smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cn1cnc2ccccc2c1=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000004562768 132278517 /nfs/dbraw/zinc/27/85/17/132278517.db2.gz WKXYFBSMXRRVIY-UHFFFAOYSA-N 1 0 420.473 0.647 20 0 HCADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c(=O)n2C ZINC000009931272 1080855451 /nfs/dbraw/zinc/85/54/51/1080855451.db2.gz VGAUFXYJRJOIFI-UHFFFAOYSA-N 1 0 424.505 0.736 20 0 HCADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)c(=O)n2C ZINC000009931356 1080855347 /nfs/dbraw/zinc/85/53/47/1080855347.db2.gz RSRTVDVJWXJIAE-UHFFFAOYSA-N 1 0 424.505 0.736 20 0 HCADRO Cn1c2ncn(CCC(=O)N3CCC[N@H+](Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000010163961 1079450707 /nfs/dbraw/zinc/45/07/07/1079450707.db2.gz ROYBXXWTAVNGMT-UHFFFAOYSA-N 1 0 424.505 0.558 20 0 HCADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000011505944 1079459209 /nfs/dbraw/zinc/45/92/09/1079459209.db2.gz MEWQGPRDZBDGAG-UHFFFAOYSA-N 1 0 423.564 0.662 20 0 HCADRO Cn1nc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc2c1=O ZINC000011533525 1079460888 /nfs/dbraw/zinc/46/08/88/1079460888.db2.gz WGFJEIAXJFCOKF-UHFFFAOYSA-N 1 0 406.490 0.939 20 0 HCADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000011533621 1079460855 /nfs/dbraw/zinc/46/08/55/1079460855.db2.gz UQIHNTKBDHTHCZ-UHFFFAOYSA-N 1 0 423.525 0.719 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)c3ccc4c(c3)OCO4)cn2)CC1 ZINC000011533664 1079460870 /nfs/dbraw/zinc/46/08/70/1079460870.db2.gz POPNNWSKPOYHOC-UHFFFAOYSA-N 1 0 411.462 0.608 20 0 HCADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000011556880 1079461578 /nfs/dbraw/zinc/46/15/78/1079461578.db2.gz ZIKXLOQZHPAZIV-UHFFFAOYSA-N 1 0 419.507 0.419 20 0 HCADRO CC[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC000012284222 1081093853 /nfs/dbraw/zinc/09/38/53/1081093853.db2.gz UPCHOASCNVXPGQ-UHFFFAOYSA-N 1 0 413.544 0.198 20 0 HCADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000012332786 1079463349 /nfs/dbraw/zinc/46/33/49/1079463349.db2.gz QBWXKLRMKRIWFK-UHFFFAOYSA-N 1 0 421.586 0.380 20 0 HCADRO CNC(=O)C1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000012334615 1079463737 /nfs/dbraw/zinc/46/37/37/1079463737.db2.gz CMJXCGHHCOJKBW-UHFFFAOYSA-N 1 0 411.524 0.544 20 0 HCADRO COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012614116 1080313682 /nfs/dbraw/zinc/31/36/82/1080313682.db2.gz UJVWSNJIPSLDKZ-UHFFFAOYSA-N 1 0 405.480 0.742 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)C1 ZINC000014153080 1079465105 /nfs/dbraw/zinc/46/51/05/1079465105.db2.gz QEGPUEYOKQMLOU-LBPRGKRZSA-N 1 0 418.416 0.439 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)C1 ZINC000014153082 1079465021 /nfs/dbraw/zinc/46/50/21/1079465021.db2.gz QEGPUEYOKQMLOU-GFCCVEGCSA-N 1 0 418.416 0.439 20 0 HCADRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000014915478 1079466784 /nfs/dbraw/zinc/46/67/84/1079466784.db2.gz SJQJKECQYPQNDE-GOEBONIOSA-N 1 0 411.524 0.656 20 0 HCADRO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000014915479 1079466665 /nfs/dbraw/zinc/46/66/65/1079466665.db2.gz SJQJKECQYPQNDE-HOCLYGCPSA-N 1 0 411.524 0.656 20 0 HCADRO Cn1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(=O)n(C)c1=O ZINC000015357240 1079470183 /nfs/dbraw/zinc/47/01/83/1079470183.db2.gz CFXIBBXOYZAHRK-UHFFFAOYSA-N 1 0 406.508 0.548 20 0 HCADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000015365704 1079470712 /nfs/dbraw/zinc/47/07/12/1079470712.db2.gz LBNBGEYHQYATTK-GOEBONIOSA-N 1 0 404.492 0.389 20 0 HCADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000015365705 1079470750 /nfs/dbraw/zinc/47/07/50/1079470750.db2.gz LBNBGEYHQYATTK-HOCLYGCPSA-N 1 0 404.492 0.389 20 0 HCADRO Cn1c2ncn(CCC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)c2c(=O)n(C)c1=O ZINC000016259423 1079476142 /nfs/dbraw/zinc/47/61/42/1079476142.db2.gz PGVHQRACYNYTJF-QGZVFWFLSA-N 1 0 424.505 0.777 20 0 HCADRO Cn1c2ncn(CCC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)c2c(=O)n(C)c1=O ZINC000016259424 1079476157 /nfs/dbraw/zinc/47/61/57/1079476157.db2.gz PGVHQRACYNYTJF-KRWDZBQOSA-N 1 0 424.505 0.777 20 0 HCADRO Cn1c2ncn(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000016261392 1079476458 /nfs/dbraw/zinc/47/64/58/1079476458.db2.gz HGDRNVISUMLSON-MRXNPFEDSA-N 1 0 410.478 0.215 20 0 HCADRO Cn1c2ncn(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000016261393 1079476751 /nfs/dbraw/zinc/47/67/51/1079476751.db2.gz HGDRNVISUMLSON-INIZCTEOSA-N 1 0 410.478 0.215 20 0 HCADRO CS(=O)(=O)N1CCN(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000016438435 1079477989 /nfs/dbraw/zinc/47/79/89/1079477989.db2.gz CILGDIWLGSCOLV-UHFFFAOYSA-N 1 0 400.589 0.869 20 0 HCADRO Cn1c2ncn(CC(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)c2c(=O)n(C)c1=O ZINC000016506545 1079479091 /nfs/dbraw/zinc/47/90/91/1079479091.db2.gz YBUHESGVWJDBPE-UHFFFAOYSA-N 1 0 424.505 0.736 20 0 HCADRO CC[NH+](CC)Cc1ccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000016779968 1079482254 /nfs/dbraw/zinc/48/22/54/1079482254.db2.gz CZJCEYSFOWYALG-UHFFFAOYSA-N 1 0 412.494 0.592 20 0 HCADRO CC[NH+](CC)Cc1ccc(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000016780628 1079482128 /nfs/dbraw/zinc/48/21/28/1079482128.db2.gz SLUMADKGPSHEPE-UHFFFAOYSA-N 1 0 412.494 0.592 20 0 HCADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000016783936 1079482212 /nfs/dbraw/zinc/48/22/12/1079482212.db2.gz DQSDLZJDZPAIII-UHFFFAOYSA-N 1 0 412.494 0.592 20 0 HCADRO CC[NH+](CC)CC(=O)N(CCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000017283511 1079484350 /nfs/dbraw/zinc/48/43/50/1079484350.db2.gz LKSNSXCDTGIBOO-UHFFFAOYSA-N 1 0 403.483 0.488 20 0 HCADRO Cn1c2ncn(CCC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c2c(=O)n(C)c1=O ZINC000017907564 1079486535 /nfs/dbraw/zinc/48/65/35/1079486535.db2.gz OSSLACSUPFXOFX-CQSZACIVSA-N 1 0 414.466 0.370 20 0 HCADRO Cn1c2ncn(CCC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)c2c(=O)n(C)c1=O ZINC000017907566 1079486699 /nfs/dbraw/zinc/48/66/99/1079486699.db2.gz OSSLACSUPFXOFX-AWEZNQCLSA-N 1 0 414.466 0.370 20 0 HCADRO Cn1c2ncn(CCC(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000018015926 1079487429 /nfs/dbraw/zinc/48/74/29/1079487429.db2.gz BALKTXWMINBEIK-MRXNPFEDSA-N 1 0 412.494 0.113 20 0 HCADRO Cn1c2ncn(CCC(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000018015927 1079487159 /nfs/dbraw/zinc/48/71/59/1079487159.db2.gz BALKTXWMINBEIK-INIZCTEOSA-N 1 0 412.494 0.113 20 0 HCADRO Cn1c2ncn(CCC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000018016912 1079487184 /nfs/dbraw/zinc/48/71/84/1079487184.db2.gz JHLMRJRZTYOYSF-HNNXBMFYSA-N 1 0 416.457 0.382 20 0 HCADRO Cn1c2ncn(CCC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000018016913 1079487342 /nfs/dbraw/zinc/48/73/42/1079487342.db2.gz JHLMRJRZTYOYSF-OAHLLOKOSA-N 1 0 416.457 0.382 20 0 HCADRO Cn1c2ncn(CCC(=O)NC[C@@H](c3cccs3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000018047584 1079487484 /nfs/dbraw/zinc/48/74/84/1079487484.db2.gz VXWCVCXBVASKIM-LBPRGKRZSA-N 1 0 404.496 0.304 20 0 HCADRO Cn1c2ncn(CCC(=O)NC[C@H](c3cccs3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000018047585 1079487245 /nfs/dbraw/zinc/48/72/45/1079487245.db2.gz VXWCVCXBVASKIM-GFCCVEGCSA-N 1 0 404.496 0.304 20 0 HCADRO Nc1cc(N)[nH+]c(SCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000018541192 1079490560 /nfs/dbraw/zinc/49/05/60/1079490560.db2.gz SFIJSCUGZBHDFZ-UHFFFAOYSA-N 1 0 422.536 0.407 20 0 HCADRO COc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1S(=O)(=O)N(C)C ZINC000018541292 1079490693 /nfs/dbraw/zinc/49/06/93/1079490693.db2.gz AABMTCPVYBFNIF-UHFFFAOYSA-N 1 0 412.497 0.631 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2nnnn2-c2ccc(O)cc2)C1 ZINC000018970241 1079491161 /nfs/dbraw/zinc/49/11/61/1079491161.db2.gz DMANAUJFUQEWDE-INIZCTEOSA-N 1 0 406.512 0.933 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2nnnn2-c2ccc(O)cc2)C1 ZINC000018970242 1079491254 /nfs/dbraw/zinc/49/12/54/1079491254.db2.gz DMANAUJFUQEWDE-MRXNPFEDSA-N 1 0 406.512 0.933 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000020062439 1079493092 /nfs/dbraw/zinc/49/30/92/1079493092.db2.gz ATIZVXWYSJPVEU-UHFFFAOYSA-N 1 0 411.524 0.932 20 0 HCADRO Cn1c2ncn(CCC(=O)NCC3([NH+](C)C)CCCCCC3)c2c(=O)n(C)c1=O ZINC000021200998 1079495571 /nfs/dbraw/zinc/49/55/71/1079495571.db2.gz GDBAMBNHFFHDRR-UHFFFAOYSA-N 1 0 404.515 0.595 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccco1 ZINC000021240893 1079495450 /nfs/dbraw/zinc/49/54/50/1079495450.db2.gz MSETXDADTNTCHQ-ZDUSSCGKSA-N 1 0 402.455 0.226 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccco1 ZINC000021240899 1079495461 /nfs/dbraw/zinc/49/54/61/1079495461.db2.gz MSETXDADTNTCHQ-CYBMUJFWSA-N 1 0 402.455 0.226 20 0 HCADRO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CC[NH+](C)CC1)n2C ZINC000021441811 1079497418 /nfs/dbraw/zinc/49/74/18/1079497418.db2.gz WUGASAUDGUAZIB-UHFFFAOYSA-N 1 0 407.540 0.967 20 0 HCADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000021578824 1079497980 /nfs/dbraw/zinc/49/79/80/1079497980.db2.gz FQTWNTFVQHCRGE-UHFFFAOYSA-N 1 0 415.538 0.583 20 0 HCADRO C[NH+]1CCN(c2ccc(NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)cn2)CC1 ZINC000022237950 1079500259 /nfs/dbraw/zinc/50/02/59/1079500259.db2.gz ARJHSBUQIAIACD-UHFFFAOYSA-N 1 0 423.271 0.085 20 0 HCADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NNC(=O)CNC(=O)Cc1ccccc1 ZINC000022408378 1079803818 /nfs/dbraw/zinc/80/38/18/1079803818.db2.gz UCVVTIWNGIUANC-UHFFFAOYSA-N 1 0 423.517 0.705 20 0 HCADRO CC[NH+]1CCC(NC(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)CC1 ZINC000022801770 1079503228 /nfs/dbraw/zinc/50/32/28/1079503228.db2.gz ZVCSUMQREBMJMY-UHFFFAOYSA-N 1 0 401.555 0.521 20 0 HCADRO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000022807302 1079503242 /nfs/dbraw/zinc/50/32/42/1079503242.db2.gz DZLNUCSJHGOGEN-QGZVFWFLSA-N 1 0 408.524 0.207 20 0 HCADRO COC(=O)c1sc(NC(=O)CCN2CC[NH+](CCO)CC2)c(C(=O)OC)c1C ZINC000022816291 1079503757 /nfs/dbraw/zinc/50/37/57/1079503757.db2.gz QLBKCEJKFCNXFQ-UHFFFAOYSA-N 1 0 413.496 0.568 20 0 HCADRO CCC(CC)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)[nH]c1=O)[NH+]1CCOCC1 ZINC000022899284 1079504572 /nfs/dbraw/zinc/50/45/72/1079504572.db2.gz ZCHFQXJNTCEYEH-GOSISDBHSA-N 1 0 402.495 0.943 20 0 HCADRO CCC(CC)[C@H](CNC(=O)Cn1c2ccccc2c(=O)[nH]c1=O)[NH+]1CCOCC1 ZINC000022899288 1079504497 /nfs/dbraw/zinc/50/44/97/1079504497.db2.gz ZCHFQXJNTCEYEH-SFHVURJKSA-N 1 0 402.495 0.943 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000022912971 1079504630 /nfs/dbraw/zinc/50/46/30/1079504630.db2.gz TYCAVYNCCUYRGX-UHFFFAOYSA-N 1 0 418.585 0.243 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CC[NH+](CCO)CC2)c1 ZINC000022943231 1079506511 /nfs/dbraw/zinc/50/65/11/1079506511.db2.gz YRVOBBLCZBXUSM-UHFFFAOYSA-N 1 0 418.947 0.529 20 0 HCADRO CC(C)(CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+]1CCCCC1 ZINC000023108512 1079505462 /nfs/dbraw/zinc/50/54/62/1079505462.db2.gz JSNQZJKKHFAZLK-UHFFFAOYSA-N 1 0 422.551 0.801 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)CCn3nnc4ccccc4c3=O)cn2)CC1 ZINC000023318621 1079509058 /nfs/dbraw/zinc/50/90/58/1079509058.db2.gz BDXXPNKZRBXIHH-UHFFFAOYSA-N 1 0 407.478 0.645 20 0 HCADRO CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000023318713 1079509105 /nfs/dbraw/zinc/50/91/05/1079509105.db2.gz WGTHQOQFULPBDC-UHFFFAOYSA-N 1 0 403.508 0.672 20 0 HCADRO CCN(C(=O)CN1CC[NH+](CC)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023467842 1079510413 /nfs/dbraw/zinc/51/04/13/1079510413.db2.gz YPJBBXBKIXSNSK-UHFFFAOYSA-N 1 0 414.510 0.158 20 0 HCADRO CCCCN(C(=O)CN1CC[NH+](CC)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000023467848 1079510428 /nfs/dbraw/zinc/51/04/28/1079510428.db2.gz ZLCXFLAMCGMXAR-UHFFFAOYSA-N 1 0 408.547 0.545 20 0 HCADRO Cn1ncc2c1ncnc2N1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000023662639 1079511267 /nfs/dbraw/zinc/51/12/67/1079511267.db2.gz HSUQZHVHRPSVCU-UHFFFAOYSA-N 1 0 422.493 0.901 20 0 HCADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 ZINC000023694430 1079511379 /nfs/dbraw/zinc/51/13/79/1079511379.db2.gz YSFHVJFCQJNOMS-UHFFFAOYSA-N 1 0 408.568 0.774 20 0 HCADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)CC1 ZINC000023694457 1079512030 /nfs/dbraw/zinc/51/20/30/1079512030.db2.gz DMMSAXGUDKDVDJ-UHFFFAOYSA-N 1 0 408.568 0.774 20 0 HCADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000023694465 1079512004 /nfs/dbraw/zinc/51/20/04/1079512004.db2.gz JGVDMHULRVIKOT-UHFFFAOYSA-N 1 0 420.988 0.872 20 0 HCADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 ZINC000023694476 1079511982 /nfs/dbraw/zinc/51/19/82/1079511982.db2.gz MGCRJEYZVSRQRE-UHFFFAOYSA-N 1 0 422.551 0.360 20 0 HCADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000023694482 1079511923 /nfs/dbraw/zinc/51/19/23/1079511923.db2.gz XJRDKZOVMAAYBS-UHFFFAOYSA-N 1 0 410.540 0.166 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCC(C(N)=O)CC3)CC2)cc1C ZINC000023699780 1079511946 /nfs/dbraw/zinc/51/19/46/1079511946.db2.gz VCNXLBPFDPHQCG-UHFFFAOYSA-N 1 0 422.551 0.334 20 0 HCADRO NC(=O)C1CC[NH+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000023699786 1079511734 /nfs/dbraw/zinc/51/17/34/1079511734.db2.gz BRHXKRBPHRKXAL-UHFFFAOYSA-N 1 0 405.474 0.106 20 0 HCADRO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000023700651 1079511791 /nfs/dbraw/zinc/51/17/91/1079511791.db2.gz TZXSDFIJTDMRGQ-LBPRGKRZSA-N 1 0 407.945 0.691 20 0 HCADRO CC[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000023704080 1079513456 /nfs/dbraw/zinc/51/34/56/1079513456.db2.gz HXJSOJSNCUKPNE-UHFFFAOYSA-N 1 0 412.531 0.733 20 0 HCADRO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023737003 1079511875 /nfs/dbraw/zinc/51/18/75/1079511875.db2.gz PLXHTTDKCYNSQE-UHFFFAOYSA-N 1 0 400.479 0.841 20 0 HCADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000023991142 1079513297 /nfs/dbraw/zinc/51/32/97/1079513297.db2.gz YBPPKLGZNVCREW-UHFFFAOYSA-N 1 0 414.959 0.810 20 0 HCADRO CC[NH+]1CCN(CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000023991148 1079513264 /nfs/dbraw/zinc/51/32/64/1079513264.db2.gz PWDVMQXRYXIKMB-UHFFFAOYSA-N 1 0 408.547 0.401 20 0 HCADRO CC(C)(CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[NH+]1CCCCC1 ZINC000024543028 1079516855 /nfs/dbraw/zinc/51/68/55/1079516855.db2.gz XUUWANLBPGTTRT-UHFFFAOYSA-N 1 0 422.551 0.801 20 0 HCADRO CC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000024671451 1079518938 /nfs/dbraw/zinc/51/89/38/1079518938.db2.gz LIQAKKRAZYJESK-UHFFFAOYSA-N 1 0 405.520 0.987 20 0 HCADRO CC[N@H+](CCO)CC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000024671670 1079518890 /nfs/dbraw/zinc/51/88/90/1079518890.db2.gz GOGFMGAYCQVAOZ-UHFFFAOYSA-N 1 0 417.510 0.470 20 0 HCADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(OC)c1 ZINC000024711508 1079522870 /nfs/dbraw/zinc/52/28/70/1079522870.db2.gz HFNTZDPBZVKCFT-INIZCTEOSA-N 1 0 424.523 0.454 20 0 HCADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(OC)c1 ZINC000024711512 1079522990 /nfs/dbraw/zinc/52/29/90/1079522990.db2.gz HFNTZDPBZVKCFT-MRXNPFEDSA-N 1 0 424.523 0.454 20 0 HCADRO COc1cc(C)c(C[N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000024802444 1079525818 /nfs/dbraw/zinc/52/58/18/1079525818.db2.gz ACSHGECZSQAAJO-UHFFFAOYSA-N 1 0 401.467 0.891 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)Cn3cnc4c(cnn4C)c3=O)CC2)c1 ZINC000024812854 1079525645 /nfs/dbraw/zinc/52/56/45/1079525645.db2.gz PMUSPPFKIIFURY-UHFFFAOYSA-N 1 0 423.521 0.767 20 0 HCADRO Cn1c2ncn(CC[NH+]3CCC(C(=O)Nc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000024856471 1079527116 /nfs/dbraw/zinc/52/71/16/1079527116.db2.gz VKOBWTCINXILFO-UHFFFAOYSA-N 1 0 410.478 0.784 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000024856479 1079527167 /nfs/dbraw/zinc/52/71/67/1079527167.db2.gz JUPXKAZJTLIZQK-UHFFFAOYSA-N 1 0 415.538 0.570 20 0 HCADRO Cn1c2ncn(CC[NH+]3CCC(C(=O)NCc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000024858675 1079527185 /nfs/dbraw/zinc/52/71/85/1079527185.db2.gz BOQNHWVOCDYKPI-UHFFFAOYSA-N 1 0 424.505 0.462 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C2CCN(S(N)(=O)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000025264565 1078011821 /nfs/dbraw/zinc/01/18/21/1078011821.db2.gz CVPPYDUQEBFWNM-LJQANCHMSA-N 1 0 423.583 0.397 20 0 HCADRO COCCNC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000025809480 1078025754 /nfs/dbraw/zinc/02/57/54/1078025754.db2.gz IMUGVCNVMOIVIV-UHFFFAOYSA-N 1 0 406.483 0.039 20 0 HCADRO COCCNC(=O)C1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000025810756 1078025815 /nfs/dbraw/zinc/02/58/15/1078025815.db2.gz LOKHGHYYNNESOY-UHFFFAOYSA-N 1 0 424.586 0.612 20 0 HCADRO COCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000025813262 1078025852 /nfs/dbraw/zinc/02/58/52/1078025852.db2.gz FAIGKICZEBSHJW-INIZCTEOSA-N 1 0 420.510 0.427 20 0 HCADRO COCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000025813267 1078025697 /nfs/dbraw/zinc/02/56/97/1078025697.db2.gz FAIGKICZEBSHJW-MRXNPFEDSA-N 1 0 420.510 0.427 20 0 HCADRO NS(=O)(=O)N1CCC(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000025854493 1078027056 /nfs/dbraw/zinc/02/70/56/1078027056.db2.gz UPSYRTSYIXRNDJ-UHFFFAOYSA-N 1 0 423.583 0.226 20 0 HCADRO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000025855726 1078027039 /nfs/dbraw/zinc/02/70/39/1078027039.db2.gz XISOZZUFWSNKNQ-LSDHHAIUSA-N 1 0 409.508 0.731 20 0 HCADRO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000025855730 1078027137 /nfs/dbraw/zinc/02/71/37/1078027137.db2.gz XISOZZUFWSNKNQ-HUUCEWRRSA-N 1 0 409.508 0.731 20 0 HCADRO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000025855741 1078027104 /nfs/dbraw/zinc/02/71/04/1078027104.db2.gz XISOZZUFWSNKNQ-CABCVRRESA-N 1 0 409.508 0.731 20 0 HCADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3CCN(S(N)(=O)=O)CC3)cc2)C[C@@H](C)O1 ZINC000025857112 1078027350 /nfs/dbraw/zinc/02/73/50/1078027350.db2.gz DHQQULSJGDTXRF-HZPDHXFCSA-N 1 0 424.567 0.828 20 0 HCADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C3CCN(S(N)(=O)=O)CC3)cc2)C[C@H](C)O1 ZINC000025857118 1078027335 /nfs/dbraw/zinc/02/73/35/1078027335.db2.gz DHQQULSJGDTXRF-IYBDPMFKSA-N 1 0 424.567 0.828 20 0 HCADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C3CCN(S(N)(=O)=O)CC3)cc2)C[C@H](C)O1 ZINC000025857127 1078027312 /nfs/dbraw/zinc/02/73/12/1078027312.db2.gz DHQQULSJGDTXRF-HOTGVXAUSA-N 1 0 424.567 0.828 20 0 HCADRO Cn1cc(/C=C/C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c(=O)n(C)c1=O ZINC000025862744 1078027620 /nfs/dbraw/zinc/02/76/20/1078027620.db2.gz KRZDEYGUPPBDDY-MDZDMXLPSA-N 1 0 411.506 0.426 20 0 HCADRO CC[NH+]1CCC(NC(=O)CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 ZINC000025946188 1079588669 /nfs/dbraw/zinc/58/86/69/1079588669.db2.gz ACJOAQTXWRFJGR-UHFFFAOYSA-N 1 0 411.554 0.930 20 0 HCADRO CC[NH+]1CCC(NC(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)CC1 ZINC000026130823 1079590072 /nfs/dbraw/zinc/59/00/72/1079590072.db2.gz YDSJOVMTLYNBBA-UHFFFAOYSA-N 1 0 413.400 0.715 20 0 HCADRO CCOC(=O)c1ccc(N2CCN(CC(=O)NC3CC[NH+](CC)CC3)CC2)nc1 ZINC000026138066 1079589953 /nfs/dbraw/zinc/58/99/53/1079589953.db2.gz JJCYOQUNQCMVGI-UHFFFAOYSA-N 1 0 403.527 0.981 20 0 HCADRO CN(C)S(=O)(=O)N1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000026147334 1078035501 /nfs/dbraw/zinc/03/55/01/1078035501.db2.gz BWZRDYBFONOGLO-UHFFFAOYSA-N 1 0 409.556 0.916 20 0 HCADRO CN(C)S(=O)(=O)N1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000026163760 1078035084 /nfs/dbraw/zinc/03/50/84/1078035084.db2.gz ZCLFIWDOUDQWEP-UHFFFAOYSA-N 1 0 423.583 0.957 20 0 HCADRO O=c1[nH]c2ccc(S(=O)(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2[nH]c1=O ZINC000026833101 1079597509 /nfs/dbraw/zinc/59/75/09/1079597509.db2.gz GUAXWCZBKBWAFG-UHFFFAOYSA-N 1 0 414.487 0.943 20 0 HCADRO CC[C@@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000026844039 1079597594 /nfs/dbraw/zinc/59/75/94/1079597594.db2.gz ZAPLDWFHEAVASU-INIZCTEOSA-N 1 0 406.508 0.199 20 0 HCADRO CC[C@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000026844048 1079597825 /nfs/dbraw/zinc/59/78/25/1079597825.db2.gz ZAPLDWFHEAVASU-MRXNPFEDSA-N 1 0 406.508 0.199 20 0 HCADRO CNC(=O)c1cc(S(=O)(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cn1C ZINC000026885680 1079599086 /nfs/dbraw/zinc/59/90/86/1079599086.db2.gz BANAEEPETLKFHW-UHFFFAOYSA-N 1 0 419.551 0.481 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Cn3ccc(=O)n(C)c3=O)CC2)c1 ZINC000026963143 1079600692 /nfs/dbraw/zinc/60/06/92/1079600692.db2.gz QLTKCTCSRUYETJ-UHFFFAOYSA-N 1 0 413.522 0.574 20 0 HCADRO C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000027005191 1079601193 /nfs/dbraw/zinc/60/11/93/1079601193.db2.gz RSJMLBOBYXQSDY-CRAIPNDOSA-N 1 0 407.536 0.933 20 0 HCADRO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000027005193 1079601468 /nfs/dbraw/zinc/60/14/68/1079601468.db2.gz RSJMLBOBYXQSDY-MAUKXSAKSA-N 1 0 407.536 0.933 20 0 HCADRO C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000027005195 1079601237 /nfs/dbraw/zinc/60/12/37/1079601237.db2.gz RSJMLBOBYXQSDY-QAPCUYQASA-N 1 0 407.536 0.933 20 0 HCADRO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000027005197 1079601426 /nfs/dbraw/zinc/60/14/26/1079601426.db2.gz RSJMLBOBYXQSDY-YJBOKZPZSA-N 1 0 407.536 0.933 20 0 HCADRO CCCCn1c(N)c(N(CC)C(=O)CN2CC[NH+](C3CCCC3)CC2)c(=O)[nH]c1=O ZINC000027119643 1079602343 /nfs/dbraw/zinc/60/23/43/1079602343.db2.gz PSZVADXXXATCRH-UHFFFAOYSA-N 1 0 420.558 0.832 20 0 HCADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[NH+](C3CCCC3)CC2)CC1 ZINC000027120481 1079602135 /nfs/dbraw/zinc/60/21/35/1079602135.db2.gz KRNBHANGSHRCJG-UHFFFAOYSA-N 1 0 412.542 0.572 20 0 HCADRO O=C(CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1)N1CCN(c2ncccn2)CC1 ZINC000027144343 1079603190 /nfs/dbraw/zinc/60/31/90/1079603190.db2.gz ZZXNHURKVISVSF-SFHVURJKSA-N 1 0 412.494 0.889 20 0 HCADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(CC(=O)N(C)C)CC1 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/nfs/dbraw/zinc/71/39/47/1079713947.db2.gz MEAHUCXSOVSFKP-CQSZACIVSA-N 1 0 418.523 0.695 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccsc1 ZINC000031988148 1079713840 /nfs/dbraw/zinc/71/38/40/1079713840.db2.gz ORUATIUIKRWCTC-AWEZNQCLSA-N 1 0 418.523 0.695 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccsc1 ZINC000031988150 1079713925 /nfs/dbraw/zinc/71/39/25/1079713925.db2.gz ORUATIUIKRWCTC-CQSZACIVSA-N 1 0 418.523 0.695 20 0 HCADRO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000032065029 1079714869 /nfs/dbraw/zinc/71/48/69/1079714869.db2.gz WTMJZZNZLRDXQL-UHFFFAOYSA-N 1 0 421.501 0.624 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)c2=O ZINC000032065315 1079714942 /nfs/dbraw/zinc/71/49/42/1079714942.db2.gz IOFVTOAUEJUCIN-UHFFFAOYSA-N 1 0 409.494 0.064 20 0 HCADRO Cn1cc(S(N)(=O)=O)cc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000032065321 1079714773 /nfs/dbraw/zinc/71/47/73/1079714773.db2.gz KCIDNQCCNMRQLO-UHFFFAOYSA-N 1 0 405.524 0.220 20 0 HCADRO O=C(Cn1nnc2ccccc2c1=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000032065457 1079714737 /nfs/dbraw/zinc/71/47/37/1079714737.db2.gz GFPGPVFWQFXMRW-UHFFFAOYSA-N 1 0 406.490 0.726 20 0 HCADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000032065576 1079715621 /nfs/dbraw/zinc/71/56/21/1079715621.db2.gz WCBCUFKBXPUVHB-UHFFFAOYSA-N 1 0 422.537 0.800 20 0 HCADRO O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000032065971 1079715427 /nfs/dbraw/zinc/71/54/27/1079715427.db2.gz GDPFLOYCQPHVGQ-UHFFFAOYSA-N 1 0 413.522 0.785 20 0 HCADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000032078913 1079715297 /nfs/dbraw/zinc/71/52/97/1079715297.db2.gz XDGQURRRMIVDGX-UHFFFAOYSA-N 1 0 422.489 0.945 20 0 HCADRO O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000032195983 1077762078 /nfs/dbraw/zinc/76/20/78/1077762078.db2.gz RBCBCFNKOHRDCC-UHFFFAOYSA-N 1 0 421.519 0.982 20 0 HCADRO 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CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000032434771 1079722050 /nfs/dbraw/zinc/72/20/50/1079722050.db2.gz FWBRMLBRLVWKTB-MRXNPFEDSA-N 1 0 408.524 0.315 20 0 HCADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000032434772 1079721910 /nfs/dbraw/zinc/72/19/10/1079721910.db2.gz FWBRMLBRLVWKTB-INIZCTEOSA-N 1 0 408.524 0.315 20 0 HCADRO Cn1c2ncn(CCC(=O)NCc3cccc(C[NH+]4CCCC4)c3)c2c(=O)n(C)c1=O ZINC000032463850 1079723363 /nfs/dbraw/zinc/72/33/63/1079723363.db2.gz JGUCCOGHMHXIDU-UHFFFAOYSA-N 1 0 424.505 0.736 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@@H](C)O1 ZINC000032612964 1079725416 /nfs/dbraw/zinc/72/54/16/1079725416.db2.gz AKGRNYCWYUUXLY-QZTJIDSGSA-N 1 0 414.506 0.674 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@H](C)O1 ZINC000032612965 1079725581 /nfs/dbraw/zinc/72/55/81/1079725581.db2.gz AKGRNYCWYUUXLY-HDICACEKSA-N 1 0 414.506 0.674 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@H](C)O1 ZINC000032612966 1079725793 /nfs/dbraw/zinc/72/57/93/1079725793.db2.gz AKGRNYCWYUUXLY-ROUUACIJSA-N 1 0 414.506 0.674 20 0 HCADRO O=C(CCCNC(=O)C1CC1)NNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000032658748 1078055254 /nfs/dbraw/zinc/05/52/54/1078055254.db2.gz IEQFQEBCHUDHBR-UHFFFAOYSA-N 1 0 401.511 0.653 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1cccc(F)c1 ZINC000032729397 1079730802 /nfs/dbraw/zinc/73/08/02/1079730802.db2.gz DORPZTWXAXUVRI-ZDUSSCGKSA-N 1 0 413.247 0.857 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1cccc(F)c1 ZINC000032729399 1079730948 /nfs/dbraw/zinc/73/09/48/1079730948.db2.gz DORPZTWXAXUVRI-CYBMUJFWSA-N 1 0 413.247 0.857 20 0 HCADRO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[N@@H+]1CCCC[C@H]1C ZINC000032737252 1079731128 /nfs/dbraw/zinc/73/11/28/1079731128.db2.gz NHHNPWGDWCTBHX-CVEARBPZSA-N 1 0 422.551 0.800 20 0 HCADRO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000032737253 