825.db2.gz APCNDKSGCYFHFG-UHFFFAOYSA-N 1 0 405.539 2.337 20 0 HEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)CC1 ZINC000787221542 1081053917 /nfs/dbraw/zinc/05/39/17/1081053917.db2.gz PZLSHVZUSPNFJO-ZWKOTPCHSA-N 1 0 424.511 2.479 20 0 HEADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](CCOCC(F)F)C2)CC1 ZINC000787186884 1081054831 /nfs/dbraw/zinc/05/48/31/1081054831.db2.gz STJHUSGRTKYUDP-HNNXBMFYSA-N 1 0 405.486 2.059 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000769370076 1081055671 /nfs/dbraw/zinc/05/56/71/1081055671.db2.gz NOQQHSCNUBUFRJ-UHFFFAOYSA-N 1 0 411.493 2.436 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000787189287 1081055616 /nfs/dbraw/zinc/05/56/16/1081055616.db2.gz ONQZGUKLZUZWGG-KBAYOESNSA-N 1 0 423.355 2.190 20 0 HEADRO C[C@H](CNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000769375827 1081056864 /nfs/dbraw/zinc/05/68/64/1081056864.db2.gz UHNBEUXEHKNHMQ-HZPDHXFCSA-N 1 0 411.493 2.482 20 0 HEADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000787193168 1081057929 /nfs/dbraw/zinc/05/79/29/1081057929.db2.gz OUXKPGBEGMEIKB-MRXNPFEDSA-N 1 0 424.586 2.271 20 0 HEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)C1 ZINC000769381714 1081058279 /nfs/dbraw/zinc/05/82/79/1081058279.db2.gz JUZUOIAEVBDCRX-MRXNPFEDSA-N 1 0 411.493 2.436 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000769382030 1081058351 /nfs/dbraw/zinc/05/83/51/1081058351.db2.gz AZULACZQDYKZFH-QAPCUYQASA-N 1 0 409.477 2.188 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC000769382489 1081058888 /nfs/dbraw/zinc/05/88/88/1081058888.db2.gz MYSJUHOSZNQRKM-UHFFFAOYSA-N 1 0 406.433 2.341 20 0 HEADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000787203840 1081060417 /nfs/dbraw/zinc/06/04/17/1081060417.db2.gz VKKOPIOMYJOGNY-NRFANRHFSA-N 1 0 401.551 2.400 20 0 HEADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000769336462 1081061298 /nfs/dbraw/zinc/06/12/98/1081061298.db2.gz AQTCTKGLHMZGKP-DZGCQCFKSA-N 1 0 407.383 2.312 20 0 HEADRO COCCOC[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000744417433 1081063131 /nfs/dbraw/zinc/06/31/31/1081063131.db2.gz UGCCVGCHKNDDQC-OTWHNJEPSA-N 1 0 405.539 2.224 20 0 HEADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000769423999 1081068857 /nfs/dbraw/zinc/06/88/57/1081068857.db2.gz IKLMZYIHKQNKEI-PKOBYXMFSA-N 1 0 418.586 2.354 20 0 HEADRO CN(C)c1nc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)nc2ccccc21 ZINC001170070894 1081072036 /nfs/dbraw/zinc/07/20/36/1081072036.db2.gz JLBMXIIMWCZEKM-UHFFFAOYSA-N 1 0 422.514 2.398 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)[C@@H](C)C1 ZINC000769481868 1081078619 /nfs/dbraw/zinc/07/86/19/1081078619.db2.gz AFGIAAPWAVUUKM-QRTARXTBSA-N 1 0 402.992 2.367 20 0 HEADRO COC(=O)CC[N@H+](CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O)C1CCOCC1 ZINC000787230867 1081079737 /nfs/dbraw/zinc/07/97/37/1081079737.db2.gz QUMHUUQDJIWEJP-AWEZNQCLSA-N 1 0 414.424 2.421 20 0 HEADRO CCC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000787231461 1081080683 /nfs/dbraw/zinc/08/06/83/1081080683.db2.gz IKQAVQJJBDFSEQ-UHFFFAOYSA-N 1 0 405.539 2.337 20 0 HEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000769450474 1081084143 /nfs/dbraw/zinc/08/41/43/1081084143.db2.gz DHTMRFOYJOFUDW-DOMZBBRYSA-N 1 0 405.442 2.292 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1OC(C)C ZINC000787238849 1081084986 /nfs/dbraw/zinc/08/49/86/1081084986.db2.gz HZNRSLLAQJJYJI-SFHVURJKSA-N 1 0 403.523 2.232 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000769458136 1081085842 /nfs/dbraw/zinc/08/58/42/1081085842.db2.gz IQFGBJSAZZDMGV-UHFFFAOYSA-N 1 0 415.400 2.465 20 0 HEADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)c1 ZINC000787287325 1081092895 /nfs/dbraw/zinc/09/28/95/1081092895.db2.gz CYARMKWCAOYKCA-HXUWFJFHSA-N 1 0 417.550 2.337 20 0 HEADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000787289242 1081094295 /nfs/dbraw/zinc/09/42/95/1081094295.db2.gz DIADLRNIHXKRNZ-NRFANRHFSA-N 1 0 407.518 2.191 20 0 HEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000787290937 1081094648 /nfs/dbraw/zinc/09/46/48/1081094648.db2.gz BZXZJGCALQHMDJ-OAHLLOKOSA-N 1 0 401.841 2.409 20 0 HEADRO [NH3+]CCN(c1nc(Cl)cc2nccnc21)S(=O)(=O)c1cccc2cnccc21 ZINC001170071567 1081095986 /nfs/dbraw/zinc/09/59/86/1081095986.db2.gz WTWMXIMCFXZEPE-UHFFFAOYSA-N 1 0 414.878 2.380 20 0 HEADRO C[NH+](C)[C@H](CNC(=O)NCCCN1CCOC1=O)c1cccc(C(F)(F)F)c1 ZINC000769502009 1081098856 /nfs/dbraw/zinc/09/88/56/1081098856.db2.gz CNBIVYPYMQKLBC-OAHLLOKOSA-N 1 0 402.417 2.450 20 0 HEADRO C[NH+](C)[C@@H](CNC(=O)NCCCN1CCOC1=O)c1cccc(C(F)(F)F)c1 ZINC000769502008 1081098999 /nfs/dbraw/zinc/09/89/99/1081098999.db2.gz CNBIVYPYMQKLBC-HNNXBMFYSA-N 1 0 402.417 2.450 20 0 HEADRO O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787270644 1081102522 /nfs/dbraw/zinc/10/25/22/1081102522.db2.gz JXCDTBCZZNQLRQ-CVEARBPZSA-N 1 0 421.567 2.284 20 0 HEADRO COC(=O)N1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000769530105 1081110993 /nfs/dbraw/zinc/11/09/93/1081110993.db2.gz JDZVLDPLYVMYSK-HNNXBMFYSA-N 1 0 402.417 2.402 20 0 HEADRO COCCC(=O)N1CCC([NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000769537046 1081113696 /nfs/dbraw/zinc/11/36/96/1081113696.db2.gz YWZOGCAEBDMLPU-AEFFLSMTSA-N 1 0 413.559 2.018 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000769536215 1081113789 /nfs/dbraw/zinc/11/37/89/1081113789.db2.gz AZXCDLMLIWRNMZ-GSEOLPGOSA-N 1 0 408.539 2.475 20 0 HEADRO COc1ccc(C2N=NC(=S)N2CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000769598758 1081117478 /nfs/dbraw/zinc/11/74/78/1081117478.db2.gz DWWUMLYTXYJRSY-NVXWUHKLSA-N 1 0 401.536 2.185 20 0 HEADRO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000769581689 1081135542 /nfs/dbraw/zinc/13/55/42/1081135542.db2.gz YITMFWZGDMPONL-UHFFFAOYSA-N 1 0 402.539 2.305 20 0 HEADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000769597839 1081143433 /nfs/dbraw/zinc/14/34/33/1081143433.db2.gz SINZRLNPMSUKOF-UHFFFAOYSA-N 1 0 413.499 2.374 20 0 HEADRO CCCCCCn1cc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c(=O)[nH]c1=O ZINC000769627769 1081146313 /nfs/dbraw/zinc/14/63/13/1081146313.db2.gz WRRVIIFZPJRDKL-UHFFFAOYSA-N 1 0 414.572 2.023 20 0 HEADRO O=C(OCc1ccccc1)N1CCC(CS(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000769637445 1081155233 /nfs/dbraw/zinc/15/52/33/1081155233.db2.gz IFHCGZBCIIBRHS-LJQANCHMSA-N 1 0 421.563 2.191 20 0 HEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000769606831 1081167653 /nfs/dbraw/zinc/16/76/53/1081167653.db2.gz BJGMKYWAFDALJV-QGZVFWFLSA-N 1 0 413.559 2.458 20 0 HEADRO [NH3+]CC1(F)CCN([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)CC1 ZINC001164393687 718813449 /nfs/dbraw/zinc/81/34/49/718813449.db2.gz STERSKGBQPSPBJ-GOSISDBHSA-N 1 0 414.888 2.260 20 0 HEADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c2c1C ZINC001164408678 718853163 /nfs/dbraw/zinc/85/31/63/718853163.db2.gz SEWHEJQBECYUPE-IIBYNOLFSA-N 1 0 401.580 2.312 20 0 HEADRO OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164403813 718853677 /nfs/dbraw/zinc/85/36/77/718853677.db2.gz IWNMUBHXPGWEFV-QRQCRPRQSA-N 1 0 413.591 2.184 20 0 HEADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164433494 718967781 /nfs/dbraw/zinc/96/77/81/718967781.db2.gz LSUHLUJKUGSKKH-QWHCGFSZSA-N 1 0 414.762 2.196 20 0 HEADRO CCOC(=O)c1nc2n(n1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164617342 719004700 /nfs/dbraw/zinc/00/47/00/719004700.db2.gz SQPWABJINLGUQP-UHFFFAOYSA-N 1 0 418.501 2.428 20 0 HEADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN([C@@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164615324 719011856 /nfs/dbraw/zinc/01/18/56/719011856.db2.gz IHXKUFRXHRTQEG-IRWQIABSSA-N 1 0 412.893 2.407 20 0 HEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164615524 719018839 /nfs/dbraw/zinc/01/88/39/719018839.db2.gz IOCWGOLAOQCOOW-WXHSDQCUSA-N 1 0 418.828 2.102 20 0 HEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164614182 719020638 /nfs/dbraw/zinc/02/06/38/719020638.db2.gz DGXQYKZJTOFYLQ-KXUCPTDWSA-N 1 0 417.869 2.100 20 0 HEADRO CCNS(=O)(=O)c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629263 719086064 /nfs/dbraw/zinc/08/60/64/719086064.db2.gz WVHXMXRQVUDCNR-OALUTQOASA-N 1 0 400.548 2.481 20 0 HEADRO 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COc1nc(Cl)nc(C)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741249 720828439 /nfs/dbraw/zinc/82/84/39/720828439.db2.gz MRRWWXVRZRSIMK-GVDBMIGSSA-N 1 0 417.945 2.418 20 0 HEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)CC[C@@H]2C1 ZINC001164846367 720832896 /nfs/dbraw/zinc/83/28/96/720832896.db2.gz DTPQTTBTNCJONN-DGCLKSJQSA-N 1 0 400.310 2.438 20 0 HEADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3C(=O)NCc3ccccc3)CC[C@@H]2C1 ZINC001164849270 720837220 /nfs/dbraw/zinc/83/72/20/720837220.db2.gz BVHQVLQMCVXYNN-IRLDBZIGSA-N 1 0 424.545 2.185 20 0 HEADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cncc(N5CCCC5)n4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164750227 720839647 /nfs/dbraw/zinc/83/96/47/720839647.db2.gz WTIQUHKZDWCOSI-AABGKKOBSA-N 1 0 408.554 2.048 20 0 HEADRO CC(C)n1cnc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164745276 720848021 /nfs/dbraw/zinc/84/80/21/720848021.db2.gz NCEFPWUFBMHVKC-NLWGTHIKSA-N 1 0 421.553 2.378 20 0 HEADRO Cc1noc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)n1 ZINC001164751042 720849877 /nfs/dbraw/zinc/84/98/77/720849877.db2.gz XYUDNTSYFZPAIX-SLFFLAALSA-N 1 0 420.521 2.411 20 0 HEADRO NC(=O)c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752211 720871175 /nfs/dbraw/zinc/87/11/75/720871175.db2.gz MAYQQAWQFBFAGK-HYBUGGRVSA-N 1 0 421.545 2.331 20 0 HEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1csc3ncnc(Cl)c13)CC2 ZINC001164749584 720953026 /nfs/dbraw/zinc/95/30/26/720953026.db2.gz HXVQORTZKUWHRG-UHFFFAOYSA-N 1 0 406.899 2.187 20 0 HEADRO Cc1sc2nc(C)nc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c2c1C ZINC001164752391 720953523 /nfs/dbraw/zinc/95/35/23/720953523.db2.gz XKIWVPNDCFRUHN-UHFFFAOYSA-N 1 0 414.535 2.459 20 0 HEADRO Cc1cc(Cl)ncc1C(F)(F)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164752269 720954810 /nfs/dbraw/zinc/95/48/10/720954810.db2.gz VHUWKVCTTCCOFV-UHFFFAOYSA-N 1 0 413.856 2.430 20 0 HEADRO Cc1ccc(C(F)(F)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1Cl ZINC001164752319 720956336 /nfs/dbraw/zinc/95/63/36/720956336.db2.gz WERLEXRTAURQIF-UHFFFAOYSA-N 1 0 413.856 2.430 20 0 HEADRO CCOC(=O)c1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869234 721045908 /nfs/dbraw/zinc/04/59/08/721045908.db2.gz SOSJBBZKDHARPC-JKSUJKDBSA-N 1 0 417.897 2.181 20 0 HEADRO COC(=O)c1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1Cl ZINC001164866581 721053352 /nfs/dbraw/zinc/05/33/52/721053352.db2.gz FRXQLHQWXIOFIF-JKSUJKDBSA-N 1 0 402.882 2.396 20 0 HEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(C(N)=O)c(Cl)n4)C[C@H]3C2)cn1 ZINC001164762658 721079381 /nfs/dbraw/zinc/07/93/81/721079381.db2.gz FFFMDAXRYWFBEW-ZIAGYGMSSA-N 1 0 424.883 2.071 20 0 HEADRO COC(=O)c1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164867621 721084798 /nfs/dbraw/zinc/08/47/98/721084798.db2.gz YUGNZRKHVQFPJU-JKSUJKDBSA-N 1 0 402.882 2.396 20 0 HEADRO COC(=O)c1ccc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164763690 721088505 /nfs/dbraw/zinc/08/85/05/721088505.db2.gz GRCXNJFVFQDVDC-ROUUACIJSA-N 1 0 406.490 2.108 20 0 HEADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865366 721089212 /nfs/dbraw/zinc/08/92/12/721089212.db2.gz KKYMUAGOHYMWCQ-MOPGFXCFSA-N 1 0 423.517 2.405 20 0 HEADRO COc1cc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164772637 721091315 /nfs/dbraw/zinc/09/13/15/721091315.db2.gz VJHNURRRXLHWPN-DLBZAZTESA-N 1 0 408.506 2.339 20 0 HEADRO COC(=O)c1cccc2nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ncc21 ZINC001164770781 721102690 /nfs/dbraw/zinc/10/26/90/721102690.db2.gz RNCRJILBTCVJRS-SJORKVTESA-N 1 0 406.490 2.108 20 0 HEADRO CN(C)C(=O)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164879849 721152436 /nfs/dbraw/zinc/15/24/36/721152436.db2.gz UPUCOEBTKAZFDQ-MSOLQXFVSA-N 1 0 415.925 2.312 20 0 HEADRO O=c1ccccn1Cc1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164879845 721155397 /nfs/dbraw/zinc/15/53/97/721155397.db2.gz UMPBOURQDSMUDW-FCHUYYIVSA-N 1 0 417.513 2.166 20 0 