1079730903 /nfs/dbraw/zinc/73/09/03/1079730903.db2.gz NHHNPWGDWCTBHX-HOTGVXAUSA-N 1 0 422.551 0.800 20 0 HCADRO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000032737728 1079730706 /nfs/dbraw/zinc/73/07/06/1079730706.db2.gz UDGOLKBZRCCWCE-CVEARBPZSA-N 1 0 422.551 0.800 20 0 HCADRO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000032737729 1079731005 /nfs/dbraw/zinc/73/10/05/1079731005.db2.gz UDGOLKBZRCCWCE-HOTGVXAUSA-N 1 0 422.551 0.800 20 0 HCADRO Cn1cc(/C=C/C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000032759559 1078071082 /nfs/dbraw/zinc/07/10/82/1078071082.db2.gz OVMDIZIPVMOZTC-CMDGGOBGSA-N 1 0 411.506 0.031 20 0 HCADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000032760082 1079731080 /nfs/dbraw/zinc/73/10/80/1079731080.db2.gz YQVRDOBEKIKCMX-UHFFFAOYSA-N 1 0 407.474 0.764 20 0 HCADRO O=C(CNS(=O)(=O)c1cccs1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000032760559 1079730737 /nfs/dbraw/zinc/73/07/37/1079730737.db2.gz JVRWGDIZUNKXPA-UHFFFAOYSA-N 1 0 422.576 0.960 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000032763629 1079730857 /nfs/dbraw/zinc/73/08/57/1079730857.db2.gz VLHZHCQKIUQLLW-SFHVURJKSA-N 1 0 424.567 0.955 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000032763630 1079730926 /nfs/dbraw/zinc/73/09/26/1079730926.db2.gz VLHZHCQKIUQLLW-GOSISDBHSA-N 1 0 424.567 0.955 20 0 HCADRO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cnc21 ZINC000032926917 1079733369 /nfs/dbraw/zinc/73/33/69/1079733369.db2.gz VKPATYBKYOLAAT-OKILXGFUSA-N 1 0 403.483 0.724 20 0 HCADRO C[NH+](C)Cc1cccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000033084124 1078158091 /nfs/dbraw/zinc/15/80/91/1078158091.db2.gz OAESFFJKNCZYCK-MRXNPFEDSA-N 1 0 406.508 0.530 20 0 HCADRO C[NH+](C)Cc1cccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000033084125 1078157886 /nfs/dbraw/zinc/15/78/86/1078157886.db2.gz OAESFFJKNCZYCK-INIZCTEOSA-N 1 0 406.508 0.530 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)Cn2nc3ccccn3c2=O)[C@@H](c2ccccc2)C1 ZINC000033136041 1079737521 /nfs/dbraw/zinc/73/75/21/1079737521.db2.gz XYVMWTRKFIDUOX-LJQANCHMSA-N 1 0 408.506 0.991 20 0 HCADRO Cn1c2ncn(CCC(=O)NCc3ccccc3C[NH+]3CCCC3)c2c(=O)n(C)c1=O ZINC000033232168 1079738687 /nfs/dbraw/zinc/73/86/87/1079738687.db2.gz RBLFNNVHRNXDPK-UHFFFAOYSA-N 1 0 424.505 0.736 20 0 HCADRO CC[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000038262541 1079741227 /nfs/dbraw/zinc/74/12/27/1079741227.db2.gz ISCKFCPKLOKRRT-UHFFFAOYSA-N 1 0 424.567 0.602 20 0 HCADRO CC[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000038271387 1079741960 /nfs/dbraw/zinc/74/19/60/1079741960.db2.gz WPIRLUOVZOJXNM-UHFFFAOYSA-N 1 0 408.568 0.735 20 0 HCADRO Cc1cc(C)n2nc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)NCC[NH+](C)C)nc2n1 ZINC000040119372 1079743020 /nfs/dbraw/zinc/74/30/20/1079743020.db2.gz DGNMPAHHSWXMKT-GOSISDBHSA-N 1 0 421.505 0.986 20 0 HCADRO Cc1cc(C)n2nc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)NCC[NH+](C)C)nc2n1 ZINC000040119373 1079743238 /nfs/dbraw/zinc/74/32/38/1079743238.db2.gz DGNMPAHHSWXMKT-SFHVURJKSA-N 1 0 421.505 0.986 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000041240335 1079744847 /nfs/dbraw/zinc/74/48/47/1079744847.db2.gz CVOYRFISFVBCCS-UHFFFAOYSA-N 1 0 416.478 0.661 20 0 HCADRO O=C(Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc1)N1CCOCC1 ZINC000041241031 1079744830 /nfs/dbraw/zinc/74/48/30/1079744830.db2.gz CWUYACOETBOILW-UHFFFAOYSA-N 1 0 414.506 0.769 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCC(=O)N2CCCC2)c1 ZINC000041247187 1079745212 /nfs/dbraw/zinc/74/52/12/1079745212.db2.gz FJRGHTHGQQAYNK-UHFFFAOYSA-N 1 0 417.510 0.435 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC(=O)N3CCCC3)cc2)CC1 ZINC000041247225 1079745155 /nfs/dbraw/zinc/74/51/55/1079745155.db2.gz AQEGVOYEIWIEBG-UHFFFAOYSA-N 1 0 401.511 0.501 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(=O)N3CCCC3)c(C)c2)CC1 ZINC000041247479 1079745373 /nfs/dbraw/zinc/74/53/73/1079745373.db2.gz KWSVCDRGHSPQJN-UHFFFAOYSA-N 1 0 401.511 0.814 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000041275406 1079745465 /nfs/dbraw/zinc/74/54/65/1079745465.db2.gz VRTUZUSSRYCEIW-OKILXGFUSA-N 1 0 412.512 0.149 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000041275407 1079745117 /nfs/dbraw/zinc/74/51/17/1079745117.db2.gz VRTUZUSSRYCEIW-KBPBESRZSA-N 1 0 412.512 0.149 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000041275408 1079745542 /nfs/dbraw/zinc/74/55/42/1079745542.db2.gz VRTUZUSSRYCEIW-ZIAGYGMSSA-N 1 0 412.512 0.149 20 0 HCADRO COC(=O)COc1cccc(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000041275520 1079746189 /nfs/dbraw/zinc/74/61/89/1079746189.db2.gz OKSHYTXKQNBZBP-GASCZTMLSA-N 1 0 407.467 0.792 20 0 HCADRO COC(=O)COc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000041275521 1079746472 /nfs/dbraw/zinc/74/64/72/1079746472.db2.gz OKSHYTXKQNBZBP-GJZGRUSLSA-N 1 0 407.467 0.792 20 0 HCADRO COC(=O)COc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000041275522 1079746427 /nfs/dbraw/zinc/74/64/27/1079746427.db2.gz OKSHYTXKQNBZBP-HUUCEWRRSA-N 1 0 407.467 0.792 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@H](C)O1 ZINC000041275999 1079746247 /nfs/dbraw/zinc/74/62/47/1079746247.db2.gz OOWCLYFCUJIZRW-IYBDPMFKSA-N 1 0 404.511 0.871 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@H](C)O1 ZINC000041276000 1079745917 /nfs/dbraw/zinc/74/59/17/1079745917.db2.gz OOWCLYFCUJIZRW-HOTGVXAUSA-N 1 0 404.511 0.871 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@@H](C)O1 ZINC000041276001 1079746388 /nfs/dbraw/zinc/74/63/88/1079746388.db2.gz OOWCLYFCUJIZRW-HZPDHXFCSA-N 1 0 404.511 0.871 20 0 HCADRO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000041330460 1079747293 /nfs/dbraw/zinc/74/72/93/1079747293.db2.gz URFZULFFXBCTMJ-GOSISDBHSA-N 1 0 419.526 0.980 20 0 HCADRO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000041330463 1079747102 /nfs/dbraw/zinc/74/71/02/1079747102.db2.gz URFZULFFXBCTMJ-SFHVURJKSA-N 1 0 419.526 0.980 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1)N1CC[NH+](C)CC1 ZINC000041330949 1079747141 /nfs/dbraw/zinc/74/71/41/1079747141.db2.gz RQEHVJILUKLZOD-LJQANCHMSA-N 1 0 415.538 0.906 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1)N1CC[NH+](C)CC1 ZINC000041330952 1079746914 /nfs/dbraw/zinc/74/69/14/1079746914.db2.gz RQEHVJILUKLZOD-IBGZPJMESA-N 1 0 415.538 0.906 20 0 HCADRO CC(C)[C@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[NH+]1CCC(C)CC1 ZINC000041401685 1079747726 /nfs/dbraw/zinc/74/77/26/1079747726.db2.gz RWNGNVCEOKODHY-INIZCTEOSA-N 1 0 418.542 0.697 20 0 HCADRO CC(C)[C@@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[NH+]1CCC(C)CC1 ZINC000041401687 1079748025 /nfs/dbraw/zinc/74/80/25/1079748025.db2.gz RWNGNVCEOKODHY-MRXNPFEDSA-N 1 0 418.542 0.697 20 0 HCADRO CC(C)[C@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[NH+]1CCC(C)CC1 ZINC000041402188 1079747969 /nfs/dbraw/zinc/74/79/69/1079747969.db2.gz XIBZZIKNVKSCGO-HNNXBMFYSA-N 1 0 404.515 0.306 20 0 HCADRO CC(C)[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[NH+]1CCC(C)CC1 ZINC000041402190 1079748320 /nfs/dbraw/zinc/74/83/20/1079748320.db2.gz XIBZZIKNVKSCGO-OAHLLOKOSA-N 1 0 404.515 0.306 20 0 HCADRO CC(C)[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(C)CC1 ZINC000041402444 1079748204 /nfs/dbraw/zinc/74/82/04/1079748204.db2.gz NYFYJGXBFBCGIN-HNNXBMFYSA-N 1 0 404.515 0.306 20 0 HCADRO CC(C)[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(C)CC1 ZINC000041402446 1079748585 /nfs/dbraw/zinc/74/85/85/1079748585.db2.gz NYFYJGXBFBCGIN-OAHLLOKOSA-N 1 0 404.515 0.306 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000041491211 1079749688 /nfs/dbraw/zinc/74/96/88/1079749688.db2.gz ZJZXYGGFHKYLJR-UHFFFAOYSA-N 1 0 411.462 0.875 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)Nc3ccc(CC(N)=O)cc3)ccn2)CC1 ZINC000041491262 1079749938 /nfs/dbraw/zinc/74/99/38/1079749938.db2.gz PKIVBJDWUCBBOM-UHFFFAOYSA-N 1 0 410.478 0.116 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000041491271 1080019831 /nfs/dbraw/zinc/01/98/31/1080019831.db2.gz WNLGAWQHGWNSCP-UHFFFAOYSA-N 1 0 410.478 0.448 20 0 HCADRO CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000041491278 1079749760 /nfs/dbraw/zinc/74/97/60/1079749760.db2.gz OSINSYQLWYKAPP-UHFFFAOYSA-N 1 0 410.478 0.448 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)[NH+]1CCCC1 ZINC000041596649 1079750953 /nfs/dbraw/zinc/75/09/53/1079750953.db2.gz IDWKPGNRDPAMHH-INIZCTEOSA-N 1 0 417.510 0.496 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)[NH+]1CCCC1 ZINC000041596652 1079751548 /nfs/dbraw/zinc/75/15/48/1079751548.db2.gz IDWKPGNRDPAMHH-MRXNPFEDSA-N 1 0 417.510 0.496 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000041603605 1079751329 /nfs/dbraw/zinc/75/13/29/1079751329.db2.gz KORQRCHAEBSGQQ-MRXNPFEDSA-N 1 0 419.526 0.742 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000041605081 1079751061 /nfs/dbraw/zinc/75/10/61/1079751061.db2.gz GPOLKLABGXYDNL-MRXNPFEDSA-N 1 0 404.511 0.873 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000041605137 1079751243 /nfs/dbraw/zinc/75/12/43/1079751243.db2.gz NWMOXEFVVVFWNY-CYBMUJFWSA-N 1 0 414.528 0.731 20 0 HCADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000041626227 1079752230 /nfs/dbraw/zinc/75/22/30/1079752230.db2.gz PMCRAFBCUJBDBT-KRWDZBQOSA-N 1 0 409.556 0.382 20 0 HCADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000041626230 1079752426 /nfs/dbraw/zinc/75/24/26/1079752426.db2.gz PMCRAFBCUJBDBT-QGZVFWFLSA-N 1 0 409.556 0.382 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000041629211 1079751977 /nfs/dbraw/zinc/75/19/77/1079751977.db2.gz UACYGPVHPFCMGS-UHFFFAOYSA-N 1 0 419.551 0.740 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(OCC(=O)OC)c2)CC1 ZINC000041640306 1079753193 /nfs/dbraw/zinc/75/31/93/1079753193.db2.gz ZJALULUSKJEWBP-HNNXBMFYSA-N 1 0 406.483 0.319 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(OCC(=O)OC)c2)CC1 ZINC000041640308 1079753060 /nfs/dbraw/zinc/75/30/60/1079753060.db2.gz ZJALULUSKJEWBP-OAHLLOKOSA-N 1 0 406.483 0.319 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000041641253 1079753128 /nfs/dbraw/zinc/75/31/28/1079753128.db2.gz LRJSROKAUNRGRE-ZDUSSCGKSA-N 1 0 414.503 0.310 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000041641255 1079753507 /nfs/dbraw/zinc/75/35/07/1079753507.db2.gz LRJSROKAUNRGRE-CYBMUJFWSA-N 1 0 414.503 0.310 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000041641257 1079753211 /nfs/dbraw/zinc/75/32/11/1079753211.db2.gz DVLAJOLDFXOSET-HNNXBMFYSA-N 1 0 401.511 0.676 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000041641259 1079753098 /nfs/dbraw/zinc/75/30/98/1079753098.db2.gz DVLAJOLDFXOSET-OAHLLOKOSA-N 1 0 401.511 0.676 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000041641391 1079753010 /nfs/dbraw/zinc/75/30/10/1079753010.db2.gz JJOOSYSPNSOEQE-OAHLLOKOSA-N 1 0 401.511 0.660 20 0 HCADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000041642508 1079753317 /nfs/dbraw/zinc/75/33/17/1079753317.db2.gz JSPQHJSRWVPLPF-GOSISDBHSA-N 1 0 411.458 0.932 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000041642565 1079753543 /nfs/dbraw/zinc/75/35/43/1079753543.db2.gz BEJROEONQDUENP-LJQANCHMSA-N 1 0 411.458 0.947 20 0 HCADRO NC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000041642672 1079753587 /nfs/dbraw/zinc/75/35/87/1079753587.db2.gz CADUTFINBUCGTP-LJQANCHMSA-N 1 0 410.474 0.188 20 0 HCADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000041642683 1079753280 /nfs/dbraw/zinc/75/32/80/1079753280.db2.gz KQCZHFHTFOAAHY-LJQANCHMSA-N 1 0 411.458 0.947 20 0 HCADRO CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000041642693 1079753153 /nfs/dbraw/zinc/75/31/53/1079753153.db2.gz YJGMOPBHBGOGOV-LJQANCHMSA-N 1 0 410.474 0.520 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000041642713 1079752935 /nfs/dbraw/zinc/75/29/35/1079752935.db2.gz PEOWPAJNTUPPKN-LJQANCHMSA-N 1 0 410.474 0.520 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000041653561 1080019687 /nfs/dbraw/zinc/01/96/87/1080019687.db2.gz IQZMJNJPFSDUGW-KGLIPLIRSA-N 1 0 403.483 0.077 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000041653567 1080019921 /nfs/dbraw/zinc/01/99/21/1080019921.db2.gz IQZMJNJPFSDUGW-KBPBESRZSA-N 1 0 403.483 0.077 20 0 HCADRO COc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OCC(N)=O ZINC000041653700 1080020401 /nfs/dbraw/zinc/02/04/01/1080020401.db2.gz RMQMZMAGZDRTGR-KGLIPLIRSA-N 1 0 406.483 0.734 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000041659738 1079753414 /nfs/dbraw/zinc/75/34/14/1079753414.db2.gz LSHADXJOSKDYQS-UHFFFAOYSA-N 1 0 418.494 0.766 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000041660613 1079753468 /nfs/dbraw/zinc/75/34/68/1079753468.db2.gz JPNUSGIRKVUJLA-UHFFFAOYSA-N 1 0 402.495 0.946 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000041661075 1080020163 /nfs/dbraw/zinc/02/01/63/1080020163.db2.gz VPWQEHKUGZZVCZ-UHFFFAOYSA-N 1 0 402.495 0.946 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000041661081 1080020316 /nfs/dbraw/zinc/02/03/16/1080020316.db2.gz KHXUNUOWFQZYMY-UHFFFAOYSA-N 1 0 402.495 0.946 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000041661087 1079752880 /nfs/dbraw/zinc/75/28/80/1079752880.db2.gz HCQUVFQZMTZIJW-UHFFFAOYSA-N 1 0 416.522 0.875 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000041662012 1079754040 /nfs/dbraw/zinc/75/40/40/1079754040.db2.gz NZOGFJSVWXNPDO-UHFFFAOYSA-N 1 0 404.467 0.376 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000041662299 1079754430 /nfs/dbraw/zinc/75/44/30/1079754430.db2.gz CSNPBDYKUTXBLM-UHFFFAOYSA-N 1 0 408.524 0.914 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000041662549 1079754538 /nfs/dbraw/zinc/75/45/38/1079754538.db2.gz UCVSCSLELBCWIS-OAHLLOKOSA-N 1 0 418.494 0.909 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000041662556 1079754284 /nfs/dbraw/zinc/75/42/84/1079754284.db2.gz UCVSCSLELBCWIS-HNNXBMFYSA-N 1 0 418.494 0.909 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000041669454 1080020191 /nfs/dbraw/zinc/02/01/91/1080020191.db2.gz DJSVQKYRRZPCPA-MRXNPFEDSA-N 1 0 402.495 0.946 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000041669460 1080020459 /nfs/dbraw/zinc/02/04/59/1080020459.db2.gz DJSVQKYRRZPCPA-INIZCTEOSA-N 1 0 402.495 0.946 20 0 HCADRO CN(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)S(=O)(=O)c1cccnc1 ZINC000041688903 1079754251 /nfs/dbraw/zinc/75/42/51/1079754251.db2.gz BKUBSAQKABHPPM-UHFFFAOYSA-N 1 0 404.496 0.488 20 0 HCADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000041716997 1079754357 /nfs/dbraw/zinc/75/43/57/1079754357.db2.gz XGSBSRBQSFLYDR-UHFFFAOYSA-N 1 0 404.511 0.873 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 ZINC000041717969 1079754476 /nfs/dbraw/zinc/75/44/76/1079754476.db2.gz FFTAGCNAXOZQNG-UHFFFAOYSA-N 1 0 412.498 0.367 20 0 HCADRO CCN(Cc1ccccc1NC(=O)C(=O)NCCN1CC[NH+](CC)CC1)C(C)=O ZINC000041718119 1079754134 /nfs/dbraw/zinc/75/41/34/1079754134.db2.gz VALUQJZDOHDPNY-UHFFFAOYSA-N 1 0 403.527 0.747 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000041718172 1079754575 /nfs/dbraw/zinc/75/45/75/1079754575.db2.gz DBYIUPVZHSQWHZ-UHFFFAOYSA-N 1 0 402.451 0.912 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 ZINC000041718775 1079754223 /nfs/dbraw/zinc/75/42/23/1079754223.db2.gz OHKDWWLYVQEMMV-SFHVURJKSA-N 1 0 417.510 0.496 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 ZINC000041718779 1079754455 /nfs/dbraw/zinc/75/44/55/1079754455.db2.gz OHKDWWLYVQEMMV-GOSISDBHSA-N 1 0 417.510 0.496 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(Cl)c2-n2cncn2)CC1 ZINC000041719035 1079754189 /nfs/dbraw/zinc/75/41/89/1079754189.db2.gz XZCBIIYCTWPOTN-UHFFFAOYSA-N 1 0 405.890 0.613 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)CC1 ZINC000041719043 1079754329 /nfs/dbraw/zinc/75/43/29/1079754329.db2.gz PLACUZWESNADKR-UHFFFAOYSA-N 1 0 415.538 0.923 20 0 HCADRO CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NCCN2CC[NH+](CC)CC2)cc1 ZINC000041719187 1079754100 /nfs/dbraw/zinc/75/41/00/1079754100.db2.gz DLDNWKXDXCPDHX-UHFFFAOYSA-N 1 0 403.527 0.861 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 ZINC000041719195 1079754416 /nfs/dbraw/zinc/75/44/16/1079754416.db2.gz URNWJXDKAAFFEQ-UHFFFAOYSA-N 1 0 401.511 0.615 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CC1 ZINC000041719447 1079753995 /nfs/dbraw/zinc/75/39/95/1079753995.db2.gz KOESROKLNRUTIM-IBGZPJMESA-N 1 0 404.511 0.937 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CC1 ZINC000041719452 1079754386 /nfs/dbraw/zinc/75/43/86/1079754386.db2.gz KOESROKLNRUTIM-LJQANCHMSA-N 1 0 404.511 0.937 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000041719587 1079754597 /nfs/dbraw/zinc/75/45/97/1079754597.db2.gz QQMAZNOPNRIWMK-UHFFFAOYSA-N 1 0 410.540 0.563 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)CC1 ZINC000041719695 1079754885 /nfs/dbraw/zinc/75/48/85/1079754885.db2.gz REDLCTCADBWLTE-UHFFFAOYSA-N 1 0 400.487 0.053 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000041719915 1079755039 /nfs/dbraw/zinc/75/50/39/1079755039.db2.gz KMXOKZIOECHOSH-UHFFFAOYSA-N 1 0 408.499 0.795 20 0 HCADRO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCCN2CC[NH+](CC)CC2)c1 ZINC000041720578 1079754946 /nfs/dbraw/zinc/75/49/46/1079754946.db2.gz GWRDPVRKRQOGAD-UHFFFAOYSA-N 1 0 403.527 0.827 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2C)CC1 ZINC000041720635 1079755280 /nfs/dbraw/zinc/75/52/80/1079755280.db2.gz WBVMXRFNGRATFH-UHFFFAOYSA-N 1 0 403.527 0.779 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000041721078 1079755077 /nfs/dbraw/zinc/75/50/77/1079755077.db2.gz YASCXNGFYBAFOC-UHFFFAOYSA-N 1 0 401.511 0.896 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000041721118 1079755200 /nfs/dbraw/zinc/75/52/00/1079755200.db2.gz ZFRVYQQJBUGZTD-UHFFFAOYSA-N 1 0 401.511 0.661 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000041721157 1079755131 /nfs/dbraw/zinc/75/51/31/1079755131.db2.gz JIMIDMHLKHPUGA-UHFFFAOYSA-N 1 0 401.511 0.896 20 0 HCADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCCN2CCN(C(C)=O)CC2)c1 ZINC000041722542 1079755116 /nfs/dbraw/zinc/75/51/16/1079755116.db2.gz JRJKGDCQQLXWPU-UHFFFAOYSA-N 1 0 403.527 0.747 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)CN3CCOCC3)cc2)CC1 ZINC000041739738 1079756041 /nfs/dbraw/zinc/75/60/41/1079756041.db2.gz LZYPWJZSFZDUBU-SFHVURJKSA-N 1 0 417.554 0.600 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)CN3CCOCC3)cc2)CC1 ZINC000041739739 1079755924 /nfs/dbraw/zinc/75/59/24/1079755924.db2.gz LZYPWJZSFZDUBU-GOSISDBHSA-N 1 0 417.554 0.600 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)CN3CCOCC3)c(C)c2)CC1 ZINC000041739866 1079756103 /nfs/dbraw/zinc/75/61/03/1079756103.db2.gz RVWWSAOLKMJSSB-SFHVURJKSA-N 1 0 417.554 0.912 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)CN3CCOCC3)c(C)c2)CC1 ZINC000041739867 1079755791 /nfs/dbraw/zinc/75/57/91/1079755791.db2.gz RVWWSAOLKMJSSB-GOSISDBHSA-N 1 0 417.554 0.912 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000041784849 1079756795 /nfs/dbraw/zinc/75/67/95/1079756795.db2.gz DTERWMLQSGAPHK-UHFFFAOYSA-N 1 0 413.482 0.842 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)ccc1C ZINC000041785593 1079756866 /nfs/dbraw/zinc/75/68/66/1079756866.db2.gz KJLRGXGGCAHXDX-UHFFFAOYSA-N 1 0 412.512 0.070 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000041785615 1079756500 /nfs/dbraw/zinc/75/65/00/1079756500.db2.gz ZKWUXDXJDXJGPJ-UHFFFAOYSA-N 1 0 413.478 0.510 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000041786928 1079756477 /nfs/dbraw/zinc/75/64/77/1079756477.db2.gz QERQVJLUOLRGPL-HNNXBMFYSA-N 1 0 417.510 0.611 20 0 HCADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000041788894 1079756838 /nfs/dbraw/zinc/75/68/38/1079756838.db2.gz JIQYRWIVFFMDOK-OAHLLOKOSA-N 1 0 417.510 0.469 20 0 HCADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000041788897 1079756683 /nfs/dbraw/zinc/75/66/83/1079756683.db2.gz JIQYRWIVFFMDOK-HNNXBMFYSA-N 1 0 417.510 0.469 20 0 HCADRO CCNC(=O)c1cccc(NC(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)c1 ZINC000041790285 1079756745 /nfs/dbraw/zinc/75/67/45/1079756745.db2.gz JYQVJDIJQLYUQC-UHFFFAOYSA-N 1 0 403.527 0.909 20 0 HCADRO C[NH+]1CCN(CCNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 ZINC000041845047 1079757900 /nfs/dbraw/zinc/75/79/00/1079757900.db2.gz SNLRPEUHWFHREK-UHFFFAOYSA-N 1 0 407.559 0.877 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000041859976 1079758671 /nfs/dbraw/zinc/75/86/71/1079758671.db2.gz IXPYXLDDCKOVNJ-UHFFFAOYSA-N 1 0 404.492 0.911 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)CN3C(=O)CN(C)C3=O)CC2)c1 ZINC000041867632 1079758729 /nfs/dbraw/zinc/75/87/29/1079758729.db2.gz FBHRNTFRTGLCHG-UHFFFAOYSA-N 1 0 401.511 0.907 20 0 HCADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c1 ZINC000041876219 1079759417 /nfs/dbraw/zinc/75/94/17/1079759417.db2.gz NDGNNBVOOULQER-UHFFFAOYSA-N 1 0 411.462 0.218 20 0 HCADRO Cn1cnnc1CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000041888496 1079759703 /nfs/dbraw/zinc/75/97/03/1079759703.db2.gz JDSZFOSTZSQBNJ-UHFFFAOYSA-N 1 0 413.482 0.885 20 0 HCADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000041893232 1079759594 /nfs/dbraw/zinc/75/95/94/1079759594.db2.gz SKNLIBXIJYFARM-ZDUSSCGKSA-N 1 0 406.508 0.666 20 0 HCADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000041893236 1079759372 /nfs/dbraw/zinc/75/93/72/1079759372.db2.gz SKNLIBXIJYFARM-CYBMUJFWSA-N 1 0 406.508 0.666 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000041922967 1079759752 /nfs/dbraw/zinc/75/97/52/1079759752.db2.gz WUXUZQCHFOUFIE-UHFFFAOYSA-N 1 0 412.512 0.250 20 0 HCADRO O=C(Nc1ccccc1C(=O)N1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042055857 1079761410 /nfs/dbraw/zinc/76/14/10/1079761410.db2.gz ASNFBPYBVCTVED-QZTJIDSGSA-N 1 0 400.479 0.841 20 0 HCADRO O=C(Nc1ccccc1C(=O)N1CCOCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042055859 1079761705 /nfs/dbraw/zinc/76/17/05/1079761705.db2.gz ASNFBPYBVCTVED-ZWKOTPCHSA-N 1 0 400.479 0.841 20 0 HCADRO O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042056176 1079761638 /nfs/dbraw/zinc/76/16/38/1079761638.db2.gz LRHPTPNVNHQXTF-QZTJIDSGSA-N 1 0 400.479 0.841 20 0 HCADRO O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042056178 1079761487 /nfs/dbraw/zinc/76/14/87/1079761487.db2.gz LRHPTPNVNHQXTF-ZWKOTPCHSA-N 1 0 400.479 0.841 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)CCCN3C(=O)CNC3=O)CC2)c1 ZINC000042056411 1079761862 /nfs/dbraw/zinc/76/18/62/1079761862.db2.gz VKPDGVUQEFDUEN-UHFFFAOYSA-N 1 0 401.511 0.955 20 0 HCADRO O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042057011 1079762284 /nfs/dbraw/zinc/76/22/84/1079762284.db2.gz YJNOSRQTPKFUHN-IAGOWNOFSA-N 1 0 406.508 0.809 20 0 HCADRO O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042057014 1079762594 /nfs/dbraw/zinc/76/25/94/1079762594.db2.gz YJNOSRQTPKFUHN-DLBZAZTESA-N 1 0 406.508 0.809 20 0 HCADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCC3([NH+]4CCSCC4)CCCC3)cnc21 ZINC000042073371 1079762636 /nfs/dbraw/zinc/76/26/36/1079762636.db2.gz XOXNCRDNTZFOTN-UHFFFAOYSA-N 1 0 403.508 0.713 20 0 HCADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172117 1079764886 /nfs/dbraw/zinc/76/48/86/1079764886.db2.gz CTNGSROGPNKPNF-GOEBONIOSA-N 1 0 410.478 0.385 20 0 HCADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172120 1079765064 /nfs/dbraw/zinc/76/50/64/1079765064.db2.gz CTNGSROGPNKPNF-GDBMZVCRSA-N 1 0 410.478 0.385 20 0 HCADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172123 1079765239 /nfs/dbraw/zinc/76/52/39/1079765239.db2.gz CTNGSROGPNKPNF-HOCLYGCPSA-N 1 0 410.478 0.385 20 0 HCADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172126 1079764730 /nfs/dbraw/zinc/76/47/30/1079764730.db2.gz CTNGSROGPNKPNF-ZBFHGGJFSA-N 1 0 410.478 0.385 20 0 HCADRO O=S(=O)(NC1CC[NH+](C[C@H](O)CN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000042185220 1079765278 /nfs/dbraw/zinc/76/52/78/1079765278.db2.gz UGUFTPIWJVVREQ-KRWDZBQOSA-N 1 0 401.504 0.262 20 0 HCADRO O=S(=O)(NC1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000042185222 1079764508 /nfs/dbraw/zinc/76/45/08/1079764508.db2.gz UGUFTPIWJVVREQ-QGZVFWFLSA-N 1 0 401.504 0.262 20 0 HCADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000042534149 1079768428 /nfs/dbraw/zinc/76/84/28/1079768428.db2.gz GBTWKHLRLYDLEY-KDURUIRLSA-N 1 0 419.614 0.852 20 0 HCADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000042534153 1079768315 /nfs/dbraw/zinc/76/83/15/1079768315.db2.gz GBTWKHLRLYDLEY-OALUTQOASA-N 1 0 419.614 0.852 20 0 HCADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000042534156 1079768594 /nfs/dbraw/zinc/76/85/94/1079768594.db2.gz GBTWKHLRLYDLEY-RTBURBONSA-N 1 0 419.614 0.852 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC(C)C ZINC000042548311 1079768583 /nfs/dbraw/zinc/76/85/83/1079768583.db2.gz ZUNHLESTVXBEPM-HNNXBMFYSA-N 1 0 406.531 0.697 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC(C)C ZINC000042548314 1079768265 /nfs/dbraw/zinc/76/82/65/1079768265.db2.gz ZUNHLESTVXBEPM-OAHLLOKOSA-N 1 0 406.531 0.697 20 0 HCADRO Cc1cc(NC(=O)C2CC[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC2)no1 ZINC000042571387 1079769589 /nfs/dbraw/zinc/76/95/89/1079769589.db2.gz XYANSMNYEMIGEO-UHFFFAOYSA-N 1 0 413.482 0.772 20 0 HCADRO CC(C)[C@@H](CNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)[NH+]1CCN(C)CC1 ZINC000042581868 1079769773 /nfs/dbraw/zinc/76/97/73/1079769773.db2.gz MNBDPRDRAUSUQH-QGZVFWFLSA-N 1 0 407.559 0.972 20 0 HCADRO CC(C)[C@H](CNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)[NH+]1CCN(C)CC1 ZINC000042581871 1079769816 /nfs/dbraw/zinc/76/98/16/1079769816.db2.gz MNBDPRDRAUSUQH-KRWDZBQOSA-N 1 0 407.559 0.972 20 0 HCADRO CC(C)[C@H](CNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)[NH+]1CCN(C)CC1 ZINC000042582016 1079769724 /nfs/dbraw/zinc/76/97/24/1079769724.db2.gz LNGBUBHOBYTFHV-WWMYMODYSA-N 1 0 407.559 0.875 20 0 HCADRO CC(C)[C@H](CNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)[NH+]1CCN(C)CC1 ZINC000042582019 1079769624 /nfs/dbraw/zinc/76/96/24/1079769624.db2.gz LNGBUBHOBYTFHV-FIKGOQFSSA-N 1 0 407.559 0.875 20 0 HCADRO CC(C)[C@H](CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)[NH+]1CCN(C)CC1 ZINC000042582022 1079769474 /nfs/dbraw/zinc/76/94/74/1079769474.db2.gz LNGBUBHOBYTFHV-LLGFUMIMSA-N 1 0 407.559 0.875 20 0 HCADRO CC(C)[C@H](CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)[NH+]1CCN(C)CC1 ZINC000042582025 1079769539 /nfs/dbraw/zinc/76/95/39/1079769539.db2.gz LNGBUBHOBYTFHV-XGHQBKJUSA-N 1 0 407.559 0.875 20 0 HCADRO CC(C)[C@H](CNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)[NH+]1CCN(C)CC1 ZINC000042583015 1079770060 /nfs/dbraw/zinc/77/00/60/1079770060.db2.gz LDIAOHNQVVODGE-BATSVXPKSA-N 1 0 407.559 0.875 20 0 HCADRO CC(C)[C@@H](CNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)[NH+]1CCN(C)CC1 ZINC000042583018 1079770132 /nfs/dbraw/zinc/77/01/32/1079770132.db2.gz LDIAOHNQVVODGE-BQIYRTECSA-N 1 0 407.559 0.875 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000042591915 1079770190 /nfs/dbraw/zinc/77/01/90/1079770190.db2.gz FNGPSGJASHWOIL-ZWKOTPCHSA-N 1 0 408.543 0.722 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000042591918 1079770019 /nfs/dbraw/zinc/77/00/19/1079770019.db2.gz FNGPSGJASHWOIL-QZTJIDSGSA-N 1 0 408.543 0.722 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000042591921 1079769670 /nfs/dbraw/zinc/76/96/70/1079769670.db2.gz FNGPSGJASHWOIL-ROUUACIJSA-N 1 0 408.543 0.722 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000042591924 1079769866 /nfs/dbraw/zinc/76/98/66/1079769866.db2.gz FNGPSGJASHWOIL-MSOLQXFVSA-N 1 0 408.543 0.722 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000042592277 1079770632 /nfs/dbraw/zinc/77/06/32/1079770632.db2.gz ODJUDKAPXVIRMY-IERDGZPVSA-N 1 0 407.559 0.877 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000042592280 1079770571 /nfs/dbraw/zinc/77/05/71/1079770571.db2.gz ODJUDKAPXVIRMY-IIBYNOLFSA-N 1 0 407.559 0.877 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000042592283 1079770840 /nfs/dbraw/zinc/77/08/40/1079770840.db2.gz ODJUDKAPXVIRMY-KKSFZXQISA-N 1 0 407.559 0.877 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000042592286 1079770982 /nfs/dbraw/zinc/77/09/82/1079770982.db2.gz ODJUDKAPXVIRMY-HRAATJIYSA-N 1 0 407.559 0.877 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000042595320 1079771261 /nfs/dbraw/zinc/77/12/61/1079771261.db2.gz IJOMVXNPBJPYAK-UHFFFAOYSA-N 1 0 401.511 0.886 20 0 HCADRO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000042595713 1079771179 /nfs/dbraw/zinc/77/11/79/1079771179.db2.gz DIVMTSPLVUSJTC-RDJZCZTQSA-N 1 0 402.495 0.944 20 0 HCADRO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000042595717 1079771323 /nfs/dbraw/zinc/77/13/23/1079771323.db2.gz DIVMTSPLVUSJTC-WBVHZDCISA-N 1 0 402.495 0.944 20 0 HCADRO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000042596181 1079771042 /nfs/dbraw/zinc/77/10/42/1079771042.db2.gz LGCOJBFGBUSFLD-FGTMMUONSA-N 1 0 417.506 0.902 20 0 HCADRO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000042596191 1079771296 /nfs/dbraw/zinc/77/12/96/1079771296.db2.gz LGCOJBFGBUSFLD-SQNIBIBYSA-N 1 0 417.506 0.902 20 0 HCADRO COc1cccc([C@H](CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[NH+](C)C)c1 ZINC000042634036 1079771748 /nfs/dbraw/zinc/77/17/48/1079771748.db2.gz XQUJIMLAFRUMMG-KRWDZBQOSA-N 1 0 411.462 0.674 20 0 HCADRO COc1cccc([C@@H](CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[NH+](C)C)c1 ZINC000042634037 1079772066 /nfs/dbraw/zinc/77/20/66/1079772066.db2.gz XQUJIMLAFRUMMG-QGZVFWFLSA-N 1 0 411.462 0.674 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000042946281 1079780220 /nfs/dbraw/zinc/78/02/20/1079780220.db2.gz DBCRACFTNNQJFC-UHFFFAOYSA-N 1 0 411.572 0.593 20 0 HCADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000043086465 1079783169 /nfs/dbraw/zinc/78/31/69/1079783169.db2.gz UTMCPDHWWCKNCN-UHFFFAOYSA-N 1 0 412.494 0.590 20 0 HCADRO CS(=O)(=O)N1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000043138426 1079783885 /nfs/dbraw/zinc/78/38/85/1079783885.db2.gz NHIOCAGUFADDIJ-UHFFFAOYSA-N 1 0 402.561 0.745 20 0 HCADRO C[NH+](C)C1(CNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCCC1 ZINC000043146737 1079783844 /nfs/dbraw/zinc/78/38/44/1079783844.db2.gz JFWGIBVZGVICJG-UHFFFAOYSA-N 1 0 401.511 0.932 20 0 HCADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000043166857 1079784638 /nfs/dbraw/zinc/78/46/38/1079784638.db2.gz ODTWFWAOJIRDER-MRXNPFEDSA-N 1 0 403.483 0.549 20 0 HCADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000043166858 1079784349 /nfs/dbraw/zinc/78/43/49/1079784349.db2.gz ODTWFWAOJIRDER-INIZCTEOSA-N 1 0 403.483 0.549 20 0 HCADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000043168089 1079784606 /nfs/dbraw/zinc/78/46/06/1079784606.db2.gz PLIFTTSGOFJJDM-QGZVFWFLSA-N 1 0 417.510 0.893 20 0 HCADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000043168090 1079784531 /nfs/dbraw/zinc/78/45/31/1079784531.db2.gz PLIFTTSGOFJJDM-KRWDZBQOSA-N 1 0 417.510 0.893 20 0 HCADRO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000043180076 1079784586 /nfs/dbraw/zinc/78/45/86/1079784586.db2.gz ALQYPSGJDMJZEK-UHFFFAOYSA-N 1 0 401.577 0.917 20 0 HCADRO CCNC(=O)CN1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000043228125 1079785083 /nfs/dbraw/zinc/78/50/83/1079785083.db2.gz UIOFYVGWVWWHCU-UHFFFAOYSA-N 1 0 416.570 0.268 20 0 HCADRO CN1CCN(C(=O)CCNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000043228141 1079785037 /nfs/dbraw/zinc/78/50/37/1079785037.db2.gz LXTHMYLWNVPCCJ-UHFFFAOYSA-N 1 0 416.570 0.268 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000043472671 1079786609 /nfs/dbraw/zinc/78/66/09/1079786609.db2.gz QONUQWDYZDKRIV-UHFFFAOYSA-N 1 0 403.574 0.612 20 0 HCADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000043473143 1079787510 /nfs/dbraw/zinc/78/75/10/1079787510.db2.gz LLZJNFKOWOWIMO-UHFFFAOYSA-N 1 0 402.542 0.649 20 0 HCADRO CS(=O)(=O)N1CCCN(CC(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000043614095 1079787945 /nfs/dbraw/zinc/78/79/45/1079787945.db2.gz YKDOXTUBYCOXJX-UHFFFAOYSA-N 1 0 400.570 0.360 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(OCCN2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000043614237 1079787853 /nfs/dbraw/zinc/78/78/53/1079787853.db2.gz XGFJGPGYNQNUDI-UHFFFAOYSA-N 1 0 405.542 0.283 20 0 HCADRO O=C(NCCC[NH+]1CCCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000043732758 1079789341 /nfs/dbraw/zinc/78/93/41/1079789341.db2.gz CSOZZFOHWBHANS-UHFFFAOYSA-N 1 0 408.524 0.413 20 0 HCADRO C[NH+](C)C1(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCCCC1 ZINC000043737630 1079789259 /nfs/dbraw/zinc/78/92/59/1079789259.db2.gz WODIRWNRHBNMKQ-UHFFFAOYSA-N 1 0 422.551 0.801 20 0 HCADRO O=C(CN1CCN(c2cnccn2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000043754357 1079789281 /nfs/dbraw/zinc/78/92/81/1079789281.db2.gz CVEQDHYXHANDAP-UHFFFAOYSA-N 1 0 402.543 0.750 20 0 HCADRO O=C(NCC[NH+]1CCCCC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000043791277 1079790732 /nfs/dbraw/zinc/79/07/32/1079790732.db2.gz XHXBGYSGGIPIAE-UHFFFAOYSA-N 1 0 410.540 0.993 20 0 HCADRO Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(C(=O)N3CCCC3)CC1)c(=O)n2C ZINC000044074263 1079793346 /nfs/dbraw/zinc/79/33/46/1079793346.db2.gz BLVMEPFNWIMCGJ-UHFFFAOYSA-N 1 0 402.499 0.158 20 0 HCADRO C[NH+](C)Cc1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000044293276 1080025464 /nfs/dbraw/zinc/02/54/64/1080025464.db2.gz BGDRVXBGPLTAKR-UHFFFAOYSA-N 1 0 411.528 0.475 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000044336105 1079794540 /nfs/dbraw/zinc/79/45/40/1079794540.db2.gz LVWLQBMUQJSLMR-GOSISDBHSA-N 1 0 400.589 0.821 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000044336109 1079795176 /nfs/dbraw/zinc/79/51/76/1079795176.db2.gz LVWLQBMUQJSLMR-SFHVURJKSA-N 1 0 400.589 0.821 20 0 HCADRO C[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000044741144 1079797587 /nfs/dbraw/zinc/79/75/87/1079797587.db2.gz RBSOLZQHNHJLTE-GOSISDBHSA-N 1 0 405.587 0.748 20 0 HCADRO C[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000044741147 1079797377 /nfs/dbraw/zinc/79/73/77/1079797377.db2.gz RBSOLZQHNHJLTE-SFHVURJKSA-N 1 0 405.587 0.748 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000045042466 1079799881 /nfs/dbraw/zinc/79/98/81/1079799881.db2.gz DGWQTMGYUJLQMP-UHFFFAOYSA-N 1 0 401.511 0.423 20 0 HCADRO CCC(CC)[C@@H](CNC(=O)NC1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000045406040 1079803009 /nfs/dbraw/zinc/80/30/09/1079803009.db2.gz GXKLWOROKPXKJY-QGZVFWFLSA-N 1 0 404.577 0.847 20 0 HCADRO CCC(CC)[C@H](CNC(=O)NC1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000045406042 1079802888 /nfs/dbraw/zinc/80/28/88/1079802888.db2.gz GXKLWOROKPXKJY-KRWDZBQOSA-N 1 0 404.577 0.847 20 0 HCADRO CC(C)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000045462428 1079803845 /nfs/dbraw/zinc/80/38/45/1079803845.db2.gz VPFYMDRDSGEDGV-UHFFFAOYSA-N 1 0 417.576 0.011 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NCCC(=O)N3CCOCC3)cc2)CC1 ZINC000045482212 1079803791 /nfs/dbraw/zinc/80/37/91/1079803791.db2.gz QKAUJZFSWPKHKO-UHFFFAOYSA-N 1 0 417.554 0.872 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1ccsc1 ZINC000045497247 1079804300 /nfs/dbraw/zinc/80/43/00/1079804300.db2.gz OOLXXECYMTVBJU-NSHDSACASA-N 1 0 401.286 0.780 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1ccsc1 ZINC000045497249 1079804312 /nfs/dbraw/zinc/80/43/12/1079804312.db2.gz OOLXXECYMTVBJU-LLVKDONJSA-N 1 0 401.286 0.780 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000045543839 1079804167 /nfs/dbraw/zinc/80/41/67/1079804167.db2.gz KIXPRXHEQHPKSC-QGZVFWFLSA-N 1 0 415.538 0.812 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000045543841 1079804342 /nfs/dbraw/zinc/80/43/42/1079804342.db2.gz KIXPRXHEQHPKSC-KRWDZBQOSA-N 1 0 415.538 0.812 20 0 HCADRO CCS(=O)(=O)N1CCC(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000045563510 1079804685 /nfs/dbraw/zinc/80/46/85/1079804685.db2.gz OCWDBMCWXNNCAV-UHFFFAOYSA-N 1 0 402.561 0.554 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000045563575 1079804781 /nfs/dbraw/zinc/80/47/81/1079804781.db2.gz WQWBQHVWAPNYKL-UHFFFAOYSA-N 1 0 403.593 0.517 20 0 HCADRO CS(=O)(=O)N1CCC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000045736694 1079807741 /nfs/dbraw/zinc/80/77/41/1079807741.db2.gz QREHJXITKBCFGF-UHFFFAOYSA-N 1 0 412.531 0.832 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)NCCCC[NH+]2CCN(CC)CC2)CC1 ZINC000045741120 1079807811 /nfs/dbraw/zinc/80/78/11/1079807811.db2.gz RSMNHGURUHRFKM-UHFFFAOYSA-N 1 0 417.620 0.908 20 0 HCADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000045754050 1079807783 /nfs/dbraw/zinc/80/77/83/1079807783.db2.gz WOYSBADHHBUUDH-UHFFFAOYSA-N 1 0 414.510 0.178 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000045754654 1079807861 /nfs/dbraw/zinc/80/78/61/1079807861.db2.gz SCKXAISAOAPHST-UHFFFAOYSA-N 1 0 416.526 0.424 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000045756283 1079807909 /nfs/dbraw/zinc/80/79/09/1079807909.db2.gz UITFFVVXHYNLIG-UHFFFAOYSA-N 1 0 402.543 0.898 20 0 HCADRO O=C(CN1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1)N1CCCC1 ZINC000045756287 1079808217 /nfs/dbraw/zinc/80/82/17/1079808217.db2.gz SDIVBZYXNGKDPS-UHFFFAOYSA-N 1 0 414.554 0.996 20 0 HCADRO O=C(CN1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1)NC1CC1 ZINC000045756310 1079808175 /nfs/dbraw/zinc/80/81/75/1079808175.db2.gz KUCKFCHEFAOOIG-UHFFFAOYSA-N 1 0 400.527 0.652 20 0 HCADRO Cn1c2ncn(CCC(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000045774992 1079808194 /nfs/dbraw/zinc/80/81/94/1079808194.db2.gz RGFFANACTJBKLS-HNNXBMFYSA-N 1 0 404.515 0.451 20 0 HCADRO Cn1c2ncn(CCC(=O)NC[C@H](C3CCCCC3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000045774993 1079808266 /nfs/dbraw/zinc/80/82/66/1079808266.db2.gz RGFFANACTJBKLS-OAHLLOKOSA-N 1 0 404.515 0.451 20 0 HCADRO CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000045781543 1079808556 /nfs/dbraw/zinc/80/85/56/1079808556.db2.gz ITBYZOMPPKDJHX-UHFFFAOYSA-N 1 0 416.570 0.397 20 0 HCADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000045782165 1079808690 /nfs/dbraw/zinc/80/86/90/1079808690.db2.gz BPSINGUQLUNCRJ-UHFFFAOYSA-N 1 0 409.556 0.221 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000045793749 1079808543 /nfs/dbraw/zinc/80/85/43/1079808543.db2.gz POTRFTYZZARHDH-UHFFFAOYSA-N 1 0 417.510 0.259 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000045793913 1079808590 /nfs/dbraw/zinc/80/85/90/1079808590.db2.gz GAZPISMMLKPXJM-UHFFFAOYSA-N 1 0 419.526 0.505 20 0 HCADRO O=C(CC[NH+]1CCC(C(=O)N2CCOCC2)CC1)N1CCN(c2ccccn2)CC1 ZINC000045802737 1079808649 /nfs/dbraw/zinc/80/86/49/1079808649.db2.gz JWQXBHLUJRZWAM-UHFFFAOYSA-N 1 0 415.538 0.691 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000045803696 1079808683 /nfs/dbraw/zinc/80/86/83/1079808683.db2.gz MISWIOZUTAZAKH-UHFFFAOYSA-N 1 0 405.543 0.979 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000045803855 1079808596 /nfs/dbraw/zinc/80/85/96/1079808596.db2.gz APFFXBAIWLSJQP-UHFFFAOYSA-N 1 0 403.527 0.733 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000045813518 1079809433 /nfs/dbraw/zinc/80/94/33/1079809433.db2.gz ZFLJVYGZHDWROS-UHFFFAOYSA-N 1 0 417.510 0.259 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000045813753 1079809415 /nfs/dbraw/zinc/80/94/15/1079809415.db2.gz AFUCHTDYJJYOIB-UHFFFAOYSA-N 1 0 419.526 0.505 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000045815190 1079809512 /nfs/dbraw/zinc/80/95/12/1079809512.db2.gz WRICRIYVRGLGFW-UHFFFAOYSA-N 1 0 405.543 0.979 20 0 HCADRO CC(C)C[NH+]1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000045844000 1079809723 /nfs/dbraw/zinc/80/97/23/1079809723.db2.gz IIQSCALCBUMINR-UHFFFAOYSA-N 1 0 401.511 0.742 20 0 HCADRO CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000045844024 1079809800 /nfs/dbraw/zinc/80/98/00/1079809800.db2.gz DCZPAJJXLQALLE-UHFFFAOYSA-N 1 0 403.527 0.988 20 0 HCADRO CC1CC[NH+](CCNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000045844190 1079809761 /nfs/dbraw/zinc/80/97/61/1079809761.db2.gz GNENUGAKPPDHBD-UHFFFAOYSA-N 1 0 401.511 0.790 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000045844191 1079809806 /nfs/dbraw/zinc/80/98/06/1079809806.db2.gz TUJNEVQZECYYKN-MRXNPFEDSA-N 1 0 401.511 0.790 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000045844192 1079809779 /nfs/dbraw/zinc/80/97/79/1079809779.db2.gz TUJNEVQZECYYKN-INIZCTEOSA-N 1 0 401.511 0.790 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000045844210 1079809738 /nfs/dbraw/zinc/80/97/38/1079809738.db2.gz ZGKUALOFXONQLA-MRXNPFEDSA-N 1 0 401.511 0.932 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000045844211 1079809773 /nfs/dbraw/zinc/80/97/73/1079809773.db2.gz ZGKUALOFXONQLA-INIZCTEOSA-N 1 0 401.511 0.932 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000045844244 1079810110 /nfs/dbraw/zinc/81/01/10/1079810110.db2.gz LCQUOLJSIBCBFB-UHFFFAOYSA-N 1 0 417.510 0.170 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000045846382 1079810584 /nfs/dbraw/zinc/81/05/84/1079810584.db2.gz UDSMSZROELMLRZ-UHFFFAOYSA-N 1 0 417.558 0.185 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccn2)CC1 ZINC000045846450 1079810438 /nfs/dbraw/zinc/81/04/38/1079810438.db2.gz FKIXBWZJOKXYEG-UHFFFAOYSA-N 1 0 404.496 0.803 20 0 HCADRO CCN1CCN(CC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)C(=O)C1=O ZINC000045859064 1079810539 /nfs/dbraw/zinc/81/05/39/1079810539.db2.gz UNIQTCSIWVMBLH-KRWDZBQOSA-N 1 0 402.495 0.639 20 0 HCADRO CCN1CCN(CC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)C(=O)C1=O ZINC000045859066 1079810468 /nfs/dbraw/zinc/81/04/68/1079810468.db2.gz UNIQTCSIWVMBLH-QGZVFWFLSA-N 1 0 402.495 0.639 20 0 HCADRO CCN1CCN(CC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)C(=O)C1=O ZINC000045878804 1079811759 /nfs/dbraw/zinc/81/17/59/1079811759.db2.gz ONYKWGVVSPKFQF-SFHVURJKSA-N 1 0 404.511 0.885 20 0 HCADRO CCN1CCN(CC(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)C(=O)C1=O ZINC000045878807 1079811722 /nfs/dbraw/zinc/81/17/22/1079811722.db2.gz ONYKWGVVSPKFQF-GOSISDBHSA-N 1 0 404.511 0.885 20 0 HCADRO CC[NH+]1CCC(N(C)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000045907018 1079811745 /nfs/dbraw/zinc/81/17/45/1079811745.db2.gz WZLQKUNUWLQZHY-UHFFFAOYSA-N 1 0 408.524 0.363 20 0 HCADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000045976883 1079813203 /nfs/dbraw/zinc/81/32/03/1079813203.db2.gz HCTPUVHWSSSLEV-UHFFFAOYSA-N 1 0 413.522 0.915 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000046036103 1079814390 /nfs/dbraw/zinc/81/43/90/1079814390.db2.gz QDDKYDIVHGMCAO-CALCHBBNSA-N 1 0 416.588 0.655 20 0 HCADRO C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000046036104 1079814376 /nfs/dbraw/zinc/81/43/76/1079814376.db2.gz QDDKYDIVHGMCAO-IRXDYDNUSA-N 1 0 416.588 0.655 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000046036105 1079814332 /nfs/dbraw/zinc/81/43/32/1079814332.db2.gz QDDKYDIVHGMCAO-IAGOWNOFSA-N 1 0 416.588 0.655 20 0 HCADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000046054868 1079814806 /nfs/dbraw/zinc/81/48/06/1079814806.db2.gz FYNADSJBSOJXHG-PKOBYXMFSA-N 1 0 405.495 0.956 20 0 HCADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000046054869 1079814920 /nfs/dbraw/zinc/81/49/20/1079814920.db2.gz FYNADSJBSOJXHG-HKUYNNGSSA-N 1 0 405.495 0.956 20 0 HCADRO COCCCN(C(=O)C[N@H+](C)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000046060353 1079814952 /nfs/dbraw/zinc/81/49/52/1079814952.db2.gz HUGBHGQQCNXWMA-UHFFFAOYSA-N 1 0 415.494 0.631 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000046068591 1079815322 /nfs/dbraw/zinc/81/53/22/1079815322.db2.gz RFOSUPSVBJXZTA-OAQYLSRUSA-N 1 0 416.566 0.846 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000046068594 1079815443 /nfs/dbraw/zinc/81/54/43/1079815443.db2.gz RFOSUPSVBJXZTA-NRFANRHFSA-N 1 0 416.566 0.846 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCN(C(=O)COC)CC3)cc2)CC1 ZINC000046120955 1079815342 /nfs/dbraw/zinc/81/53/42/1079815342.db2.gz FKLVNOOZWWRRKZ-UHFFFAOYSA-N 1 0 417.554 0.824 20 0 HCADRO CC(C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000046254172 1079818823 /nfs/dbraw/zinc/81/88/23/1079818823.db2.gz LRDMPKWTSWDHAD-SFHVURJKSA-N 1 0 407.559 0.875 20 0 HCADRO CC(C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000046254174 1079818849 /nfs/dbraw/zinc/81/88/49/1079818849.db2.gz LRDMPKWTSWDHAD-GOSISDBHSA-N 1 0 407.559 0.875 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000046279992 1079819918 /nfs/dbraw/zinc/81/99/18/1079819918.db2.gz CIWRQBOOQMFCGI-CYBMUJFWSA-N 1 0 415.516 0.125 20 0 HCADRO O=C(CN1CCOCC1)N1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000046281016 1079819847 /nfs/dbraw/zinc/81/98/47/1079819847.db2.gz BXYGZACAKKNNAE-UHFFFAOYSA-N 1 0 415.538 0.231 20 0 HCADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000046281074 1079819957 /nfs/dbraw/zinc/81/99/57/1079819957.db2.gz LHBXAGFBZYRHQZ-UHFFFAOYSA-N 1 0 413.522 0.521 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C1CCCCC1 ZINC000046312813 1079820016 /nfs/dbraw/zinc/82/00/16/1079820016.db2.gz RTJUSTYMQHSRLW-SFHVURJKSA-N 1 0 407.559 0.973 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C1CCCCC1 ZINC000046312815 1079819899 /nfs/dbraw/zinc/81/98/99/1079819899.db2.gz RTJUSTYMQHSRLW-GOSISDBHSA-N 1 0 407.559 0.973 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C1CCCCC1 ZINC000046312848 1079819998 /nfs/dbraw/zinc/81/99/98/1079819998.db2.gz QZPMATSMSNMHLA-IBGZPJMESA-N 1 0 409.575 0.683 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C1CCCCC1 ZINC000046312850 1079819911 /nfs/dbraw/zinc/81/99/11/1079819911.db2.gz QZPMATSMSNMHLA-LJQANCHMSA-N 1 0 409.575 0.683 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000046338395 1079820521 /nfs/dbraw/zinc/82/05/21/1079820521.db2.gz KQYPDCOKWYTROX-SJORKVTESA-N 1 0 417.576 0.154 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000046338396 1079820597 /nfs/dbraw/zinc/82/05/97/1079820597.db2.gz KQYPDCOKWYTROX-IRXDYDNUSA-N 1 0 417.576 0.154 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccsc1 ZINC000046345963 1079820576 /nfs/dbraw/zinc/82/05/76/1079820576.db2.gz VIXGSZSPINFFFI-INIZCTEOSA-N 1 0 407.540 0.827 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccsc1 ZINC000046345965 1079820648 /nfs/dbraw/zinc/82/06/48/1079820648.db2.gz VIXGSZSPINFFFI-MRXNPFEDSA-N 1 0 407.540 0.827 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccsc1 ZINC000046346015 1079820672 /nfs/dbraw/zinc/82/06/72/1079820672.db2.gz BSFDRVYBIQLQCK-KRWDZBQOSA-N 1 0 409.556 0.537 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccsc1 ZINC000046346017 1079821124 /nfs/dbraw/zinc/82/11/24/1079821124.db2.gz BSFDRVYBIQLQCK-QGZVFWFLSA-N 1 0 409.556 0.537 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046365450 1079820965 /nfs/dbraw/zinc/82/09/65/1079820965.db2.gz URPFUNGEGGCRKP-SJORKVTESA-N 1 0 417.576 0.011 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000046365452 1079821230 /nfs/dbraw/zinc/82/12/30/1079821230.db2.gz URPFUNGEGGCRKP-IRXDYDNUSA-N 1 0 417.576 0.011 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)CCCN2C(=O)CNC2=O)[C@H](c2ccccc2)C1 ZINC000046388270 1079821170 /nfs/dbraw/zinc/82/11/70/1079821170.db2.gz YCHAWDDPENGCOQ-SFHVURJKSA-N 1 0 401.511 0.813 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)Cn2nc3ccccn3c2=O)[C@H](c2ccccc2)C1 ZINC000046388433 1079821145 /nfs/dbraw/zinc/82/11/45/1079821145.db2.gz XYVMWTRKFIDUOX-IBGZPJMESA-N 1 0 408.506 0.991 20 0 HCADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000046428520 1079821798 /nfs/dbraw/zinc/82/17/98/1079821798.db2.gz LKERGCSPYBVHFM-UHFFFAOYSA-N 1 0 413.522 0.567 20 0 HCADRO COCCN(C(=O)C[N@H+](C)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000046601708 1079825591 /nfs/dbraw/zinc/82/55/91/1079825591.db2.gz LOVLTVMVTIPGGG-UHFFFAOYSA-N 1 0 401.467 0.241 20 0 HCADRO COCC(=O)N1CCN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000046635124 1079826752 /nfs/dbraw/zinc/82/67/52/1079826752.db2.gz WNKMMRRSQCGWNV-UHFFFAOYSA-N 1 0 417.554 0.695 20 0 HCADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(OCC[NH+](C)C)cc1)c(=O)n2C ZINC000046721743 1079827854 /nfs/dbraw/zinc/82/78/54/1079827854.db2.gz IZDLYOQFLJGAIW-UHFFFAOYSA-N 1 0 400.439 0.013 20 0 HCADRO Cn1c2ncn(CC(=O)Nc3ccc(OCC[NH+](C)C)cc3)c2c(=O)n(C)c1=O ZINC000046723334 1079827648 /nfs/dbraw/zinc/82/76/48/1079827648.db2.gz IFLQBKNYHNUQQK-UHFFFAOYSA-N 1 0 400.439 0.013 20 0 HCADRO Cn1c2ncn(CCC(=O)Nc3ccc(OCC[NH+](C)C)cc3)c2c(=O)n(C)c1=O ZINC000046723682 1079827762 /nfs/dbraw/zinc/82/77/62/1079827762.db2.gz XSOAQGRHBFPCNI-UHFFFAOYSA-N 1 0 414.466 0.403 20 0 HCADRO CC1CC[NH+](CCCCNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000046737823 1079828700 /nfs/dbraw/zinc/82/87/00/1079828700.db2.gz VJQBAUKUFHQVQV-MRXNPFEDSA-N 1 0 402.561 0.491 20 0 HCADRO CC1CC[NH+](CCCCNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000046737826 1079828813 /nfs/dbraw/zinc/82/88/13/1079828813.db2.gz VJQBAUKUFHQVQV-INIZCTEOSA-N 1 0 402.561 0.491 20 0 HCADRO Cc1cc(NC(=O)CN2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)no1 ZINC000046749922 1079828748 /nfs/dbraw/zinc/82/87/48/1079828748.db2.gz PPTSQZIONZZVNS-UHFFFAOYSA-N 1 0 408.503 0.361 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000046749992 1079828797 /nfs/dbraw/zinc/82/87/97/1079828797.db2.gz KWDHUFMQNJCHDX-UHFFFAOYSA-N 1 0 410.540 0.815 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000046750077 1079828864 /nfs/dbraw/zinc/82/88/64/1079828864.db2.gz UCQFCJJTOBGPKS-UHFFFAOYSA-N 1 0 411.528 0.210 20 0 HCADRO Cn1ncc2c1ncnc2N1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000046750263 1079828779 /nfs/dbraw/zinc/82/87/79/1079828779.db2.gz HOSCOXHVIHWILK-UHFFFAOYSA-N 1 0 402.503 0.307 20 0 HCADRO O=C(CN1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1)NCc1ccccc1 ZINC000046750264 1079828824 /nfs/dbraw/zinc/82/88/24/1079828824.db2.gz SBRALFZASQGJOZ-UHFFFAOYSA-N 1 0 417.554 0.742 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000046750931 1079828837 /nfs/dbraw/zinc/82/88/37/1079828837.db2.gz OHTQTNYREJSQKP-HZPDHXFCSA-N 1 0 402.561 0.634 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000046750932 1079828764 /nfs/dbraw/zinc/82/87/64/1079828764.db2.gz OHTQTNYREJSQKP-JKSUJKDBSA-N 1 0 402.561 0.634 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000046753323 1079828676 /nfs/dbraw/zinc/82/86/76/1079828676.db2.gz CYOXMSZNPJNNGH-UHFFFAOYSA-N 1 0 407.563 0.488 20 0 HCADRO CCCS(=O)(=O)NC1CCN(C(=O)NCCCC[NH+]2CCN(CC)CC2)CC1 ZINC000046753648 1079828646 /nfs/dbraw/zinc/82/86/46/1079828646.db2.gz ZILDXVMNZXIPRK-UHFFFAOYSA-N 1 0 417.620 0.908 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000046757912 1079828713 /nfs/dbraw/zinc/82/87/13/1079828713.db2.gz KQWCHKGXEUNJEU-CALCHBBNSA-N 1 0 407.559 0.877 20 0 HCADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000046757917 1079828819 /nfs/dbraw/zinc/82/88/19/1079828819.db2.gz KQWCHKGXEUNJEU-IRXDYDNUSA-N 1 0 407.559 0.877 20 0 HCADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000046757921 1079828850 /nfs/dbraw/zinc/82/88/50/1079828850.db2.gz KQWCHKGXEUNJEU-IAGOWNOFSA-N 1 0 407.559 0.877 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000046761453 1079829440 /nfs/dbraw/zinc/82/94/40/1079829440.db2.gz FWKJKBSVOMOWBK-IXDOHACOSA-N 1 0 416.588 0.737 20 0 HCADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000046761460 1079829348 /nfs/dbraw/zinc/82/93/48/1079829348.db2.gz FWKJKBSVOMOWBK-BRWVUGGUSA-N 1 0 416.588 0.737 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000046863374 1079831494 /nfs/dbraw/zinc/83/14/94/1079831494.db2.gz RRZVKNHGTUERKR-INIZCTEOSA-N 1 0 412.556 0.727 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000046863377 