HEADRO NC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164881109 721159113 /nfs/dbraw/zinc/15/91/13/721159113.db2.gz ZBKODKYJMQRKCA-RTBURBONSA-N 1 0 403.486 2.208 20 0 HEADRO O=C(NC1CCCC1)c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164880748 721165869 /nfs/dbraw/zinc/16/58/69/721165869.db2.gz XLZRJRWFHAJSID-VQTJNVASSA-N 1 0 422.533 2.024 20 0 HEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)COc4ccc(Cl)nn4)C[C@H]3C2)cn1 ZINC001164772344 721199796 /nfs/dbraw/zinc/19/97/96/721199796.db2.gz SNLIOJPRCPYCFT-HUUCEWRRSA-N 1 0 412.872 2.289 20 0 HEADRO CNC(=O)[C@@]12C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164869623 721208585 /nfs/dbraw/zinc/20/85/85/721208585.db2.gz QZUVJFBHTGZVMR-KKSFZXQISA-N 1 0 414.941 2.477 20 0 HEADRO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1)c1cnccn1 ZINC001164870163 721214860 /nfs/dbraw/zinc/21/48/60/721214860.db2.gz FZHSGYPEMVVADQ-XXBNENTESA-N 1 0 422.533 2.025 20 0 HEADRO O=C(N[C@H]1CCO[C@@]2(CCN(c3ncccc3C[NH+]3CCCC3)C2)C1)c1cnccn1 ZINC001164871723 721215850 /nfs/dbraw/zinc/21/58/50/721215850.db2.gz KZTFDQGHGNZXSG-CVDCTZTESA-N 1 0 422.533 2.025 20 0 HEADRO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ncccc3C[NH+]3CCCC3)C2)C1)c1cnccn1 ZINC001164871728 721216435 /nfs/dbraw/zinc/21/64/35/721216435.db2.gz KZTFDQGHGNZXSG-XXBNENTESA-N 1 0 422.533 2.025 20 0 HEADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164769724 721244183 /nfs/dbraw/zinc/24/41/83/721244183.db2.gz ZINQCFYEOKTJPC-KBMXLJTQSA-N 1 0 418.929 2.098 20 0 HEADRO C[NH+]1CCN(c2cccc(N3Cc4cncn4C[C@H](COc4cccnc4)C3)n2)CC1 ZINC001164768987 721274384 /nfs/dbraw/zinc/27/43/84/721274384.db2.gz MUDFMGHHWYBJIY-LJQANCHMSA-N 1 0 419.533 2.140 20 0 HEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc4c(Cl)ccnc4cn3)CC2)C1 ZINC001164872454 721276622 /nfs/dbraw/zinc/27/66/22/721276622.db2.gz DKABIXQHGMWKKP-UHFFFAOYSA-N 1 0 417.941 2.290 20 0 HEADRO Cc1cccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nn2)c1 ZINC001164875595 721284725 /nfs/dbraw/zinc/28/47/25/721284725.db2.gz XMTWRQZZGMTBEP-UHFFFAOYSA-N 1 0 423.561 2.459 20 0 HEADRO C[N@H+](Cc1ccc(N2C[C@@H]3OCC[C@@H]3[C@H](C(=O)NCc3cccnc3)C2)nc1)C1CC1 ZINC001164881634 721304825 /nfs/dbraw/zinc/30/48/25/721304825.db2.gz WZCSMLHQEYUMSD-VSKRKVRLSA-N 1 0 421.545 2.229 20 0 HEADRO O=C(NCc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)C[C@@H]2OCC[C@H]21 ZINC001164878545 721305640 /nfs/dbraw/zinc/30/56/40/721305640.db2.gz LHJWSOFALQXXFT-BDTNDASRSA-N 1 0 421.545 2.230 20 0 HEADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)n2)CC1 ZINC001164877823 721313578 /nfs/dbraw/zinc/31/35/78/721313578.db2.gz JUCWKCBEPJWVRD-VAMGGRTRSA-N 1 0 409.534 2.291 20 0 HEADRO COC(=O)c1c(Cl)ccnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894515 721386744 /nfs/dbraw/zinc/38/67/44/721386744.db2.gz YODVTPMTLDPWKO-KKSFZXQISA-N 1 0 422.957 2.287 20 0 HEADRO COc1cccc2c1ncnc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890432 721393671 /nfs/dbraw/zinc/39/36/71/721393671.db2.gz NIAOZITXHWGZNW-MBSDFSHPSA-N 1 0 411.550 2.404 20 0 HEADRO COc1ccc2ncnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164886134 721394504 /nfs/dbraw/zinc/39/45/04/721394504.db2.gz DMWRATWLRZPQPV-XXBNENTESA-N 1 0 411.550 2.404 20 0 HEADRO CSc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886208 721398009 /nfs/dbraw/zinc/39/80/09/721398009.db2.gz DQHSWHYTFBOIFM-RDTXWAMCSA-N 1 0 412.991 2.012 20 0 HEADRO CCOc1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887742 721400403 /nfs/dbraw/zinc/40/04/03/721400403.db2.gz NDMSLBHURFGVRI-JXFKEZNVSA-N 1 0 409.962 2.294 20 0 HEADRO COC(=O)c1cc(F)c(C)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892451 721412130 /nfs/dbraw/zinc/41/21/30/721412130.db2.gz YIKCUEOKVQQSJZ-VGOFRKELSA-N 1 0 420.529 2.081 20 0 HEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccnc(-c5cccnc5)n4)C3)O2)CC1 ZINC001164889441 721418644 /nfs/dbraw/zinc/41/86/44/721418644.db2.gz QNWGNEHLYUCTFY-NZQKXSOJSA-N 1 0 408.550 2.304 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(OCC5CC5)ncn4)C3)O2)CC1 ZINC001164892540 721418756 /nfs/dbraw/zinc/41/87/56/721418756.db2.gz YQYLXYIAQPOETJ-KNQAVFIVSA-N 1 0 401.555 2.031 20 0 HEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc(Cl)cnc54)C3)O2)CC1 ZINC001164891369 721418936 /nfs/dbraw/zinc/41/89/36/721418936.db2.gz VNDSYCVIUSZKNQ-UTKZUKDTSA-N 1 0 416.957 2.444 20 0 HEADRO COc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2ccccc21 ZINC001164890603 721419150 /nfs/dbraw/zinc/41/91/50/721419150.db2.gz UCZIMCQSLPSTME-WZONZLPQSA-N 1 0 411.550 2.404 20 0 HEADRO CC(C)n1cnc2cnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc21 ZINC001164899185 721435774 /nfs/dbraw/zinc/43/57/74/721435774.db2.gz YCLHTSNXPMIUOU-GCJKJVERSA-N 1 0 413.570 2.173 20 0 HEADRO COc1cccc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c21 ZINC001164896471 721437457 /nfs/dbraw/zinc/43/74/57/721437457.db2.gz RIPJDRVXPCYVKY-WZONZLPQSA-N 1 0 411.550 2.404 20 0 HEADRO 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409.486 2.457 20 0 HEADRO CC[N@H+](CCNS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)C1CC1 ZINC000770246251 1078810596 /nfs/dbraw/zinc/81/05/96/1078810596.db2.gz PBYLYGPPKOSZKQ-UHFFFAOYSA-N 1 0 423.304 2.137 20 0 HEADRO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000770252658 1078813106 /nfs/dbraw/zinc/81/31/06/1078813106.db2.gz MUGJZBLRXVMZMS-ONGXEEELSA-N 1 0 423.304 2.136 20 0 HEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000746196171 1078815810 /nfs/dbraw/zinc/81/58/10/1078815810.db2.gz GIBDYYZOIFDOFR-XXBNENTESA-N 1 0 417.550 2.481 20 0 HEADRO COc1cccc([C@H](CNC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)[NH+](C)C)c1 ZINC000770335124 1078816250 /nfs/dbraw/zinc/81/62/50/1078816250.db2.gz HCKSCJNLTSFGSM-YZGWKJHDSA-N 1 0 415.538 2.187 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000746198268 1078816425 /nfs/dbraw/zinc/81/64/25/1078816425.db2.gz SYMJQNPHTRWFHX-QHCPKHFHSA-N 1 0 417.550 2.387 20 0 HEADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3CSCN3C(=O)OC(C)(C)C)nc2)C1 ZINC000746206257 1078818274 /nfs/dbraw/zinc/81/82/74/1078818274.db2.gz RXGJCJJWYIJBFM-CVEARBPZSA-N 1 0 421.567 2.470 20 0 HEADRO NC(=O)c1nccnc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000746208131 1078818958 /nfs/dbraw/zinc/81/89/58/1078818958.db2.gz GMWZLPOKDKMCDJ-UHFFFAOYSA-N 1 0 410.478 2.032 20 0 HEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000770294331 1078819607 /nfs/dbraw/zinc/81/96/07/1078819607.db2.gz XAJMBPUQISSBCY-OWTLUSIOSA-N 1 0 416.385 2.365 20 0 HEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000770294332 1078819645 /nfs/dbraw/zinc/81/96/45/1078819645.db2.gz XAJMBPUQISSBCY-UJMHRVFCSA-N 1 0 416.385 2.365 20 0 HEADRO CC(C)COC(=O)N1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000746190242 1078820396 /nfs/dbraw/zinc/82/03/96/1078820396.db2.gz JBIARGOAVQONBM-UHFFFAOYSA-N 1 0 402.539 2.136 20 0 HEADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)c2)CC1 ZINC000746229769 1078822213 /nfs/dbraw/zinc/82/22/13/1078822213.db2.gz ZEDQXLRXNOOQGK-IBGZPJMESA-N 1 0 402.539 2.173 20 0 HEADRO CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000746230012 1078822275 /nfs/dbraw/zinc/82/22/75/1078822275.db2.gz CJZZCWOKMCUAMX-MRXNPFEDSA-N 1 0 407.584 2.328 20 0 HEADRO C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000746212799 1078823326 /nfs/dbraw/zinc/82/33/26/1078823326.db2.gz MZDMOVNGASFVTN-KRWDZBQOSA-N 1 0 406.530 2.444 20 0 HEADRO CC[NH+](CC)[C@@H](C(=O)N1CCCN(CC(N)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000746217946 1078824267 /nfs/dbraw/zinc/82/42/67/1078824267.db2.gz FQYPATYARQBTEZ-GOSISDBHSA-N 1 0 414.472 2.108 20 0 HEADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000746220677 1078824895 /nfs/dbraw/zinc/82/48/95/1078824895.db2.gz YJCPYNZTXVPYRJ-QFBILLFUSA-N 1 0 405.539 2.025 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000746259513 1078827263 /nfs/dbraw/zinc/82/72/63/1078827263.db2.gz QMJJZJXZWZBWQU-XLIONFOSSA-N 1 0 406.571 2.110 20 0 HEADRO CC[NH+]1CCN(CC(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)CC1 ZINC000746261585 1078827925 /nfs/dbraw/zinc/82/79/25/1078827925.db2.gz KOONTVYGQVQDBA-UHFFFAOYSA-N 1 0 413.522 2.180 20 0 HEADRO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000746245787 1078830336 /nfs/dbraw/zinc/83/03/36/1078830336.db2.gz ABDXAYSHZORXBB-QGZVFWFLSA-N 1 0 404.555 2.419 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000746267617 1078838720 /nfs/dbraw/zinc/83/87/20/1078838720.db2.gz QQFJHRUWQLAGMU-GCJKJVERSA-N 1 0 403.523 2.139 20 0 HEADRO Cc1cccc(C2N=NC(=S)N2CCC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000770369409 1078832545 /nfs/dbraw/zinc/83/25/45/1078832545.db2.gz NPSYNQUSXZJEHU-GOSISDBHSA-N 1 0 417.579 2.285 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000770372463 1078832935 /nfs/dbraw/zinc/83/29/35/1078832935.db2.gz UETAZXLTUISCFI-IBGZPJMESA-N 1 0 418.538 2.437 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000746267642 1078839202 /nfs/dbraw/zinc/83/92/02/1078839202.db2.gz RDBAOEWDOIWMSV-SFHVURJKSA-N 1 0 417.554 2.109 20 0 HEADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccccc2OCC(=O)NCC2CC2)cn1 ZINC000770387431 1078850120 /nfs/dbraw/zinc/85/01/20/1078850120.db2.gz QAPLLXRIZBNVLH-SFTDATJTSA-N 1 0 412.534 2.413 20 0 HEADRO COCCOc1cccc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 ZINC000770393161 1078841246 /nfs/dbraw/zinc/84/12/46/1078841246.db2.gz BBONCXPPQFCANK-UHFFFAOYSA-N 1 0 419.547 2.406 20 0 HEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)C1 ZINC000746276408 1078841708 /nfs/dbraw/zinc/84/17/08/1078841708.db2.gz XICSZPQKVHPCSZ-INIZCTEOSA-N 1 0 421.563 2.337 20 0 HEADRO C[NH+]1CCC2(CCN2C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 ZINC000770402990 1078842687 /nfs/dbraw/zinc/84/26/87/1078842687.db2.gz XZIVYRKDYRGBPL-UHFFFAOYSA-N 1 0 401.326 2.163 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C[C@H]1C ZINC000746293645 1078844182 /nfs/dbraw/zinc/84/41/82/1078844182.db2.gz IYPVXBXJHUOCGL-HIFRSBDPSA-N 1 0 424.498 2.127 20 0 HEADRO Cn1ccnc1[C@](O)(CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000746297423 1078845997 /nfs/dbraw/zinc/84/59/97/1078845997.db2.gz XEPXNJYKFFBVBK-DDUZABMNSA-N 1 0 400.445 2.035 20 0 HEADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000746297435 1078846015 /nfs/dbraw/zinc/84/60/15/1078846015.db2.gz XNIUZSHOCXDYBJ-KUHUBIRLSA-N 1 0 409.527 2.213 20 0 HEADRO C[C@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000746302091 1078847074 /nfs/dbraw/zinc/84/70/74/1078847074.db2.gz INXPPBIWXJGJKT-HTAPYJJXSA-N 1 0 403.523 2.091 20 0 HEADRO COCCOc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1)OCO2 ZINC000770385243 1078848878 /nfs/dbraw/zinc/84/88/78/1078848878.db2.gz JPXNOTJWZOLCSN-MSOLQXFVSA-N 1 0 403.479 2.262 20 0 HEADRO CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000770387389 1078849704 /nfs/dbraw/zinc/84/97/04/1078849704.db2.gz PSQOCCFLXMCSPM-MOPGFXCFSA-N 1 0 416.522 2.032 20 0 HEADRO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000770387371 1078849718 /nfs/dbraw/zinc/84/97/18/1078849718.db2.gz PKNCGFBDFPMDOB-ZBFHGGJFSA-N 1 0 401.433 2.491 20 0 HEADRO C/C(=C\C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1OC(F)F ZINC000766341061 1078853110 /nfs/dbraw/zinc/85/31/10/1078853110.db2.gz RBECLVDEUCJYDB-IAOULYHDSA-N 1 0 407.461 2.456 20 0 HEADRO C[C@H]1NC(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000746361237 1078874611 /nfs/dbraw/zinc/87/46/11/1078874611.db2.gz XZLIZUAWGNRTEQ-WIYYLYMNSA-N 1 0 419.529 2.448 20 0 HEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000746345007 1078867044 /nfs/dbraw/zinc/86/70/44/1078867044.db2.gz QMCPFCKLKKTKLA-QGZVFWFLSA-N 1 0 423.554 2.414 20 0 HEADRO CC(C)NS(=O)(=O)c1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1F ZINC000746344985 1078867126 /nfs/dbraw/zinc/86/71/26/1078867126.db2.gz NNLGWDTVVZAQGH-MRXNPFEDSA-N 1 0 411.543 2.316 20 0 HEADRO Cc1ccc(Cn2nccc2NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)o1 ZINC000746365381 1078877439 /nfs/dbraw/zinc/87/74/39/1078877439.db2.gz PWZIKIBJGCHOJF-UHFFFAOYSA-N 1 0 423.517 2.404 20 0 HEADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccnc1I ZINC000770486493 1078877805 /nfs/dbraw/zinc/87/78/05/1078877805.db2.gz QLRDNMFIIHIZNY-UHFFFAOYSA-N 1 0 422.270 2.476 20 0 HEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000766345306 