1079831581 /nfs/dbraw/zinc/83/15/81/1079831581.db2.gz RRZVKNHGTUERKR-MRXNPFEDSA-N 1 0 412.556 0.727 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000046865383 1079831553 /nfs/dbraw/zinc/83/15/53/1079831553.db2.gz VMSYMVVSSJYEHV-MRXNPFEDSA-N 1 0 424.567 1.000 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000046892809 1079833924 /nfs/dbraw/zinc/83/39/24/1079833924.db2.gz ILJVHGLXJXYWGK-UHFFFAOYSA-N 1 0 415.538 0.813 20 0 HCADRO C[NH+](C)Cc1cccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000046926313 1079834966 /nfs/dbraw/zinc/83/49/66/1079834966.db2.gz CFHVNMXYZNMXBF-UHFFFAOYSA-N 1 0 401.511 0.724 20 0 HCADRO C[NH+](C)Cc1cccc(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000046926320 1079834875 /nfs/dbraw/zinc/83/48/75/1079834875.db2.gz GWAUIOTXBIOWIT-UHFFFAOYSA-N 1 0 403.527 0.434 20 0 HCADRO C[NH+]1CCN(Cc2ccc(NC(=O)CSCC(=O)N3CCOCC3)cc2)CC1 ZINC000046933786 1079835050 /nfs/dbraw/zinc/83/50/50/1079835050.db2.gz IQGIZDCXKBTNRG-UHFFFAOYSA-N 1 0 406.552 0.965 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000046940067 1079834991 /nfs/dbraw/zinc/83/49/91/1079834991.db2.gz ZKVYNMKKDFHZKW-HXUWFJFHSA-N 1 0 402.539 0.935 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000046940070 1079835031 /nfs/dbraw/zinc/83/50/31/1079835031.db2.gz ZKVYNMKKDFHZKW-FQEVSTJZSA-N 1 0 402.539 0.935 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000046946918 1079835370 /nfs/dbraw/zinc/83/53/70/1079835370.db2.gz NJHSGFQIXUMMDS-DLBZAZTESA-N 1 0 416.522 0.953 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000046946919 1079835470 /nfs/dbraw/zinc/83/54/70/1079835470.db2.gz NJHSGFQIXUMMDS-IAGOWNOFSA-N 1 0 416.522 0.953 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000046946920 1079835333 /nfs/dbraw/zinc/83/53/33/1079835333.db2.gz NJHSGFQIXUMMDS-IRXDYDNUSA-N 1 0 416.522 0.953 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000046946921 1079835452 /nfs/dbraw/zinc/83/54/52/1079835452.db2.gz NJHSGFQIXUMMDS-SJORKVTESA-N 1 0 416.522 0.953 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000046947078 1079835309 /nfs/dbraw/zinc/83/53/09/1079835309.db2.gz QBCVFGVDFNJVLU-HNNXBMFYSA-N 1 0 412.556 0.701 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000046947079 1079835521 /nfs/dbraw/zinc/83/55/21/1079835521.db2.gz QBCVFGVDFNJVLU-OAHLLOKOSA-N 1 0 412.556 0.701 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)CC1 ZINC000046948380 1079835378 /nfs/dbraw/zinc/83/53/78/1079835378.db2.gz BWGGDGWGYFWESJ-AWEZNQCLSA-N 1 0 408.499 0.324 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)CC1 ZINC000046948381 1079835480 /nfs/dbraw/zinc/83/54/80/1079835480.db2.gz BWGGDGWGYFWESJ-CQSZACIVSA-N 1 0 408.499 0.324 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc(S(=O)(=O)NCCOC)c2)CC1 ZINC000046948684 1079835457 /nfs/dbraw/zinc/83/54/57/1079835457.db2.gz XUIKLJNVZJXZEM-INIZCTEOSA-N 1 0 412.556 0.367 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc(S(=O)(=O)NCCOC)c2)CC1 ZINC000046948685 1079835355 /nfs/dbraw/zinc/83/53/55/1079835355.db2.gz XUIKLJNVZJXZEM-MRXNPFEDSA-N 1 0 412.556 0.367 20 0 HCADRO CC1CC[NH+](CCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000046956292 1079836087 /nfs/dbraw/zinc/83/60/87/1079836087.db2.gz QYAKLXFBRMVVBV-UHFFFAOYSA-N 1 0 408.524 0.269 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000046990196 1079838161 /nfs/dbraw/zinc/83/81/61/1079838161.db2.gz MOQVDSAKEMDNPZ-OAHLLOKOSA-N 1 0 404.515 0.595 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000046990197 1079838890 /nfs/dbraw/zinc/83/88/90/1079838890.db2.gz MOQVDSAKEMDNPZ-HNNXBMFYSA-N 1 0 404.515 0.595 20 0 HCADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000046992254 1079838725 /nfs/dbraw/zinc/83/87/25/1079838725.db2.gz XPCGMBWUYSYCGY-OAHLLOKOSA-N 1 0 404.515 0.452 20 0 HCADRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000046992255 1079838845 /nfs/dbraw/zinc/83/88/45/1079838845.db2.gz XPCGMBWUYSYCGY-HNNXBMFYSA-N 1 0 404.515 0.452 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000046994943 1079838699 /nfs/dbraw/zinc/83/86/99/1079838699.db2.gz KMQASWOSPKKDAF-DLBZAZTESA-N 1 0 410.540 0.622 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000047003859 1079838794 /nfs/dbraw/zinc/83/87/94/1079838794.db2.gz HUIATDMPPZPWSQ-INIZCTEOSA-N 1 0 413.522 0.566 20 0 HCADRO C[C@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000047003861 1079838776 /nfs/dbraw/zinc/83/87/76/1079838776.db2.gz HUIATDMPPZPWSQ-MRXNPFEDSA-N 1 0 413.522 0.566 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000047039689 1079839300 /nfs/dbraw/zinc/83/93/00/1079839300.db2.gz IZEPVSZIOUGTDO-IYBDPMFKSA-N 1 0 418.542 0.698 20 0 HCADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047071585 1079839241 /nfs/dbraw/zinc/83/92/41/1079839241.db2.gz LMVJRDWQJRSOSI-HXUWFJFHSA-N 1 0 412.600 0.948 20 0 HCADRO O=C(NC[C@@]1(N2CCOCC2)CCSC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047071586 1079839190 /nfs/dbraw/zinc/83/91/90/1079839190.db2.gz LMVJRDWQJRSOSI-FQEVSTJZSA-N 1 0 412.600 0.948 20 0 HCADRO COc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000047140207 1079840448 /nfs/dbraw/zinc/84/04/48/1079840448.db2.gz WYBMYMOGKHFMOU-UHFFFAOYSA-N 1 0 411.524 0.932 20 0 HCADRO O=C(NCCCn1nc2n(c1=O)CCCC2)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047160917 1079840956 /nfs/dbraw/zinc/84/09/56/1079840956.db2.gz AZWMBBWCQKRJDT-UHFFFAOYSA-N 1 0 406.531 0.525 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000047214512 1079841972 /nfs/dbraw/zinc/84/19/72/1079841972.db2.gz OAPCRACQQPILCA-UHFFFAOYSA-N 1 0 417.553 0.611 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccco1 ZINC000047350577 1079843113 /nfs/dbraw/zinc/84/31/13/1079843113.db2.gz ONZSBSZTPMYNQP-ZDUSSCGKSA-N 1 0 402.455 0.226 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccco1 ZINC000047350579 1079843123 /nfs/dbraw/zinc/84/31/23/1079843123.db2.gz ONZSBSZTPMYNQP-CYBMUJFWSA-N 1 0 402.455 0.226 20 0 HCADRO CNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000047398383 1079844115 /nfs/dbraw/zinc/84/41/15/1079844115.db2.gz DNVGNROXIPXNGC-UHFFFAOYSA-N 1 0 403.508 0.672 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)CCn3nnc4ccccc4c3=O)ccn2)CC1 ZINC000047398401 1079844174 /nfs/dbraw/zinc/84/41/74/1079844174.db2.gz YHZZOGKXVFNDIO-UHFFFAOYSA-N 1 0 407.478 0.645 20 0 HCADRO Cn1c(=O)c2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cn3)cnc2n(C)c1=O ZINC000047553054 1079846515 /nfs/dbraw/zinc/84/65/15/1079846515.db2.gz MSJKJEGHXSJXDD-UHFFFAOYSA-N 1 0 409.450 0.031 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000047630012 1079848033 /nfs/dbraw/zinc/84/80/33/1079848033.db2.gz JWQSOBPRHUAZCJ-ZWKOTPCHSA-N 1 0 408.543 0.722 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000047630014 1079848141 /nfs/dbraw/zinc/84/81/41/1079848141.db2.gz JWQSOBPRHUAZCJ-QZTJIDSGSA-N 1 0 408.543 0.722 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000047630016 1079848082 /nfs/dbraw/zinc/84/80/82/1079848082.db2.gz JWQSOBPRHUAZCJ-ROUUACIJSA-N 1 0 408.543 0.722 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000047630018 1079848051 /nfs/dbraw/zinc/84/80/51/1079848051.db2.gz JWQSOBPRHUAZCJ-MSOLQXFVSA-N 1 0 408.543 0.722 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000047630022 1079848175 /nfs/dbraw/zinc/84/81/75/1079848175.db2.gz WVBWJUQBFGGMGU-ZWKOTPCHSA-N 1 0 408.543 0.674 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000047630024 1079848089 /nfs/dbraw/zinc/84/80/89/1079848089.db2.gz WVBWJUQBFGGMGU-QZTJIDSGSA-N 1 0 408.543 0.674 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000047630026 1079848717 /nfs/dbraw/zinc/84/87/17/1079848717.db2.gz WVBWJUQBFGGMGU-ROUUACIJSA-N 1 0 408.543 0.674 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000047630028 1079848673 /nfs/dbraw/zinc/84/86/73/1079848673.db2.gz WVBWJUQBFGGMGU-MSOLQXFVSA-N 1 0 408.543 0.674 20 0 HCADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000047630609 1079848577 /nfs/dbraw/zinc/84/85/77/1079848577.db2.gz MCKQCODYRKFXRY-QZTJIDSGSA-N 1 0 407.536 0.612 20 0 HCADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000047630611 1079848641 /nfs/dbraw/zinc/84/86/41/1079848641.db2.gz MCKQCODYRKFXRY-ZWKOTPCHSA-N 1 0 407.536 0.612 20 0 HCADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000047630613 1079848597 /nfs/dbraw/zinc/84/85/97/1079848597.db2.gz MCKQCODYRKFXRY-MSOLQXFVSA-N 1 0 407.536 0.612 20 0 HCADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000047630616 1079848659 /nfs/dbraw/zinc/84/86/59/1079848659.db2.gz MCKQCODYRKFXRY-ROUUACIJSA-N 1 0 407.536 0.612 20 0 HCADRO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000047964584 1080060705 /nfs/dbraw/zinc/06/07/05/1080060705.db2.gz MUHWFARQGDVQLE-LJQANCHMSA-N 1 0 402.539 0.991 20 0 HCADRO COCCN(C(=O)CN1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000047971295 1080061263 /nfs/dbraw/zinc/06/12/63/1080061263.db2.gz RAXTUDYHXQEUBO-GOSISDBHSA-N 1 0 401.573 0.456 20 0 HCADRO CCS(=O)(=O)NCCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000051189171 1080035402 /nfs/dbraw/zinc/03/54/02/1080035402.db2.gz GBTXDDXRFNGWRZ-GFCCVEGCSA-N 1 0 412.965 0.624 20 0 HCADRO CCS(=O)(=O)NCCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000051189172 1080035593 /nfs/dbraw/zinc/03/55/93/1080035593.db2.gz GBTXDDXRFNGWRZ-LBPRGKRZSA-N 1 0 412.965 0.624 20 0 HCADRO COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)C[NH+](C)C)CC3)CC2)cc1 ZINC000051760571 1080041667 /nfs/dbraw/zinc/04/16/67/1080041667.db2.gz CEIGOMPPUKAPAN-UHFFFAOYSA-N 1 0 403.527 0.050 20 0 HCADRO CC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000051812339 1080043152 /nfs/dbraw/zinc/04/31/52/1080043152.db2.gz CZXPTBOYDPUOQZ-UHFFFAOYSA-N 1 0 401.511 0.894 20 0 HCADRO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000052077108 1080047612 /nfs/dbraw/zinc/04/76/12/1080047612.db2.gz YCWPBWALWKVBOE-UHFFFAOYSA-N 1 0 409.468 0.875 20 0 HCADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000052590164 1080053338 /nfs/dbraw/zinc/05/33/38/1080053338.db2.gz QWRAQLOZMANRDC-OAHLLOKOSA-N 1 0 411.528 0.755 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 ZINC000052654496 1080054506 /nfs/dbraw/zinc/05/45/06/1080054506.db2.gz NKAYNGWTPDBGDZ-UHFFFAOYSA-N 1 0 403.483 0.331 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 ZINC000052658114 1080054278 /nfs/dbraw/zinc/05/42/78/1080054278.db2.gz PZUSYLZHSTZEOH-UHFFFAOYSA-N 1 0 417.510 0.720 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052931769 1080056873 /nfs/dbraw/zinc/05/68/73/1080056873.db2.gz IUKSRUJZFJYBNG-WMZOPIPTSA-N 1 0 400.527 0.752 20 0 HCADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000053007169 571046182 /nfs/dbraw/zinc/04/61/82/571046182.db2.gz KKLJGAZXRLWHMB-UFYCRDLUSA-N 1 0 424.501 0.466 20 0 HCADRO CC(C)CN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC[NH+](C)CC1 ZINC000053222824 1080060143 /nfs/dbraw/zinc/06/01/43/1080060143.db2.gz RXODOBPFIOLLDH-MRXNPFEDSA-N 1 0 412.556 0.731 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)cc2)CC1 ZINC000053238462 1080060643 /nfs/dbraw/zinc/06/06/43/1080060643.db2.gz YBAYLPOBTGJSCM-UHFFFAOYSA-N 1 0 413.522 0.758 20 0 HCADRO C[N@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)Cc1ccccc1 ZINC000053349396 1077324212 /nfs/dbraw/zinc/32/42/12/1077324212.db2.gz VONMLKMITACCIX-UHFFFAOYSA-N 1 0 406.508 0.897 20 0 HCADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000053403806 1077676999 /nfs/dbraw/zinc/67/69/99/1077676999.db2.gz STYVZSPQLWZFEN-LLVKDONJSA-N 1 0 401.305 0.926 20 0 HCADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000053403807 1077676844 /nfs/dbraw/zinc/67/68/44/1077676844.db2.gz STYVZSPQLWZFEN-NSHDSACASA-N 1 0 401.305 0.926 20 0 HCADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000053404637 1077674319 /nfs/dbraw/zinc/67/43/19/1077674319.db2.gz NWZUKYWCNYPNDC-CQSZACIVSA-N 1 0 404.515 0.451 20 0 HCADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000053404639 1077674367 /nfs/dbraw/zinc/67/43/67/1077674367.db2.gz NWZUKYWCNYPNDC-AWEZNQCLSA-N 1 0 404.515 0.451 20 0 HCADRO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCCC[NH+]1CCOCC1 ZINC000053449857 1077770240 /nfs/dbraw/zinc/77/02/40/1077770240.db2.gz DMFKDUNSVXBKSY-UHFFFAOYSA-N 1 0 405.467 0.862 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000053450797 1080061546 /nfs/dbraw/zinc/06/15/46/1080061546.db2.gz BBOCJWQAYRLGMA-UHFFFAOYSA-N 1 0 407.492 0.836 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000053535171 1077818362 /nfs/dbraw/zinc/81/83/62/1077818362.db2.gz QAZBHOAJZNCSQS-INIZCTEOSA-N 1 0 405.499 0.795 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000053535175 1077818421 /nfs/dbraw/zinc/81/84/21/1077818421.db2.gz QAZBHOAJZNCSQS-MRXNPFEDSA-N 1 0 405.499 0.795 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000053537436 1077818357 /nfs/dbraw/zinc/81/83/57/1077818357.db2.gz JOLOLWWGTZUTRD-GOSISDBHSA-N 1 0 403.527 0.538 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000053537439 1077818332 /nfs/dbraw/zinc/81/83/32/1077818332.db2.gz JOLOLWWGTZUTRD-SFHVURJKSA-N 1 0 403.527 0.538 20 0 HCADRO COc1cccc([C@H](CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)[NH+](C)C)c1 ZINC000053540086 1077644003 /nfs/dbraw/zinc/64/40/03/1077644003.db2.gz GSNLSFTXQFDXLR-IBGZPJMESA-N 1 0 403.527 0.904 20 0 HCADRO COc1cccc([C@@H](CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)[NH+](C)C)c1 ZINC000053540090 1077644154 /nfs/dbraw/zinc/64/41/54/1077644154.db2.gz GSNLSFTXQFDXLR-LJQANCHMSA-N 1 0 403.527 0.904 20 0 HCADRO 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BFTKEJMNFMPDHV-KRWDZBQOSA-N 1 0 417.510 0.570 20 0 HCADRO O=C(Nc1cccnc1N1CCOCC1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000054877002 1079564630 /nfs/dbraw/zinc/56/46/30/1079564630.db2.gz BFTKEJMNFMPDHV-QGZVFWFLSA-N 1 0 417.510 0.570 20 0 HCADRO O=C(Nc1cccnc1N1CCOCC1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000054877391 1078020036 /nfs/dbraw/zinc/02/00/36/1078020036.db2.gz QIDDLEQUNRTPQX-UHFFFAOYSA-N 1 0 417.510 0.428 20 0 HCADRO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000054887186 1078020636 /nfs/dbraw/zinc/02/06/36/1078020636.db2.gz KDZOKJWPDMTTTN-HNNXBMFYSA-N 1 0 404.467 0.914 20 0 HCADRO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000054887187 1078020469 /nfs/dbraw/zinc/02/04/69/1078020469.db2.gz KDZOKJWPDMTTTN-OAHLLOKOSA-N 1 0 404.467 0.914 20 0 HCADRO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000054887208 1078020677 /nfs/dbraw/zinc/02/06/77/1078020677.db2.gz SGCGAHQIGNFXLO-KRWDZBQOSA-N 1 0 418.494 0.135 20 0 HCADRO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000054887209 1078020438 /nfs/dbraw/zinc/02/04/38/1078020438.db2.gz SGCGAHQIGNFXLO-QGZVFWFLSA-N 1 0 418.494 0.135 20 0 HCADRO CCCN1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000054943248 1078022241 /nfs/dbraw/zinc/02/22/41/1078022241.db2.gz GOKXBERYXQLAJB-UHFFFAOYSA-N 1 0 415.538 0.877 20 0 HCADRO NC(=O)CN1CCN(CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000054978205 1078021113 /nfs/dbraw/zinc/02/11/13/1078021113.db2.gz XVZIEKTUDGGDFD-UHFFFAOYSA-N 1 0 409.534 0.587 20 0 HCADRO COc1ccc([C@@H](CNC(=O)CN2CCN(CC(N)=O)CC2)[NH+]2CCCCC2)cc1 ZINC000054978637 1078020952 /nfs/dbraw/zinc/02/09/52/1078020952.db2.gz ZPKSTDSFKKBCNK-HXUWFJFHSA-N 1 0 417.554 0.441 20 0 HCADRO COc1ccc([C@H](CNC(=O)CN2CCN(CC(N)=O)CC2)[NH+]2CCCCC2)cc1 ZINC000054978638 1078021097 /nfs/dbraw/zinc/02/10/97/1078021097.db2.gz ZPKSTDSFKKBCNK-FQEVSTJZSA-N 1 0 417.554 0.441 20 0 HCADRO O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)N1CCN(c2ccccn2)CC1 ZINC000054984138 1078021045 /nfs/dbraw/zinc/02/10/45/1078021045.db2.gz MVIMHKGAPBRSEK-IBGZPJMESA-N 1 0 415.538 0.691 20 0 HCADRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCN(c2ccccn2)CC1 ZINC000054984140 1078021005 /nfs/dbraw/zinc/02/10/05/1078021005.db2.gz MVIMHKGAPBRSEK-LJQANCHMSA-N 1 0 415.538 0.691 20 0 HCADRO COCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000054984306 1078021210 /nfs/dbraw/zinc/02/12/10/1078021210.db2.gz VUEUMXZFVNWZMM-IBGZPJMESA-N 1 0 419.522 0.899 20 0 HCADRO COCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000054984308 1078021371 /nfs/dbraw/zinc/02/13/71/1078021371.db2.gz VUEUMXZFVNWZMM-LJQANCHMSA-N 1 0 419.522 0.899 20 0 HCADRO COCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000054984355 1078021495 /nfs/dbraw/zinc/02/14/95/1078021495.db2.gz VCNKUXBIVAUGHO-IBGZPJMESA-N 1 0 419.522 0.899 20 0 HCADRO COCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000054984357 1078021297 /nfs/dbraw/zinc/02/12/97/1078021297.db2.gz VCNKUXBIVAUGHO-LJQANCHMSA-N 1 0 419.522 0.899 20 0 HCADRO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)NCCOc1ccc2c(c1)OCO2 ZINC000054984442 1078021187 /nfs/dbraw/zinc/02/11/87/1078021187.db2.gz NQAVXIUGKKGEEP-MRXNPFEDSA-N 1 0 419.478 0.481 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000054992956 1078021413 /nfs/dbraw/zinc/02/14/13/1078021413.db2.gz OXVREPKKUSIEPC-UHFFFAOYSA-N 1 0 401.555 0.427 20 0 HCADRO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000054994300 1078021741 /nfs/dbraw/zinc/02/17/41/1078021741.db2.gz PQNBJJAHLLKEPC-AEFFLSMTSA-N 1 0 409.527 0.747 20 0 HCADRO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000054994301 1078021650 /nfs/dbraw/zinc/02/16/50/1078021650.db2.gz PQNBJJAHLLKEPC-WMZOPIPTSA-N 1 0 409.527 0.747 20 0 HCADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000054994372 1078021667 /nfs/dbraw/zinc/02/16/67/1078021667.db2.gz MLYUWZQYDMVMAR-ZWKOTPCHSA-N 1 0 406.479 0.784 20 0 HCADRO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000054994373 1078021848 /nfs/dbraw/zinc/02/18/48/1078021848.db2.gz MLYUWZQYDMVMAR-ROUUACIJSA-N 1 0 406.479 0.784 20 0 HCADRO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000054994416 1078021803 /nfs/dbraw/zinc/02/18/03/1078021803.db2.gz ZBZPIYRYBJGOSE-NRFANRHFSA-N 1 0 414.550 0.902 20 0 HCADRO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000054994417 1078021678 /nfs/dbraw/zinc/02/16/78/1078021678.db2.gz ZBZPIYRYBJGOSE-OAQYLSRUSA-N 1 0 414.550 0.902 20 0 HCADRO CN(CC(=O)NCCCN1CC[NH+](C)CC1)C(=O)c1ccc(Br)o1 ZINC000055046095 1078023100 /nfs/dbraw/zinc/02/31/00/1078023100.db2.gz MERPETLXEFXZER-UHFFFAOYSA-N 1 0 401.305 0.868 20 0 HCADRO C[N@H+](CCc1ccc(F)cc1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000055059475 1080201083 /nfs/dbraw/zinc/20/10/83/1080201083.db2.gz KKFSFACTQCMTOQ-UHFFFAOYSA-N 1 0 406.502 0.303 20 0 HCADRO CN(CC(=O)NCCN1CC[NH+](C)CC1)C(=O)c1ccc(Br)s1 ZINC000055095491 1078022658 /nfs/dbraw/zinc/02/26/58/1078022658.db2.gz ZLCPFIMXEHTFEW-UHFFFAOYSA-N 1 0 403.346 0.946 20 0 HCADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)C3CC[NH+](C)CC3)CC2)c1 ZINC000055158984 1078023561 /nfs/dbraw/zinc/02/35/61/1078023561.db2.gz MLUFFZDEECJRSG-UHFFFAOYSA-N 1 0 408.568 0.999 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000055239611 1078024720 /nfs/dbraw/zinc/02/47/20/1078024720.db2.gz FLDCIAWODJNIFU-UHFFFAOYSA-N 1 0 408.293 0.983 20 0 HCADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000055246512 1078024641 /nfs/dbraw/zinc/02/46/41/1078024641.db2.gz CAHLJQLWDHTNQE-UHFFFAOYSA-N 1 0 418.475 0.635 20 0 HCADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000055246733 1080199537 /nfs/dbraw/zinc/19/95/37/1080199537.db2.gz RISCNFSQEDHKRK-UHFFFAOYSA-N 1 0 418.475 0.635 20 0 HCADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)o1 ZINC000055279115 1078025071 /nfs/dbraw/zinc/02/50/71/1078025071.db2.gz HUFPMEZAMVJBFQ-UHFFFAOYSA-N 1 0 406.464 0.870 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)CN2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000055379172 1078026475 /nfs/dbraw/zinc/02/64/75/1078026475.db2.gz BDBQILAEWYTEIY-UHFFFAOYSA-N 1 0 401.555 0.079 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000055538587 1078030166 /nfs/dbraw/zinc/03/01/66/1078030166.db2.gz AUODQRFUWKOALD-MRXNPFEDSA-N 1 0 412.556 0.727 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000055538588 1078030125 /nfs/dbraw/zinc/03/01/25/1078030125.db2.gz AUODQRFUWKOALD-INIZCTEOSA-N 1 0 412.556 0.727 20 0 HCADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000055588279 1078029420 /nfs/dbraw/zinc/02/94/20/1078029420.db2.gz KNOVTKYTNLXWFR-KZULUSFZSA-N 1 0 412.512 0.758 20 0 HCADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000055588281 1078029587 /nfs/dbraw/zinc/02/95/87/1078029587.db2.gz KNOVTKYTNLXWFR-XIKOKIGWSA-N 1 0 412.512 0.758 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000055668334 1078031329 /nfs/dbraw/zinc/03/13/29/1078031329.db2.gz PNRTYDARFUMUAT-UHFFFAOYSA-N 1 0 408.524 0.820 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000055668595 1080213723 /nfs/dbraw/zinc/21/37/23/1080213723.db2.gz LGJFVYJIQDWVCF-UHFFFAOYSA-N 1 0 410.540 0.433 20 0 HCADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000055749522 1078032185 /nfs/dbraw/zinc/03/21/85/1078032185.db2.gz FFXAKPAUPLQFQM-QLFBSQMISA-N 1 0 404.515 0.306 20 0 HCADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000055749524 1078032069 /nfs/dbraw/zinc/03/20/69/1078032069.db2.gz FFXAKPAUPLQFQM-RBSFLKMASA-N 1 0 404.515 0.306 20 0 HCADRO COc1ccccc1[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[NH+]1CCCCC1 ZINC000055752291 1080215401 /nfs/dbraw/zinc/21/54/01/1080215401.db2.gz MCGCJBLTUPRHPP-KRWDZBQOSA-N 1 0 400.479 0.899 20 0 HCADRO COc1ccccc1[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[NH+]1CCCCC1 ZINC000055752292 1080215311 /nfs/dbraw/zinc/21/53/11/1080215311.db2.gz MCGCJBLTUPRHPP-QGZVFWFLSA-N 1 0 400.479 0.899 20 0 HCADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000055757658 1078032082 /nfs/dbraw/zinc/03/20/82/1078032082.db2.gz SDPZUOHCBSHOTR-GRYCIOLGSA-N 1 0 401.305 0.782 20 0 HCADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000055757660 1078032075 /nfs/dbraw/zinc/03/20/75/1078032075.db2.gz SDPZUOHCBSHOTR-IJLUTSLNSA-N 1 0 401.305 0.782 20 0 HCADRO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(=O)[nH]c1=O ZINC000055908436 1080224726 /nfs/dbraw/zinc/22/47/26/1080224726.db2.gz OEIGIEGNYZZQLU-OAHLLOKOSA-N 1 0 404.442 0.794 20 0 HCADRO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(=O)[nH]c1=O ZINC000055908437 1080225217 /nfs/dbraw/zinc/22/52/17/1080225217.db2.gz OEIGIEGNYZZQLU-HNNXBMFYSA-N 1 0 404.442 0.794 20 0 HCADRO Cn1c2ncn(CCC(=O)N3CC[NH+](CCC(C)(C)C)CC3)c2c(=O)n(C)c1=O ZINC000056043283 1078036321 /nfs/dbraw/zinc/03/63/21/1078036321.db2.gz MECVTGHJFONUJV-UHFFFAOYSA-N 1 0 404.515 0.404 20 0 HCADRO CNC(=O)c1cc(S(=O)(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cn1C ZINC000056070256 1078036749 /nfs/dbraw/zinc/03/67/49/1078036749.db2.gz JIUMHTWGAJKIRQ-UHFFFAOYSA-N 1 0 406.512 0.010 20 0 HCADRO Cc1ccc(S(=O)(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1C(N)=O ZINC000056070257 1078036813 /nfs/dbraw/zinc/03/68/13/1078036813.db2.gz OTMVFBNHEGYSGU-UHFFFAOYSA-N 1 0 403.508 0.719 20 0 HCADRO C[NH+]1CCN(c2cc(CNS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccn2)CC1 ZINC000056070265 1080236139 /nfs/dbraw/zinc/23/61/39/1080236139.db2.gz LJVSAPALZJGWGT-UHFFFAOYSA-N 1 0 417.491 0.643 20 0 HCADRO Cn1c2ccc(S(=O)(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc2oc1=O ZINC000056070274 1080236066 /nfs/dbraw/zinc/23/60/66/1080236066.db2.gz JNMXNUVAQVTGCY-UHFFFAOYSA-N 1 0 417.491 0.757 20 0 HCADRO CNC(=O)c1ccc(S(=O)(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000056070291 1080236219 /nfs/dbraw/zinc/23/62/19/1080236219.db2.gz LOABNNXOCGRLFW-UHFFFAOYSA-N 1 0 403.508 0.672 20 0 HCADRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000056093756 1078037688 /nfs/dbraw/zinc/03/76/88/1078037688.db2.gz UZIXJZJHISSGEH-UHFFFAOYSA-N 1 0 406.508 0.335 20 0 HCADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000056096076 1080238662 /nfs/dbraw/zinc/23/86/62/1080238662.db2.gz NAIAFJBLYOSZLE-UHFFFAOYSA-N 1 0 413.521 0.753 20 0 HCADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000056096178 1080238631 /nfs/dbraw/zinc/23/86/31/1080238631.db2.gz KDNITUXQZZXHGR-UHFFFAOYSA-N 1 0 413.521 0.753 20 0 HCADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)o1 ZINC000056124921 1080239467 /nfs/dbraw/zinc/23/94/67/1080239467.db2.gz ABVCPIQAOQHMPX-UHFFFAOYSA-N 1 0 401.510 0.988 20 0 HCADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000056154095 1080241961 /nfs/dbraw/zinc/24/19/61/1080241961.db2.gz WCTKZPWDDQJKRX-NEPJUHHUSA-N 1 0 404.467 0.914 20 0 HCADRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000056154096 1080242065 /nfs/dbraw/zinc/24/20/65/1080242065.db2.gz WCTKZPWDDQJKRX-RYUDHWBXSA-N 1 0 404.467 0.914 20 0 HCADRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000056154097 1080241917 /nfs/dbraw/zinc/24/19/17/1080241917.db2.gz WCTKZPWDDQJKRX-VXGBXAGGSA-N 1 0 404.467 0.914 20 0 HCADRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000056154098 1080242049 /nfs/dbraw/zinc/24/20/49/1080242049.db2.gz WCTKZPWDDQJKRX-NWDGAFQWSA-N 1 0 404.467 0.914 20 0 HCADRO CC[NH+](CC)Cc1cccc(CN[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000056184903 1079848610 /nfs/dbraw/zinc/84/86/10/1079848610.db2.gz JFULZFNDUILLSD-AWEZNQCLSA-N 1 0 401.511 0.869 20 0 HCADRO CC[NH+](CC)Cc1cccc(CN[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000056184904 1079849226 /nfs/dbraw/zinc/84/92/26/1079849226.db2.gz JFULZFNDUILLSD-CQSZACIVSA-N 1 0 401.511 0.869 20 0 HCADRO CN(CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)c1ncnc2nc[nH]c21 ZINC000056203750 1079849358 /nfs/dbraw/zinc/84/93/58/1079849358.db2.gz AJBNFXZFGCJJGI-UHFFFAOYSA-N 1 0 408.510 0.723 20 0 HCADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(CC[NH+]3CCCC3)cc1)c(=O)n2C ZINC000056332058 1079851348 /nfs/dbraw/zinc/85/13/48/1079851348.db2.gz YELFYDMDCXFQSJ-UHFFFAOYSA-N 1 0 410.478 0.711 20 0 HCADRO CC[NH+]1CCN(c2ccccc2NC(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000056384021 1079852096 /nfs/dbraw/zinc/85/20/96/1079852096.db2.gz ZDVLFOVXDHPQIT-UHFFFAOYSA-N 1 0 406.512 0.479 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1 ZINC000056398850 1080078579 /nfs/dbraw/zinc/07/85/79/1080078579.db2.gz JUGMASQVOSFNML-UHFFFAOYSA-N 1 0 409.560 0.926 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1 ZINC000056398884 1080252470 /nfs/dbraw/zinc/25/24/70/1080252470.db2.gz KEZPIDKIIVVCTI-UHFFFAOYSA-N 1 0 416.570 0.980 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC(N4CCNC4=O)CC3)ccn2)CC1 ZINC000056403152 1079852043 /nfs/dbraw/zinc/85/20/43/1079852043.db2.gz MGXYKJIYWXMKQQ-UHFFFAOYSA-N 1 0 401.515 0.533 20 0 HCADRO CCN1CCN(CC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)C(=O)C1=O ZINC000056407232 1079852544 /nfs/dbraw/zinc/85/25/44/1079852544.db2.gz YMOQZRACGZXGRG-UHFFFAOYSA-N 1 0 402.495 0.420 20 0 HCADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000056421781 1080254441 /nfs/dbraw/zinc/25/44/41/1080254441.db2.gz NMGJPKJLFWFJMR-UHFFFAOYSA-N 1 0 410.544 0.180 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000056422185 1080254537 /nfs/dbraw/zinc/25/45/37/1080254537.db2.gz BQEYNAOXVCAEOS-UHFFFAOYSA-N 1 0 416.526 0.424 20 0 HCADRO CCN1CCN(CC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C(=O)C1=O ZINC000056479536 1079853721 /nfs/dbraw/zinc/85/37/21/1079853721.db2.gz JVGCLELSVZOBBZ-UHFFFAOYSA-N 1 0 413.522 0.848 20 0 HCADRO O=C(CN1CCS(=O)(=O)CC1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000056479583 1079853706 /nfs/dbraw/zinc/85/37/06/1079853706.db2.gz YJEIDWNBVUKRDC-UHFFFAOYSA-N 1 0 406.552 0.888 20 0 HCADRO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000056495569 1080257152 /nfs/dbraw/zinc/25/71/52/1080257152.db2.gz WLGCKIDLDMZVGS-QGZVFWFLSA-N 1 0 414.572 0.587 20 0 HCADRO CC(C)COC1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000056507823 1080257701 /nfs/dbraw/zinc/25/77/01/1080257701.db2.gz VBCWLKXJGGUANC-UHFFFAOYSA-N 1 0 410.559 0.126 20 0 HCADRO COCCCNC(=O)C1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000056511605 1079853713 /nfs/dbraw/zinc/85/37/13/1079853713.db2.gz FOISQWXPHBNKNH-UHFFFAOYSA-N 1 0 418.542 0.380 20 0 HCADRO C[NH+](C)CCC1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000056525334 1079854109 /nfs/dbraw/zinc/85/41/09/1079854109.db2.gz LVHPQGMUHHGNCW-MOPGFXCFSA-N 1 0 415.600 0.845 20 0 HCADRO C[NH+](C)CCC1CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000056525336 1079854179 /nfs/dbraw/zinc/85/41/79/1079854179.db2.gz LVHPQGMUHHGNCW-RTBURBONSA-N 1 0 415.600 0.845 20 0 HCADRO C[NH+](C)CCC1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000056525339 1079854064 /nfs/dbraw/zinc/85/40/64/1079854064.db2.gz LVHPQGMUHHGNCW-OALUTQOASA-N 1 0 415.600 0.845 20 0 HCADRO C[NH+](C)CCC1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000056525342 1079854154 /nfs/dbraw/zinc/85/41/54/1079854154.db2.gz LVHPQGMUHHGNCW-RBUKOAKNSA-N 1 0 415.600 0.845 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000056527810 1080258768 /nfs/dbraw/zinc/25/87/68/1080258768.db2.gz BFTOQYUTCQPOIE-UHFFFAOYSA-N 1 0 410.540 0.657 20 0 HCADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000056787719 1080274315 /nfs/dbraw/zinc/27/43/15/1080274315.db2.gz UWLHLKMTOVVMDA-IAGOWNOFSA-N 1 0 417.576 0.011 20 0 HCADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000056787720 1080274182 /nfs/dbraw/zinc/27/41/82/1080274182.db2.gz UWLHLKMTOVVMDA-DLBZAZTESA-N 1 0 417.576 0.011 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)CCNS(=O)(=O)c3ccccc3)ccn2)CC1 ZINC000056792552 1080274817 /nfs/dbraw/zinc/27/48/17/1080274817.db2.gz ODSYPCWZVWREPY-UHFFFAOYSA-N 1 0 417.535 0.818 20 0 HCADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000056792604 1080274723 /nfs/dbraw/zinc/27/47/23/1080274723.db2.gz VLICFPXAERZHKO-UHFFFAOYSA-N 1 0 419.507 0.419 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)ccn2)CC1 ZINC000056792663 1079856990 /nfs/dbraw/zinc/85/69/90/1079856990.db2.gz SKDXDPNUTYNPKF-UHFFFAOYSA-N 1 0 408.462 0.153 20 0 HCADRO Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000056792682 1080274858 /nfs/dbraw/zinc/27/48/58/1080274858.db2.gz BKELREBLHABEOG-UHFFFAOYSA-N 1 0 403.508 0.719 20 0 HCADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000056792691 1080274895 /nfs/dbraw/zinc/27/48/95/1080274895.db2.gz WOYYCZAMAKKNIY-UHFFFAOYSA-N 1 0 409.498 0.329 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)Cn3c4ccccc4c(=O)[nH]c3=O)ccn2)CC1 ZINC000056792769 1080274800 /nfs/dbraw/zinc/27/48/00/1080274800.db2.gz SHTZMUPDTVNKOO-UHFFFAOYSA-N 1 0 408.462 0.153 20 0 HCADRO CN(CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)S(=O)(=O)c1ccccc1 ZINC000056792846 1080274920 /nfs/dbraw/zinc/27/49/20/1080274920.db2.gz UCUYXJSQHWRRMI-UHFFFAOYSA-N 1 0 417.535 0.770 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1 ZINC000056890297 1080080346 /nfs/dbraw/zinc/08/03/46/1080080346.db2.gz TWHHIJOFHGBUAG-UHFFFAOYSA-N 1 0 416.503 0.982 20 0 HCADRO CCN1CCN(CC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C(=O)C1=O ZINC000056902710 1080283870 /nfs/dbraw/zinc/28/38/70/1080283870.db2.gz MEDPESHIRUPENI-LJQANCHMSA-N 1 0 415.538 0.172 20 0 HCADRO CCN1CCN(CC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)C(=O)C1=O ZINC000056931128 1079859677 /nfs/dbraw/zinc/85/96/77/1079859677.db2.gz VNAHANBLRJFOCQ-UHFFFAOYSA-N 1 0 415.538 0.314 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000056934658 1080286181 /nfs/dbraw/zinc/28/61/81/1080286181.db2.gz GYBKDTMLYOYYTG-SFHVURJKSA-N 1 0 419.501 0.905 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000056934660 1080286201 /nfs/dbraw/zinc/28/62/01/1080286201.db2.gz GYBKDTMLYOYYTG-GOSISDBHSA-N 1 0 419.501 0.905 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1 ZINC000056935289 1080286058 /nfs/dbraw/zinc/28/60/58/1080286058.db2.gz VDTKTKBGNVAYKM-KRWDZBQOSA-N 1 0 405.474 0.561 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1 ZINC000056935291 1080286250 /nfs/dbraw/zinc/28/62/50/1080286250.db2.gz VDTKTKBGNVAYKM-QGZVFWFLSA-N 1 0 405.474 0.561 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000056936140 1079859491 /nfs/dbraw/zinc/85/94/91/1079859491.db2.gz LXMGVXYFSQOPNL-KRWDZBQOSA-N 1 0 407.490 0.807 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000056936142 1079859620 /nfs/dbraw/zinc/85/96/20/1079859620.db2.gz LXMGVXYFSQOPNL-QGZVFWFLSA-N 1 0 407.490 0.807 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000056936306 1080286221 /nfs/dbraw/zinc/28/62/21/1080286221.db2.gz OFCPNZCXQPEWTG-CVEARBPZSA-N 1 0 414.503 0.421 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000056936309 1080286086 /nfs/dbraw/zinc/28/60/86/1080286086.db2.gz OFCPNZCXQPEWTG-HZPDHXFCSA-N 1 0 414.503 0.421 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000056936312 1080286139 /nfs/dbraw/zinc/28/61/39/1080286139.db2.gz OFCPNZCXQPEWTG-HOTGVXAUSA-N 1 0 414.503 0.421 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000056936316 1080286284 /nfs/dbraw/zinc/28/62/84/1080286284.db2.gz OFCPNZCXQPEWTG-JKSUJKDBSA-N 1 0 414.503 0.421 20 0 HCADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000056937131 1080285965 /nfs/dbraw/zinc/28/59/65/1080285965.db2.gz XOCMNKLDEKBYSY-INIZCTEOSA-N 1 0 401.508 0.562 20 0 HCADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000056937133 1080286265 /nfs/dbraw/zinc/28/62/65/1080286265.db2.gz XOCMNKLDEKBYSY-MRXNPFEDSA-N 1 0 401.508 0.562 20 0 HCADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000056946607 1080286872 /nfs/dbraw/zinc/28/68/72/1080286872.db2.gz MMGQYUJJFXJMGF-CEXWTWQISA-N 1 0 409.575 0.539 20 0 HCADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000056946609 1080286840 /nfs/dbraw/zinc/28/68/40/1080286840.db2.gz MMGQYUJJFXJMGF-GUDVDZBRSA-N 1 0 409.575 0.539 20 0 HCADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000056947271 1079859592 /nfs/dbraw/zinc/85/95/92/1079859592.db2.gz BSDSLSRAIVWBIB-QKPAOTATSA-N 1 0 402.561 0.345 20 0 HCADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000056947325 1079859625 /nfs/dbraw/zinc/85/96/25/1079859625.db2.gz JNLZSIMILHYMOM-FGTMMUONSA-N 1 0 407.559 0.829 20 0 HCADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000056947327 1079860175 /nfs/dbraw/zinc/86/01/75/1079860175.db2.gz JNLZSIMILHYMOM-KZNAEPCWSA-N 1 0 407.559 0.829 20 0 HCADRO CCN1CCN(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C(=O)C1=O ZINC000056951140 1080286794 /nfs/dbraw/zinc/28/67/94/1080286794.db2.gz AQDRFSFUBWCLID-UHFFFAOYSA-N 1 0 415.538 0.001 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000056951144 1080287140 /nfs/dbraw/zinc/28/71/40/1080287140.db2.gz OLFKQTUAOSTFFE-UHFFFAOYSA-N 1 0 406.508 0.865 20 0 HCADRO CCN1CCN(CC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C(=O)C1=O ZINC000056965177 1080287707 /nfs/dbraw/zinc/28/77/07/1080287707.db2.gz BBNWUQFXOJTQIE-CALCHBBNSA-N 1 0 416.522 0.603 20 0 HCADRO COc1ccccc1[C@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)[NH+]1CCCC1 ZINC000056971280 1079860723 /nfs/dbraw/zinc/86/07/23/1079860723.db2.gz WVUXQTYVGPYBMM-KRWDZBQOSA-N 1 0 400.483 0.942 20 0 HCADRO COc1ccccc1[C@@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)[NH+]1CCCC1 ZINC000056971281 1079860560 /nfs/dbraw/zinc/86/05/60/1079860560.db2.gz WVUXQTYVGPYBMM-QGZVFWFLSA-N 1 0 400.483 0.942 20 0 HCADRO COc1ccc([C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)[NH+]2CCCC2)cc1 ZINC000056971338 1079861182 /nfs/dbraw/zinc/86/11/82/1079861182.db2.gz BTGWGWHDZURDMH-SFHVURJKSA-N 1 0 400.483 0.942 20 0 HCADRO COc1ccc([C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)[NH+]2CCCC2)cc1 ZINC000056971339 1079861141 /nfs/dbraw/zinc/86/11/41/1079861141.db2.gz BTGWGWHDZURDMH-GOSISDBHSA-N 1 0 400.483 0.942 20 0 HCADRO COc1cccc([C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)[NH+]2CCCC2)c1 ZINC000056971396 1079861156 /nfs/dbraw/zinc/86/11/56/1079861156.db2.gz TYGQBWPRSANWEU-SFHVURJKSA-N 1 0 400.483 0.942 20 0 HCADRO COc1cccc([C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)[NH+]2CCCC2)c1 ZINC000056971397 1079861257 /nfs/dbraw/zinc/86/12/57/1079861257.db2.gz TYGQBWPRSANWEU-GOSISDBHSA-N 1 0 400.483 0.942 20 0 HCADRO CN(C)C(=O)Cn1cc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000056971822 1079861235 /nfs/dbraw/zinc/86/12/35/1079861235.db2.gz CMPOMUATGMWHTL-UHFFFAOYSA-N 1 0 413.526 0.304 20 0 HCADRO CN(C)C(=O)Cn1cc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000056971871 1079861114 /nfs/dbraw/zinc/86/11/14/1079861114.db2.gz FLSGJVCCTKXRRJ-IBGZPJMESA-N 1 0 413.526 0.475 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cn(CC(=O)N(C)C)nn3)CC2)c1 ZINC000056972899 1079861176 /nfs/dbraw/zinc/86/11/76/1079861176.db2.gz RETWPBBZSBZRTK-UHFFFAOYSA-N 1 0 413.526 0.617 20 0 HCADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cn(CC(=O)N(C)C)nn3)cc2)C[C@H](C)O1 ZINC000056974163 1079861717 /nfs/dbraw/zinc/86/17/17/1079861717.db2.gz KERKIXPTYAFPHP-IYBDPMFKSA-N 1 0 414.510 0.906 20 0 HCADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cn(CC(=O)N(C)C)nn3)cc2)C[C@H](C)O1 ZINC000056974165 1079861817 /nfs/dbraw/zinc/86/18/17/1079861817.db2.gz KERKIXPTYAFPHP-HOTGVXAUSA-N 1 0 414.510 0.906 20 0 HCADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cn(CC(=O)N(C)C)nn3)cc2)C[C@@H](C)O1 ZINC000056974167 1079861798 /nfs/dbraw/zinc/86/17/98/1079861798.db2.gz KERKIXPTYAFPHP-HZPDHXFCSA-N 1 0 414.510 0.906 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000056982360 1079861733 /nfs/dbraw/zinc/86/17/33/1079861733.db2.gz PIZHDMPVDNNZMD-UHFFFAOYSA-N 1 0 413.526 0.434 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cn(CC(=O)N(C)C)nn3)cc2)CC1 ZINC000056982815 1079862289 /nfs/dbraw/zinc/86/22/89/1079862289.db2.gz MUIPAOPDCCAYIF-UHFFFAOYSA-N 1 0 413.526 0.434 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cn(CC(=O)N(C)C)nn2)c1 ZINC000056982932 1079862360 /nfs/dbraw/zinc/86/23/60/1079862360.db2.gz NPDAPEJHKCJTGK-UHFFFAOYSA-N 1 0 415.498 0.690 20 0 HCADRO CC[N@@H+]1CC[C@H](CNC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)C1 ZINC000056983686 1079862424 /nfs/dbraw/zinc/86/24/24/1079862424.db2.gz HOYXFIZWEMMWDX-GOSISDBHSA-N 1 0 408.568 0.905 20 0 HCADRO CC[N@@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)C1 ZINC000056983687 1079862328 /nfs/dbraw/zinc/86/23/28/1079862328.db2.gz HOYXFIZWEMMWDX-SFHVURJKSA-N 1 0 408.568 0.905 20 0 HCADRO CN(C)C(=O)Cn1cc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000056984073 1079862439 /nfs/dbraw/zinc/86/24/39/1079862439.db2.gz KKORTDUHXQGXND-UHFFFAOYSA-N 1 0 413.526 0.699 20 0 HCADRO Cn1c(=O)ccn(CC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1=O ZINC000056993540 1080288936 /nfs/dbraw/zinc/28/89/36/1080288936.db2.gz BTEHRFYOQMYWOD-UHFFFAOYSA-N 1 0 413.522 0.261 20 0 HCADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000056996957 1079862913 /nfs/dbraw/zinc/86/29/13/1079862913.db2.gz HGHOOTVFSRKHCH-UHFFFAOYSA-N 1 0 409.284 0.890 20 0 HCADRO CC(=O)NCC(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000056997050 1079862874 /nfs/dbraw/zinc/86/28/74/1079862874.db2.gz XVXGBLYNXYBDMF-UHFFFAOYSA-N 1 0 413.316 0.592 20 0 HCADRO CC[NH+]1CCC(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000057001257 1079862906 /nfs/dbraw/zinc/86/29/06/1079862906.db2.gz QTCHURUMRRWFPE-UHFFFAOYSA-N 1 0 408.524 0.269 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000057040073 1079865133 /nfs/dbraw/zinc/86/51/33/1079865133.db2.gz AGOIZGUEZBZXJO-KRWDZBQOSA-N 1 0 417.576 0.013 20 0 HCADRO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000057040076 1079865307 /nfs/dbraw/zinc/86/53/07/1079865307.db2.gz AGOIZGUEZBZXJO-QGZVFWFLSA-N 1 0 417.576 0.013 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)CSCC(=O)N3CCOCC3)c2)CC1 ZINC000057054268 1079865229 /nfs/dbraw/zinc/86/52/29/1079865229.db2.gz PPCQULLSMGNKHV-UHFFFAOYSA-N 1 0 406.552 0.965 20 0 HCADRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000057065795 1079866286 /nfs/dbraw/zinc/86/62/86/1079866286.db2.gz GHTSAOUGUHDCOE-KRWDZBQOSA-N 1 0 408.568 0.839 20 0 HCADRO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C[NH+]3CCN(C)CC3)CC1)C2=O ZINC000057065927 1079866411 /nfs/dbraw/zinc/86/64/11/1079866411.db2.gz AREUQTSLQBZOEW-UHFFFAOYSA-N 1 0 419.570 0.973 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)CC2)CC1 ZINC000057066197 1079866339 /nfs/dbraw/zinc/86/63/39/1079866339.db2.gz IUAZDZSMPLLVRN-UHFFFAOYSA-N 1 0 405.543 0.727 20 0 HCADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C[NH+]3CCN(C)CC3)CC1)C2=O ZINC000057066556 1079866424 /nfs/dbraw/zinc/86/64/24/1079866424.db2.gz YVZSNNOEYWBDOM-VGSWGCGISA-N 1 0 419.570 0.973 20 0 HCADRO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C[NH+]3CCN(C)CC3)CC1)C2=O ZINC000057066557 1079866298 /nfs/dbraw/zinc/86/62/98/1079866298.db2.gz YVZSNNOEYWBDOM-JTSKRJEESA-N 1 0 419.570 0.973 20 0 HCADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(C[NH+]3CCN(C)CC3)CC1)C2=O ZINC000057066558 1079866363 /nfs/dbraw/zinc/86/63/63/1079866363.db2.gz YVZSNNOEYWBDOM-VGOFRKELSA-N 1 0 419.570 0.973 20 0 HCADRO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(C[NH+]3CCN(C)CC3)CC1)C2=O ZINC000057066559 1079866260 /nfs/dbraw/zinc/86/62/60/1079866260.db2.gz YVZSNNOEYWBDOM-HTAPYJJXSA-N 1 0 419.570 0.973 20 0 HCADRO CN(CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)S(=O)(=O)c1cccnc1 ZINC000057066624 1079866314 /nfs/dbraw/zinc/86/63/14/1079866314.db2.gz CEMWEHVYUUTNOK-UHFFFAOYSA-N 1 0 409.556 0.188 20 0 HCADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000057066644 1079866244 /nfs/dbraw/zinc/86/62/44/1079866244.db2.gz SOPCHJHSBHYERW-SFHVURJKSA-N 1 0 400.589 0.534 20 0 HCADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000057066645 1079866386 /nfs/dbraw/zinc/86/63/86/1079866386.db2.gz SOPCHJHSBHYERW-GOSISDBHSA-N 1 0 400.589 0.534 20 0 HCADRO O=C(CN1CCS(=O)(=O)CC1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000057113959 1079867456 /nfs/dbraw/zinc/86/74/56/1079867456.db2.gz ISZAGTXPUQYFIC-UHFFFAOYSA-N 1 0 408.568 0.435 20 0 HCADRO C#CC[NH+]1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000057137680 1080081406 /nfs/dbraw/zinc/08/14/06/1080081406.db2.gz HPQWIJLVMAVBEE-UHFFFAOYSA-N 1 0 405.520 0.669 20 0 HCADRO O=C(C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1)N1CCOCC1 ZINC000057138753 1079868226 /nfs/dbraw/zinc/86/82/26/1079868226.db2.gz JAHFSQBQABWGTF-LJQANCHMSA-N 1 0 414.506 0.181 20 0 HCADRO O=C(C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1)N1CCOCC1 ZINC000057138754 1079868200 /nfs/dbraw/zinc/86/82/00/1079868200.db2.gz JAHFSQBQABWGTF-IBGZPJMESA-N 1 0 414.506 0.181 20 0 HCADRO CCN(CCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)S(C)(=O)=O ZINC000057150402 1080297487 /nfs/dbraw/zinc/29/74/87/1080297487.db2.gz MAUMTYKSSJOLRU-UHFFFAOYSA-N 1 0 404.577 0.992 20 0 HCADRO Cn1c(=O)c2cc(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)cnc2n(C)c1=O ZINC000057165617 1079869336 /nfs/dbraw/zinc/86/93/36/1079869336.db2.gz ALOCKKMUNPUVKS-UHFFFAOYSA-N 1 0 408.462 0.422 20 0 HCADRO O=C(CCNS(=O)(=O)c1cccnc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057167365 1080297893 /nfs/dbraw/zinc/29/78/93/1080297893.db2.gz LHZFOGNIFOFNKK-UHFFFAOYSA-N 1 0 403.508 0.926 20 0 HCADRO CN(CC(=O)NC1CC[NH+](Cc2ccncc2)CC1)S(=O)(=O)c1cccnc1 ZINC000057167546 1079869374 /nfs/dbraw/zinc/86/93/74/1079869374.db2.gz DQQHSQJBEYCURM-UHFFFAOYSA-N 1 0 403.508 0.878 20 0 HCADRO O=C(CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000057171075 1079869358 /nfs/dbraw/zinc/86/93/58/1079869358.db2.gz ZFZHQQIWBVGXKX-ZWKOTPCHSA-N 1 0 407.536 0.708 20 0 HCADRO O=C(CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000057171076 1079869401 /nfs/dbraw/zinc/86/94/01/1079869401.db2.gz ZFZHQQIWBVGXKX-QZTJIDSGSA-N 1 0 407.536 0.708 20 0 HCADRO O=C(CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000057171187 1079869330 /nfs/dbraw/zinc/86/93/30/1079869330.db2.gz DUUTXNLAHBJGQJ-GOSISDBHSA-N 1 0 407.536 0.708 20 0 HCADRO O=C(CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000057171188 1079869902 /nfs/dbraw/zinc/86/99/02/1079869902.db2.gz DUUTXNLAHBJGQJ-SFHVURJKSA-N 1 0 407.536 0.708 20 0 HCADRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057171477 1079869870 /nfs/dbraw/zinc/86/98/70/1079869870.db2.gz APLPUYBASFXSFU-GOSISDBHSA-N 1 0 407.536 0.660 20 0 HCADRO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057171478 1079869738 /nfs/dbraw/zinc/86/97/38/1079869738.db2.gz APLPUYBASFXSFU-SFHVURJKSA-N 1 0 407.536 0.660 20 0 HCADRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057171479 1079869843 /nfs/dbraw/zinc/86/98/43/1079869843.db2.gz NBZXQSYYFMVEFW-QZTJIDSGSA-N 1 0 407.536 0.660 20 0 HCADRO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057171480 1079869894 /nfs/dbraw/zinc/86/98/94/1079869894.db2.gz NBZXQSYYFMVEFW-MSOLQXFVSA-N 1 0 407.536 0.660 20 0 HCADRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057171481 1079869795 /nfs/dbraw/zinc/86/97/95/1079869795.db2.gz NBZXQSYYFMVEFW-ZWKOTPCHSA-N 1 0 407.536 0.660 20 0 HCADRO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057171482 1079869767 /nfs/dbraw/zinc/86/97/67/1079869767.db2.gz NBZXQSYYFMVEFW-ROUUACIJSA-N 1 0 407.536 0.660 20 0 HCADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000057177517 1079870414 /nfs/dbraw/zinc/87/04/14/1079870414.db2.gz SYQBENAOWCMQCK-GOSISDBHSA-N 1 0 412.490 0.471 20 0 HCADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000057177519 1079870530 /nfs/dbraw/zinc/87/05/30/1079870530.db2.gz SYQBENAOWCMQCK-SFHVURJKSA-N 1 0 412.490 0.471 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000057202087 1080299505 /nfs/dbraw/zinc/29/95/05/1080299505.db2.gz PNIBZXVYABFTBB-LJQANCHMSA-N 1 0 415.538 0.636 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000057202090 1080300146 /nfs/dbraw/zinc/30/01/46/1080300146.db2.gz PNIBZXVYABFTBB-IBGZPJMESA-N 1 0 415.538 0.636 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000057203008 1080299939 /nfs/dbraw/zinc/29/99/39/1080299939.db2.gz JHFLXIWLQXXEBN-SFHVURJKSA-N 1 0 403.527 0.538 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000057203010 1080300132 /nfs/dbraw/zinc/30/01/32/1080300132.db2.gz JHFLXIWLQXXEBN-GOSISDBHSA-N 1 0 403.527 0.538 20 0 HCADRO CC1CC[NH+](CCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC000057213337 1079871786 /nfs/dbraw/zinc/87/17/86/1079871786.db2.gz KYLPLXSGEUCQNT-UHFFFAOYSA-N 1 0 410.540 0.632 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000057250158 1080302066 /nfs/dbraw/zinc/30/20/66/1080302066.db2.gz FIDXORHOVUZMMP-UHFFFAOYSA-N 1 0 406.508 0.995 20 0 HCADRO Cn1cc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cn1 ZINC000057274092 1079874188 /nfs/dbraw/zinc/87/41/88/1079874188.db2.gz OWNXTNIDGZWTLT-UHFFFAOYSA-N 1 0 406.512 0.085 20 0 HCADRO O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000057274292 1079874120 /nfs/dbraw/zinc/87/41/20/1079874120.db2.gz JFDYZPGOKBRUEQ-KRWDZBQOSA-N 1 0 408.462 0.940 20 0 HCADRO COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000057424245 1079878711 /nfs/dbraw/zinc/87/87/11/1079878711.db2.gz CLEZTSQMYMORHI-NRFANRHFSA-N 1 0 402.539 0.982 20 0 HCADRO COc1cccc(C[C@@H](NC(C)=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000057424246 1079878618 /nfs/dbraw/zinc/87/86/18/1079878618.db2.gz CLEZTSQMYMORHI-OAQYLSRUSA-N 1 0 402.539 0.982 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)CC)CC3)cn2)CC1 ZINC000057675662 1079880707 /nfs/dbraw/zinc/88/07/07/1079880707.db2.gz NJRDSXORYQWNNK-UHFFFAOYSA-N 1 0 423.583 0.901 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc4n(c3=O)CCS4)cn2)CC1 ZINC000057675880 1079880723 /nfs/dbraw/zinc/88/07/23/1079880723.db2.gz MAIUSEIRGVLDHD-UHFFFAOYSA-N 1 0 400.508 0.816 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)CN3C(=O)NC4(CCCC4)C3=O)cn2)CC1 ZINC000057677720 1079881229 /nfs/dbraw/zinc/88/12/29/1079881229.db2.gz SMIYXWJKMYNPOC-UHFFFAOYSA-N 1 0 414.510 0.704 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)CSCC(=O)N3CCOCC3)cn2)CC1 ZINC000057678089 1079881152 /nfs/dbraw/zinc/88/11/52/1079881152.db2.gz KENQKOSIZSUSOO-UHFFFAOYSA-N 1 0 421.567 0.432 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)CSc3nnnn3C3CC3)cn2)CC1 ZINC000057678529 1079881092 /nfs/dbraw/zinc/88/10/92/1079881092.db2.gz DVHJTVSKISLEMF-UHFFFAOYSA-N 1 0 402.528 0.953 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000057725595 1079881073 /nfs/dbraw/zinc/88/10/73/1079881073.db2.gz YWTOMJWXFNDKBL-UHFFFAOYSA-N 1 0 412.560 0.304 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3cccc(S(N)(=O)=O)c3)cn2)CC1 ZINC000057726093 1079881174 /nfs/dbraw/zinc/88/11/74/1079881174.db2.gz RAPQIJDIRFNSFG-UHFFFAOYSA-N 1 0 418.523 0.480 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCCS(=O)(=O)NCc2ccccc2)C[C@H](C)O1 ZINC000057760986 1079881715 /nfs/dbraw/zinc/88/17/15/1079881715.db2.gz BAOUIHGGRFKSFA-CALCHBBNSA-N 1 0 412.556 0.905 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)NCCS(=O)(=O)NCc2ccccc2)C[C@H](C)O1 ZINC000057760990 1079881675 /nfs/dbraw/zinc/88/16/75/1079881675.db2.gz BAOUIHGGRFKSFA-IRXDYDNUSA-N 1 0 412.556 0.905 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)NCCS(=O)(=O)NCc2ccccc2)C[C@@H](C)O1 ZINC000057760994 1079881649 /nfs/dbraw/zinc/88/16/49/1079881649.db2.gz BAOUIHGGRFKSFA-IAGOWNOFSA-N 1 0 412.556 0.905 20 0 HCADRO CC(C)[C@@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CCOCC1 ZINC000057780084 1079881620 /nfs/dbraw/zinc/88/16/20/1079881620.db2.gz NSSFKYALZPRSSL-LJQANCHMSA-N 1 0 404.559 0.989 20 0 HCADRO CC(C)[C@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CCOCC1 ZINC000057780089 1079881564 /nfs/dbraw/zinc/88/15/64/1079881564.db2.gz NSSFKYALZPRSSL-IBGZPJMESA-N 1 0 404.559 0.989 20 0 HCADRO CCS(=O)(=O)N1CCC(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000057828841 1079882161 /nfs/dbraw/zinc/88/21/61/1079882161.db2.gz NLIDLLGRUGUSPO-UHFFFAOYSA-N 1 0 424.571 0.447 20 0 HCADRO C[NH+](C)CCN(C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)c1ccccc1 ZINC000058297644 1079885252 /nfs/dbraw/zinc/88/52/52/1079885252.db2.gz ZGNWUQKCBDOAMK-UHFFFAOYSA-N 1 0 418.475 0.837 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)CNS(=O)(=O)c3cccs3)cn2)CC1 ZINC000058350694 1079885725 /nfs/dbraw/zinc/88/57/25/1079885725.db2.gz KHPDFWNBEIOFMC-UHFFFAOYSA-N 1 0 423.564 0.880 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000058396137 1079886291 /nfs/dbraw/zinc/88/62/91/1079886291.db2.gz MLUQNJHDXXRDAG-UHFFFAOYSA-N 1 0 402.539 0.557 20 0 HCADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000058399213 1079886310 /nfs/dbraw/zinc/88/63/10/1079886310.db2.gz VQVMGCYYSUUZSK-UHFFFAOYSA-N 1 0 416.522 0.970 20 0 HCADRO Cc1noc(CN2CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)n1 ZINC000058469506 1079887169 /nfs/dbraw/zinc/88/71/69/1079887169.db2.gz NHIXYRZOAMVSAC-UHFFFAOYSA-N 1 0 420.558 0.647 20 0 HCADRO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000058525373 1079888640 /nfs/dbraw/zinc/88/86/40/1079888640.db2.gz SMRXEPFSRFHCRP-LJQANCHMSA-N 1 0 402.539 0.935 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)NCC(=O)NCCc3ccccc3)cn2)CC1 ZINC000058558202 1079889064 /nfs/dbraw/zinc/88/90/64/1079889064.db2.gz ZAZHGRLKYZHUJP-UHFFFAOYSA-N 1 0 410.522 0.992 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)NCC(=O)NCCc3ccccc3)ccn2)CC1 ZINC000058560486 1079889019 /nfs/dbraw/zinc/88/90/19/1079889019.db2.gz KTYFBWBWMHGNQQ-UHFFFAOYSA-N 1 0 410.522 0.992 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCC(=O)NCCc2ccccc2)CC1 ZINC000058573821 1079889001 /nfs/dbraw/zinc/88/90/01/1079889001.db2.gz COEKNHKTMMPEFX-UHFFFAOYSA-N 1 0 410.522 0.992 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc2oc1=O ZINC000058738094 1079891008 /nfs/dbraw/zinc/89/10/08/1079891008.db2.gz QHVAUCIAKHWOQA-UHFFFAOYSA-N 1 0 415.450 0.959 20 0 HCADRO CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1=O ZINC000058738189 1079890918 /nfs/dbraw/zinc/89/09/18/1079890918.db2.gz PAEXLZNOSWZQOL-LJQANCHMSA-N 1 0 403.439 0.815 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc2oc1=O ZINC000058738883 1079891017 /nfs/dbraw/zinc/89/10/17/1079891017.db2.gz IRNTVPCFRCXBSA-UHFFFAOYSA-N 1 0 410.496 0.766 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)Nc1ccc3oc(=O)n(CC[NH+](C)C)c3c1)c2=O ZINC000058738912 1079891050 /nfs/dbraw/zinc/89/10/50/1079891050.db2.gz RYYHOVGXGJOTOO-UHFFFAOYSA-N 1 0 411.422 0.238 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)ccc2oc1=O