1078879325 /nfs/dbraw/zinc/87/93/25/1078879325.db2.gz PIIJUXJCMBLXIE-SFHVURJKSA-N 1 0 416.522 2.412 20 0 HEADRO Cn1cc(C[C@@H]2CC(=O)N(CN3CCC(C[N@H+](C)Cc4ccccc4)CC3)C2=O)cn1 ZINC000746377953 1078883811 /nfs/dbraw/zinc/88/38/11/1078883811.db2.gz SOPBNPYZXHFFJA-JOCHJYFZSA-N 1 0 423.561 2.139 20 0 HEADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)Nc1ccnn1CC1CC1 ZINC000746379340 1078884993 /nfs/dbraw/zinc/88/49/93/1078884993.db2.gz JURFXFVXGSBWQB-UHFFFAOYSA-N 1 0 401.536 2.322 20 0 HEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1 ZINC000746383515 1078889244 /nfs/dbraw/zinc/88/92/44/1078889244.db2.gz WRCGGKZHPZDBBU-KRWDZBQOSA-N 1 0 406.600 2.207 20 0 HEADRO C[C@@H]([NH2+]CCCC(F)(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766349154 1078891931 /nfs/dbraw/zinc/89/19/31/1078891931.db2.gz DLEZPXFCBAUNTA-LLVKDONJSA-N 1 0 402.460 2.405 20 0 HEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCNS(=O)(=O)/C=C\c2ccccc2)C1 ZINC000746409675 1078905403 /nfs/dbraw/zinc/90/54/03/1078905403.db2.gz KLBBSJWIJCNGMV-QKQONQEDSA-N 1 0 405.564 2.157 20 0 HEADRO COC(=O)C1(C)CCC([N@@H+]2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)CC1 ZINC001168782122 1078905431 /nfs/dbraw/zinc/90/54/31/1078905431.db2.gz KZFMVQKOQOCIGP-SDVLMSEASA-N 1 0 417.550 2.107 20 0 HEADRO C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000746416144 1078907986 /nfs/dbraw/zinc/90/79/86/1078907986.db2.gz ULVUNZYPIQPCOG-RDJZCZTQSA-N 1 0 408.568 2.492 20 0 HEADRO Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)Nc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000766359619 1078915666 /nfs/dbraw/zinc/91/56/66/1078915666.db2.gz RYDJMMUPYUIOTR-ICSRJNTNSA-N 1 0 401.511 2.481 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766363166 1078924451 /nfs/dbraw/zinc/92/44/51/1078924451.db2.gz HAJUTOHISJZNAN-HSALFYBXSA-N 1 0 401.507 2.015 20 0 HEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766378225 1078927976 /nfs/dbraw/zinc/92/79/76/1078927976.db2.gz QFHLQAYSKROCQC-UXHICEINSA-N 1 0 403.523 2.262 20 0 HEADRO COC(=O)C[C@]1([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCCOC1 ZINC000770676018 1078929496 /nfs/dbraw/zinc/92/94/96/1078929496.db2.gz GZLNRDNVOXAMBW-QGZVFWFLSA-N 1 0 400.269 2.422 20 0 HEADRO CCC(CC)(CCO)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766380971 1078930233 /nfs/dbraw/zinc/93/02/33/1078930233.db2.gz 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HEADRO C[NH+](C)CC1(O)CCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC001169042300 1079108917 /nfs/dbraw/zinc/10/89/17/1079108917.db2.gz ZJKJCFWQFCJCCA-UHFFFAOYSA-N 1 0 421.133 2.135 20 0 HEADRO COc1ccc(NC(=O)Cc2noc([C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000771059309 1079119674 /nfs/dbraw/zinc/11/96/74/1079119674.db2.gz KLLBXGVFXJRHFS-QFIPXVFZSA-N 1 0 408.458 2.353 20 0 HEADRO COc1ccc([C@H](CNC(=O)COC(=O)[C@H]2CCO[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000771078907 1079133193 /nfs/dbraw/zinc/13/31/93/1079133193.db2.gz REDAJEYORMZGRQ-VDGAXYAQSA-N 1 0 404.507 2.307 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)OC(C)(C)C)nc3)CC[C@@H]21 ZINC000766585058 1079135060 /nfs/dbraw/zinc/13/50/60/1079135060.db2.gz PAFMXJWBZDFPNT-HOCLYGCPSA-N 1 0 417.510 2.310 20 0 HEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC[C@H]21 ZINC000766586007 1079135687 /nfs/dbraw/zinc/13/56/87/1079135687.db2.gz ZLZMLPJURUGVJY-WMLDXEAASA-N 1 0 418.925 2.348 20 0 HEADRO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169128277 1079146518 /nfs/dbraw/zinc/14/65/18/1079146518.db2.gz CDPBXPJKKOONQZ-DTXAGUPXSA-N 1 0 407.555 2.485 20 0 HEADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128288 1079147262 /nfs/dbraw/zinc/14/72/62/1079147262.db2.gz CFTLOQXMBYZKCP-MDPIYQRISA-N 1 0 400.498 2.288 20 0 HEADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 ZINC000771113847 1079158959 /nfs/dbraw/zinc/15/89/59/1079158959.db2.gz CHOCJDJNAFYOMS-UHFFFAOYSA-N 1 0 403.527 2.176 20 0 HEADRO 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 ZINC001169131776 1079151394 /nfs/dbraw/zinc/15/13/94/1079151394.db2.gz YZFBUDIBDYCKMR-BZDHPDOMSA-N 1 0 406.571 2.203 20 0 HEADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1)C1CC1 ZINC001169112202 1079159688 /nfs/dbraw/zinc/15/96/88/1079159688.db2.gz NKSDAHQOOHLAKU-IBGZPJMESA-N 1 0 413.522 2.381 20 0 HEADRO C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)CCO1 ZINC000766609620 1079163984 /nfs/dbraw/zinc/16/39/84/1079163984.db2.gz XZBLDZBNJZHVFV-SFHVURJKSA-N 1 0 414.550 2.327 20 0 HEADRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3OCC[C@H]3NC(=O)OC(C)(C)C)C2)c1 ZINC001169148856 1079165911 /nfs/dbraw/zinc/16/59/11/1079165911.db2.gz FUKGNQDEFXWKSH-OTWHNJEPSA-N 1 0 403.523 2.368 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc(F)c(F)cc1F ZINC001169161816 1079170633 /nfs/dbraw/zinc/17/06/33/1079170633.db2.gz GSMZIDSSOYABAH-GFCCVEGCSA-N 1 0 423.439 2.200 20 0 HEADRO O=C(CC[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F)NC(=O)NCC(F)(F)F ZINC001169163214 1079171977 /nfs/dbraw/zinc/17/19/77/1079171977.db2.gz KXPRBRGEVALARA-GFCCVEGCSA-N 1 0 415.334 2.190 20 0 HEADRO CC(C)[N@@H+]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000771157384 1079172542 /nfs/dbraw/zinc/17/25/42/1079172542.db2.gz MVMKUQNSSCSLCN-HXUWFJFHSA-N 1 0 424.904 2.189 20 0 HEADRO Cc1ccc(CC[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c(C)c1 ZINC001169165372 1079173583 /nfs/dbraw/zinc/17/35/83/1079173583.db2.gz ZVOCMWQLNRCEJK-GOSISDBHSA-N 1 0 411.550 2.442 20 0 HEADRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@H](O)CC2(O)CCOCC2)C1)C1CCCC1 ZINC001169187629 1079176950 /nfs/dbraw/zinc/17/69/50/1079176950.db2.gz JIDYBZHDVAHLFO-QZTJIDSGSA-N 1 0 420.554 2.010 20 0 HEADRO Cc1cnccc1[C@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC001169190757 1079178901 /nfs/dbraw/zinc/17/89/01/1079178901.db2.gz KJVAKRAUAAJOSN-VQIMIIECSA-N 1 0 424.549 2.437 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001169193922 1079180872 /nfs/dbraw/zinc/18/08/72/1079180872.db2.gz XJONENFJZVQLJS-IEBWSBKVSA-N 1 0 409.534 2.482 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001169194047 1079181657 /nfs/dbraw/zinc/18/16/57/1079181657.db2.gz YDDYBTHLMQKCMA-KBPBESRZSA-N 1 0 415.460 2.062 20 0 HEADRO CC(C)[C@@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccncc1 ZINC001169197149 1079182163 /nfs/dbraw/zinc/18/21/63/1079182163.db2.gz TUDOELSWJNEWLW-SJLPKXTDSA-N 1 0 412.538 2.374 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cncc2ccccc21 ZINC001169197251 1079182205 /nfs/dbraw/zinc/18/22/05/1079182205.db2.gz UOVSZMUSNWFVEW-INIZCTEOSA-N 1 0 420.517 2.331 20 0 HEADRO Cc1cncc([C@@H]([NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C2CC2)c1 ZINC001169197380 1079182983 /nfs/dbraw/zinc/18/29/83/1079182983.db2.gz VLSGDINHTZTDCC-LPHOPBHVSA-N 1 0 424.549 2.437 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(c2ccncc2)CC1 ZINC001169202523 1079184076 /nfs/dbraw/zinc/18/40/76/1079184076.db2.gz QNWPUNVYIXNCDZ-KRWDZBQOSA-N 1 0 424.549 2.267 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CCc1cccs1 ZINC001169203533 1079184891 /nfs/dbraw/zinc/18/48/91/1079184891.db2.gz VNWPYGQXGILKJH-HNNXBMFYSA-N 1 0 403.552 2.229 20 0 HEADRO Cc1cc(F)cc(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169170978 1079186148 /nfs/dbraw/zinc/18/61/48/1079186148.db2.gz BXLOVOBWIXUUSL-OAHLLOKOSA-N 1 0 401.486 2.230 20 0 HEADRO Cc1csc([C@@H](C)[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC001169170333 1079186189 /nfs/dbraw/zinc/18/61/89/1079186189.db2.gz UXWMFOHQGVYNGX-TZMCWYRMSA-N 1 0 404.540 2.108 20 0 HEADRO Cc1ccc(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c(F)c1F ZINC001169171571 1079186652 /nfs/dbraw/zinc/18/66/52/1079186652.db2.gz GSPNPIVJKWYELX-AWEZNQCLSA-N 1 0 419.476 2.369 20 0 HEADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(c2cccc(F)c2)CC1 ZINC001169174516 1079189307 /nfs/dbraw/zinc/18/93/07/1079189307.db2.gz JPBIPIJURAZUGL-HNNXBMFYSA-N 1 0 413.497 2.411 20 0 HEADRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001169177500 1079191296 /nfs/dbraw/zinc/19/12/96/1079191296.db2.gz KJQFFICRSAPTPG-HOTGVXAUSA-N 1 0 407.515 2.183 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC001169181128 1079193162 /nfs/dbraw/zinc/19/31/62/1079193162.db2.gz LKZHDJKXGFPELK-OAHLLOKOSA-N 1 0 413.497 2.411 20 0 HEADRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc2c(c1)N1C(=NNC(=O)[C@@H]1C)CO2 ZINC001169179839 1079193177 /nfs/dbraw/zinc/19/31/77/1079193177.db2.gz QINWBQUGSLXKST-AWEZNQCLSA-N 1 0 419.485 2.479 20 0 HEADRO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C(C)(C)C1 ZINC000766622275 1079199557 /nfs/dbraw/zinc/19/95/57/1079199557.db2.gz FNFHPBHOBQVYSG-HSZRJFAPSA-N 1 0 408.502 2.159 20 0 HEADRO COc1cc(CCNc2nccc(C[N@@H+]3CC[C@@H](CO)C3)c2C(OC)OC)ccn1 ZINC001169222928 1079201490 /nfs/dbraw/zinc/20/14/90/1079201490.db2.gz PJZXPEDWEHYEQY-QGZVFWFLSA-N 1 0 416.522 2.245 20 0 HEADRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(NC(=O)C(C)(C)C)c(N[C@H]2CCC[C@@H](O)C2)n1 ZINC001169247004 1079211142 /nfs/dbraw/zinc/21/11/42/1079211142.db2.gz KJTBCVAPZYAJQZ-FZKCQIBNSA-N 1 0 418.538 2.258 20 0 HEADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001169205537 1079205390 /nfs/dbraw/zinc/20/53/90/1079205390.db2.gz FRHCXLVTRIMLJB-CQSZACIVSA-N 1 0 418.929 2.173 20 0 HEADRO COc1cccc(C[C@@H]2CN(C(=O)CCc3nc(-c4ccccn4)no3)CC[NH2+]2)c1 ZINC001169250171 1079212014 /nfs/dbraw/zinc/21/20/14/1079212014.db2.gz HMIGESZCEGWGJY-QGZVFWFLSA-N 1 0 407.474 2.116 20 0 HEADRO COc1cccc(C[C@H]2CN(C(=O)[C@@H]3CCCN(C(=O)NCC(C)C)C3)CC[NH2+]2)c1 ZINC001169251491 1079212467 /nfs/dbraw/zinc/21/24/67/1079212467.db2.gz OPZBVJKAUZTRBM-UXHICEINSA-N 1 0 416.566 2.116 20 0 HEADRO CC[NH+]1CCC(N2CCC[C@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC001169261140 1079214818 /nfs/dbraw/zinc/21/48/18/1079214818.db2.gz ACWNWRXXOVFUFC-KRWDZBQOSA-N 1 0 405.539 2.391 20 0 HEADRO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCC[NH+](C(C)C)C(C)C)C1=O ZINC000771240239 1079223079 /nfs/dbraw/zinc/22/30/79/1079223079.db2.gz HIQXCJAFOFCMDY-QFIPXVFZSA-N 1 0 418.538 2.006 20 0 HEADRO CC[NH+]1CCN(CC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000804314407 1079226620 /nfs/dbraw/zinc/22/66/20/1079226620.db2.gz OANXUMMELSASFW-HXUWFJFHSA-N 1 0 416.566 2.275 20 0 HEADRO CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(-n2nnc3ccc(C[NH3+])cc32)c1 ZINC001170023885 1079226649 /nfs/dbraw/zinc/22/66/49/1079226649.db2.gz FRLUMYFEUDJTHY-IBGZPJMESA-N 1 0 424.436 2.209 20 0 HEADRO [NH3+]Cc1ccc2nnn(-c3cnc4nnn(Cc5ccc6ncccc6c5)c4n3)c2c1 ZINC001170023723 1079226790 /nfs/dbraw/zinc/22/67/90/1079226790.db2.gz CDVBOUPMPZMCPP-UHFFFAOYSA-N 1 0 408.429 2.010 20 0 HEADRO CC(=O)N1CCO[C@@]2(C1)COCC[N@@H+](C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169298821 1079228632 /nfs/dbraw/zinc/22/86/32/1079228632.db2.gz CWRWMIDCDPIGSQ-YDPRHXJPSA-N 1 0 416.518 2.104 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CO1 ZINC001169346053 1079233023 /nfs/dbraw/zinc/23/30/23/1079233023.db2.gz DACWCZZWWGFUSO-JLJPHGGASA-N 1 0 402.447 2.129 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)CO1 ZINC001169350589 1079234510 /nfs/dbraw/zinc/23/45/10/1079234510.db2.gz JYDAJMASSDIECK-RDJZCZTQSA-N 1 0 402.447 2.130 20 0 HEADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ncn3c2CN(C(=O)OC(C)(C)C)CCC3)CO1 ZINC001169334504 1079237143 /nfs/dbraw/zinc/23/71/43/1079237143.db2.gz LMPLVWICFHQZIN-CRAIPNDOSA-N 1 0 422.526 2.224 20 0 HEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)O2)CO1 ZINC001169357803 1079241423 /nfs/dbraw/zinc/24/14/23/1079241423.db2.gz ODTCOUWHBPGWEZ-HRCADAONSA-N 1 0 400.516 2.101 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H](n2cc([C@@H](C[NH3+])C(=O)OC)c3cc(OC)ccc32)CO1 ZINC001169351939 1079249068 /nfs/dbraw/zinc/24/90/68/1079249068.db2.gz ODJGBIATEAUIBX-NRXGSXMXSA-N 1 0 404.463 2.148 20 0 HEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001687510733 1079253520 /nfs/dbraw/zinc/25/35/20/1079253520.db2.gz FDMWMRXJPMUDPP-OKYOBFRVSA-N 1 0 423.602 2.100 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H](C[C@H]3C2)O4)CO1 ZINC001169385387 1079257578 /nfs/dbraw/zinc/25/75/78/1079257578.db2.gz ISJAHPHGCWNKRG-ZLWMKHSHSA-N 1 0 424.538 2.197 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3nc(C(=O)N4CCCCC4)sc3CC2)CO1 ZINC001169389793 1079260166 /nfs/dbraw/zinc/26/01/66/1079260166.db2.gz SHEYHQHHTUMUES-WBVHZDCISA-N 1 0 421.563 2.281 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccc2F)C3)CO1 ZINC001169391795 1079261758 /nfs/dbraw/zinc/26/17/58/1079261758.db2.gz KDNJDDXLMAGQMQ-JLMWRMLUSA-N 1 0 421.513 2.250 20 0 HEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC34CCC[NH+](CCC3)C4)C2)cc1 ZINC001169392321 1079262623 /nfs/dbraw/zinc/26/26/23/1079262623.db2.gz CBYPSWPLYSQBGG-LJQANCHMSA-N 1 0 419.591 2.388 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)CO1 ZINC001169398671 1079272010 /nfs/dbraw/zinc/27/20/10/1079272010.db2.gz SSCKHFQNYZOJRF-XNTOXWQXSA-N 1 0 404.507 2.331 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H](N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)CO1 ZINC001169399293 1079272787 /nfs/dbraw/zinc/27/27/87/1079272787.db2.gz VYIWVNXUDVRYNP-MJCUULBUSA-N 1 0 404.555 2.167 20 0 HEADRO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)CO1 ZINC001169396753 1079269466 /nfs/dbraw/zinc/26/94/66/1079269466.db2.gz MDLIVTZRHKAKGG-LVCYWYKZSA-N 1 0 421.563 2.377 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCCC(C)(C)O)C[C@H]1C(=O)N1CCSC1 ZINC001170025180 1079287701 /nfs/dbraw/zinc/28/77/01/1079287701.db2.gz GWBAUVUOWMANKC-CABCVRRESA-N 1 0 401.573 2.038 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001169460786 1079306150 /nfs/dbraw/zinc/30/61/50/1079306150.db2.gz ZCQODVSNSQCASZ-GJZGRUSLSA-N 1 0 401.548 2.458 20 0 HEADRO COc1cccc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)n1 ZINC001170025366 1079306672 /nfs/dbraw/zinc/30/66/72/1079306672.db2.gz IFWABHVKSRJEKS-HOTGVXAUSA-N 1 0 422.551 2.091 20 0 HEADRO CN(CCCC[NH+](C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000771370280 1079307420 /nfs/dbraw/zinc/30/74/20/1079307420.db2.gz FWHSYVNIPZCZQO-IBGZPJMESA-N 1 0 412.893 2.046 20 0 HEADRO CCN(CC)C(=O)C[C@H](C)[NH+]1CCC2(CC1)OCC(=O)N(c1cccnc1)[C@H]2C ZINC001169467010 1079308233 /nfs/dbraw/zinc/30/82/33/1079308233.db2.gz JGQLSXIUKLJUHY-ROUUACIJSA-N 1 0 402.539 2.315 20 0 HEADRO COc1cncc(N2CCN(C(=O)/C=C/c3ccc(OCC[NH+](C)C)cc3)CC2)c1 ZINC001169469061 1079309466 /nfs/dbraw/zinc/30/94/66/1079309466.db2.gz MSEBAYHVLQDMPE-RMKNXTFCSA-N 1 0 410.518 2.393 20 0 HEADRO CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC2(C[C@@H](COC)N(c3ncccn3)C2)CC1 ZINC001169474435 1079312378 /nfs/dbraw/zinc/31/23/78/1079312378.db2.gz YNDJOPFYYMFQHG-MOPGFXCFSA-N 1 0 403.571 2.431 20 0 HEADRO CCOC(=O)c1cnc(N2CCCCC2)nc1NC1(C(=O)OCC)CC[NH+](C)CC1 ZINC001169493522 1079313631 /nfs/dbraw/zinc/31/36/31/1079313631.db2.gz ZYRSGOZOTWTMPF-UHFFFAOYSA-N 1 0 419.526 2.083 20 0 HEADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001169508895 1079317154 /nfs/dbraw/zinc/31/71/54/1079317154.db2.gz COMPLXPAFTXZNB-LJQANCHMSA-N 1 0 402.539 2.454 20 0 HEADRO C[C@H]([NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)c1cnccn1 ZINC001170026464 1079314900 /nfs/dbraw/zinc/31/49/00/1079314900.db2.gz NJUWLRPXIGFKSE-LZWOXQAQSA-N 1 0 407.540 2.038 20 0 HEADRO CCOC(=O)C[C@H]([NH2+][C@@H]1CCN(C(C)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001169503648 1079315465 /nfs/dbraw/zinc/31/54/65/1079315465.db2.gz HXDXGDDQGFHPDZ-MSOLQXFVSA-N 1 0 411.543 2.166 20 0 HEADRO CCOC(=O)N1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)C1 ZINC000771394651 1079320457 /nfs/dbraw/zinc/32/04/57/1079320457.db2.gz YRUROTZVPBNREJ-YSIASYRMSA-N 1 0 423.602 2.196 20 0 HEADRO CC(=O)N1CC[C@H](N([C@@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)S(C)(=O)=O)C1 ZINC001169525328 1079322770 /nfs/dbraw/zinc/32/27/70/1079322770.db2.gz BNPPSFBLXKXTJV-ACRUOGEOSA-N 1 0 401.532 2.310 20 0 HEADRO CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3c(ccc(=O)n3Cc3csc(C)n3)C2)C1 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CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170027819 1079373913 /nfs/dbraw/zinc/37/39/13/1079373913.db2.gz VUCXNJPJSBHNQE-HZMVEIRTSA-N 1 0 413.584 2.038 20 0 HEADRO CCOC(=O)N1CCC[C@H]([N@@H+]2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC001169693337 1079373940 /nfs/dbraw/zinc/37/39/40/1079373940.db2.gz KOQGOIVSUQTDHF-UWJYYQICSA-N 1 0 403.527 2.250 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170027821 1079373919 /nfs/dbraw/zinc/37/39/19/1079373919.db2.gz VUCXNJPJSBHNQE-VQHPVUNQSA-N 1 0 413.584 2.038 20 0 HEADRO CCC[C@@H]1CN(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)CC[N@@H+]1CCOC ZINC000766789591 1079378366 /nfs/dbraw/zinc/37/83/66/1079378366.db2.gz UCPUQMNKAWNEEL-VQIMIIECSA-N 1 0 402.539 2.409 20 0 HEADRO CC(C)(C)OC(=O)N1C[C@H](CO)[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169745568 1079386872 /nfs/dbraw/zinc/38/68/72/1079386872.db2.gz METOJBRIDANWPC-GUDVDZBRSA-N 1 0 403.523 2.109 20 0 HEADRO NC(=O)C1(N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001169748940 1079387744 /nfs/dbraw/zinc/38/77/44/1079387744.db2.gz TWDJBJKEMCNYIH-QFIPXVFZSA-N 1 0 420.557 2.401 20 0 HEADRO Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000766801031 1079388353 /nfs/dbraw/zinc/38/83/53/1079388353.db2.gz VQBNKKJFZQSICR-QUCCMNQESA-N 1 0 403.502 2.419 20 0 HEADRO C[C@@H]([NH2+]C1(CNS(=O)(=O)N2CCC3(CC2)OCCO3)CCCC1)c1ccccc1 ZINC000766802311 1079388711 /nfs/dbraw/zinc/38/87/11/1079388711.db2.gz YPKFHJSWADTBJQ-GOSISDBHSA-N 1 0 423.579 2.323 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169729641 1079390055 /nfs/dbraw/zinc/39/00/55/1079390055.db2.gz UKXLCAJKOVGADM-GCJKJVERSA-N 1 0 403.523 2.253 20 0 HEADRO CS(=O)(=O)c1cccc([C@H](CO)[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001169756576 1079397986 /nfs/dbraw/zinc/39/79/86/1079397986.db2.gz JGOJICUQKPVHIW-QUCCMNQESA-N 1 0 402.516 2.018 20 0 HEADRO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)C1 ZINC001169768687 1079402196 /nfs/dbraw/zinc/40/21/96/1079402196.db2.gz AIFBMBSQYMSXDV-KAOXLYBCSA-N 1 0 414.546 2.434 20 0 HEADRO Cc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000771657152 1079426846 /nfs/dbraw/zinc/42/68/46/1079426846.db2.gz JVIHZAUTQLENSE-QGZVFWFLSA-N 1 0 416.595 2.075 20 0 HEADRO CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001129346681 1079429985 /nfs/dbraw/zinc/42/99/85/1079429985.db2.gz UDSZQHCPHNMEKP-QGZVFWFLSA-N 1 0 412.575 2.178 20 0 HEADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000771662606 1079432829 /nfs/dbraw/zinc/43/28/29/1079432829.db2.gz BDGYXXGBWOTKII-QWHCGFSZSA-N 1 0 403.487 2.417 20 0 HEADRO CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]([NH2+]C3CCC(S(C)(=O)=O)CC3)CC[C@@H]21 ZINC001169852401 1079447641 /nfs/dbraw/zinc/44/76/41/1079447641.db2.gz SYKPQRJUSBLDHP-YOTSKQKMSA-N 1 0 402.557 2.099 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)CCO2 ZINC001169852616 1079447657 /nfs/dbraw/zinc/44/76/57/1079447657.db2.gz YVKZUISTCMRSKU-UGZUTAHUSA-N 1 0 416.584 2.490 20 0 HEADRO CC(C)(C)OC(=O)N1CCCC[C@@](O)(C[NH2+]C2CCC(S(C)(=O)=O)CC2)C1 ZINC001169853847 1079448755 /nfs/dbraw/zinc/44/87/55/1079448755.db2.gz KIYPDVVXTKWZKZ-LADRWXRNSA-N 1 0 404.573 2.084 20 0 HEADRO CC(C)(C)OC(=O)N1CCC(O)(CC[NH2+]C2CCC(S(C)(=O)=O)CC2)CC1 ZINC001169857860 1079450150 /nfs/dbraw/zinc/45/01/50/1079450150.db2.gz QXSIEGVMTCHDFX-UHFFFAOYSA-N 1 0 404.573 2.084 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)C(C)(C)[C@H]21 ZINC001169878658 1079451673 /nfs/dbraw/zinc/45/16/73/1079451673.db2.gz BCFLAYROCWTBQU-BDXSIMOUSA-N 1 0 407.555 2.247 20 0 HEADRO CS(=O)(=O)C1CCC([NH+]2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)CC1 ZINC001169880577 1079455281 /nfs/dbraw/zinc/45/52/81/1079455281.db2.gz PHTUWHFRBYMJJH-UHFFFAOYSA-N 1 0 412.577 2.302 20 0 HEADRO CS(=O)(=O)C1CCC([N@@H+]2CCC[C@]3(C2)COCCN(Cc2ccccn2)C3)CC1 ZINC001169881907 1079456246 /nfs/dbraw/zinc/45/62/46/1079456246.db2.gz YDJGUBRGIOXYAI-HRTMPFAESA-N 1 0 421.607 2.352 20 0 HEADRO O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)NN1C(=O)NC2(CCCCC2)C1=O ZINC001169873343 1079465035 /nfs/dbraw/zinc/46/50/35/1079465035.db2.gz UGJVOLHMRCBSOY-KURKYZTESA-N 1 0 420.554 2.068 20 0 HEADRO CC(C)(C)OC(=O)NC1CN([C@H]2CCC[N@@H+](C3CCC(S(C)(=O)=O)CC3)C2)C1 ZINC001169894153 1079466580 /nfs/dbraw/zinc/46/65/80/1079466580.db2.gz SQLKAIUADGPFJE-ADKAHSJRSA-N 1 0 415.600 2.016 20 0 HEADRO CS(=O)(=O)C1CCC(N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CC1 ZINC001169894040 1079466638 /nfs/dbraw/zinc/46/66/38/1079466638.db2.gz OLXQIXZQVHYYFM-UHFFFAOYSA-N 1 0 406.474 2.410 20 0 HEADRO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169905489 1079472145 /nfs/dbraw/zinc/47/21/45/1079472145.db2.gz NOQULPSFYGILEG-ZACQAIPSSA-N 1 0 412.527 2.450 20 0 HEADRO COC(=O)c1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC4(C3)OCCO4)CC2)c1 ZINC001169937612 1079482332 /nfs/dbraw/zinc/48/23/32/1079482332.db2.gz PSUCOOMGHLSGIM-LJQANCHMSA-N 1 0 402.491 2.353 20 0 HEADRO CCOc1cc([C@@H](CS(C)(=O)=O)[NH2+][C@@H]2CCCC3(C2)OCCO3)ccc1OC ZINC001169910412 1079473729 /nfs/dbraw/zinc/47/37/29/1079473729.db2.gz UQEQTOOGSKWWNX-IAGOWNOFSA-N 1 0 413.536 2.455 20 0 HEADRO O=C(c1cccnc1)N1CCOC2(CC[NH+]([C@@H]3CCCC4(C3)OCCO4)CC2)C1 ZINC001169950966 1079491605 /nfs/dbraw/zinc/49/16/05/1079491605.db2.gz YHVQPORWTCFLEI-LJQANCHMSA-N 1 0 401.507 2.074 20 0 HEADRO COC(=O)c1ccccc1C(=O)N1CCC([NH2+][C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169922906 1079485281 /nfs/dbraw/zinc/48/52/81/1079485281.db2.gz FVAJBWRZOVEROL-KRWDZBQOSA-N 1 0 402.491 2.353 20 0 HEADRO Cc1ccc(N2CCOC[C@]3(CCC[N@@H+]([C@H]4CCCC5(C4)OCCO5)C3)C2)nn1 ZINC001169951194 1079491696 /nfs/dbraw/zinc/49/16/96/1079491696.db2.gz XRWIEJWSRCZYNY-FPOVZHCZSA-N 1 0 402.539 2.390 20 0 HEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCCNc3ccccc3)cc2)CC1 ZINC000737266713 1075896469 /nfs/dbraw/zinc/89/64/69/1075896469.db2.gz IORWFPAIZZTNFN-UHFFFAOYSA-N 1 0 409.534 2.385 20 0 HEADRO CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000737306494 1075904059 /nfs/dbraw/zinc/90/40/59/1075904059.db2.gz VEZXNEYZOQYHIR-OYHNWAKOSA-N 1 0 422.545 2.208 20 0 HEADRO C[C@@H]1N(c2cccnc2)C(=O)COC12CC[NH+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169945005 1079487578 /nfs/dbraw/zinc/48/75/78/1079487578.db2.gz HIGHTKBLYAYUBQ-ROUUACIJSA-N 1 0 401.507 2.354 20 0 HEADRO COC(=O)c1cc2c(nc1N(C1CC1)[C@H]1CCCC3(C1)OCCO3)CC[NH2+]CC2 ZINC001169945580 1079488371 /nfs/dbraw/zinc/48/83/71/1079488371.db2.gz KSUDNKMGOSDELI-KRWDZBQOSA-N 1 0 401.507 2.211 20 0 HEADRO O=C(NCc1ccco1)[C@@H]1CO[C@@H]2CC[N@@H+]([C@H]3CCCC4(C3)OCCO4)C[C@@H]2C1 ZINC001169946372 1079488941 /nfs/dbraw/zinc/48/89/41/1079488941.db2.gz ACIIMKBBBSLXKI-CGBFIWBNSA-N 1 0 404.507 2.309 20 0 HEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000737744360 1075921467 /nfs/dbraw/zinc/92/14/67/1075921467.db2.gz WUYUJLNOOASAMF-NIHHCSOHSA-N 1 0 419.591 2.498 20 0 HEADRO C[C@@H](CN/C=C1/c2ccccc2C(=O)N(c2ccccn2)C1=O)C[NH+]1CCOCC1 ZINC000737753265 1075923220 /nfs/dbraw/zinc/92/32/20/1075923220.db2.gz TUDOAOFUBCYWEN-SWEXZPIWSA-N 1 0 406.486 2.167 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)C(=O)Nc1ccc(N3CCCC3)cc1)CC2 ZINC000771777626 1079499946 /nfs/dbraw/zinc/49/99/46/1079499946.db2.gz MYMHWGTZWBPYFK-INIZCTEOSA-N 1 0 414.506 2.398 20 0 HEADRO CC(C)[NH+]1CCN(c2ccc(Nc3cc(=O)n(C)c(=O)n3-c3ccccc3)cn2)CC1 ZINC001169957832 1079493805 /nfs/dbraw/zinc/49/38/05/1079493805.db2.gz HUXSFVDGYPARNY-UHFFFAOYSA-N 1 0 420.517 2.205 20 0 HEADRO COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCC(C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000738070764 1075957634 /nfs/dbraw/zinc/95/76/34/1075957634.db2.gz AHDWTGVXIBBHKO-HSZRJFAPSA-N 1 0 414.550 2.314 20 0 HEADRO CCOc1ccccc1N1C(=O)C(=O)N(CN2CCC(C[NH+](CC)CC)CC2)C1=O ZINC000738070057 1075957950 /nfs/dbraw/zinc/95/79/50/1075957950.db2.gz AHTVNMHLDMFEFN-UHFFFAOYSA-N 1 0 416.522 2.392 20 0 HEADRO CCCC[N@H+](C)CC1CCN(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC1 ZINC000738072243 1075958001 /nfs/dbraw/zinc/95/80/01/1075958001.db2.gz XOSZSZHDDRZXGX-UHFFFAOYSA-N 1 0 420.579 2.483 20 0 HEADRO CC(C)Cn1c(CCC(N)=O)nn(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1=S ZINC000738097240 1075960372 /nfs/dbraw/zinc/96/03/72/1075960372.db2.gz AWCQUUNZLBEZBK-QGZVFWFLSA-N 1 0 408.616 2.396 20 0 HEADRO O=c1c(Br)c(Br)cnn1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000738104664 1075963860 /nfs/dbraw/zinc/96/38/60/1075963860.db2.gz NBMVLVMTJZIJKB-NSHDSACASA-N 1 0 420.149 2.286 20 0 HEADRO O=C1CN(/C=C\c2ccccc2)C(=O)N1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738112613 1075966138 /nfs/dbraw/zinc/96/61/38/1075966138.db2.gz YRWVFDRDFQWLPP-LCYFTJDESA-N 1 0 412.534 2.313 20 0 HEADRO Cc1ccccc1[C@]1(C)NC(=O)N(CN2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738111558 1075966186 /nfs/dbraw/zinc/96/61/86/1075966186.db2.gz NHAZWYYHIPFBIS-QHCPKHFHSA-N 1 0 414.550 2.154 20 0 HEADRO CC(C)(C)[C@@H]1CCc2c(sc(=O)n2CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000738160573 1075970865 /nfs/dbraw/zinc/97/08/65/1075970865.db2.gz JYRJVECPDSFMDD-QGZVFWFLSA-N 1 0 420.623 2.258 20 0 HEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CN2C(=O)C(=O)c3c2c(F)ccc3Cl)CC1 ZINC000738169026 1075972245 /nfs/dbraw/zinc/97/22/45/1075972245.db2.gz CYUMHHTUUVKPRF-AWEZNQCLSA-N 1 0 408.905 2.068 20 0 HEADRO C[NH+](C)C[C@H]1CCN(Cn2nc(N3CCOCC3)n(-c3cccc(F)c3)c2=S)C1 ZINC000738223371 1075975524 /nfs/dbraw/zinc/97/55/24/1075975524.db2.gz INMFJDIJUVBQGE-MRXNPFEDSA-N 1 0 420.558 2.220 20 0 HEADRO Cc1ccccc1-n1c(=S)n(CN2CC[C@H](C[NH+](C)C)C2)nc1N1CCOCC1 ZINC000738220992 1075975537 /nfs/dbraw/zinc/97/55/37/1075975537.db2.gz BCODRJTXSDMLOE-GOSISDBHSA-N 1 0 416.595 2.389 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738224088 1075975957 /nfs/dbraw/zinc/97/59/57/1075975957.db2.gz LAFRIQVCEJXZIY-UGSOOPFHSA-N 1 0 409.328 2.057 20 0 HEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)nn3-c3ncccc3Cl)C[C@@H]21 ZINC001273359448 1075976449 /nfs/dbraw/zinc/97/64/49/1075976449.db2.gz GVXFOTRZSFJWTP-MFKMUULPSA-N 1 0 410.703 2.459 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000738228481 1075976517 /nfs/dbraw/zinc/97/65/17/1075976517.db2.gz WLPOZVBHIWWSFD-ZBEGNZNMSA-N 1 0 415.357 2.119 20 0 HEADRO C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000738228480 1075976626 /nfs/dbraw/zinc/97/66/26/1075976626.db2.gz WLPOZVBHIWWSFD-MEDUHNTESA-N 1 0 415.357 2.119 20 0 HEADRO C[NH+](C)CCOc1ccccc1N1CCN(CN2C[C@H](c3ccccn3)CC2=O)CC1 ZINC000738286162 1075979694 /nfs/dbraw/zinc/97/96/94/1075979694.db2.gz XXZPMPMTPIWVRT-HXUWFJFHSA-N 1 0 423.561 2.118 20 0 HEADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000738314622 1075987936 /nfs/dbraw/zinc/98/79/36/1075987936.db2.gz QJHLHPOEUFJQRJ-QXATTWAWSA-N 1 0 416.522 2.394 20 0 HEADRO COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC001169963400 1079497420 /nfs/dbraw/zinc/49/74/20/1079497420.db2.gz WNOLYZFINGVRMT-BRWVUGGUSA-N 1 0 412.527 2.450 20 0 HEADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000738366469 1075990946 /nfs/dbraw/zinc/99/09/46/1075990946.db2.gz RTIYKSQOWLUJHD-UHFFFAOYSA-N 1 0 416.334 2.014 20 0 HEADRO C[N@H+](CCN1CCN(S(=O)(=O)c2cccnc2Cl)CC1)Cc1ccccc1 ZINC000738374094 1075991916 /nfs/dbraw/zinc/99/19/16/1075991916.db2.gz NJCRTOCYCBYSCE-UHFFFAOYSA-N 1 0 408.955 2.173 20 0 HEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2cccc3ncccc32)CC1 ZINC000738364599 1075998197 /nfs/dbraw/zinc/99/81/97/1075998197.db2.gz BJSLGNWKYNTTAG-QZTJIDSGSA-N 1 0 402.564 2.414 20 0 HEADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)N(C)CC13CC4CC(CC(C4)C1)C3)CC2 ZINC000771779438 1079499570 /nfs/dbraw/zinc/49/95/70/1079499570.db2.gz STJACRUEVYUEFL-UHFFFAOYSA-N 1 0 417.550 2.445 20 0 HEADRO CON(C)C(=O)c1ccc(NC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000738941132 1076027168 /nfs/dbraw/zinc/02/71/68/1076027168.db2.gz KHTATGKTQDGNNQ-HDICACEKSA-N 1 0 417.554 2.342 20 0 HEADRO Cn1ccnc1[C@@](O)(CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(F)(F)F ZINC000738968480 1076027725 /nfs/dbraw/zinc/02/77/25/1076027725.db2.gz WJROQHCHZZJSDF-SFHVURJKSA-N 1 0 417.476 2.220 20 0 HEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCc3ccccc3CO)cc2)CC1 ZINC000739083257 1076032580 /nfs/dbraw/zinc/03/25/80/1076032580.db2.gz YKSXVXMLZBOREA-UHFFFAOYSA-N 1 0 424.545 2.212 20 0 HEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)C1 ZINC000739066384 1076034911 /nfs/dbraw/zinc/03/49/11/1076034911.db2.gz HYZHQBFJJFIJSW-MOPGFXCFSA-N 1 0 416.566 2.479 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000739065979 1076035092 /nfs/dbraw/zinc/03/50/92/1076035092.db2.gz GKJXEQKKWZPYFO-QZTJIDSGSA-N 1 0 402.539 2.231 20 0 HEADRO CCN(C[C@H]1CCOC1)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739069631 1076036853 /nfs/dbraw/zinc/03/68/53/1076036853.db2.gz JPYOQCHYDIJNGY-LJQANCHMSA-N 1 0 416.566 2.288 20 0 HEADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000739071892 1076037673 /nfs/dbraw/zinc/03/76/73/1076037673.db2.gz UKHORCYUKPWWGD-FQEVSTJZSA-N 1 0 402.539 2.041 20 0 HEADRO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000739071671 1076037702 /nfs/dbraw/zinc/03/77/02/1076037702.db2.gz VYTCPVULMZFXQV-SFHVURJKSA-N 1 0 402.539 2.233 20 0 HEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000739071893 1076037729 /nfs/dbraw/zinc/03/77/29/1076037729.db2.gz UKHORCYUKPWWGD-HXUWFJFHSA-N 1 0 402.539 2.041 20 0 HEADRO Cc1cccc(CNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000739079407 1076038768 /nfs/dbraw/zinc/03/87/68/1076038768.db2.gz HCLUISPYZPABGE-UHFFFAOYSA-N 1 0 409.534 2.423 20 0 HEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000739078512 1076038901 /nfs/dbraw/zinc/03/89/01/1076038901.db2.gz CYEYOGITYMKVNO-KZNAEPCWSA-N 1 0 402.539 2.087 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000739088198 1076042820 /nfs/dbraw/zinc/04/28/20/1076042820.db2.gz NJUCBPDAFMBYPT-QGZVFWFLSA-N 1 0 402.539 2.231 20 0 HEADRO CC[C@H](NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)c1nccs1 ZINC000739117106 1076045854 /nfs/dbraw/zinc/04/58/54/1076045854.db2.gz LUGKAXCBWVXROS-KRWDZBQOSA-N 1 0 401.536 2.491 20 0 HEADRO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000739120802 1076046601 /nfs/dbraw/zinc/04/66/01/1076046601.db2.gz TWERDMKCWOHVGJ-QUCCMNQESA-N 1 0 414.550 2.327 20 0 HEADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)cc1F ZINC000739119790 1076046661 /nfs/dbraw/zinc/04/66/61/1076046661.db2.gz ODEGWPZPRWSTTD-AWEZNQCLSA-N 1 0 408.449 2.339 20 0 HEADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739696515 1076072597 /nfs/dbraw/zinc/07/25/97/1076072597.db2.gz JARGOQKHBUHZMD-DLBZAZTESA-N 1 0 411.543 2.071 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)ccn2)CC1 ZINC000739698606 1076073526 /nfs/dbraw/zinc/07/35/26/1076073526.db2.gz KIMDOQMXHGDHBM-ROUUACIJSA-N 1 0 417.554 2.143 20 0 HEADRO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739875140 1076084693 /nfs/dbraw/zinc/08/46/93/1076084693.db2.gz GNFQVPFRFQJUCD-KXBFYZLASA-N 1 0 410.440 2.371 20 0 HEADRO COC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)ccc1OC ZINC000739958283 1076088294 /nfs/dbraw/zinc/08/82/94/1076088294.db2.gz ILGUCLLTHCMDFS-UHFFFAOYSA-N 1 0 422.503 2.247 20 0 HEADRO CC[C@H]1CCCCC[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000739926950 1076093854 /nfs/dbraw/zinc/09/38/54/1076093854.db2.gz PKVGFGQPIBNJOU-HRAATJIYSA-N 1 0 402.495 2.148 20 0 HEADRO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000739926408 1076093988 /nfs/dbraw/zinc/09/39/88/1076093988.db2.gz MJBKRALKWNMUBR-CQSZACIVSA-N 1 0 401.479 2.039 20 0 HEADRO CCOC(=O)C1C(CN2CC[C@@H](C[NH+]3CCCC3)C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000739926985 1076094220 /nfs/dbraw/zinc/09/42/20/1076094220.db2.gz QRVDODSWGNWILZ-LAUBAEHRSA-N 1 0 412.534 2.275 20 0 HEADRO O=C(COC(=O)C1(O)CCC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000740228211 1076129507 /nfs/dbraw/zinc/12/95/07/1076129507.db2.gz OTUSFJZKNOTDTE-UHFFFAOYSA-N 1 0 423.513 2.406 20 0 HEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000766249942 1076147087 /nfs/dbraw/zinc/14/70/87/1076147087.db2.gz QWQNSUUJESJCQO-ZWKOTPCHSA-N 1 0 405.543 2.111 20 0 HEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1F)C[NH+]1CCN(C)CC1 ZINC000740493161 1076172295 /nfs/dbraw/zinc/17/22/95/1076172295.db2.gz AQBMBTXMJFDCKB-QGZVFWFLSA-N 1 0 412.509 2.431 20 0 HEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1)C[NH+]1CCCCC1 ZINC000740496758 1076175417 /nfs/dbraw/zinc/17/54/17/1076175417.db2.gz ZGCZSQXPCQRREZ-SFHVURJKSA-N 1 0 410.518 2.073 20 0 HEADRO CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000740511960 1076198681 /nfs/dbraw/zinc/19/86/81/1076198681.db2.gz CHYGHNGLFGOZNS-OAHLLOKOSA-N 1 0 417.510 2.311 20 0 HEADRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000740727263 1076217508 /nfs/dbraw/zinc/21/75/08/1076217508.db2.gz JRCQAOJAGDCVEZ-UHFFFAOYSA-N 1 0 400.504 2.366 20 0 HEADRO CC[N@@H+]1C[C@H](C)N(CC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)C[C@@H]1C ZINC000766255924 1076225546 /nfs/dbraw/zinc/22/55/46/1076225546.db2.gz ZOKOOPHQBOWDRI-FTRWYGJKSA-N 1 0 400.523 2.224 20 0 HEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000740757671 1076228474 /nfs/dbraw/zinc/22/84/74/1076228474.db2.gz SPZVTQNULHSUBG-HZPDHXFCSA-N 1 0 420.529 2.368 20 0 HEADRO C[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740827173 1076249816 /nfs/dbraw/zinc/24/98/16/1076249816.db2.gz DETQLKLCRORRME-WMZOPIPTSA-N 1 0 417.554 2.209 20 0 HEADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@@H]1C ZINC000740883337 1076283098 /nfs/dbraw/zinc/28/30/98/1076283098.db2.gz NOAKXXVXCNNRNC-KBPBESRZSA-N 1 0 403.495 2.426 20 0 HEADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C[C@H]1C ZINC000740884299 1076284225 /nfs/dbraw/zinc/28/42/25/1076284225.db2.gz UBLDZJAJEOTUDO-YLJYHZDGSA-N 1 0 418.557 2.482 20 0 HEADRO CC[C@H]1C[N@H+](CCCS(=O)(=O)NC)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740887593 1076285960 /nfs/dbraw/zinc/28/59/60/1076285960.db2.gz WLUHGRYTSQUYQL-OALUTQOASA-N 1 0 411.568 2.437 20 0 HEADRO C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000740905119 1076298484 /nfs/dbraw/zinc/29/84/84/1076298484.db2.gz YVFPOGQACLTVOA-MLHJIOFPSA-N 1 0 412.575 2.430 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3cnc4onc(C)c4c3)cc2)CC1 ZINC000740950159 1076311514 /nfs/dbraw/zinc/31/15/14/1076311514.db2.gz OSXHVVOZWHMCIA-UHFFFAOYSA-N 1 0 423.473 2.469 20 0 HEADRO CC(C)CCn1cc(C(=O)O[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000740990244 1076320894 /nfs/dbraw/zinc/32/08/94/1076320894.db2.gz SXPDCNLGKLYJRQ-HKUYNNGSSA-N 1 0 413.522 2.260 20 0 HEADRO CC[C@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)[NH+](CC)CC ZINC000741032184 1076331638 /nfs/dbraw/zinc/33/16/38/1076331638.db2.gz AXVCFQBCSIITQG-OAHLLOKOSA-N 1 0 407.467 2.160 20 0 HEADRO CCCCn1c2nc(COC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)n(CC)c2c(=O)[nH]c1=O ZINC000741018048 1076337764 /nfs/dbraw/zinc/33/77/64/1076337764.db2.gz FKJVXAKVGYAPTD-ZNMIVQPWSA-N 1 0 419.526 2.423 20 0 HEADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@](C)(O)c2ccsc2)c2ccccc2)CC1 ZINC000741083935 1076348749 /nfs/dbraw/zinc/34/87/49/1076348749.db2.gz DBAPXTUXXMJDAT-CTNGQTDRSA-N 1 0 402.564 2.244 20 0 HEADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@@H](O)c2c(F)cccc2F)c2ccccc2)CC1 ZINC000741084395 1076348865 /nfs/dbraw/zinc/34/88/65/1076348865.db2.gz MOIGSNSWXSRDHG-WOJBJXKFSA-N 1 0 418.488 2.286 20 0 HEADRO C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741088268 1076350590 /nfs/dbraw/zinc/35/05/90/1076350590.db2.gz PMCDHDFRSJULSR-KRWDZBQOSA-N 1 0 412.575 2.264 20 0 HEADRO C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc(N2CCOC2=O)c1 ZINC000741083416 1076357426 /nfs/dbraw/zinc/35/74/26/1076357426.db2.gz OUIJYEQBLDVVCE-INIZCTEOSA-N 1 0 404.511 2.192 20 0 HEADRO CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000741105004 1076358677 /nfs/dbraw/zinc/35/86/77/1076358677.db2.gz LPTCJLBIZJPXPJ-QFIPXVFZSA-N 1 0 404.555 2.070 20 0 HEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000741099935 1076370303 /nfs/dbraw/zinc/37/03/03/1076370303.db2.gz PJPPEEGTIMRUIO-MAUKXSAKSA-N 1 0 418.538 2.448 20 0 HEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000741099937 1076370400 /nfs/dbraw/zinc/37/04/00/1076370400.db2.gz PJPPEEGTIMRUIO-QAPCUYQASA-N 1 0 418.538 2.448 20 0 HEADRO O=C(CCC[NH+]1CCCCC1)N1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001066352385 1076390687 /nfs/dbraw/zinc/39/06/87/1076390687.db2.gz QFQIYJYWOHGOJY-NHHWGVFUSA-N 1 0 403.567 2.173 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC000741267769 1076437604 /nfs/dbraw/zinc/43/76/04/1076437604.db2.gz ALOSEAFYZUGMGE-WOJBJXKFSA-N 1 0 403.523 2.433 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)CCO1 ZINC000741268139 1076437940 /nfs/dbraw/zinc/43/79/40/1076437940.db2.gz DNKCYENEBGBHGF-RBUKOAKNSA-N 1 0 407.511 2.052 20 0 HEADRO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)C(=O)Nc1ccc(N3CCOCC3)cc1)CC2 