ZINC000058739639 1079891000 /nfs/dbraw/zinc/89/10/00/1079891000.db2.gz ZIKATKJSCRYQLG-UHFFFAOYSA-N 1 0 423.429 0.798 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)Cn3nnc4ccccc4c3=O)ccc2oc1=O ZINC000058739678 1079890979 /nfs/dbraw/zinc/89/09/79/1079890979.db2.gz FITHAFWGVBWNDX-UHFFFAOYSA-N 1 0 408.418 0.900 20 0 HCADRO CN(C)C(=O)Cn1cc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)nn1 ZINC000058740721 1079890956 /nfs/dbraw/zinc/89/09/56/1079890956.db2.gz OBILHPUICXCORY-UHFFFAOYSA-N 1 0 401.427 0.088 20 0 HCADRO C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000058841724 1079891978 /nfs/dbraw/zinc/89/19/78/1079891978.db2.gz PRQOSVLTPKSGBU-ZDUSSCGKSA-N 1 0 402.528 0.952 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000058853608 1079892043 /nfs/dbraw/zinc/89/20/43/1079892043.db2.gz GZIDDPUXIHIQPX-UHFFFAOYSA-N 1 0 401.305 0.868 20 0 HCADRO CC(=O)NCC(=O)NCC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000058856073 1079892000 /nfs/dbraw/zinc/89/20/00/1079892000.db2.gz XLDZVOMYCLJUKE-UHFFFAOYSA-N 1 0 403.527 0.266 20 0 HCADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000058883417 1079892481 /nfs/dbraw/zinc/89/24/81/1079892481.db2.gz WGSGHRDGCFYNGL-UHFFFAOYSA-N 1 0 410.540 0.467 20 0 HCADRO C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000058901254 1079892895 /nfs/dbraw/zinc/89/28/95/1079892895.db2.gz ZMCNNPPXYOLTRE-ZDUSSCGKSA-N 1 0 402.528 0.952 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000058919540 1079892938 /nfs/dbraw/zinc/89/29/38/1079892938.db2.gz KLECUOIKGAOJRE-KRWDZBQOSA-N 1 0 424.567 0.966 20 0 HCADRO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058926454 1079893367 /nfs/dbraw/zinc/89/33/67/1079893367.db2.gz YBBMPDGEWWXGLG-HNNXBMFYSA-N 1 0 402.513 0.799 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000058942594 1079893735 /nfs/dbraw/zinc/89/37/35/1079893735.db2.gz DMASPJBBNBBELG-MRXNPFEDSA-N 1 0 401.511 0.742 20 0 HCADRO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2OC)c(=O)[nH]c1=O ZINC000058975981 1079893879 /nfs/dbraw/zinc/89/38/79/1079893879.db2.gz DROXSRQVDPJDQH-OAHLLOKOSA-N 1 0 416.478 0.664 20 0 HCADRO CN(CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)c1ncnc2nc[nH]c21 ZINC000059003428 1079894281 /nfs/dbraw/zinc/89/42/81/1079894281.db2.gz ZTDALYRHRYALOP-UHFFFAOYSA-N 1 0 410.438 0.897 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)CSCC(=O)N3CCOCC3)cc21 ZINC000059004687 1079894307 /nfs/dbraw/zinc/89/43/07/1079894307.db2.gz QKEYSDZEUBFGMY-UHFFFAOYSA-N 1 0 422.507 0.687 20 0 HCADRO COc1cc2c(cc1OC)CN(C(=O)CSc1nnnn1CC[NH+](C)C)CC2 ZINC000059352051 1079894689 /nfs/dbraw/zinc/89/46/89/1079894689.db2.gz PQVQFWSNWIILOA-UHFFFAOYSA-N 1 0 406.512 0.929 20 0 HCADRO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc2)CC1 ZINC000059932539 1079895314 /nfs/dbraw/zinc/89/53/14/1079895314.db2.gz RZASVTNYGRPVED-KRWDZBQOSA-N 1 0 420.535 0.836 20 0 HCADRO CC1CC[NH+]([C@H](CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc2)CC1 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424.505 0.886 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(C(=O)OC)ccc2OC(C)C)CC1 ZINC000060608111 1079901051 /nfs/dbraw/zinc/90/10/51/1079901051.db2.gz HYZRSOXWPBVCGL-UHFFFAOYSA-N 1 0 420.510 0.953 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000060610194 1079900984 /nfs/dbraw/zinc/90/09/84/1079900984.db2.gz AJOMVCKJMCLTRI-UHFFFAOYSA-N 1 0 411.572 0.433 20 0 HCADRO C[C@@H](Cn1ccnc1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000060617766 1079900936 /nfs/dbraw/zinc/90/09/36/1079900936.db2.gz YZQVCEUHTCINAM-ZDUSSCGKSA-N 1 0 400.439 0.496 20 0 HCADRO CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000060622606 1079901394 /nfs/dbraw/zinc/90/13/94/1079901394.db2.gz AMBJMSVGNZMFPR-UHFFFAOYSA-N 1 0 422.551 0.410 20 0 HCADRO CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000060622609 1079901607 /nfs/dbraw/zinc/90/16/07/1079901607.db2.gz GBDZXBGIEQOHGR-UHFFFAOYSA-N 1 0 422.551 0.410 20 0 HCADRO CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 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MATUZYJWZGSBRF-UHFFFAOYSA-N 1 0 403.483 0.173 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1OCC(N)=O ZINC000060690065 1079903240 /nfs/dbraw/zinc/90/32/40/1079903240.db2.gz YUODAFTYZBOJHY-UHFFFAOYSA-N 1 0 406.483 0.831 20 0 HCADRO CCC(O)(CC)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000060710236 1079903807 /nfs/dbraw/zinc/90/38/07/1079903807.db2.gz YXERDRKVZFWEDU-UHFFFAOYSA-N 1 0 404.511 0.990 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC(=O)NC3CCCCC3)c2)CC1 ZINC000060724454 1079904776 /nfs/dbraw/zinc/90/47/76/1079904776.db2.gz BAZAFVCAUURUGD-UHFFFAOYSA-N 1 0 415.538 0.938 20 0 HCADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)CN2C(=O)CCC2=O)CC1 ZINC000060760871 1073404964 /nfs/dbraw/zinc/40/49/64/1073404964.db2.gz OAWVXMJSSUGRRO-UHFFFAOYSA-N 1 0 401.463 0.768 20 0 HCADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000060760891 1073404852 /nfs/dbraw/zinc/40/48/52/1073404852.db2.gz QJECHCDVSXEIBA-UHFFFAOYSA-N 1 0 401.463 0.722 20 0 HCADRO 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C[NH+]1CCN(Cc2ccc(CNC(=O)NCCN3CCCS3(=O)=O)cc2)CC1 ZINC000061039412 1079909113 /nfs/dbraw/zinc/90/91/13/1079909113.db2.gz FWDRKAJTEOXNSX-UHFFFAOYSA-N 1 0 409.556 0.269 20 0 HCADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000061041596 1073501088 /nfs/dbraw/zinc/50/10/88/1073501088.db2.gz QVNGSVSOBRRBLC-SJORKVTESA-N 1 0 414.547 0.032 20 0 HCADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000061134323 1073550650 /nfs/dbraw/zinc/55/06/50/1073550650.db2.gz JEDPOUSPUGVODA-INIZCTEOSA-N 1 0 408.524 0.413 20 0 HCADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)CCNS(C)(=O)=O)CC1 ZINC000061157499 1073566546 /nfs/dbraw/zinc/56/65/46/1073566546.db2.gz PDKUWRKDXUBRFI-UHFFFAOYSA-N 1 0 411.524 0.558 20 0 HCADRO COC(=O)CCCNC(=S)NNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000061242860 1073607859 /nfs/dbraw/zinc/60/78/59/1073607859.db2.gz IXZJBAKAGOZMGZ-UHFFFAOYSA-N 1 0 407.540 0.647 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000061253906 1073610615 /nfs/dbraw/zinc/61/06/15/1073610615.db2.gz ZXSLIKPYUKEUSO-AWEZNQCLSA-N 1 0 402.451 0.553 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000061298570 1073641404 /nfs/dbraw/zinc/64/14/04/1073641404.db2.gz QZRQYJHSJNSFCL-KRWDZBQOSA-N 1 0 409.458 0.572 20 0 HCADRO C[C@H]1CCCN(C(=O)C2CC[NH+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)C1 ZINC000061333369 1079911750 /nfs/dbraw/zinc/91/17/50/1079911750.db2.gz ZPZUXCAKKRGKEG-SFHVURJKSA-N 1 0 421.586 0.189 20 0 HCADRO Cc1ccccc1C(=O)NCC(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000061336934 1073663044 /nfs/dbraw/zinc/66/30/44/1073663044.db2.gz NFXWTVGOLVPHIP-KRWDZBQOSA-N 1 0 405.495 0.741 20 0 HCADRO Cn1c(=O)c2cc(NC(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)cnc2n(C)c1=O ZINC000061379064 1079912312 /nfs/dbraw/zinc/91/23/12/1079912312.db2.gz ZTCZLEAVMBVKAC-MRXNPFEDSA-N 1 0 410.478 0.927 20 0 HCADRO C[C@@H](C(=O)OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1C(=O)CCC1=O ZINC000061393357 1073677434 /nfs/dbraw/zinc/67/74/34/1073677434.db2.gz DJYURRPCRZMDIA-HNNXBMFYSA-N 1 0 401.463 0.979 20 0 HCADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@@H]3CCC(=O)NC3)CC2)cc1 ZINC000061470333 1073746489 /nfs/dbraw/zinc/74/64/89/1073746489.db2.gz FLOLDQXNIYCYLT-QGZVFWFLSA-N 1 0 403.479 0.799 20 0 HCADRO CC(=O)N1CCC[C@H](C(=O)NNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000061477318 1073756583 /nfs/dbraw/zinc/75/65/83/1073756583.db2.gz NOANHVGJKYGPJW-SFHVURJKSA-N 1 0 401.511 0.605 20 0 HCADRO Cc1ccc([C@H](CNC(=O)CNS(=O)(=O)c2cnn(C)c2)[NH+]2CCCC2)cc1 ZINC000061502758 1079913122 /nfs/dbraw/zinc/91/31/22/1079913122.db2.gz MQQGZSRMJTVKSD-SFHVURJKSA-N 1 0 405.524 0.960 20 0 HCADRO C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCCN1CC[NH+](C)CC1)C2=O ZINC000061524574 1079912865 /nfs/dbraw/zinc/91/28/65/1079912865.db2.gz ZXTQJJYBXMDGLL-HRAATJIYSA-N 1 0 407.559 0.877 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000061524829 1079912825 /nfs/dbraw/zinc/91/28/25/1079912825.db2.gz QZEKJAJMRMCRTJ-UHFFFAOYSA-N 1 0 402.948 0.762 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC(=O)NCc3ccco3)cn2)CC1 ZINC000061526322 1079913529 /nfs/dbraw/zinc/91/35/29/1079913529.db2.gz UILYWAANGLLTTI-UHFFFAOYSA-N 1 0 400.483 0.932 20 0 HCADRO O=C(CSc1nnnn1C1CC1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000061553376 1079913622 /nfs/dbraw/zinc/91/36/22/1079913622.db2.gz ZGBRMJPHUBCGPL-UHFFFAOYSA-N 1 0 421.571 0.941 20 0 HCADRO Cn1cc(S(=O)(=O)NCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000061567887 1079913671 /nfs/dbraw/zinc/91/36/71/1079913671.db2.gz OVPGNUZNXKGRFJ-UHFFFAOYSA-N 1 0 411.553 0.788 20 0 HCADRO CCN1CCN(CC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C(=O)C1=O ZINC000061572145 1079913581 /nfs/dbraw/zinc/91/35/81/1079913581.db2.gz WKOKYPXRPYZRMM-UHFFFAOYSA-N 1 0 404.536 0.907 20 0 HCADRO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cn1 ZINC000061572156 1079914093 /nfs/dbraw/zinc/91/40/93/1079914093.db2.gz BCFPMUOJCFTAFD-UHFFFAOYSA-N 1 0 423.564 0.928 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)c3cccc(CN4C(=O)CNC4=O)c3)ccn2)CC1 ZINC000061632869 1079915837 /nfs/dbraw/zinc/91/58/37/1079915837.db2.gz CQIWSVZUSWVVNP-UHFFFAOYSA-N 1 0 422.489 0.815 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)cn1 ZINC000061635560 1073811649 /nfs/dbraw/zinc/81/16/49/1073811649.db2.gz QDSBTYINUNEARA-UHFFFAOYSA-N 1 0 404.496 0.902 20 0 HCADRO CN(CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)S(=O)(=O)c1cccnc1 ZINC000061647722 1079916459 /nfs/dbraw/zinc/91/64/59/1079916459.db2.gz QAFNWGGDQPQMRX-UHFFFAOYSA-N 1 0 410.540 0.663 20 0 HCADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000061648933 1073817165 /nfs/dbraw/zinc/81/71/65/1073817165.db2.gz JMFABARUFOVQEE-UONOGXRCSA-N 1 0 414.553 0.345 20 0 HCADRO COc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1S(=O)(=O)NC1CC1 ZINC000061649439 1073817018 /nfs/dbraw/zinc/81/70/18/1073817018.db2.gz AZQCKARPQGSLCP-HOTGVXAUSA-N 1 0 409.508 0.729 20 0 HCADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2=O)cc1 ZINC000061649459 1073817095 /nfs/dbraw/zinc/81/70/95/1073817095.db2.gz NAIFYJKJXQIDLF-XPIZARPCSA-N 1 0 416.478 0.442 20 0 HCADRO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1=O ZINC000061649544 1073817524 /nfs/dbraw/zinc/81/75/24/1073817524.db2.gz QVOABPSXQSHWOW-RZQQEMMASA-N 1 0 404.442 0.572 20 0 HCADRO COc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1S(=O)(=O)NC(C)C ZINC000061649714 1073817465 /nfs/dbraw/zinc/81/74/65/1073817465.db2.gz AMSLSUMSHXURGG-HOTGVXAUSA-N 1 0 411.524 0.975 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000061649773 1073817422 /nfs/dbraw/zinc/81/74/22/1073817422.db2.gz VCUAFJXDUGZCLB-JKSUJKDBSA-N 1 0 411.524 0.513 20 0 HCADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2=O)cc1 ZINC000061649790 1073817447 /nfs/dbraw/zinc/81/74/47/1073817447.db2.gz PLDRIUKPDAQVCM-FVJLSDCUSA-N 1 0 400.479 0.741 20 0 HCADRO Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1S(=O)(=O)N1CCOCC1 ZINC000061650196 1073817491 /nfs/dbraw/zinc/81/74/91/1073817491.db2.gz AHPOXNQZEDOFPU-ROUUACIJSA-N 1 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COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1OCC(N)=O ZINC000061782439 1079916978 /nfs/dbraw/zinc/91/69/78/1079916978.db2.gz MCZSAJPLOXENDQ-INIZCTEOSA-N 1 0 414.462 0.917 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)Cc1ccccc1 ZINC000061869788 1073875640 /nfs/dbraw/zinc/87/56/40/1073875640.db2.gz SVKSUTZFMSWWPL-HXUWFJFHSA-N 1 0 423.517 0.850 20 0 HCADRO NC(=O)Cc1ccc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000061878357 1079917127 /nfs/dbraw/zinc/91/71/27/1079917127.db2.gz HSNAZGNXBGORMH-UHFFFAOYSA-N 1 0 423.517 0.587 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000061878392 1079917229 /nfs/dbraw/zinc/91/72/29/1079917229.db2.gz OCEYXWLFOSOEGO-UHFFFAOYSA-N 1 0 423.517 0.919 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000061878571 1079916930 /nfs/dbraw/zinc/91/69/30/1079916930.db2.gz AEWPDNASTBVWLZ-UHFFFAOYSA-N 1 0 405.543 0.842 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC3CCN(CC(=O)NC)CC3)cn2)CC1 ZINC000061927432 1079917775 /nfs/dbraw/zinc/91/77/75/1079917775.db2.gz FKPOOGIGTRDMOA-UHFFFAOYSA-N 1 0 417.558 0.233 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCNC(=O)c3cccnc3)cn2)CC1 ZINC000061927550 1079917615 /nfs/dbraw/zinc/91/76/15/1079917615.db2.gz BLEHEALVZNCCJX-UHFFFAOYSA-N 1 0 411.510 0.848 20 0 HCADRO CCS(=O)(=O)NCCNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000061967830 1079918472 /nfs/dbraw/zinc/91/84/72/1079918472.db2.gz DLIHAOHQDRQFQB-SFHVURJKSA-N 1 0 411.572 0.604 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000061968452 1079918368 /nfs/dbraw/zinc/91/83/68/1079918368.db2.gz UHWMXINJDJEHSY-UHFFFAOYSA-N 1 0 416.570 0.708 20 0 HCADRO CCS(=O)(=O)NCCNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000061968739 1079918510 /nfs/dbraw/zinc/91/85/10/1079918510.db2.gz HTJIHQRXXNRBJI-UHFFFAOYSA-N 1 0 411.572 0.433 20 0 HCADRO CCS(=O)(=O)NCCNC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000061985907 1079919138 /nfs/dbraw/zinc/91/91/38/1079919138.db2.gz YRDIHAPCTKBAAV-UHFFFAOYSA-N 1 0 411.572 0.746 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4nccn4)cc3)cn2)CC1 ZINC000062006215 1073909762 /nfs/dbraw/zinc/90/97/62/1073909762.db2.gz QYXUIVYPTQRZCX-UHFFFAOYSA-N 1 0 420.477 0.669 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000062006250 1079918883 /nfs/dbraw/zinc/91/88/83/1079918883.db2.gz ZMEDJFRNVGHOCJ-UHFFFAOYSA-N 1 0 411.462 0.875 20 0 HCADRO CCOC(=O)COc1cccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000062021150 1080430278 /nfs/dbraw/zinc/43/02/78/1080430278.db2.gz ZBHIACKJHSZBRS-UHFFFAOYSA-N 1 0 420.510 0.709 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2)N1CC[NH+](C)CC1 ZINC000062022230 1079919663 /nfs/dbraw/zinc/91/96/63/1079919663.db2.gz JPPKWCDDIDPLOG-GOSISDBHSA-N 1 0 401.511 0.898 20 0 HCADRO COC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000062022243 1080430457 /nfs/dbraw/zinc/43/04/57/1080430457.db2.gz YPXZWRULWUEJGM-SFHVURJKSA-N 1 0 420.510 0.565 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)Nc3ccc(-n4nccn4)cc3)ccn2)CC1 ZINC000062062687 1073936772 /nfs/dbraw/zinc/93/67/72/1073936772.db2.gz ALXQTYZMSVCDII-UHFFFAOYSA-N 1 0 420.477 0.669 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[NH+]1CCCC1 ZINC000062110563 1079920021 /nfs/dbraw/zinc/92/00/21/1079920021.db2.gz VTXGSWJUJZFWCM-OAHLLOKOSA-N 1 0 424.523 0.247 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000062120441 1073978199 /nfs/dbraw/zinc/97/81/99/1073978199.db2.gz PSFOCALWSRSXFH-JKSUJKDBSA-N 1 0 401.511 0.940 20 0 HCADRO C[N@H+](CCCNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)C1CCCCC1 ZINC000062127973 1074679910 /nfs/dbraw/zinc/67/99/10/1074679910.db2.gz HGDZMOKAYJLGNQ-UHFFFAOYSA-N 1 0 417.510 0.611 20 0 HCADRO NC(=O)Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000062150790 1075579770 /nfs/dbraw/zinc/57/97/70/1075579770.db2.gz AAQKKQQQPMVUPB-UHFFFAOYSA-N 1 0 423.517 0.981 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000062151177 1079920096 /nfs/dbraw/zinc/92/00/96/1079920096.db2.gz KRTAUCFFFDITBR-UHFFFAOYSA-N 1 0 404.492 0.911 20 0 HCADRO COc1cc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)ccc1N1CCCC1=O ZINC000062155947 1075807372 /nfs/dbraw/zinc/80/73/72/1075807372.db2.gz DBTZCXKNWVTRJC-UHFFFAOYSA-N 1 0 418.494 0.989 20 0 HCADRO Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000062156054 1075809972 /nfs/dbraw/zinc/80/99/72/1075809972.db2.gz KJNJIIQVJIOFHC-UHFFFAOYSA-N 1 0 413.478 0.818 20 0 HCADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000062156056 1079920129 /nfs/dbraw/zinc/92/01/29/1079920129.db2.gz NNZPZJSYMULIDD-UHFFFAOYSA-N 1 0 419.511 0.551 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000062156057 1073991317 /nfs/dbraw/zinc/99/13/17/1073991317.db2.gz MSHYGRASQILAFN-UHFFFAOYSA-N 1 0 419.450 0.850 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000062156072 1079920181 /nfs/dbraw/zinc/92/01/81/1079920181.db2.gz YPQAZDVHOFTSAL-UHFFFAOYSA-N 1 0 424.523 0.294 20 0 HCADRO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000062197326 1079920644 /nfs/dbraw/zinc/92/06/44/1079920644.db2.gz JGPGAFWUVAQBNN-OAHLLOKOSA-N 1 0 410.540 0.913 20 0 HCADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1CCC[N@H+](Cc3ccccc3)C1)c(=O)n2C ZINC000062231293 1080444222 /nfs/dbraw/zinc/44/42/22/1080444222.db2.gz QVLFPGGMSUJKIK-QGZVFWFLSA-N 1 0 424.505 0.462 20 0 HCADRO Cc1ccccc1C1(C[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CCOCC1 ZINC000062240197 1079921626 /nfs/dbraw/zinc/92/16/26/1079921626.db2.gz CCAGBGHHIWADNI-HNNXBMFYSA-N 1 0 414.506 0.884 20 0 HCADRO COc1cc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc(OC)c1OCC(N)=O ZINC000062259010 1080448955 /nfs/dbraw/zinc/44/89/55/1080448955.db2.gz NJJJGPDBMWMQJC-ZDUSSCGKSA-N 1 0 401.485 0.082 20 0 HCADRO Cc1cc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1-n1cnnn1 ZINC000062387892 1079921614 /nfs/dbraw/zinc/92/16/14/1079921614.db2.gz IXNRMWZMWXDEKQ-UHFFFAOYSA-N 1 0 400.487 0.892 20 0 HCADRO Cc1ccc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1-n1cnnn1 ZINC000062387965 1079921572 /nfs/dbraw/zinc/92/15/72/1079921572.db2.gz CXTIHXDSJAFCIY-UHFFFAOYSA-N 1 0 400.487 0.892 20 0 HCADRO Cc1nnnn1-c1cccc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000062389217 1079921430 /nfs/dbraw/zinc/92/14/30/1079921430.db2.gz OGKHMPPAUWGXOO-UHFFFAOYSA-N 1 0 400.487 0.892 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000062402521 1074063020 /nfs/dbraw/zinc/06/30/20/1074063020.db2.gz COQRZMZTVQXIMY-CYBMUJFWSA-N 1 0 412.418 0.946 20 0 HCADRO CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000062486325 1074148360 /nfs/dbraw/zinc/14/83/60/1074148360.db2.gz KNXPWADFQVBCNV-UHFFFAOYSA-N 1 0 413.563 0.951 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000062504058 1079922007 /nfs/dbraw/zinc/92/20/07/1079922007.db2.gz JCEBJEMNUVRHRO-AWEZNQCLSA-N 1 0 408.528 0.919 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000062505245 1079921963 /nfs/dbraw/zinc/92/19/63/1079921963.db2.gz ZLBWKMSYXVFXKW-HRCADAONSA-N 1 0 405.565 0.008 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000062505604 1079922165 /nfs/dbraw/zinc/92/21/65/1079922165.db2.gz KXTJSBQNMDUXRQ-ZDUSSCGKSA-N 1 0 404.558 0.908 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000062505627 1079922075 /nfs/dbraw/zinc/92/20/75/1079922075.db2.gz DWQVJXQJPKEUQA-INIZCTEOSA-N 1 0 412.556 0.988 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000062506836 1074151486 /nfs/dbraw/zinc/15/14/86/1074151486.db2.gz SAMAAIRIJJDGKF-CQSZACIVSA-N 1 0 411.528 0.755 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000062506900 1079921982 /nfs/dbraw/zinc/92/19/82/1079921982.db2.gz PGGRBHZAGFHNPZ-INIZCTEOSA-N 1 0 412.560 0.173 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000062507581 1074152304 /nfs/dbraw/zinc/15/23/04/1074152304.db2.gz KGYFHAHKYOTOOO-CQSZACIVSA-N 1 0 411.528 0.755 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000062586327 1079922932 /nfs/dbraw/zinc/92/29/32/1079922932.db2.gz MANCDWZIEZMZJV-MRXNPFEDSA-N 1 0 419.526 0.144 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000062586531 1079923046 /nfs/dbraw/zinc/92/30/46/1079923046.db2.gz BKGYOJHGDFNEOK-MRXNPFEDSA-N 1 0 403.527 0.398 20 0 HCADRO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000062586565 1079922828 /nfs/dbraw/zinc/92/28/28/1079922828.db2.gz MLENRHZADXTLRO-HNNXBMFYSA-N 1 0 419.526 0.478 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000062586598 1074174837 /nfs/dbraw/zinc/17/48/37/1074174837.db2.gz LUJQXLCPUZUSKO-CHOFAJOMSA-N 1 0 423.539 0.894 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000062586738 1079922986 /nfs/dbraw/zinc/92/29/86/1079922986.db2.gz XXFSFXWTXWDWEJ-QAPCUYQASA-N 1 0 418.494 0.096 20 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C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000062587217 1079922917 /nfs/dbraw/zinc/92/29/17/1079922917.db2.gz YJGLWRAOMCCMJW-CQSZACIVSA-N 1 0 412.512 0.102 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000062587218 1079922969 /nfs/dbraw/zinc/92/29/69/1079922969.db2.gz LVYUADGZBLXZNN-CQSZACIVSA-N 1 0 412.512 0.102 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000062587256 1079922751 /nfs/dbraw/zinc/92/27/51/1079922751.db2.gz PVVCCVJDSMJZQZ-LLVKDONJSA-N 1 0 404.920 0.985 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000062587370 1079922815 /nfs/dbraw/zinc/92/28/15/1079922815.db2.gz KTZHAZRDKIJYEI-OAHLLOKOSA-N 1 0 405.499 0.352 20 0 HCADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000062587383 1079922908 /nfs/dbraw/zinc/92/29/08/1079922908.db2.gz VRTIEVABKGDDNP-LBPRGKRZSA-N 1 0 412.512 0.531 20 0 HCADRO C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C(=O)NCc1ccco1 ZINC000062629505 1079923514 /nfs/dbraw/zinc/92/35/14/1079923514.db2.gz RLHXHKDCWLOBCB-CQSZACIVSA-N 1 0 402.451 0.980 20 0 HCADRO CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000062631087 1079923572 /nfs/dbraw/zinc/92/35/72/1079923572.db2.gz HSNUPTVNLUHCSS-HZPDHXFCSA-N 1 0 403.527 0.792 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC000062644139 1074195519 /nfs/dbraw/zinc/19/55/19/1074195519.db2.gz HVXCODLSKDTHFI-UHFFFAOYSA-N 1 0 413.482 0.122 20 0 HCADRO CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000062644230 1079923976 /nfs/dbraw/zinc/92/39/76/1079923976.db2.gz CRHQCMPNZUTJGY-UHFFFAOYSA-N 1 0 417.510 0.890 20 0 HCADRO COCCOc1cccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000062644263 1079924220 /nfs/dbraw/zinc/92/42/20/1079924220.db2.gz ZZUKZCCEEHINTE-UHFFFAOYSA-N 1 0 420.510 0.567 20 0 HCADRO COC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000062644270 1074195401 /nfs/dbraw/zinc/19/54/01/1074195401.db2.gz RQRPBJVXESVSOW-UHFFFAOYSA-N 1 0 419.482 0.720 20 0 HCADRO COC(=O)Nc1cccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000062644271 1074195642 /nfs/dbraw/zinc/19/56/42/1074195642.db2.gz CAFGNXBNPRMVIX-UHFFFAOYSA-N 1 0 419.482 0.720 20 0 HCADRO CCOc1cc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1OC ZINC000062644281 1079924027 /nfs/dbraw/zinc/92/40/27/1079924027.db2.gz PJCVBAVPIIMCKR-UHFFFAOYSA-N 1 0 420.510 0.949 20 0 HCADRO CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000062644373 1079924098 /nfs/dbraw/zinc/92/40/98/1079924098.db2.gz YKHKGIYMBILGKU-UHFFFAOYSA-N 1 0 417.510 0.808 20 0 HCADRO COc1ccc(OC)c(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000062644409 1079924799 /nfs/dbraw/zinc/92/47/99/1079924799.db2.gz JCOGPHSGOPPIHW-UHFFFAOYSA-N 1 0 406.483 0.559 20 0 HCADRO COc1cc(C)c(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1OC ZINC000062644411 1079924710 /nfs/dbraw/zinc/92/47/10/1079924710.db2.gz WLPUKJOUOKWEKF-UHFFFAOYSA-N 1 0 420.510 0.867 20 0 HCADRO CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000062644430 1079924740 /nfs/dbraw/zinc/92/47/40/1079924740.db2.gz TZTBCUWBGSCNFV-UHFFFAOYSA-N 1 0 421.473 0.639 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000062644440 1079924755 /nfs/dbraw/zinc/92/47/55/1079924755.db2.gz PVVLTBVSUWZHSP-UHFFFAOYSA-N 1 0 412.494 0.727 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c(OC)c1 ZINC000062644448 1079924911 /nfs/dbraw/zinc/92/49/11/1079924911.db2.gz TUFYMVQBIMWGND-UHFFFAOYSA-N 1 0 406.483 0.559 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000062644464 1079924929 /nfs/dbraw/zinc/92/49/29/1079924929.db2.gz OXDLASZMCAKTJO-UHFFFAOYSA-N 1 0 400.401 0.959 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc(OC)c1 ZINC000062644475 1079924748 /nfs/dbraw/zinc/92/47/48/1079924748.db2.gz QYXYHFHDODXQOP-UHFFFAOYSA-N 1 0 406.483 0.559 20 0 HCADRO CCOC(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000062644509 1080487266 /nfs/dbraw/zinc/48/72/66/1080487266.db2.gz YFSUJLCETRKBME-UHFFFAOYSA-N 1 0 418.494 0.718 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1N(C)C ZINC000062644549 1074195416 /nfs/dbraw/zinc/19/54/16/1074195416.db2.gz SUKBPAXFTKITOI-UHFFFAOYSA-N 1 0 403.527 0.916 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000062644561 1079924715 /nfs/dbraw/zinc/92/47/15/1079924715.db2.gz UNXXSSCIZUNSMR-UHFFFAOYSA-N 1 0 404.467 0.328 20 0 HCADRO Cn1cc(S(=O)(=O)NCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000063080201 1080515115 /nfs/dbraw/zinc/51/51/15/1080515115.db2.gz YKJSBLHKRIBTME-UHFFFAOYSA-N 1 0 405.524 0.727 20 0 HCADRO Cn1cnc2c1c(=O)n(CC(=O)NCC1CC[NH+](Cc3ccccc3)CC1)c(=O)n2C ZINC000063081105 1080514982 /nfs/dbraw/zinc/51/49/82/1080514982.db2.gz MAPTYUIXDKZCHF-UHFFFAOYSA-N 1 0 424.505 0.462 20 0 HCADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000063114238 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WBGZZKDHXZIROW-CYBMUJFWSA-N 1 0 409.284 0.588 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000195575996 1078486542 /nfs/dbraw/zinc/48/65/42/1078486542.db2.gz WBGZZKDHXZIROW-ZDUSSCGKSA-N 1 0 409.284 0.588 20 0 HCADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000195585231 1078499564 /nfs/dbraw/zinc/49/95/64/1078499564.db2.gz NXNCWKSIGBHEFR-UHFFFAOYSA-N 1 0 406.911 0.862 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000195591924 1077619105 /nfs/dbraw/zinc/61/91/05/1077619105.db2.gz JLQTZOHOMMRGOM-SFHVURJKSA-N 1 0 413.522 0.201 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000195591925 1077620030 /nfs/dbraw/zinc/62/00/30/1077620030.db2.gz JLQTZOHOMMRGOM-GOSISDBHSA-N 1 0 413.522 0.201 20 0 HCADRO C[C@@H](CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C[NH+]1CCN(C)CC1 ZINC000195592411 1077620107 /nfs/dbraw/zinc/62/01/07/1077620107.db2.gz KPTFLLDATGTKOD-SFHVURJKSA-N 1 0 413.522 0.058 20 0 HCADRO C[C@H](CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C[NH+]1CCN(C)CC1 ZINC000195592412 1077619959 /nfs/dbraw/zinc/61/99/59/1077619959.db2.gz KPTFLLDATGTKOD-GOSISDBHSA-N 