ZINC000741257036 1076445730 /nfs/dbraw/zinc/44/57/30/1076445730.db2.gz RYAIBOLNLJBMJN-DZFGPLHGSA-N 1 0 417.550 2.102 20 0 HEADRO C[C@@H](OC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC(=O)NCC(F)(F)F ZINC000741321240 1076467036 /nfs/dbraw/zinc/46/70/36/1076467036.db2.gz SEKFAVZMSAJXAB-UKRRQHHQSA-N 1 0 415.412 2.218 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000741338815 1076471353 /nfs/dbraw/zinc/47/13/53/1076471353.db2.gz SPRARPATMFTVGC-VQIMIIECSA-N 1 0 403.523 2.188 20 0 HEADRO COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000741327266 1076478081 /nfs/dbraw/zinc/47/80/81/1076478081.db2.gz NKEAMOVARKWGDD-PXNSSMCTSA-N 1 0 416.518 2.242 20 0 HEADRO CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000741332042 1076479069 /nfs/dbraw/zinc/47/90/69/1076479069.db2.gz YSXDHTFMENDVGI-HXUWFJFHSA-N 1 0 416.518 2.244 20 0 HEADRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000741336688 1076481586 /nfs/dbraw/zinc/48/15/86/1076481586.db2.gz BUVBOLPFZGPODY-APWZRJJASA-N 1 0 424.563 2.109 20 0 HEADRO CCN(CCNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000741406306 1076512366 /nfs/dbraw/zinc/51/23/66/1076512366.db2.gz ATOKJAYWNJXAJF-QFIPXVFZSA-N 1 0 420.554 2.180 20 0 HEADRO CCOC(=O)[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000741409352 1076513422 /nfs/dbraw/zinc/51/34/22/1076513422.db2.gz MPALNUPHTRXUTI-GOSISDBHSA-N 1 0 409.914 2.278 20 0 HEADRO C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000741414736 1076515501 /nfs/dbraw/zinc/51/55/01/1076515501.db2.gz VFUIMUNSPLPGEM-XDHUDOTRSA-N 1 0 422.529 2.203 20 0 HEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1ccc(CN2CCOC2=O)cc1 ZINC000741391769 1076518926 /nfs/dbraw/zinc/51/89/26/1076518926.db2.gz NPBYSIQZDFDMJJ-QHCPKHFHSA-N 1 0 424.501 2.397 20 0 HEADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CN1c2ccccc2OCCC1=O ZINC000741580304 1076552213 /nfs/dbraw/zinc/55/22/13/1076552213.db2.gz YLSVIZITENMLFI-LJQANCHMSA-N 1 0 422.529 2.129 20 0 HEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000741584371 1076553558 /nfs/dbraw/zinc/55/35/58/1076553558.db2.gz JCDNLCFPPPUKGV-CRAIPNDOSA-N 1 0 411.543 2.413 20 0 HEADRO COCCN(CC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C(=O)OC(C)(C)C ZINC000741605136 1076563058 /nfs/dbraw/zinc/56/30/58/1076563058.db2.gz ZPOGAHFASGWFOT-UHFFFAOYSA-N 1 0 405.539 2.085 20 0 HEADRO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)Cc2ccccc2C1 ZINC000741604511 1076563503 /nfs/dbraw/zinc/56/35/03/1076563503.db2.gz SDJHCZFRLKORLJ-MRXNPFEDSA-N 1 0 413.440 2.365 20 0 HEADRO CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1(C)C ZINC000766275073 1076576388 /nfs/dbraw/zinc/57/63/88/1076576388.db2.gz NAYWRMZQWFVNGN-RBUKOAKNSA-N 1 0 402.539 2.085 20 0 HEADRO CC(C)c1nn(C)c(Cl)c1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000741687666 1076586438 /nfs/dbraw/zinc/58/64/38/1076586438.db2.gz RHWWIMJYNXLXAH-UHFFFAOYSA-N 1 0 419.961 2.319 20 0 HEADRO CN(C(=O)c1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000741713721 1076589915 /nfs/dbraw/zinc/58/99/15/1076589915.db2.gz HITYLJJKGBILDK-KRWDZBQOSA-N 1 0 404.511 2.316 20 0 HEADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC[N@@H+]1C ZINC000741722493 1076593702 /nfs/dbraw/zinc/59/37/02/1076593702.db2.gz PJABPTXBUBQJKM-PBHICJAKSA-N 1 0 412.515 2.460 20 0 HEADRO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741779587 1076624374 /nfs/dbraw/zinc/62/43/74/1076624374.db2.gz LRIMUUZANKGXLF-ZWKOTPCHSA-N 1 0 408.587 2.308 20 0 HEADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)[C@@H](C)C(C)C ZINC000741788156 1076627907 /nfs/dbraw/zinc/62/79/07/1076627907.db2.gz OLENMGXJWOYNNM-QMDZLVRISA-N 1 0 407.580 2.498 20 0 HEADRO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)NC(=O)N[C@@H]1C ZINC000741797913 1076639729 /nfs/dbraw/zinc/63/97/29/1076639729.db2.gz BVFHGBFGXXAPKH-NVXWUHKLSA-N 1 0 401.507 2.468 20 0 HEADRO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)CC1 ZINC000741800285 1076640964 /nfs/dbraw/zinc/64/09/64/1076640964.db2.gz UWZQHZMZULPKBU-LJQANCHMSA-N 1 0 403.523 2.250 20 0 HEADRO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCCC(C)(C)CC3)C2=O)c1 ZINC000741806372 1076644006 /nfs/dbraw/zinc/64/40/06/1076644006.db2.gz XCTRVRKXXPAFNZ-OAQYLSRUSA-N 1 0 402.495 2.006 20 0 HEADRO Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000737451143 1076651786 /nfs/dbraw/zinc/65/17/86/1076651786.db2.gz JVJLSZUZPBVIJR-SFHVURJKSA-N 1 0 418.607 2.184 20 0 HEADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000741861007 1076658288 /nfs/dbraw/zinc/65/82/88/1076658288.db2.gz IIMALNMQBRQKAC-UHFFFAOYSA-N 1 0 424.636 2.296 20 0 HEADRO C[NH+](C)CCCNC(=S)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000741871420 1076662439 /nfs/dbraw/zinc/66/24/39/1076662439.db2.gz YLIGOJLGDZPFQB-HNNXBMFYSA-N 1 0 400.495 2.199 20 0 HEADRO C[C@@H](CNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000742048254 1076717849 /nfs/dbraw/zinc/71/78/49/1076717849.db2.gz ORDLHRDLGKPHNQ-SJORKVTESA-N 1 0 420.579 2.084 20 0 HEADRO CC1CC[NH+](CCCNC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000742037117 1076727238 /nfs/dbraw/zinc/72/72/38/1076727238.db2.gz UBBVCXMGXQNKRP-UHFFFAOYSA-N 1 0 420.579 2.086 20 0 HEADRO O=C(OCc1ccccc1)N1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742107479 1076744268 /nfs/dbraw/zinc/74/42/68/1076744268.db2.gz LCKMUCWIGFGUAT-NHCUHLMSSA-N 1 0 415.534 2.358 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000742098280 1076749480 /nfs/dbraw/zinc/74/94/80/1076749480.db2.gz IJVDAVFFUWAYAP-UHFFFAOYSA-N 1 0 411.543 2.462 20 0 HEADRO CC[NH+]1CCC(CCNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 ZINC000742097982 1076749502 /nfs/dbraw/zinc/74/95/02/1076749502.db2.gz CHZSJPRHBBQSJQ-UHFFFAOYSA-N 1 0 424.386 2.010 20 0 HEADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)C2=O)cc1 ZINC000742136164 1076752004 /nfs/dbraw/zinc/75/20/04/1076752004.db2.gz QNSDKCMTBLNNSP-XMSQKQJNSA-N 1 0 400.523 2.095 20 0 HEADRO C[N@H+](CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O)C(C1CC1)C1CC1 ZINC000742148448 1076765664 /nfs/dbraw/zinc/76/56/64/1076765664.db2.gz UXBUNHLSPKQFOK-UHFFFAOYSA-N 1 0 406.527 2.386 20 0 HEADRO COc1ccc(-c2nn(CN3CC[NH+](CC(C)(C)O)CC3)c(=O)c3ccccc32)cc1 ZINC000742151341 1076767389 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408.587 2.307 20 0 HEADRO C[NH+](C)CCc1ccc(CNC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000786251591 1080490259 /nfs/dbraw/zinc/49/02/59/1080490259.db2.gz NMMABPQRBFZVQI-WOJBJXKFSA-N 1 0 401.507 2.418 20 0 HEADRO C[NH+](C)CCc1ccc(CNC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 ZINC000786227673 1080507170 /nfs/dbraw/zinc/50/71/70/1080507170.db2.gz ODLXXCIXSDCXBY-UHFFFAOYSA-N 1 0 401.894 2.486 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000786284251 1080529811 /nfs/dbraw/zinc/52/98/11/1080529811.db2.gz IZCLYNOQRKVXPO-KSFYIVLOSA-N 1 0 403.523 2.357 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000786284232 1080529879 /nfs/dbraw/zinc/52/98/79/1080529879.db2.gz IZCLYNOQRKVXPO-AOMKIAJQSA-N 1 0 403.523 2.357 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000786268212 1080551140 /nfs/dbraw/zinc/55/11/40/1080551140.db2.gz DSWCLSKHOHUWLA-MRXNPFEDSA-N 1 0 403.504 2.211 20 0 HEADRO COC(=O)CCc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000786327759 1080563761 /nfs/dbraw/zinc/56/37/61/1080563761.db2.gz IUZWYKMUIHYZOS-UHFFFAOYSA-N 1 0 401.507 2.208 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000786330023 1080564477 /nfs/dbraw/zinc/56/44/77/1080564477.db2.gz AUCUFKYTQWCONQ-ROUUACIJSA-N 1 0 407.580 2.399 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000786334480 1080566905 /nfs/dbraw/zinc/56/69/05/1080566905.db2.gz QIWOERYXOPBVLM-AEFFLSMTSA-N 1 0 424.586 2.127 20 0 HEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000786334483 1080566986 /nfs/dbraw/zinc/56/69/86/1080566986.db2.gz QIWOERYXOPBVLM-WMZOPIPTSA-N 1 0 424.586 2.127 20 0 HEADRO CC(C)[NH+](CCCNC(=O)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C(C)C ZINC000786378583 1080578359 /nfs/dbraw/zinc/57/83/59/1080578359.db2.gz XZPDTXPWZLEITR-UHFFFAOYSA-N 1 0 416.566 2.164 20 0 HEADRO CN(C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000786389739 1080582117 /nfs/dbraw/zinc/58/21/17/1080582117.db2.gz FEFJOGABNNBRPS-KRWDZBQOSA-N 1 0 422.570 2.025 20 0 HEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)C1 ZINC000786408934 1080588935 /nfs/dbraw/zinc/58/89/35/1080588935.db2.gz KJMAXPCOLLDZEI-KRWDZBQOSA-N 1 0 424.586 2.319 20 0 HEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786412961 1080591191 /nfs/dbraw/zinc/59/11/91/1080591191.db2.gz LRPSTJYADNVUMW-IRXDYDNUSA-N 1 0 424.586 2.129 20 0 HEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2nc(-c3cccs3)n(CCC(N)=O)c2=S)C1 ZINC000768503148 1080595637 /nfs/dbraw/zinc/59/56/37/1080595637.db2.gz QLMWFBLAGJEGRL-GJZGRUSLSA-N 1 0 420.608 2.392 20 0 HEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2coc(C3CCCCC3)n2)C1 ZINC000786432605 1080598447 /nfs/dbraw/zinc/59/84/47/1080598447.db2.gz XKSBIAHEEVWKPA-KRWDZBQOSA-N 1 0 407.511 2.352 20 0 HEADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC(c4c(F)cccc4F)=NO3)CC2)CC1 ZINC000786484209 1080624937 /nfs/dbraw/zinc/62/49/37/1080624937.db2.gz LSFSIUVKXKPPJE-FQEVSTJZSA-N 1 0 420.504 2.475 20 0 HEADRO CN(CC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(C(F)(F)F)cc1C=O ZINC000746588377 1080630652 /nfs/dbraw/zinc/63/06/52/1080630652.db2.gz JUEMHZZUIUOCKM-UHFFFAOYSA-N 1 0 414.472 2.098 20 0 HEADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3ccnc(Cl)c3N)cc2)CC1 ZINC000768566887 1080634816 /nfs/dbraw/zinc/63/48/16/1080634816.db2.gz RHUTVONTNIZBHC-UHFFFAOYSA-N 1 0 417.897 2.255 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)[C@H]2CC23CCOCC3)CC1 ZINC000786456645 1080638212 /nfs/dbraw/zinc/63/82/12/1080638212.db2.gz ZERZHAOCNULLPW-HXUWFJFHSA-N 1 0 400.519 2.436 20 0 HEADRO COc1ccc(CNC(=O)C[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1 ZINC000768668230 1080707676 /nfs/dbraw/zinc/70/76/76/1080707676.db2.gz HSZNSAGXHGPNDO-SJLPKXTDSA-N 1 0 421.538 2.316 20 0 HEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCc1ccc(Cl)nc1 ZINC000786615367 1080710283 /nfs/dbraw/zinc/71/02/83/1080710283.db2.gz VITPYQMFNDREBI-CRAIPNDOSA-N 1 0 400.910 2.378 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000768692324 1080711575 /nfs/dbraw/zinc/71/15/75/1080711575.db2.gz KIXBDFILCCDPDI-QBPKDAKJSA-N 1 0 404.573 2.346 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000768692326 1080711617 /nfs/dbraw/zinc/71/16/17/1080711617.db2.gz KIXBDFILCCDPDI-VQHPVUNQSA-N 1 0 404.573 2.346 20 0 HEADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(OCc3ccccc3)cc2)cn1 ZINC000768702155 1080715542 /nfs/dbraw/zinc/71/55/42/1080715542.db2.gz ORHBOARTGDFCGG-UHFFFAOYSA-N 1 0 421.501 2.279 20 0 HEADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000768717606 1080733886 /nfs/dbraw/zinc/73/38/86/1080733886.db2.gz ADHZKUDUGGOWTL-HXUWFJFHSA-N 1 0 423.448 2.317 20 0 HEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000768719962 1080735765 /nfs/dbraw/zinc/73/57/65/1080735765.db2.gz HBOIQMJKBNJIRX-MRXNPFEDSA-N 1 0 419.913 2.033 20 0 HEADRO C[C@H]1[C@@H](C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000786633100 1080750899 /nfs/dbraw/zinc/75/08/99/1080750899.db2.gz UVUXSHRSKMJAOA-BBRMVZONSA-N 1 0 404.511 2.431 20 0 HEADRO COCCN(CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C(=O)OC(C)(C)C ZINC000786683252 1080756181 /nfs/dbraw/zinc/75/61/81/1080756181.db2.gz AJTJTJGGMYAAHM-UHFFFAOYSA-N 1 0 424.546 2.155 20 0 HEADRO Cc1cccc([C@H](O)CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000768735964 1080761339 /nfs/dbraw/zinc/76/13/39/1080761339.db2.gz AYUWMVZYLFOWMJ-HXUWFJFHSA-N 1 0 413.543 2.332 20 0 HEADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCOC[C@@H]3C[C@@H](O)c3ccco3)n2)CC1 ZINC000786699750 1080761591 /nfs/dbraw/zinc/76/15/91/1080761591.db2.gz PYLRPVWDVTWJNR-DLBZAZTESA-N 1 0 403.483 2.099 20 0 HEADRO C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1cccc(NS(C)(=O)=O)c1 ZINC000786706337 1080764284 /nfs/dbraw/zinc/76/42/84/1080764284.db2.gz PKXSHNDVTSAJFF-AWEZNQCLSA-N 1 0 420.539 2.404 20 0 HEADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000786725286 1080776348 /nfs/dbraw/zinc/77/63/48/1080776348.db2.gz SHOGXWCVZSCHNI-HLLBOEOZSA-N 1 0 413.588 2.114 20 0 HEADRO CC1CC[NH+](C2CCC(NC(=O)C(=O)NCCCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000786747612 1080792767 /nfs/dbraw/zinc/79/27/67/1080792767.db2.gz RMRDDSFSSPKBCS-UHFFFAOYSA-N 1 0 424.586 2.177 20 0 HEADRO CC[NH+]1CCN([C@H](C)CNC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 ZINC000746602919 1080799279 /nfs/dbraw/zinc/79/92/79/1080799279.db2.gz JWEOPPVVSXMGML-OAHLLOKOSA-N 1 0 414.472 2.096 20 0 HEADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000786774893 1080816598 /nfs/dbraw/zinc/81/65/98/1080816598.db2.gz BCKIINZPUKNOPA-RDJZCZTQSA-N 1 0 411.543 2.023 20 0 HEADRO C[C@@H]1CN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)[C@@H](C)C[N@@H+]1C ZINC000768847295 1080822482 /nfs/dbraw/zinc/82/24/82/1080822482.db2.gz SAPQIJNHBRSBBJ-CABCVRRESA-N 1 0 412.515 2.412 20 0 HEADRO C[C@@H](C(=O)Nc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1)[NH+]1CCCCCC1 ZINC000746610835 1080834410 /nfs/dbraw/zinc/83/44/10/1080834410.db2.gz AOBSNZZFKPNSIJ-HNNXBMFYSA-N 1 0 421.546 2.065 20 0 HEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCNC2=O)cc1 ZINC000786812320 1080839434 /nfs/dbraw/zinc/83/94/34/1080839434.db2.gz UCDYGQMDBSVRJY-HNAYVOBHSA-N 1 0 424.501 2.191 20 0 HEADRO CC(C)(C)c1ccc(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000786814203 1080840025 /nfs/dbraw/zinc/84/00/25/1080840025.db2.gz DCVUABYJTJKBSI-HXUWFJFHSA-N 1 0 401.551 2.360 20 0 HEADRO O=C(COC(=O)CC[N@@H+]1CCc2ccccc2C1)NCCOc1cccc(F)c1 ZINC000786822030 1080845422 /nfs/dbraw/zinc/84/54/22/1080845422.db2.gz SASXNZPLNGUQRP-UHFFFAOYSA-N 1 0 400.450 2.312 20 0 HEADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000786875084 1080864898 /nfs/dbraw/zinc/86/48/98/1080864898.db2.gz CGOVEXOHDYWUNG-UHFFFAOYSA-N 1 0 409.577 2.468 20 0 HEADRO O=C(Nc1ccc(-n2nccn2)cc1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000768970133 1080869795 /nfs/dbraw/zinc/86/97/95/1080869795.db2.gz VSRMDLBEIJYZHZ-NQIIRXRSSA-N 1 0 406.490 2.272 20 0 HEADRO C[C@H](NC(=O)CNC(=O)COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000786890324 1080870478 /nfs/dbraw/zinc/87/04/78/1080870478.db2.gz LGWHFWHPAVBQEA-HNAYVOBHSA-N 1 0 419.497 2.069 20 0 HEADRO O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000768975062 1080871268 /nfs/dbraw/zinc/87/12/68/1080871268.db2.gz ZRTINFILYRVGTF-RTWAWAEBSA-N 1 0 410.518 2.396 20 0 HEADRO O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000768975063 1080871301 /nfs/dbraw/zinc/87/13/01/1080871301.db2.gz ZRTINFILYRVGTF-SFTDATJTSA-N 1 0 410.518 2.396 20 0 HEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CCN(C)C(=O)OC(C)(C)C ZINC000768982007 1080874041 /nfs/dbraw/zinc/87/40/41/1080874041.db2.gz GMJGIFJEHSLGNA-UHFFFAOYSA-N 1 0 422.526 2.021 20 0 HEADRO Cc1c(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cccc1N1CCOC1=O ZINC000768988700 1080876655 /nfs/dbraw/zinc/87/66/55/1080876655.db2.gz MZSDOBMENVICPN-RBUKOAKNSA-N 1 0 402.495 2.451 20 0 HEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000768955381 1080881821 /nfs/dbraw/zinc/88/18/21/1080881821.db2.gz CIIHIZHKDYXXFQ-KDOFPFPSSA-N 1 0 411.955 2.436 20 0 HEADRO Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000786882265 1080885275 /nfs/dbraw/zinc/88/52/75/1080885275.db2.gz GTZMUEGNBHAUGO-LJQANCHMSA-N 1 0 401.507 2.342 20 0 HEADRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN(Cc2ccsc2)CC1 ZINC000786882328 1080885296 /nfs/dbraw/zinc/88/52/96/1080885296.db2.gz NWOAMLCPLJTNIA-IBGZPJMESA-N 1 0 405.564 2.343 20 0 HEADRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000786884213 1080885653 /nfs/dbraw/zinc/88/56/53/1080885653.db2.gz VHPTUYSAKWHBIP-KRWDZBQOSA-N 1 0 418.885 2.204 20 0 HEADRO O=C(Nc1ccn(Cc2ccccn2)n1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000768996529 1080894866 /nfs/dbraw/zinc/89/48/66/1080894866.db2.gz RQNJCIDCDVUYNC-TZIWHRDSSA-N 1 0 420.517 2.331 20 0 HEADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(OC(=O)C3CC3)c(OC)c2)C1 ZINC000769005680 1080896988 /nfs/dbraw/zinc/89/69/88/1080896988.db2.gz NBDPSCHBSIOELC-MAUKXSAKSA-N 1 0 404.507 2.374 20 0 HEADRO O=C(NCc1nnc(-c2ccccc2)[nH]1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769121771 1080943069 /nfs/dbraw/zinc/94/30/69/1080943069.db2.gz TWWSMQPQSZNUMK-UXHICEINSA-N 1 0 420.517 2.154 20 0 HEADRO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769126230 1080945942 /nfs/dbraw/zinc/94/59/42/1080945942.db2.gz WATWLWAWZPZSKW-KRWDZBQOSA-N 1 0 407.559 2.302 20 0 HEADRO C[NH+]1CCN(c2cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)ccn2)CC1 ZINC000769127423 1080946476 /nfs/dbraw/zinc/94/64/76/1080946476.db2.gz LQUPDSSFAMSDNG-GOSISDBHSA-N 1 0 419.570 2.389 20 0 HEADRO Cc1noc(C)c1CCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769138896 1080955373 /nfs/dbraw/zinc/95/53/73/1080955373.db2.gz KZMZEQHVQAUDME-TZIWHRDSSA-N 1 0 400.523 2.406 20 0 HEADRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000769139553 1080955726 /nfs/dbraw/zinc/95/57/26/1080955726.db2.gz JLDHJVYLDGEZRU-UHFFFAOYSA-N 1 0 409.527 2.311 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000769145334 1080959857 /nfs/dbraw/zinc/95/98/57/1080959857.db2.gz NJOAHUNJLIBEFR-JKSUJKDBSA-N 1 0 400.976 2.265 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000769145327 1080959895 /nfs/dbraw/zinc/95/98/95/1080959895.db2.gz NJOAHUNJLIBEFR-HOTGVXAUSA-N 1 0 400.976 2.265 20 0 HEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769147504 1080960841 /nfs/dbraw/zinc/96/08/41/1080960841.db2.gz OYFMHQKGQHMNOZ-FGTMMUONSA-N 1 0 410.603 2.458 20 0 HEADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000769190896 1080964069 /nfs/dbraw/zinc/96/40/69/1080964069.db2.gz SOKMFLILSSYYNR-HKUYNNGSSA-N 1 0 403.523 2.358 20 0 HEADRO CC(C)(C)OC(=O)N1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000769152590 1080971035 /nfs/dbraw/zinc/97/10/35/1080971035.db2.gz FJROYATZMMXZLQ-ZWKOTPCHSA-N 1 0 410.559 2.017 20 0 HEADRO CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)NC(=O)OC(C)(C)C ZINC000769153579 1080972344 /nfs/dbraw/zinc/97/23/44/1080972344.db2.gz ISTAFPQVXMZQOE-BZSNNMDCSA-N 1 0 412.575 2.213 20 0 HEADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)o1 ZINC000769153589 1080972388 /nfs/dbraw/zinc/97/23/88/1080972388.db2.gz XPQXSYPGMBWBEX-UHFFFAOYSA-N 1 0 422.570 2.467 20 0 HEADRO CC(C)(C)OC(=O)NC1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000769153466 1080973002 /nfs/dbraw/zinc/97/30/02/1080973002.db2.gz HLMBXHAHLVFESH-MSOLQXFVSA-N 1 0 410.559 2.063 20 0 HEADRO CCCCCCN(CCN1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000769155039 1080974229 /nfs/dbraw/zinc/97/42/29/1080974229.db2.gz MLVNREOZKPILPE-VXKWHMMOSA-N 1 0 424.630 2.288 20 0 HEADRO CC(C)(C)OC(=O)NCC1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000769157503 1080975882 /nfs/dbraw/zinc/97/58/82/1080975882.db2.gz VVJXGDUASIKQEG-OALUTQOASA-N 1 0 424.586 2.311 20 0 HEADRO CN(Cc1cnn(-c2ccccc2)n1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000769161113 1080979615 /nfs/dbraw/zinc/97/96/15/1080979615.db2.gz LLQDWBCAOMPVGL-NHCUHLMSSA-N 1 0 412.538 2.177 20 0 HEADRO CC(C)OC(=O)N1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000769164947 1080981419 /nfs/dbraw/zinc/98/14/19/1080981419.db2.gz WMTRZYCCWNDULC-OALUTQOASA-N 1 0 410.559 2.063 20 0 HEADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C12CCCCC2 ZINC001170002476 1081000271 /nfs/dbraw/zinc/00/02/71/1081000271.db2.gz MVTXGGALLDUEHK-RTBURBONSA-N 1 0 408.564 2.424 20 0 HEADRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2cc(-n3cnnn3)ccc2F)C12CCCCC2 ZINC001170002529 1081000714 /nfs/dbraw/zinc/00/07/14/1081000714.db2.gz NPJCYKVDIYNPKX-ROUUACIJSA-N 1 0 402.474 2.457 20 0 HEADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000769204875 1081001207 /nfs/dbraw/zinc/00/12/07/1081001207.db2.gz ISILZCZHJWNYHN-FQEVSTJZSA-N 1 0 416.566 2.275 20 0 HEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000787112203 1081005458 /nfs/dbraw/zinc/00/54/58/1081005458.db2.gz CIXXFWLANDVDRD-SFTDATJTSA-N 1 0 414.550 2.285 20 0 HEADRO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787112167 1081005596 /nfs/dbraw/zinc/00/55/96/1081005596.db2.gz CAMXXXDBXSJGNZ-WMLDXEAASA-N 1 0 409.477 2.244 20 0 HEADRO C[C@@]1(c2ccccc2)CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787116464 1081006914 /nfs/dbraw/zinc/00/69/14/1081006914.db2.gz OCHHRUJHKDMALY-XUZZJYLKSA-N 1 0 413.562 2.326 20 0 HEADRO O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787121223 1081009659 /nfs/dbraw/zinc/00/96/59/1081009659.db2.gz FAQFGCWVAFTMEA-FCEUIQTBSA-N 1 0 413.562 2.274 20 0 HEADRO CC1(C)CC([N@@H+]2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)CC(C)(C)N1O ZINC001170001893 1081011028 /nfs/dbraw/zinc/01/10/28/1081011028.db2.gz MCPDHXAFIVIZLW-PGRDOPGGSA-N 1 0 409.571 2.127 20 0 HEADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000769240981 1081012795 /nfs/dbraw/zinc/01/27/95/1081012795.db2.gz OMERLCJIHNHCCD-SFHVURJKSA-N 1 0 421.567 2.206 20 0 HEADRO CC(C)N(Cc1ccccc1F)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787101835 1081013315 /nfs/dbraw/zinc/01/33/15/1081013315.db2.gz FOODNPCSBHNQPV-IBGZPJMESA-N 1 0 405.514 2.322 20 0 HEADRO Cc1ccc(SC[C@H](C)NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000787103981 1081015515 /nfs/dbraw/zinc/01/55/15/1081015515.db2.gz DWVNHNPSOUCXCG-PKOBYXMFSA-N 1 0 419.591 2.351 20 0 HEADRO C[C@H]1OCc2c1nc(Cl)nc2N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170067790 1081016966 /nfs/dbraw/zinc/01/69/66/1081016966.db2.gz WXFOKUVCEYAKCR-LLVKDONJSA-N 1 0 419.894 2.423 20 0 HEADRO CCOc1ccccc1[C@H](CC)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787106511 1081017753 /nfs/dbraw/zinc/01/77/53/1081017753.db2.gz KDTWANHYZORAQW-ICSRJNTNSA-N 1 0 417.550 2.412 20 0 HEADRO Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000769258257 1081019347 /nfs/dbraw/zinc/01/93/47/1081019347.db2.gz ABAVZPJZBKLVSC-INIZCTEOSA-N 1 0 401.486 2.308 20 0 HEADRO O=C(NCC1(Cc2ccc(F)cc2)CC1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787131465 1081019737 /nfs/dbraw/zinc/01/97/37/1081019737.db2.gz VBQZZVDDHUPIPZ-HXUWFJFHSA-N 1 0 417.525 2.024 20 0 HEADRO COc1ccc([C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000787131258 1081019796 /nfs/dbraw/zinc/01/97/96/1081019796.db2.gz SUVIRHDOVSYVRH-SFTDATJTSA-N 1 0 415.534 2.118 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000787136025 1081022659 /nfs/dbraw/zinc/02/26/59/1081022659.db2.gz GEXJMHLKRKBIBU-LJQANCHMSA-N 1 0 421.488 2.215 20 0 HEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769272322 1081025735 /nfs/dbraw/zinc/02/57/35/1081025735.db2.gz GHUYVSDVDRCMGO-UHFFFAOYSA-N 1 0 408.543 2.159 20 0 HEADRO COc1ccc([C@@H](C)CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000787142599 1081026000 /nfs/dbraw/zinc/02/60/00/1081026000.db2.gz ZXOMJFSXKWVTNQ-UWJYYQICSA-N 1 0 417.550 2.065 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC1 ZINC000787143843 1081026743 /nfs/dbraw/zinc/02/67/43/1081026743.db2.gz NFNWUJYLYKZAFO-RUZDIDTESA-N 1 0 423.557 2.490 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC1 ZINC000787143844 1081026788 /nfs/dbraw/zinc/02/67/88/1081026788.db2.gz NFNWUJYLYKZAFO-VWLOTQADSA-N 1 0 423.557 2.490 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3nccn3C)C2)CC1 ZINC000787143460 1081027223 /nfs/dbraw/zinc/02/72/23/1081027223.db2.gz LDAYVQAIVDZPRI-FQEVSTJZSA-N 1 0 423.561 2.215 20 0 HEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ncc(Cl)n2C)CC1 ZINC000787145763 1081027958 /nfs/dbraw/zinc/02/79/58/1081027958.db2.gz ZOJZRYNETVMWAH-UHFFFAOYSA-N 1 0 417.941 2.121 20 0 HEADRO CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000769277980 1081028805 /nfs/dbraw/zinc/02/88/05/1081028805.db2.gz XDWXVVXGQDHMDK-MRXNPFEDSA-N 1 0 412.527 2.336 20 0 HEADRO CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787123151 1081034176 /nfs/dbraw/zinc/03/41/76/1081034176.db2.gz KXGFKQYGEQFNBY-LEWJYISDSA-N 1 0 401.551 2.274 20 0 HEADRO CON(CC1CCOCC1)C(=O)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000787160803 1081038217 /nfs/dbraw/zinc/03/82/17/1081038217.db2.gz YQBXVBFNVHNGLU-GOSISDBHSA-N 1 0 417.550 2.351 20 0 HEADRO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000769312351 1081039469 /nfs/dbraw/zinc/03/94/69/1081039469.db2.gz DXQGGCJKGRBXPC-GVDBMIGSSA-N 1 0 413.584 2.181 20 0 HEADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)CCC2 ZINC000787174477 1081044704 /nfs/dbraw/zinc/04/47/04/1081044704.db2.gz HNALFCUEOAGWJX-GOSISDBHSA-N 1 0 416.547 2.202 20 0 HEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(OCc3ccccn3)c2)C1 ZINC000787180797 1081047394 /nfs/dbraw/zinc/04/73/94/1081047394.db2.gz XDRAVLIJXDHFRP-UYAOXDASSA-N 1 0 410.518 2.266 20 0 HEADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000787157357 1081049134 /nfs/dbraw/zinc/04/91/34/1081049134.db2.gz KWMAMZKMVFWCMF-SFNQZPIRSA-N 1 0 421.607 2.198 20 0 HEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)CC1 ZINC000787221536 1081053461 /nfs/dbraw/zinc/05/34/61/1081053461.db2.gz PZLSHVZUSPNFJO-MSOLQXFVSA-N 1 0 424.511 2.479 20 0 HEADRO C[C@@H](CNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000769367121 1081054615 /nfs/dbraw/zinc/05/46/15/1081054615.db2.gz BBOXIKYHGKZVRD-INIZCTEOSA-N 1 0 411.493 2.482 20 0 HEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000787189285 1081055745 /nfs/dbraw/zinc/05/57/45/1081055745.db2.gz ONQZGUKLZUZWGG-BPQIPLTHSA-N 1 0 423.355 2.190 20 0 HEADRO O=C(NC[C@H]1COC2(CCCCCC2)O1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000787194283 1081058157 /nfs/dbraw/zinc/05/81/57/1081058157.db2.gz YNWINGZEZUVWLX-IBGZPJMESA-N 1 0 407.555 2.092 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000769383420 1081059058 /nfs/dbraw/zinc/05/90/58/1081059058.db2.gz IALHUJNWHNRLOR-SFHVURJKSA-N 1 0 420.529 2.463 20 0 HEADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000769398280 1081062593 /nfs/dbraw/zinc/06/25/93/1081062593.db2.gz POQVRSSARUDKTP-UHFFFAOYSA-N 1 0 409.477 2.332 20 0 HEADRO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769423225 1081068232 /nfs/dbraw/zinc/06/82/32/1081068232.db2.gz FIRRWXVBUGZQSZ-QAPCUYQASA-N 1 0 407.559 2.300 20 0 HEADRO COC(=O)COc1c(C)cc(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC000769424767 1081069435 /nfs/dbraw/zinc/06/94/35/1081069435.db2.gz UYYZPHSHXLQCNH-OAHLLOKOSA-N 1 0 402.413 2.450 20 0 HEADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000769392993 1081075706 /nfs/dbraw/zinc/07/57/06/1081075706.db2.gz VAVRQEVIXMMMBO-ZDUSSCGKSA-N 1 0 415.478 2.147 20 0 HEADRO Cn1cc(CN2CC[NH+](CCCCO)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000769394682 1081076483 /nfs/dbraw/zinc/07/64/83/1081076483.db2.gz BJFDGMIJYAUESQ-UHFFFAOYSA-N 1 0 400.523 2.139 20 0 HEADRO Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)n2)c1 ZINC000787224046 1081077808 /nfs/dbraw/zinc/07/78/08/1081077808.db2.gz CBSGBFBARLECAC-NVXWUHKLSA-N 1 0 413.526 2.179 20 0 HEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000787225346 1081078318 /nfs/dbraw/zinc/07/83/18/1081078318.db2.gz IGOPMMRBRBXYHG-MSOLQXFVSA-N 1 0 406.502 2.417 20 0 HEADRO CC[C@@H]1C[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769483136 1081078926 /nfs/dbraw/zinc/07/89/26/1081078926.db2.gz GNHQRRGZVSGSEZ-RTBURBONSA-N 1 0 418.586 2.354 20 0 HEADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000769490097 1081080920 /nfs/dbraw/zinc/08/09/20/1081080920.db2.gz FPRVGQUWUUVNNU-NUJGCVRESA-N 1 0 408.543 2.257 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1OC(C)C ZINC000787233220 1081082059 /nfs/dbraw/zinc/08/20/59/1081082059.db2.gz VIDAULLOVMGRRL-IRXDYDNUSA-N 1 0 405.539 2.335 20 0 HEADRO CCOC(=O)C[C@@H]1C[C@H](OC)CN1CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O ZINC000787236757 1081083584 /nfs/dbraw/zinc/08/35/84/1081083584.db2.gz RRCUTFPFNHMUMC-KKUMJFAQSA-N 1 0 414.424 2.420 20 0 HEADRO COc1cc(CNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1OC(C)C ZINC000787236092 1081083944 /nfs/dbraw/zinc/08/39/44/1081083944.db2.gz XQQNTLHDKHNGPG-LJQANCHMSA-N 1 0 405.539 2.335 20 0 HEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000769472135 1081090554 /nfs/dbraw/zinc/09/05/54/1081090554.db2.gz FEOSBWNECSRKQO-HOTGVXAUSA-N 1 0 400.976 2.122 20 0 HEADRO Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000787290858 1081094764 /nfs/dbraw/zinc/09/47/64/1081094764.db2.gz NUHOGVPEWLRSSK-HXUWFJFHSA-N 1 0 409.534 2.038 20 0 HEADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000769493952 1081095645 /nfs/dbraw/zinc/09/56/45/1081095645.db2.gz CADIVEDOJLFDIF-WBVHZDCISA-N 1 0 402.499 2.166 20 0 HEADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000787292571 1081095744 /nfs/dbraw/zinc/09/57/44/1081095744.db2.gz SVROIZOURNPZPD-OAQYLSRUSA-N 1 0 407.514 2.409 20 0 HEADRO CNc1nc(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cs1 ZINC000769497129 1081097053 /nfs/dbraw/zinc/09/70/53/1081097053.db2.gz SQPLMUMRXQKMMO-MRXNPFEDSA-N 1 0 400.552 2.254 20 0 HEADRO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000787269272 1081101905 /nfs/dbraw/zinc/10/19/05/1081101905.db2.gz CMQNFTGJHRPOCR-DLBZAZTESA-N 1 0 423.439 2.247 20 0 HEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000769516350 1081104834 /nfs/dbraw/zinc/10/48/34/1081104834.db2.gz SVPYPGPJRKFICE-IAGOWNOFSA-N 1 0 415.003 2.368 20 0 HEADRO COCCC(=O)N1CCC([NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000769537048 1081113714 /nfs/dbraw/zinc/11/37/14/1081113714.db2.gz YWZOGCAEBDMLPU-FUHWJXTLSA-N 1 0 413.559 2.018 20 0 HEADRO CC[N@H+](CCO)CCNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000769635300 1081152525 /nfs/dbraw/zinc/15/25/25/1081152525.db2.gz HXMBMJGYFSOXCX-SFQUDFHCSA-N 1 0 417.531 2.143 20 0 HEADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000057819999 568861795 /nfs/dbraw/zinc/86/17/95/568861795.db2.gz TXNQRZRBOBYHFB-YLJYHZDGSA-N 1 0 410.584 2.083 20 0 HEADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164398718 718833516 /nfs/dbraw/zinc/83/35/16/718833516.db2.gz KBCWWVFJHFTLCS-SNVBAGLBSA-N 1 0 404.248 2.455 20 0 HEADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001164401771 718853981 /nfs/dbraw/zinc/85/39/81/718853981.db2.gz CXWSLQNYJOECHR-AOMKIAJQSA-N 1 0 409.559 2.438 20 0 HEADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CCOCC12C[NH2+]C2 ZINC001164402100 718860629 /nfs/dbraw/zinc/86/06/29/718860629.db2.gz ISEWLZDDIDTVOI-UHFFFAOYSA-N 1 0 412.824 2.312 20 0 HEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(-c2ccncc2)n1 ZINC001164618192 719016719 /nfs/dbraw/zinc/01/67/19/719016719.db2.gz QRYFSVLDEIPKBS-HZSPNIEDSA-N 1 0 423.851 2.467 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3ncn4C)CC2)CC1 ZINC001164614742 719024737 /nfs/dbraw/zinc/02/47/37/719024737.db2.gz XPHKGMQBJLUNIP-UHFFFAOYSA-N 1 0 406.918 2.261 20 0 HEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3[C@H](C)CC(=O)N4)CC2)CC1 ZINC001164616446 719027538 /nfs/dbraw/zinc/02/75/38/719027538.db2.gz FFBMPGZRMVERTP-CQSZACIVSA-N 1 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/nfs/dbraw/zinc/37/36/98/720373698.db2.gz UIFKNNLODLLGNJ-JKSUJKDBSA-N 1 0 401.898 2.484 20 0 HEADRO O=S(=O)(c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1)N1CCCC1 ZINC001164731530 720438648 /nfs/dbraw/zinc/43/86/48/720438648.db2.gz LMZNQQNUXMFICS-WOJBJXKFSA-N 1 0 413.547 2.114 20 0 HEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164730099 720438810 /nfs/dbraw/zinc/43/88/10/720438810.db2.gz HUVABADTJQMDKP-PMACEKPBSA-N 1 0 415.563 2.360 20 0 HEADRO COC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834627 720510148 /nfs/dbraw/zinc/51/01/48/720510148.db2.gz GUMKPBJKDFQZJM-YQQAZPJKSA-N 1 0 418.929 2.491 20 0 HEADRO COC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836044 720510565 /nfs/dbraw/zinc/51/05/65/720510565.db2.gz LWTSCNKKLPMZNX-HLLBOEOZSA-N 1 0 418.929 2.491 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C(N)=O)cc(Cl)n3)CC[C@@H]21 ZINC001164833295 720511174 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BQKZMRPTWMQKPZ-UHFFFAOYSA-N 1 0 419.913 2.385 20 0 HEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3C(C)(C)C(=O)N4)CC[C@@H]21 ZINC001164837727 720590952 /nfs/dbraw/zinc/59/09/52/720590952.db2.gz ISJMRRVGZJIIBV-IKGGRYGDSA-N 1 0 409.538 2.281 20 0 HEADRO Clc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738242 720610883 /nfs/dbraw/zinc/61/08/83/720610883.db2.gz BDBYEAVOUUDPKY-MNOVXSKESA-N 1 0 406.277 2.397 20 0 HEADRO Clc1cc(-c2ccncc2)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164738142 720635588 /nfs/dbraw/zinc/63/55/88/720635588.db2.gz ALACVPUNYCEAFG-CVEARBPZSA-N 1 0 409.881 2.324 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ncc1C(N)=O)CC2 ZINC001164841179 720674841 /nfs/dbraw/zinc/67/48/41/720674841.db2.gz POJRWXVBWNEIJB-INIZCTEOSA-N 1 0 415.925 2.489 20 0 HEADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cnc1C(N)=O)CC2 ZINC001164844945 720680500 /nfs/dbraw/zinc/68/05/00/720680500.db2.gz WUVLBAGLKVTWIZ-INIZCTEOSA-N 1 0 415.925 2.489 20 0 HEADRO CCNC(=O)c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164837662 720718925 /nfs/dbraw/zinc/71/89/25/720718925.db2.gz FYIMXFMOLYGZLX-LJQANCHMSA-N 1 0 409.534 2.486 20 0 HEADRO FC(F)(COc1cccc(Cl)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745789 720722855 /nfs/dbraw/zinc/72/28/55/720722855.db2.gz VRWLWCPSRMWIFK-KGLIPLIRSA-N 1 0 411.840 2.334 20 0 HEADRO CC(C)c1noc(-c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)n1 ZINC001164750009 720786949 /nfs/dbraw/zinc/78/69/49/720786949.db2.gz UZUZEOWPBFNSNM-DLBZAZTESA-N 1 0 407.478 2.387 20 0 HEADRO Cc1nc(-c2ccncc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C ZINC001164748292 720787218 /nfs/dbraw/zinc/78/72/18/720787218.db2.gz QJCOLTNGEFRUKB-OALUTQOASA-N 1 0 403.490 2.287 20 0 HEADRO Cc1cc(OCc2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164744054 720796378 /nfs/dbraw/zinc/79/63/78/720796378.db2.gz HFJPVTIRUYDZQX-PMACEKPBSA-N 1 0 418.501 2.496 20 0 HEADRO 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CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2c1ccn2COC(=O)C(C)(C)C ZINC001164921925 721864272 /nfs/dbraw/zinc/86/42/72/721864272.db2.gz DVNAZFJOUTYVFD-ROUUACIJSA-N 1 0 414.554 2.193 20 0 HEADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164922342 721873260 /nfs/dbraw/zinc/87/32/60/721873260.db2.gz FUSWQCPGFLBPAL-QZTJIDSGSA-N 1 0 417.554 2.067 20 0 HEADRO COc1ccc(-c2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nn2)c(OC)c1OC ZINC001165043290 721923145 /nfs/dbraw/zinc/92/31/45/721923145.db2.gz IGEGGYVRYKHDRJ-INIZCTEOSA-N 1 0 414.506 2.470 20 0 HEADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049133 721973568 /nfs/dbraw/zinc/97/35/68/721973568.db2.gz NSIHMZAIGISWDG-SFHVURJKSA-N 1 0 417.554 2.335 20 0 HEADRO CN1CCc2nc(Cl)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)c2C1 ZINC001164961175 722051117 /nfs/dbraw/zinc/05/11/17/722051117.db2.gz UHGBDTYHNHGOEI-BJZITVGISA-N 1 0 414.941 2.418 20 0 HEADRO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164965921 722067357 /nfs/dbraw/zinc/06/73/57/722067357.db2.gz RYRAAHUPKWHWQG-CALCHBBNSA-N 1 0 421.501 2.359 20 0 HEADRO COc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NC(C)C ZINC001164980674 722099069 /nfs/dbraw/zinc/09/90/69/722099069.db2.gz JXHDWFHVSZHZLP-ICSRJNTNSA-N 1 0 412.538 2.428 20 0 HEADRO CSc1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983701 722108182 /nfs/dbraw/zinc/10/81/82/722108182.db2.gz ZAIYWSYLLOHCEG-GJZGRUSLSA-N 1 0 406.943 2.369 20 0 HEADRO CCOC(=O)c1c(C)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973896 722120535 /nfs/dbraw/zinc/12/05/35/722120535.db2.gz HWHBYPBHTPTAHQ-OALUTQOASA-N 1 0 411.506 2.084 20 0 HEADRO Cc1cn(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cn1 ZINC001164978948 722131207 /nfs/dbraw/zinc/13/12/07/722131207.db2.gz LEBDZPNSKSFLRG-VQTJNVASSA-N 1 0 405.506 2.093 20 0 HEADRO C[NH+](C)Cc1ccnc(N2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C2)c1 ZINC001164989141 722187269 /nfs/dbraw/zinc/18/72/69/722187269.db2.gz HXJJWSYDFPKTEY-UNMCSNQZSA-N 1 0 414.575 2.325 20 0 HEADRO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3cccc(OCC[NH+]4CCCC4)n3)[C@@H]2C1 ZINC001164999099 722215361 /nfs/dbraw/zinc/21/53/61/722215361.db2.gz ZLWWUSWIOJVTPB-IPMKNSEASA-N 1 0 402.539 2.065 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3[nH]cc(F)c31)CCC2 ZINC001165001420 722250495 /nfs/dbraw/zinc/25/04/95/722250495.db2.gz QEWAQBZHTSTSNA-UHFFFAOYSA-N 1 0 407.881 2.435 20 0 HEADRO COC(=O)c1cc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165000584 722250971 /nfs/dbraw/zinc/25/09/71/722250971.db2.gz SWCBTTOGCAXQDK-UHFFFAOYSA-N 1 0 407.902 2.207 20 0 HEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CCC2 ZINC001165004147 722258247 /nfs/dbraw/zinc/25/82/47/722258247.db2.gz NUZCOMZOXIZOMX-UHFFFAOYSA-N 1 0 415.872 2.203 20 0 HEADRO