1 0 413.522 0.058 20 0 HCADRO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCCCC[NH+]1CCOCC1 ZINC000195604047 1078520155 /nfs/dbraw/zinc/52/01/55/1078520155.db2.gz RQEBBHIOXBVJMU-UHFFFAOYSA-N 1 0 400.479 0.287 20 0 HCADRO O=C(CCN1CCCS1(=O)=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000195651121 1077624234 /nfs/dbraw/zinc/62/42/34/1077624234.db2.gz VLZIVXWBNKRASJ-UHFFFAOYSA-N 1 0 408.568 0.736 20 0 HCADRO C[NH+](C)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000195664760 1078588855 /nfs/dbraw/zinc/58/88/55/1078588855.db2.gz QUUZQYZVGXFOSQ-UHFFFAOYSA-N 1 0 412.531 0.685 20 0 HCADRO C[NH+](C)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000195664787 1078591211 /nfs/dbraw/zinc/59/12/11/1078591211.db2.gz CDTZDUKBWVJHPN-UHFFFAOYSA-N 1 0 412.531 0.685 20 0 HCADRO CCCCN(C(=O)CN1CCC([NH+](C)C)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000195664790 1078591258 /nfs/dbraw/zinc/59/12/58/1078591258.db2.gz XASAYCSSXADPAD-UHFFFAOYSA-N 1 0 408.547 0.688 20 0 HCADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000195676297 1077624533 /nfs/dbraw/zinc/62/45/33/1077624533.db2.gz GAQLLDOUFCJGAA-OAHLLOKOSA-N 1 0 400.570 0.655 20 0 HCADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000195676298 1077624949 /nfs/dbraw/zinc/62/49/49/1077624949.db2.gz GAQLLDOUFCJGAA-HNNXBMFYSA-N 1 0 400.570 0.655 20 0 HCADRO COCC[NH+]1CCC(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000195686613 1077624947 /nfs/dbraw/zinc/62/49/47/1077624947.db2.gz TZGKUJUOYBJKOA-UHFFFAOYSA-N 1 0 400.479 0.285 20 0 HCADRO NC(=O)c1cccc(S(=O)(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000195698110 1078659497 /nfs/dbraw/zinc/65/94/97/1078659497.db2.gz DEEGLKDFXNLPOV-UHFFFAOYSA-N 1 0 402.520 0.882 20 0 HCADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000195724781 1077626212 /nfs/dbraw/zinc/62/62/12/1077626212.db2.gz RILZJHUUPVGKMB-UHFFFAOYSA-N 1 0 404.483 0.771 20 0 HCADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000195724813 1077627053 /nfs/dbraw/zinc/62/70/53/1077627053.db2.gz AXQFGDIVNCMOQL-UHFFFAOYSA-N 1 0 404.483 0.771 20 0 HCADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000226692929 1078227813 /nfs/dbraw/zinc/22/78/13/1078227813.db2.gz IVQPMWGWVRUSLE-CVEARBPZSA-N 1 0 405.543 0.681 20 0 HCADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000227413643 1077655039 /nfs/dbraw/zinc/65/50/39/1077655039.db2.gz UVOVGZPCCYAPNW-CVEARBPZSA-N 1 0 422.551 0.657 20 0 HCADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000228020180 1077701840 /nfs/dbraw/zinc/70/18/40/1077701840.db2.gz NBMKLQVXLJULQK-HEHGZKQESA-N 1 0 401.515 0.966 20 0 HCADRO C[C@@H]1NC(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)=NN(c2ccccc2)C1=O ZINC000228947656 1073481314 /nfs/dbraw/zinc/48/13/14/1073481314.db2.gz YLABYICPDINMNL-LSDHHAIUSA-N 1 0 400.483 0.028 20 0 HCADRO C[C@H]1NC(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)=NN(c2ccccc2)C1=O ZINC000228947671 1073482388 /nfs/dbraw/zinc/48/23/88/1073482388.db2.gz YLABYICPDINMNL-HUUCEWRRSA-N 1 0 400.483 0.028 20 0 HCADRO COc1ccc([C@@H](CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)NC(C)=O)cc1 ZINC000229081461 1078367744 /nfs/dbraw/zinc/36/77/44/1078367744.db2.gz ZJXOXIHIHLXVNV-IEBWSBKVSA-N 1 0 404.511 0.966 20 0 HCADRO COc1ccc([C@H](CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)NC(C)=O)cc1 ZINC000229081476 1078367675 /nfs/dbraw/zinc/36/76/75/1078367675.db2.gz ZJXOXIHIHLXVNV-MJGOQNOKSA-N 1 0 404.511 0.966 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C1 ZINC000229375271 1077740777 /nfs/dbraw/zinc/74/07/77/1077740777.db2.gz QXDJZAVDRKDRPT-AEFFLSMTSA-N 1 0 422.551 0.543 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)C1 ZINC000229432059 1073669268 /nfs/dbraw/zinc/66/92/68/1073669268.db2.gz NNDQCBGIOFNTGI-QRWLVFNGSA-N 1 0 403.483 0.322 20 0 HCADRO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CC[C@@H]([NH+]4CCCC4)C3)C2=O)c1 ZINC000229550214 1073720066 /nfs/dbraw/zinc/72/00/66/1073720066.db2.gz VZQDOOOKOSFEPY-IIBYNOLFSA-N 1 0 415.494 0.664 20 0 HCADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CC[C@@H]([NH+]4CCCC4)C3)C2=O)c1 ZINC000229550231 1073719849 /nfs/dbraw/zinc/71/98/49/1073719849.db2.gz VZQDOOOKOSFEPY-IERDGZPVSA-N 1 0 415.494 0.664 20 0 HCADRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cn(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000236958529 1079235338 /nfs/dbraw/zinc/23/53/38/1079235338.db2.gz NLVKTZNKFQSYGX-UHFFFAOYSA-N 1 0 400.479 0.877 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cn(C)c(=O)n(C)c2=O)s1 ZINC000236995522 1079236360 /nfs/dbraw/zinc/23/63/60/1079236360.db2.gz OLCYDQPQVRODEC-UHFFFAOYSA-N 1 0 414.553 0.508 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000237009966 1079236884 /nfs/dbraw/zinc/23/68/84/1079236884.db2.gz XHIFJOJPQGPPTJ-CQSZACIVSA-N 1 0 408.524 0.965 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000237013440 1079236922 /nfs/dbraw/zinc/23/69/22/1079236922.db2.gz XHIFJOJPQGPPTJ-AWEZNQCLSA-N 1 0 408.524 0.965 20 0 HCADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3cn(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000237089282 1079238010 /nfs/dbraw/zinc/23/80/10/1079238010.db2.gz PVMVGWBLVFKEAC-UHFFFAOYSA-N 1 0 420.535 0.636 20 0 HCADRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000237126818 1079238475 /nfs/dbraw/zinc/23/84/75/1079238475.db2.gz MIPOJRRYOVXEDO-UHFFFAOYSA-N 1 0 400.479 0.416 20 0 HCADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000237144310 1079238815 /nfs/dbraw/zinc/23/88/15/1079238815.db2.gz HFXSIFGWPIVGIV-UHFFFAOYSA-N 1 0 423.311 0.985 20 0 HCADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cn(C)c(=O)n(C)c3=O)cc2)C[C@H](C)O1 ZINC000237549178 1079243206 /nfs/dbraw/zinc/24/32/06/1079243206.db2.gz HHICNILPQBARHY-GASCZTMLSA-N 1 0 400.479 0.623 20 0 HCADRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cn(C)c(=O)n(C)c3=O)cc2)C[C@H](C)O1 ZINC000237549218 1079243189 /nfs/dbraw/zinc/24/31/89/1079243189.db2.gz HHICNILPQBARHY-GJZGRUSLSA-N 1 0 400.479 0.623 20 0 HCADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cn(C)c(=O)n(C)c3=O)cc2)C[C@@H](C)O1 ZINC000237658897 1079243231 /nfs/dbraw/zinc/24/32/31/1079243231.db2.gz HHICNILPQBARHY-HUUCEWRRSA-N 1 0 400.479 0.623 20 0 HCADRO Cn1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)n(C)c1=O ZINC000237670556 1079243154 /nfs/dbraw/zinc/24/31/54/1079243154.db2.gz VHXXWSMLPHPIRT-UHFFFAOYSA-N 1 0 406.508 0.548 20 0 HCADRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c(=O)n(C)c1=O ZINC000237676828 1079243652 /nfs/dbraw/zinc/24/36/52/1079243652.db2.gz AQSLMIXSYVLDMD-OAHLLOKOSA-N 1 0 408.405 0.971 20 0 HCADRO Cn1cc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c(=O)n(C)c1=O ZINC000237677353 1079243833 /nfs/dbraw/zinc/24/38/33/1079243833.db2.gz ZABVPMLVXAUPJQ-CQSZACIVSA-N 1 0 412.368 0.878 20 0 HCADRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c(=O)n(C)c1=O ZINC000237680496 1079243705 /nfs/dbraw/zinc/24/37/05/1079243705.db2.gz AQSLMIXSYVLDMD-HNNXBMFYSA-N 1 0 408.405 0.971 20 0 HCADRO Cn1cc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c(=O)n(C)c1=O ZINC000237680844 1079243766 /nfs/dbraw/zinc/24/37/66/1079243766.db2.gz ZABVPMLVXAUPJQ-AWEZNQCLSA-N 1 0 412.368 0.878 20 0 HCADRO O=C(NCCN1CC[NH2+]CC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000237726304 1078674697 /nfs/dbraw/zinc/67/46/97/1078674697.db2.gz HJEWYUKTNMXUBM-UHFFFAOYSA-N 1 0 400.932 0.760 20 0 HCADRO O=C(NCCN1CC[NH2+]CC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000237766228 1078681995 /nfs/dbraw/zinc/68/19/95/1078681995.db2.gz ZORLQQHDNFPWPC-UHFFFAOYSA-N 1 0 400.932 0.760 20 0 HCADRO Cn1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000237782804 1079243523 /nfs/dbraw/zinc/24/35/23/1079243523.db2.gz WYIKQRVWGZXRMF-UHFFFAOYSA-N 1 0 409.284 0.756 20 0 HCADRO Cn1cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c(=O)n(C)c1=O ZINC000237782937 1077904770 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0.168 20 0 HCADRO Cn1cc(C[NH2+]CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O ZINC000237904219 1079244904 /nfs/dbraw/zinc/24/49/04/1079244904.db2.gz DOHMYUOXXGZCPM-UHFFFAOYSA-N 1 0 405.886 0.176 20 0 HCADRO Cn1cc(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)n(C)c1=O ZINC000237909739 1079244602 /nfs/dbraw/zinc/24/46/02/1079244602.db2.gz QTUHYTYFCJTVMT-UHFFFAOYSA-N 1 0 406.508 0.275 20 0 HCADRO O=C(NCCN1CC[NH2+]CC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000238078321 1078731906 /nfs/dbraw/zinc/73/19/06/1078731906.db2.gz ADRYUQDPGOYAPG-CAOOACKPSA-N 1 0 406.552 0.721 20 0 HCADRO O[C@H](C[NH2+]C1CCN(CCN2CCOCC2)CC1)CN1CCc2ccccc2C1 ZINC000238121775 1077907277 /nfs/dbraw/zinc/90/72/77/1077907277.db2.gz GNDUCLMVJNPPAJ-HSZRJFAPSA-N 1 0 402.583 0.792 20 0 HCADRO CN(CCCC(=O)NCCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000248052229 1078823218 /nfs/dbraw/zinc/82/32/18/1078823218.db2.gz RLSQCVPMWLFBSV-UHFFFAOYSA-N 1 0 414.547 0.980 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)c3cccs3)CC2)C1 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419.551 0.962 20 0 HCADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cn1C ZINC000303112116 1077819124 /nfs/dbraw/zinc/81/91/24/1077819124.db2.gz LAHACFRPBKOVEI-INIZCTEOSA-N 1 0 411.503 0.955 20 0 HCADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cn1C ZINC000303112118 1077819136 /nfs/dbraw/zinc/81/91/36/1077819136.db2.gz LAHACFRPBKOVEI-MRXNPFEDSA-N 1 0 411.503 0.955 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)C2)CC1 ZINC000303251837 1080342707 /nfs/dbraw/zinc/34/27/07/1080342707.db2.gz BCHNZYHTLFXQER-HOTGVXAUSA-N 1 0 412.531 0.731 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)C2)CC1 ZINC000303251838 1080342676 /nfs/dbraw/zinc/34/26/76/1080342676.db2.gz BCHNZYHTLFXQER-JKSUJKDBSA-N 1 0 412.531 0.731 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)C2)CC1 ZINC000303276330 1077821249 /nfs/dbraw/zinc/82/12/49/1077821249.db2.gz HMKVDYJDPALYOG-GOSISDBHSA-N 1 0 406.552 0.861 20 0 HCADRO 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VNJMEOIKOHQWKP-QGZVFWFLSA-N 1 0 412.531 0.685 20 0 HCADRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C[NH+]1CCN(C)CC1 ZINC000303528891 1077235231 /nfs/dbraw/zinc/23/52/31/1077235231.db2.gz GVOIXQHFYOLAMJ-GFCCVEGCSA-N 1 0 408.977 0.680 20 0 HCADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C[NH+]1CCN(C)CC1 ZINC000303528893 1077235370 /nfs/dbraw/zinc/23/53/70/1077235370.db2.gz GVOIXQHFYOLAMJ-LBPRGKRZSA-N 1 0 408.977 0.680 20 0 HCADRO C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H]1CCc2ccccc2C1 ZINC000303529582 1077824325 /nfs/dbraw/zinc/82/43/25/1077824325.db2.gz FMPNVDITEVKZGY-NRFANRHFSA-N 1 0 414.550 0.479 20 0 HCADRO C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1CCc2ccccc2C1 ZINC000303529584 1077824406 /nfs/dbraw/zinc/82/44/06/1077824406.db2.gz FMPNVDITEVKZGY-OAQYLSRUSA-N 1 0 414.550 0.479 20 0 HCADRO CC(C)[C@@H](CNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O)[NH+]1CCN(C)CC1 ZINC000303530417 1077239171 /nfs/dbraw/zinc/23/91/71/1077239171.db2.gz GIDNVHSXLUUELB-GOSISDBHSA-N 1 0 401.511 0.880 20 0 HCADRO CC(C)[C@H](CNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O)[NH+]1CCN(C)CC1 ZINC000303530419 1077239028 /nfs/dbraw/zinc/23/90/28/1077239028.db2.gz GIDNVHSXLUUELB-SFHVURJKSA-N 1 0 401.511 0.880 20 0 HCADRO NS(=O)(=O)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000303536211 1077824559 /nfs/dbraw/zinc/82/45/59/1077824559.db2.gz STAUXKFTKXOWEY-INIZCTEOSA-N 1 0 420.457 0.789 20 0 HCADRO NS(=O)(=O)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000303536220 1077824520 /nfs/dbraw/zinc/82/45/20/1077824520.db2.gz STAUXKFTKXOWEY-MRXNPFEDSA-N 1 0 420.457 0.789 20 0 HCADRO COc1ccc([C@H](CO)[N@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000303539199 1077239559 /nfs/dbraw/zinc/23/95/59/1077239559.db2.gz HPVMGRPRUTXAHE-INIZCTEOSA-N 1 0 401.467 0.498 20 0 HCADRO COc1ccc([C@@H](CO)[N@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000303539201 1077239804 /nfs/dbraw/zinc/23/98/04/1077239804.db2.gz HPVMGRPRUTXAHE-MRXNPFEDSA-N 1 0 401.467 0.498 20 0 HCADRO Cn1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)c(=O)n(C)c1=O ZINC000303541371 1077242753 /nfs/dbraw/zinc/24/27/53/1077242753.db2.gz UATMUTLZNBIVLU-UHFFFAOYSA-N 1 0 420.535 0.939 20 0 HCADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000303542074 1077824809 /nfs/dbraw/zinc/82/48/09/1077824809.db2.gz IAGBNINWBWPEHW-UHFFFAOYSA-N 1 0 400.531 0.474 20 0 HCADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)CC1)N1CCOCC1 ZINC000303544601 1077824793 /nfs/dbraw/zinc/82/47/93/1077824793.db2.gz IQGPCBBRLUOVDN-JOCHJYFZSA-N 1 0 404.555 0.812 20 0 HCADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)CC1)N1CCOCC1 ZINC000303544602 1077824761 /nfs/dbraw/zinc/82/47/61/1077824761.db2.gz IQGPCBBRLUOVDN-QFIPXVFZSA-N 1 0 404.555 0.812 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1=O ZINC000303558345 1077245363 /nfs/dbraw/zinc/24/53/63/1077245363.db2.gz MXSAACGRVCXRJR-HNNXBMFYSA-N 1 0 404.486 0.957 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1=O ZINC000303558346 1077245294 /nfs/dbraw/zinc/24/52/94/1077245294.db2.gz MXSAACGRVCXRJR-OAHLLOKOSA-N 1 0 404.486 0.957 20 0 HCADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)CC1 ZINC000303566566 1077824993 /nfs/dbraw/zinc/82/49/93/1077824993.db2.gz MCAUCVYMOGKGCL-UHFFFAOYSA-N 1 0 407.603 0.996 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1 ZINC000303569933 1077249159 /nfs/dbraw/zinc/24/91/59/1077249159.db2.gz OQZMHZQBJGCSPI-UHFFFAOYSA-N 1 0 407.540 0.885 20 0 HCADRO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1 ZINC000303570498 1077250757 /nfs/dbraw/zinc/25/07/57/1077250757.db2.gz LCWPNYHAQBLHBY-HNNXBMFYSA-N 1 0 407.540 0.741 20 0 HCADRO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1 ZINC000303570509 1077250681 /nfs/dbraw/zinc/25/06/81/1077250681.db2.gz LCWPNYHAQBLHBY-OAHLLOKOSA-N 1 0 407.540 0.741 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1=O ZINC000303575885 1077251445 /nfs/dbraw/zinc/25/14/45/1077251445.db2.gz PVILIZCZHQHLML-HKUYNNGSSA-N 1 0 406.502 0.725 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1=O ZINC000303575886 1077251491 /nfs/dbraw/zinc/25/14/91/1077251491.db2.gz PVILIZCZHQHLML-IEBWSBKVSA-N 1 0 406.502 0.725 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1=O ZINC000303575887 1077251392 /nfs/dbraw/zinc/25/13/92/1077251392.db2.gz PVILIZCZHQHLML-MJGOQNOKSA-N 1 0 406.502 0.725 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1=O ZINC000303575888 1077251417 /nfs/dbraw/zinc/25/14/17/1077251417.db2.gz PVILIZCZHQHLML-PKOBYXMFSA-N 1 0 406.502 0.725 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1=O ZINC000303580070 1077252149 /nfs/dbraw/zinc/25/21/49/1077252149.db2.gz QUHZWZRBSMUNBL-KRWDZBQOSA-N 1 0 422.489 0.893 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1=O ZINC000303580071 1077252076 /nfs/dbraw/zinc/25/20/76/1077252076.db2.gz QUHZWZRBSMUNBL-QGZVFWFLSA-N 1 0 422.489 0.893 20 0 HCADRO C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C[NH+]1CCN(C)CC1 ZINC000303580552 1077255602 /nfs/dbraw/zinc/25/56/02/1077255602.db2.gz QXFBEGGXRRBOLA-HNNXBMFYSA-N 1 0 416.975 0.960 20 0 HCADRO C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C[NH+]1CCN(C)CC1 ZINC000303580553 1077255456 /nfs/dbraw/zinc/25/54/56/1077255456.db2.gz QXFBEGGXRRBOLA-OAHLLOKOSA-N 1 0 416.975 0.960 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC1=O ZINC000303581786 1077255420 /nfs/dbraw/zinc/25/54/20/1077255420.db2.gz RFAOXQDQIKPRLK-MOPGFXCFSA-N 1 0 400.523 0.746 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC1=O ZINC000303581787 1077255665 /nfs/dbraw/zinc/25/56/65/1077255665.db2.gz RFAOXQDQIKPRLK-OALUTQOASA-N 1 0 400.523 0.746 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)CC1=O ZINC000303581788 1077255393 /nfs/dbraw/zinc/25/53/93/1077255393.db2.gz RFAOXQDQIKPRLK-RBUKOAKNSA-N 1 0 400.523 0.746 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)CC1=O ZINC000303581789 1077255521 /nfs/dbraw/zinc/25/55/21/1077255521.db2.gz RFAOXQDQIKPRLK-RTBURBONSA-N 1 0 400.523 0.746 20 0 HCADRO Cc1ccc(CC(=O)N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)cc1 ZINC000303581872 1077255638 /nfs/dbraw/zinc/25/56/38/1077255638.db2.gz RHKTUCAMNSHPIW-IBGZPJMESA-N 1 0 400.523 0.618 20 0 HCADRO Cc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)cc1 ZINC000303581873 1077255873 /nfs/dbraw/zinc/25/58/73/1077255873.db2.gz RHKTUCAMNSHPIW-LJQANCHMSA-N 1 0 400.523 0.618 20 0 HCADRO C[C@H](CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[NH+](C)CC1 ZINC000303583590 1077256092 /nfs/dbraw/zinc/25/60/92/1077256092.db2.gz RVOMGWVKYSHAAV-GFCCVEGCSA-N 1 0 423.311 0.797 20 0 HCADRO C[C@@H](CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[NH+](C)CC1 ZINC000303583592 1077255954 /nfs/dbraw/zinc/25/59/54/1077255954.db2.gz RVOMGWVKYSHAAV-LBPRGKRZSA-N 1 0 423.311 0.797 20 0 HCADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303583862 1077256196 /nfs/dbraw/zinc/25/61/96/1077256196.db2.gz KXCBTVXNXLEJMH-BZUAXINKSA-N 1 0 405.543 0.824 20 0 HCADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303583870 1077256027 /nfs/dbraw/zinc/25/60/27/1077256027.db2.gz KXCBTVXNXLEJMH-OAGGEKHMSA-N 1 0 405.543 0.824 20 0 HCADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303583872 1077256052 /nfs/dbraw/zinc/25/60/52/1077256052.db2.gz KXCBTVXNXLEJMH-OWCLPIDISA-N 1 0 405.543 0.824 20 0 HCADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303583875 1077256137 /nfs/dbraw/zinc/25/61/37/1077256137.db2.gz KXCBTVXNXLEJMH-PMPSAXMXSA-N 1 0 405.543 0.824 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)CC1=O ZINC000303598706 1077258644 /nfs/dbraw/zinc/25/86/44/1077258644.db2.gz WYHBIQGZGRYDND-AWEZNQCLSA-N 1 0 424.343 0.903 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)CC1=O ZINC000303598709 1077258701 /nfs/dbraw/zinc/25/87/01/1077258701.db2.gz WYHBIQGZGRYDND-CQSZACIVSA-N 1 0 424.343 0.903 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000303603086 1077259574 /nfs/dbraw/zinc/25/95/74/1077259574.db2.gz XQFXUHSZQGVAIB-UHFFFAOYSA-N 1 0 401.511 0.614 20 0 HCADRO C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000303607709 1077260158 /nfs/dbraw/zinc/26/01/58/1077260158.db2.gz YJLRPSJXYUNVQT-HNNXBMFYSA-N 1 0 400.520 0.494 20 0 HCADRO C[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000303607713 1077260113 /nfs/dbraw/zinc/26/01/13/1077260113.db2.gz YJLRPSJXYUNVQT-OAHLLOKOSA-N 1 0 400.520 0.494 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000303608702 1077260197 /nfs/dbraw/zinc/26/01/97/1077260197.db2.gz QTVMADDDPXFSEI-KRWDZBQOSA-N 1 0 410.584 0.917 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000303608703 1077260048 /nfs/dbraw/zinc/26/00/48/1077260048.db2.gz QTVMADDDPXFSEI-QGZVFWFLSA-N 1 0 410.584 0.917 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000303633890 1077261556 /nfs/dbraw/zinc/26/15/56/1077261556.db2.gz UKDNOXQGFBTGDK-INIZCTEOSA-N 1 0 414.547 0.884 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000303633892 1077261653 /nfs/dbraw/zinc/26/16/53/1077261653.db2.gz UKDNOXQGFBTGDK-MRXNPFEDSA-N 1 0 414.547 0.884 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000303639680 1077261421 /nfs/dbraw/zinc/26/14/21/1077261421.db2.gz VHQOHKVYUXGPMI-GFCCVEGCSA-N 1 0 408.977 0.822 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000303639686 1077261631 /nfs/dbraw/zinc/26/16/31/1077261631.db2.gz VHQOHKVYUXGPMI-LBPRGKRZSA-N 1 0 408.977 0.822 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1=O ZINC000303647213 1077826716 /nfs/dbraw/zinc/82/67/16/1077826716.db2.gz AFJVAVIFNDFRBO-AWEZNQCLSA-N 1 0 408.449 0.659 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1=O ZINC000303647215 1077826657 /nfs/dbraw/zinc/82/66/57/1077826657.db2.gz AFJVAVIFNDFRBO-CQSZACIVSA-N 1 0 408.449 0.659 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)NCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000303698391 1080356863 /nfs/dbraw/zinc/35/68/63/1080356863.db2.gz NPBKMXPGLNTRTN-GFCCVEGCSA-N 1 0 411.300 0.914 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)NCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000303698392 1080356963 /nfs/dbraw/zinc/35/69/63/1080356963.db2.gz NPBKMXPGLNTRTN-LBPRGKRZSA-N 1 0 411.300 0.914 20 0 HCADRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000303702448 1080356842 /nfs/dbraw/zinc/35/68/42/1080356842.db2.gz XNADDMHZSZGZSH-AWEZNQCLSA-N 1 0 406.508 0.588 20 0 HCADRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000303702451 1080356823 /nfs/dbraw/zinc/35/68/23/1080356823.db2.gz XNADDMHZSZGZSH-CQSZACIVSA-N 1 0 406.508 0.588 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)n2nnnc2C)CC1 ZINC000303719398 1080357608 /nfs/dbraw/zinc/35/76/08/1080357608.db2.gz RJELJEHRTYIOKQ-IBGZPJMESA-N 1 0 413.526 0.778 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)CC1 ZINC000303719401 1080357700 /nfs/dbraw/zinc/35/77/00/1080357700.db2.gz RJELJEHRTYIOKQ-LJQANCHMSA-N 1 0 413.526 0.778 20 0 HCADRO CC(=O)N1CCN(C(=O)[C@H](C)N(C)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000303729000 1080358289 /nfs/dbraw/zinc/35/82/89/1080358289.db2.gz DBWQZYWBFJHXGI-IBGZPJMESA-N 1 0 401.555 0.820 20 0 HCADRO CC(=O)N1CCN(C(=O)[C@@H](C)N(C)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000303729001 1080358139 /nfs/dbraw/zinc/35/81/39/1080358139.db2.gz DBWQZYWBFJHXGI-LJQANCHMSA-N 1 0 401.555 0.820 20 0 HCADRO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000303761502 1077828821 /nfs/dbraw/zinc/82/88/21/1077828821.db2.gz KWTWIEUKRRJYSG-HNNXBMFYSA-N 1 0 400.479 0.697 20 0 HCADRO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000303761503 1077828793 /nfs/dbraw/zinc/82/87/93/1077828793.db2.gz KWTWIEUKRRJYSG-OAHLLOKOSA-N 1 0 400.479 0.697 20 0 HCADRO Cc1nc2c(cnn2C)c(N2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n1 ZINC000303835023 1077270849 /nfs/dbraw/zinc/27/08/49/1077270849.db2.gz AMVPOIALOSNVRU-KRWDZBQOSA-N 1 0 409.498 0.723 20 0 HCADRO Cc1nc2c(cnn2C)c(N2CCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n1 ZINC000303835027 1077270888 /nfs/dbraw/zinc/27/08/88/1077270888.db2.gz AMVPOIALOSNVRU-QGZVFWFLSA-N 1 0 409.498 0.723 20 0 HCADRO Cc1cc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)nc(C(C)C)n1 ZINC000303872437 1080364148 /nfs/dbraw/zinc/36/41/48/1080364148.db2.gz VDSLAKREGUVTDM-KRWDZBQOSA-N 1 0 402.543 0.967 20 0 HCADRO Cc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)nc(C(C)C)n1 ZINC000303872438 1080363922 /nfs/dbraw/zinc/36/39/22/1080363922.db2.gz VDSLAKREGUVTDM-QGZVFWFLSA-N 1 0 402.543 0.967 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000303911316 1080365385 /nfs/dbraw/zinc/36/53/85/1080365385.db2.gz XDGOBCBOHHVMHP-FQEVSTJZSA-N 1 0 401.555 0.331 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000303911318 1080365353 /nfs/dbraw/zinc/36/53/53/1080365353.db2.gz XDGOBCBOHHVMHP-HXUWFJFHSA-N 1 0 401.555 0.331 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000322527805 1077994634 /nfs/dbraw/zinc/99/46/34/1077994634.db2.gz VPKGFTODUGMKMH-UHFFFAOYSA-N 1 0 408.293 0.983 20 0 HCADRO COc1cc(Br)c(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1OC ZINC000324636530 1079083862 /nfs/dbraw/zinc/08/38/62/1079083862.db2.gz SMZUJHDACHUVOJ-UHFFFAOYSA-N 1 0 422.301 0.176 20 0 HCADRO NC(=O)C1([NH2+]CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCCCC1 ZINC000428758305 1074574069 /nfs/dbraw/zinc/57/40/69/1074574069.db2.gz LBEMFTCTNMICAL-UHFFFAOYSA-N 1 0 422.551 0.438 20 0 HCADRO CC(C)NS(=O)(=O)NCCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000428759139 1074572276 /nfs/dbraw/zinc/57/22/76/1074572276.db2.gz NZPFNYNZIXPAEA-UHFFFAOYSA-N 1 0 401.533 0.259 20 0 HCADRO COc1ccc(NC(=O)C[NH2+]C2(C(N)=O)CCCCC2)cc1S(=O)(=O)N(C)C ZINC000428759604 1074587696 /nfs/dbraw/zinc/58/76/96/1074587696.db2.gz POCNSEPSFHGXTL-UHFFFAOYSA-N 1 0 412.512 0.662 20 0 HCADRO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(OC)c1 ZINC000428765101 1074626832 /nfs/dbraw/zinc/62/68/32/1074626832.db2.gz IQYCWUOWBMRUIN-CABCVRRESA-N 1 0 416.496 0.187 20 0 HCADRO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(OC)c1 ZINC000428765102 1074626892 /nfs/dbraw/zinc/62/68/92/1074626892.db2.gz IQYCWUOWBMRUIN-GJZGRUSLSA-N 1 0 416.496 0.187 20 0 HCADRO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(OC)c1 ZINC000428765103 1074626823 /nfs/dbraw/zinc/62/68/23/1074626823.db2.gz IQYCWUOWBMRUIN-HUUCEWRRSA-N 1 0 416.496 0.187 20 0 HCADRO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(OC)c1 ZINC000428765104 1074626758 /nfs/dbraw/zinc/62/67/58/1074626758.db2.gz IQYCWUOWBMRUIN-LSDHHAIUSA-N 1 0 416.496 0.187 20 0 HCADRO COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000428766860 1074639020 /nfs/dbraw/zinc/63/90/20/1074639020.db2.gz OZCGSENJDKLJMH-GOSISDBHSA-N 1 0 415.512 0.742 20 0 HCADRO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000428766861 1074639060 /nfs/dbraw/zinc/63/90/60/1074639060.db2.gz OZCGSENJDKLJMH-SFHVURJKSA-N 1 0 415.512 0.742 20 0 HCADRO NC(=O)C1([NH2+]CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCCC1 ZINC000428767073 1074638907 /nfs/dbraw/zinc/63/89/07/1074638907.db2.gz VUVOUTALLWIYEW-UHFFFAOYSA-N 1 0 411.524 0.864 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](C)S(=O)(=O)CC3)cn2)CC1 ZINC000428768682 1074666693 /nfs/dbraw/zinc/66/66/93/1074666693.db2.gz BCKQNVVJKQVRJZ-INIZCTEOSA-N 1 0 409.556 0.942 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](C)S(=O)(=O)CC3)cn2)CC1 ZINC000428768686 1074667338 /nfs/dbraw/zinc/66/73/38/1074667338.db2.gz BCKQNVVJKQVRJZ-MRXNPFEDSA-N 1 0 409.556 0.942 20 0 HCADRO C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428772181 1074704976 /nfs/dbraw/zinc/70/49/76/1074704976.db2.gz KXDAJTGGSFDCCH-GOSISDBHSA-N 1 0 412.531 0.830 20 0 HCADRO C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428772182 1074704835 /nfs/dbraw/zinc/70/48/35/1074704835.db2.gz KXDAJTGGSFDCCH-SFHVURJKSA-N 1 0 412.531 0.830 20 0 HCADRO CC[C@](C)([NH2+]CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)C(N)=O ZINC000428775770 1074742795 /nfs/dbraw/zinc/74/27/95/1074742795.db2.gz BXHKILLWYAAQGT-IBGZPJMESA-N 1 0 410.519 0.420 20 0 HCADRO CC[C@@](C)([NH2+]CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)C(N)=O ZINC000428775771 1074743100 /nfs/dbraw/zinc/74/31/00/1074743100.db2.gz BXHKILLWYAAQGT-LJQANCHMSA-N 1 0 410.519 0.420 20 0 HCADRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000428776973 1074748594 /nfs/dbraw/zinc/74/85/94/1074748594.db2.gz CYAIHJMNRCVRSV-JOCHJYFZSA-N 1 0 409.490 0.942 20 0 HCADRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000428776974 1074748712 /nfs/dbraw/zinc/74/87/12/1074748712.db2.gz CYAIHJMNRCVRSV-QFIPXVFZSA-N 1 0 409.490 0.942 20 0 HCADRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000428779424 1074780874 /nfs/dbraw/zinc/78/08/74/1074780874.db2.gz FNQBVQRCORQOGJ-NRFANRHFSA-N 1 0 411.462 0.250 20 0 HCADRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000428779425 1074780979 /nfs/dbraw/zinc/78/09/79/1074780979.db2.gz FNQBVQRCORQOGJ-OAQYLSRUSA-N 1 0 411.462 0.250 20 0 HCADRO CCn1c(N)c(C(=O)CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)c(=O)[nH]c1=O ZINC000428779865 1074765674 /nfs/dbraw/zinc/76/56/74/1074765674.db2.gz GNRHWMVTJOCOSO-FQEVSTJZSA-N 1 0 400.435 0.550 20 0 HCADRO CCn1c(N)c(C(=O)CN2CC[C@](C(=O)OC)(c3ccccc3)C2)c(=O)[nH]c1=O ZINC000428779869 1074765812 /nfs/dbraw/zinc/76/58/12/1074765812.db2.gz GNRHWMVTJOCOSO-HXUWFJFHSA-N 1 0 400.435 0.550 20 0 HCADRO CC[C@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C(N)=O ZINC000428780126 1074764985 /nfs/dbraw/zinc/76/49/85/1074764985.db2.gz BFXKHDTUYSRXMV-HNNXBMFYSA-N 1 0 422.960 0.478 20 0 HCADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C(N)=O ZINC000428780128 1074765066 /nfs/dbraw/zinc/76/50/66/1074765066.db2.gz BFXKHDTUYSRXMV-OAHLLOKOSA-N 1 0 422.960 0.478 20 0 HCADRO CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000428781858 1074814742 /nfs/dbraw/zinc/81/47/42/1074814742.db2.gz SAJRPVMTBLMPLH-CVEARBPZSA-N 1 0 400.497 0.569 20 0 HCADRO CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000428781860 1074814753 /nfs/dbraw/zinc/81/47/53/1074814753.db2.gz SAJRPVMTBLMPLH-HOTGVXAUSA-N 1 0 400.497 0.569 20 0 HCADRO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000428781862 1074815322 /nfs/dbraw/zinc/81/53/22/1074815322.db2.gz SAJRPVMTBLMPLH-HZPDHXFCSA-N 1 0 400.497 0.569 20 0 HCADRO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000428781864 1074815425 /nfs/dbraw/zinc/81/54/25/1074815425.db2.gz SAJRPVMTBLMPLH-JKSUJKDBSA-N 1 0 400.497 0.569 20 0 HCADRO CCS(=O)(=O)NCCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428782715 1074820279 /nfs/dbraw/zinc/82/02/79/1074820279.db2.gz ILRFOBPAAKEKAL-GOSISDBHSA-N 1 0 412.556 0.906 20 0 HCADRO CCS(=O)(=O)NCCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428782717 1074820360 /nfs/dbraw/zinc/82/03/60/1074820360.db2.gz ILRFOBPAAKEKAL-SFHVURJKSA-N 1 0 412.556 0.906 20 0 HCADRO Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)[C@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000428784181 1075092370 /nfs/dbraw/zinc/09/23/70/1075092370.db2.gz OGNSZBJINMQURF-FQEVSTJZSA-N 1 0 422.595 0.995 20 0 HCADRO Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)[C@@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000428784182 1075092481 /nfs/dbraw/zinc/09/24/81/1075092481.db2.gz OGNSZBJINMQURF-HXUWFJFHSA-N 1 0 422.595 0.995 20 0 HCADRO CC[C@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(N)=O ZINC000428785912 1075326264 /nfs/dbraw/zinc/32/62/64/1075326264.db2.gz NDVFPEDBSKUOSN-KRWDZBQOSA-N 1 0 416.931 0.417 20 0 HCADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(N)=O ZINC000428785915 1075326213 /nfs/dbraw/zinc/32/62/13/1075326213.db2.gz NDVFPEDBSKUOSN-QGZVFWFLSA-N 1 0 416.931 0.417 20 0 HCADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428785925 1075321184 /nfs/dbraw/zinc/32/11/84/1075321184.db2.gz MOHHXHGPBGIEQM-FQEVSTJZSA-N 1 0 422.595 0.995 20 0 HCADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428785926 1075321144 /nfs/dbraw/zinc/32/11/44/1075321144.db2.gz MOHHXHGPBGIEQM-HXUWFJFHSA-N 1 0 422.595 0.995 20 0 HCADRO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428787154 1075341220 /nfs/dbraw/zinc/34/12/20/1075341220.db2.gz OCUSMDYMMDLEIO-IBGZPJMESA-N 1 0 408.568 0.864 20 0 HCADRO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428787156 1075341046 /nfs/dbraw/zinc/34/10/46/1075341046.db2.gz OCUSMDYMMDLEIO-LJQANCHMSA-N 1 0 408.568 0.864 20 0 HCADRO CC[C@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(N)=O ZINC000428787200 1075341097 /nfs/dbraw/zinc/34/10/97/1075341097.db2.gz OKGUJYLHDXPLBP-FQEVSTJZSA-N 1 0 422.551 0.252 20 0 HCADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(N)=O ZINC000428787201 1075341215 /nfs/dbraw/zinc/34/12/15/1075341215.db2.gz OKGUJYLHDXPLBP-HXUWFJFHSA-N 1 0 422.551 0.252 20 0 HCADRO C[C@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000428790723 1075397055 /nfs/dbraw/zinc/39/70/55/1075397055.db2.gz CDFLECNUWAGZAU-BPNCWPANSA-N 1 0 405.314 0.764 20 0 HCADRO C[C@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000428790724 1075397064 /nfs/dbraw/zinc/39/70/64/1075397064.db2.gz CDFLECNUWAGZAU-GDLCADMTSA-N 1 0 405.314 0.764 20 0 HCADRO C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000428790725 1075396987 /nfs/dbraw/zinc/39/69/87/1075396987.db2.gz CDFLECNUWAGZAU-LEWSCRJBSA-N 1 0 405.314 0.764 20 0 HCADRO C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000428790726 1075396964 /nfs/dbraw/zinc/39/69/64/1075396964.db2.gz CDFLECNUWAGZAU-ZLKJLUDKSA-N 1 0 405.314 0.764 20 0 HCADRO NC(=O)C1([NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCCC1 ZINC000428790853 1075396634 /nfs/dbraw/zinc/39/66/34/1075396634.db2.gz CETMFBIKBIQXTI-UHFFFAOYSA-N 1 0 424.523 0.424 20 0 HCADRO CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428790965 1075395737 /nfs/dbraw/zinc/39/57/37/1075395737.db2.gz YXFCARJDIFFYPD-CYBMUJFWSA-N 1 0 412.468 0.072 20 0 HCADRO CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428790966 1075395793 /nfs/dbraw/zinc/39/57/93/1075395793.db2.gz YXFCARJDIFFYPD-ZDUSSCGKSA-N 1 0 412.468 0.072 20 0 HCADRO CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428794834 1075425914 /nfs/dbraw/zinc/42/59/14/1075425914.db2.gz UIYHTKWRJGBQGH-KRWDZBQOSA-N 1 0 416.588 0.103 20 0 HCADRO CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428794835 1075426013 /nfs/dbraw/zinc/42/60/13/1075426013.db2.gz UIYHTKWRJGBQGH-QGZVFWFLSA-N 1 0 416.588 0.103 20 0 HCADRO CC[C@](C)([NH2+]CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C(N)=O ZINC000428796236 1075438920 /nfs/dbraw/zinc/43/89/20/1075438920.db2.gz VULUGLHFCOOGSQ-NRFANRHFSA-N 1 0 403.527 0.630 20 0 HCADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C(N)=O ZINC000428796237 1075438968 /nfs/dbraw/zinc/43/89/68/1075438968.db2.gz VULUGLHFCOOGSQ-OAQYLSRUSA-N 1 0 403.527 0.630 20 0 HCADRO CCN(C(=O)C[NH2+][C@@](C)(CC)C(N)=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000428796609 1075486592 /nfs/dbraw/zinc/48/65/92/1075486592.db2.gz ZLGQBZUUPGXBRX-FQEVSTJZSA-N 1 0 416.482 0.176 20 0 HCADRO CCN(C(=O)C[NH2+][C@](C)(CC)C(N)=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000428796610 1075486580 /nfs/dbraw/zinc/48/65/80/1075486580.db2.gz ZLGQBZUUPGXBRX-HXUWFJFHSA-N 1 0 416.482 0.176 20 0 HCADRO CCCCn1c(N)c(N(CC)C(=O)C[NH2+]C2(C(N)=O)CCCCC2)c(=O)[nH]c1=O ZINC000428797221 1075455092 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CCS(=O)(=O)NCCNC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000428817771 1077548972 /nfs/dbraw/zinc/54/89/72/1077548972.db2.gz NWUBRZDZVWOYSY-HZPDHXFCSA-N 1 0 404.577 0.847 20 0 HCADRO CCS(=O)(=O)NCCNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000428817772 1077564935 /nfs/dbraw/zinc/56/49/35/1077564935.db2.gz NWUBRZDZVWOYSY-IYBDPMFKSA-N 1 0 404.577 0.847 20 0 HCADRO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1=O ZINC000428818969 1077770102 /nfs/dbraw/zinc/77/01/02/1077770102.db2.gz OKKFEDLBYYKUDL-FHLIZLRMSA-N 1 0 401.511 0.787 20 0 HCADRO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1=O ZINC000428818970 1077770136 /nfs/dbraw/zinc/77/01/36/1077770136.db2.gz OKKFEDLBYYKUDL-JLSDUUJJSA-N 1 0 401.511 0.787 20 0 HCADRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1=O ZINC000428818971 1077770009 /nfs/dbraw/zinc/77/00/09/1077770009.db2.gz OKKFEDLBYYKUDL-OLMNPRSZSA-N 1 0 401.511 0.787 20 0 HCADRO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1=O ZINC000428818972 1077770049 /nfs/dbraw/zinc/77/00/49/1077770049.db2.gz OKKFEDLBYYKUDL-ZTFGCOKTSA-N 1 0 401.511 0.787 20 0 HCADRO C[C@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCS1(=O)=O ZINC000428819562 1077847686 /nfs/dbraw/zinc/84/76/86/1077847686.db2.gz QEURTYVUHDAWHK-HNNXBMFYSA-N 1 0 416.588 0.832 20 0 HCADRO C[C@@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCS1(=O)=O ZINC000428819563 1077847644 /nfs/dbraw/zinc/84/76/44/1077847644.db2.gz QEURTYVUHDAWHK-OAHLLOKOSA-N 1 0 416.588 0.832 20 0 HCADRO CC(C)NS(=O)(=O)NCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000428836713 1080343235 /nfs/dbraw/zinc/34/32/35/1080343235.db2.gz VHAULBLROVOERO-UHFFFAOYSA-N 1 0 419.592 0.401 20 0 HCADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@H](C)CO ZINC000428838018 1080347979 /nfs/dbraw/zinc/34/79/79/1080347979.db2.gz GITIALHLRROPIV-OAHLLOKOSA-N 1 0 411.524 0.425 20 0 HCADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@H](C)CO 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408.484 0.740 20 0 HCADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462274129 1075320754 /nfs/dbraw/zinc/32/07/54/1075320754.db2.gz YALOBMGFJJDISO-UHFFFAOYSA-N 1 0 417.438 0.910 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000462274197 1075320723 /nfs/dbraw/zinc/32/07/23/1075320723.db2.gz DFSULJOFCGPIFJ-CABCVRRESA-N 1 0 423.495 0.041 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000462274208 1075319987 /nfs/dbraw/zinc/31/99/87/1075319987.db2.gz DFSULJOFCGPIFJ-GJZGRUSLSA-N 1 0 423.495 0.041 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000462274211 1075320297 /nfs/dbraw/zinc/32/02/97/1075320297.db2.gz DFSULJOFCGPIFJ-HUUCEWRRSA-N 1 0 423.495 0.041 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000462274213 1075320424 /nfs/dbraw/zinc/32/04/24/1075320424.db2.gz DFSULJOFCGPIFJ-LSDHHAIUSA-N 1 0 423.495 0.041 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 ZINC000462274685 1075320043 /nfs/dbraw/zinc/32/00/43/1075320043.db2.gz DRURNRNONZYSRA-KBPBESRZSA-N 1 0 414.532 0.058 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 ZINC000462274686 1075320030 /nfs/dbraw/zinc/32/00/30/1075320030.db2.gz DRURNRNONZYSRA-OKILXGFUSA-N 1 0 414.532 0.058 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 ZINC000462274687 1075319974 /nfs/dbraw/zinc/31/99/74/1075319974.db2.gz DRURNRNONZYSRA-ZIAGYGMSSA-N 1 0 414.532 0.058 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000462275077 1075321109 /nfs/dbraw/zinc/32/11/09/1075321109.db2.gz FRVGZOITRBGFIA-HNNXBMFYSA-N 1 0 407.496 0.722 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000462275087 1075321535 /nfs/dbraw/zinc/32/15/35/1075321535.db2.gz FRVGZOITRBGFIA-OAHLLOKOSA-N 1 0 407.496 0.722 20 0 HCADRO CC(C)(CNC(=O)Nc1nc(CS(C)(=O)=O)no1)[N@@H+]1CCc2ccccc2C1 ZINC000462276645 1075323405 /nfs/dbraw/zinc/32/34/05/1075323405.db2.gz XHBHDGZIKNSZAG-UHFFFAOYSA-N 1 0 407.496 0.995 20 0 HCADRO CC(=O)N(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000462276747 1075324118 /nfs/dbraw/zinc/32/41/18/1075324118.db2.gz YKOUSHKXVDPJOQ-UHFFFAOYSA-N 1 0 408.524 0.598 20 0 HCADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462278885 1075325168 /nfs/dbraw/zinc/32/51/68/1075325168.db2.gz NJOTUJFQOQERBZ-UHFFFAOYSA-N 1 0 408.484 0.811 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)CO1 ZINC000462280989 1075326655 /nfs/dbraw/zinc/32/66/55/1075326655.db2.gz UJRIWTYWKXCLGZ-DLBZAZTESA-N 1 0 412.560 0.322 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)CO1 ZINC000462280990 1075326648 /nfs/dbraw/zinc/32/66/48/1075326648.db2.gz UJRIWTYWKXCLGZ-IAGOWNOFSA-N 1 0 412.560 0.322 20 0 HCADRO C[C@H]1CN(S(=O)(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)CO1 ZINC000462280991 1075326602 /nfs/dbraw/zinc/32/66/02/1075326602.db2.gz UJRIWTYWKXCLGZ-IRXDYDNUSA-N 1 0 412.560 0.322 20 0 HCADRO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000462280992 1075326545 /nfs/dbraw/zinc/32/65/45/1075326545.db2.gz UJRIWTYWKXCLGZ-SJORKVTESA-N 1 0 412.560 0.322 20 0 HCADRO COc1ccc(CCN2C(=O)C[C@H]([N@@H+]3CCC[C@]4(CNC(=O)C4)C3)C2=O)cc1OC ZINC000462281825 1075327846 /nfs/dbraw/zinc/32/78/46/1075327846.db2.gz XOEGZNSFNHNHBI-AOMKIAJQSA-N 1 0 415.490 0.976 20 0 HCADRO COc1ccc(CCN2C(=O)C[C@H]([N@@H+]3CCC[C@@]4(CNC(=O)C4)C3)C2=O)cc1OC ZINC000462281829 1075327924 /nfs/dbraw/zinc/32/79/24/1075327924.db2.gz XOEGZNSFNHNHBI-KSFYIVLOSA-N 1 0 415.490 0.976 20 0 HCADRO COc1ccc(CCN2C(=O)C[C@@H]([N@@H+]3CCC[C@@]4(CNC(=O)C4)C3)C2=O)cc1OC ZINC000462281830 1075327906 /nfs/dbraw/zinc/32/79/06/1075327906.db2.gz XOEGZNSFNHNHBI-OPAMFIHVSA-N 1 0 415.490 0.976 20 0 HCADRO COc1ccc(CCN2C(=O)C[C@@H]([N@@H+]3CCC[C@]4(CNC(=O)C4)C3)C2=O)cc1OC ZINC000462281831 1075327797 /nfs/dbraw/zinc/32/77/97/1075327797.db2.gz XOEGZNSFNHNHBI-ZHRRBRCNSA-N 1 0 415.490 0.976 20 0 HCADRO CC[C@@H](CNC(=O)Nc1nc(CS(C)(=O)=O)no1)[N@@H+]1CCc2ccccc2C1 ZINC000462282494 1075327002 /nfs/dbraw/zinc/32/70/02/1075327002.db2.gz ZLHKROXWGUXSAF-HNNXBMFYSA-N 1 0 407.496 0.995 20 0 HCADRO CC[C@H](CNC(=O)Nc1nc(CS(C)(=O)=O)no1)[N@@H+]1CCc2ccccc2C1 ZINC000462282495 1075327052 /nfs/dbraw/zinc/32/70/52/1075327052.db2.gz ZLHKROXWGUXSAF-OAHLLOKOSA-N 1 0 407.496 0.995 20 0 HCADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cccc(-c4nnnn4C)c3)CC2)c1 ZINC000462283197 1075328696 /nfs/dbraw/zinc/32/86/96/1075328696.db2.gz ZGHKDXMELFYERH-UHFFFAOYSA-N 1 0 415.479 0.792 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000462283824 1075329796 /nfs/dbraw/zinc/32/97/96/1075329796.db2.gz NKTVVOZXLJLOLX-UHFFFAOYSA-N 1 0 407.496 0.865 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000462285077 1075330180 /nfs/dbraw/zinc/33/01/80/1075330180.db2.gz ZAYQZMMPFFZLIY-UHFFFAOYSA-N 1 0 422.511 0.370 20 0 HCADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3nc(CS(C)(=O)=O)no3)CC2)C[C@H](C)O1 ZINC000462285132 1075330167 /nfs/dbraw/zinc/33/01/67/1075330167.db2.gz ZSRULAKWOFSLSF-BETUJISGSA-N 1 0 415.516 0.389 20 0 HCADRO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3nc(CS(C)(=O)=O)no3)CC2)C[C@@H](C)O1 ZINC000462285133 1075330275 /nfs/dbraw/zinc/33/02/75/1075330275.db2.gz ZSRULAKWOFSLSF-CHWSQXEVSA-N 1 0 415.516 0.389 20 0 HCADRO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3nc(CS(C)(=O)=O)no3)CC2)C[C@H](C)O1 ZINC000462285134 1075330269 /nfs/dbraw/zinc/33/02/69/1075330269.db2.gz ZSRULAKWOFSLSF-STQMWFEESA-N 1 0 415.516 0.389 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000462285428 1075330246 /nfs/dbraw/zinc/33/02/46/1075330246.db2.gz AUDSIQIIYUEGKW-UHFFFAOYSA-N 1 0 421.527 0.052 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cnn(-c3ccccn3)c2C)CC1 ZINC000462285913 1075330614 /nfs/dbraw/zinc/33/06/14/1075330614.db2.gz CXOAGIKLDPVGBR-UHFFFAOYSA-N 1 0 420.539 0.750 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC000462286933 1075331363 /nfs/dbraw/zinc/33/13/63/1075331363.db2.gz BWGMKPUXLUDIDH-UHFFFAOYSA-N 1 0 415.516 0.440 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cccc(-c4nnnn4C)c3)C2)CC1 ZINC000462287283 1075330990 /nfs/dbraw/zinc/33/09/90/1075330990.db2.gz CHYNEMAOWLKFAA-INIZCTEOSA-N 1 0 405.528 0.278 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(-c4nnnn4C)c3)C2)CC1 ZINC000462287284 1075330982 /nfs/dbraw/zinc/33/09/82/1075330982.db2.gz CHYNEMAOWLKFAA-MRXNPFEDSA-N 1 0 405.528 0.278 20 0 HCADRO Cn1nnnc1-c1cccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000462287417 1075331026 /nfs/dbraw/zinc/33/10/26/1075331026.db2.gz JQSLTRPNGRFKOO-UHFFFAOYSA-N 1 0 406.512 0.800 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)n1 ZINC000462287465 1075330920 /nfs/dbraw/zinc/33/09/20/1075330920.db2.gz GWJHHYHIPNOHGJ-UHFFFAOYSA-N 1 0 417.557 0.909 20 0 HCADRO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H](N3CC[C@H]([NH+]4CCCCC4)C3)C2=O)c1 ZINC000462287481 1075330932 /nfs/dbraw/zinc/33/09/32/1075330932.db2.gz HDOSVILJVCTJJJ-DOTOQJQBSA-N 1 0 406.508 0.526 20 0 HCADRO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H](N3CC[C@@H]([NH+]4CCCCC4)C3)C2=O)c1 ZINC000462287482 1075330978 /nfs/dbraw/zinc/33/09/78/1075330978.db2.gz HDOSVILJVCTJJJ-NVXWUHKLSA-N 1 0 406.508 0.526 20 0 HCADRO NS(=O)(=O)c1cccc(N2C(=O)C[C@H](N3CC[C@H]([NH+]4CCCCC4)C3)C2=O)c1 ZINC000462287483 1075331044 /nfs/dbraw/zinc/33/10/44/1075331044.db2.gz HDOSVILJVCTJJJ-RDJZCZTQSA-N 1 0 406.508 0.526 20 0 HCADRO NS(=O)(=O)c1cccc(N2C(=O)C[C@H](N3CC[C@@H]([NH+]4CCCCC4)C3)C2=O)c1 ZINC000462287484 1075331038 /nfs/dbraw/zinc/33/10/38/1075331038.db2.gz HDOSVILJVCTJJJ-WBVHZDCISA-N 1 0 406.508 0.526 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cnn(-c4ccccn4)c3C)C2)CC1 ZINC000462288218 1075331753 /nfs/dbraw/zinc/33/17/53/1075331753.db2.gz GNCLPCARVSQDNS-KRWDZBQOSA-N 1 0 404.540 0.976 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cnn(-c4ccccn4)c3C)C2)CC1 ZINC000462288219 1075331620 /nfs/dbraw/zinc/33/16/20/1075331620.db2.gz GNCLPCARVSQDNS-QGZVFWFLSA-N 1 0 404.540 0.976 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2nc(CS(C)(=O)=O)no2)cc1 ZINC000462288516 1075331325 /nfs/dbraw/zinc/33/13/25/1075331325.db2.gz NDLGFVQZYZRHMZ-UHFFFAOYSA-N 1 0 411.484 0.341 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)CC1 ZINC000462288598 1075331337 /nfs/dbraw/zinc/33/13/37/1075331337.db2.gz NUVISKPIWGQPCZ-UHFFFAOYSA-N 1 0 410.540 0.844 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000462289092 1075332201 /nfs/dbraw/zinc/33/22/01/1075332201.db2.gz XHPAEBLMJQURFM-UHFFFAOYSA-N 1 0 403.530 0.519 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2csc(C(=O)OC)c2)CC1 ZINC000462289179 1075332064 /nfs/dbraw/zinc/33/20/64/1075332064.db2.gz XVOFLBINKYRQLT-UHFFFAOYSA-N 1 0 403.526 0.709 20 0 HCADRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2nc(CS(C)(=O)=O)no2)cc1 ZINC000462289886 1075332595 /nfs/dbraw/zinc/33/25/95/1075332595.db2.gz QOKWWNJHMFHXJT-UHFFFAOYSA-N 1 0 411.484 0.688 20 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ZINC000462295554 1075334524 /nfs/dbraw/zinc/33/45/24/1075334524.db2.gz YICZXDNJVMTPDS-OLZOCXBDSA-N 1 0 403.505 0.295 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2nc(CS(C)(=O)=O)no2)[C@@H](C)C1 ZINC000462295559 1075334566 /nfs/dbraw/zinc/33/45/66/1075334566.db2.gz YICZXDNJVMTPDS-QWHCGFSZSA-N 1 0 403.505 0.295 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2nc(CS(C)(=O)=O)no2)[C@@H](C)C1 ZINC000462295562 1075334582 /nfs/dbraw/zinc/33/45/82/1075334582.db2.gz YICZXDNJVMTPDS-STQMWFEESA-N 1 0 403.505 0.295 20 0 HCADRO COC(=O)Cn1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000462296920 1075336336 /nfs/dbraw/zinc/33/63/36/1075336336.db2.gz XARSTYVMWPWXIA-KRWDZBQOSA-N 1 0 406.508 0.899 20 0 HCADRO COC(=O)Cn1cc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000462296921 1075336373 /nfs/dbraw/zinc/33/63/73/1075336373.db2.gz XARSTYVMWPWXIA-QGZVFWFLSA-N 1 0 406.508 0.899 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cs1 ZINC000462298902 1075337077 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/nfs/dbraw/zinc/34/81/18/1075348118.db2.gz UFSDLXBSJIXBHX-UHFFFAOYSA-N 1 0 423.560 0.972 20 0 HCADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)Cc2ccccc2C1 ZINC000462322962 1075353193 /nfs/dbraw/zinc/35/31/93/1075353193.db2.gz AZBCZXKGVCFKKJ-UHFFFAOYSA-N 1 0 414.487 0.594 20 0 HCADRO CCOC(=O)Cc1csc(NC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000462324248 1075353674 /nfs/dbraw/zinc/35/36/74/1075353674.db2.gz FKUVEQNIHMCCPQ-HNNXBMFYSA-N 1 0 423.539 0.426 20 0 HCADRO CCOC(=O)Cc1csc(NC(=O)CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000462324249 1075353556 /nfs/dbraw/zinc/35/35/56/1075353556.db2.gz FKUVEQNIHMCCPQ-OAHLLOKOSA-N 1 0 423.539 0.426 20 0 HCADRO COC(=O)Cc1csc(NC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000462325181 1075354015 /nfs/dbraw/zinc/35/40/15/1075354015.db2.gz HGKUBWCFSMJMLF-AWEZNQCLSA-N 1 0 409.512 0.036 20 0 HCADRO COC(=O)Cc1csc(NC(=O)CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000462325182 1075353973 /nfs/dbraw/zinc/35/39/73/1075353973.db2.gz HGKUBWCFSMJMLF-CQSZACIVSA-N 1 0 409.512 0.036 20 0 HCADRO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)n1 ZINC000462325480 1075353540 /nfs/dbraw/zinc/35/35/40/1075353540.db2.gz IFAJCJREQYRCQK-UHFFFAOYSA-N 1 0 418.541 0.543 20 0 HCADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)Cc2ccccc2C1 ZINC000462326371 1075353991 /nfs/dbraw/zinc/35/39/91/1075353991.db2.gz KQAQBOSPTDUTNT-UHFFFAOYSA-N 1 0 409.533 0.712 20 0 HCADRO COC(=O)Cc1csc(NC(=O)C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)n1 ZINC000462327317 1075349013 /nfs/dbraw/zinc/34/90/13/1075349013.db2.gz ODJFOKNZBOWZEA-UHFFFAOYSA-N 1 0 404.514 0.153 20 0 HCADRO Cn1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(=O)n(C)c1=O ZINC000462329428 1075350446 /nfs/dbraw/zinc/35/04/46/1075350446.db2.gz ZBAZHIQNOZKCKC-DOMZBBRYSA-N 1 0 412.537 0.507 20 0 HCADRO Cn1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(=O)n(C)c1=O ZINC000462329429 1075350159 /nfs/dbraw/zinc/35/01/59/1075350159.db2.gz ZBAZHIQNOZKCKC-IUODEOHRSA-N 1 0 412.537 0.507 20 0 HCADRO Cn1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(=O)n(C)c1=O ZINC000462329430 1075350190 /nfs/dbraw/zinc/35/01/90/1075350190.db2.gz ZBAZHIQNOZKCKC-SWLSCSKDSA-N 1 0 412.537 0.507 20 0 HCADRO Cn1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(=O)n(C)c1=O ZINC000462329431 1075350410 /nfs/dbraw/zinc/35/04/10/1075350410.db2.gz ZBAZHIQNOZKCKC-WFASDCNBSA-N 1 0 412.537 0.507 20 0 HCADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000462329479 1075350370 /nfs/dbraw/zinc/35/03/70/1075350370.db2.gz ZPKPXRYUNJXJGD-UHFFFAOYSA-N 1 0 423.560 0.972 20 0 HCADRO COC(=O)Cc1csc(NC(=O)CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000462334019 1075352886 /nfs/dbraw/zinc/35/28/86/1075352886.db2.gz ITSQQVGPHLXWLT-AWEZNQCLSA-N 1 0 409.556 0.897 20 0 HCADRO COC(=O)Cc1csc(NC(=O)CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000462334020 1075352928 /nfs/dbraw/zinc/35/29/28/1075352928.db2.gz ITSQQVGPHLXWLT-CQSZACIVSA-N 1 0 409.556 0.897 20 0 HCADRO COC(=O)Cc1csc(NC(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1 ZINC000462337612 1075359829 /nfs/dbraw/zinc/35/98/29/1075359829.db2.gz TVXSNEHMEKWCJN-GDBMZVCRSA-N 1 0 409.556 0.755 20 0 HCADRO COC(=O)Cc1csc(NC(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000462337615 1075359820 /nfs/dbraw/zinc/35/98/20/1075359820.db2.gz TVXSNEHMEKWCJN-GOEBONIOSA-N 1 0 409.556 0.755 20 0 HCADRO COC(=O)Cc1csc(NC(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000462337617 1075359737 /nfs/dbraw/zinc/35/97/37/1075359737.db2.gz TVXSNEHMEKWCJN-HOCLYGCPSA-N 1 0 409.556 0.755 20 0 HCADRO COC(=O)Cc1csc(NC(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1 ZINC000462337619 1075359775 /nfs/dbraw/zinc/35/97/75/1075359775.db2.gz TVXSNEHMEKWCJN-ZBFHGGJFSA-N 1 0 409.556 0.755 20 0 HCADRO O=C(CN1C[C@H](O)C[C@H]1CO)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000462346608 1075357687 /nfs/dbraw/zinc/35/76/87/1075357687.db2.gz MANCLRSHMKKXEH-QWHCGFSZSA-N 1 0 418.357 0.582 20 0 HCADRO 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COC(=O)c1sc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2CO)c(C(=O)OC)c1C ZINC000462359104 1075368214 /nfs/dbraw/zinc/36/82/14/1075368214.db2.gz ZGQRRAPFBVSZEY-WDEREUQCSA-N 1 0 400.453 0.386 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[C@]1(C)NC(=O)NC1=O ZINC000462359635 1075367207 /nfs/dbraw/zinc/36/72/07/1075367207.db2.gz OOBNUVUZPZZOQC-HGQUKEQDSA-N 1 0 424.523 0.711 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000462359636 1075367259 /nfs/dbraw/zinc/36/72/59/1075367259.db2.gz OOBNUVUZPZZOQC-IOHHAYIISA-N 1 0 424.523 0.711 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000462359638 1075367235 /nfs/dbraw/zinc/36/72/35/1075367235.db2.gz OOBNUVUZPZZOQC-KPAZRMRSSA-N 1 0 424.523 0.711 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[C@]1(C)NC(=O)NC1=O ZINC000462359639 1075367318 /nfs/dbraw/zinc/36/73/18/1075367318.db2.gz OOBNUVUZPZZOQC-PEELUZDISA-N 1 0 424.523 0.711 20 0 HCADRO C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)CC1(C)C ZINC000462423927 1075391071 /nfs/dbraw/zinc/39/10/71/1075391071.db2.gz ZGQSCWJHKYOUJI-SFHVURJKSA-N 1 0 408.568 0.982 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)[C@@H](C)CO1 ZINC000462425005 1075391863 /nfs/dbraw/zinc/39/18/63/1075391863.db2.gz GHKHNOWXAWFEAU-DLBZAZTESA-N 1 0 416.588 0.655 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)[C@H](C)CO1 ZINC000462425006 1075391826 /nfs/dbraw/zinc/39/18/26/1075391826.db2.gz GHKHNOWXAWFEAU-IAGOWNOFSA-N 1 0 416.588 0.655 20 0 HCADRO C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)[C@@H](C)CO1 ZINC000462425007 1075391707 /nfs/dbraw/zinc/39/17/07/1075391707.db2.gz GHKHNOWXAWFEAU-IRXDYDNUSA-N 1 0 416.588 0.655 20 0 HCADRO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000462425008 1075391833 /nfs/dbraw/zinc/39/18/33/1075391833.db2.gz GHKHNOWXAWFEAU-SJORKVTESA-N 1 0 416.588 0.655 20 0 HCADRO CCCNC(=O)CN1CCC(NS(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000462430387 1075388175 /nfs/dbraw/zinc/38/81/75/1075388175.db2.gz TWPHSDDGOKLKND-UHFFFAOYSA-N 1 0 421.527 0.146 20 0 HCADRO CCCNC(=O)CN1CCC(NS(=O)(=O)c2csc(C(=O)OC)c2)CC1 ZINC000462431448 1075388076 /nfs/dbraw/zinc/38/80/76/1075388076.db2.gz XBBVOFOXLGYQKU-UHFFFAOYSA-N 1 0 403.526 0.804 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c[nH]1 ZINC000462431828 1075388112 /nfs/dbraw/zinc/38/81/12/1075388112.db2.gz ZIJPRUOOBWKVQH-UHFFFAOYSA-N 1 0 420.491 0.667 20 0 HCADRO COC(=O)Cn1cc(S(=O)(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cn1 ZINC000462432038 1075388536 /nfs/dbraw/zinc/38/85/36/1075388536.db2.gz YFCGDNKAHUEXAJ-UHFFFAOYSA-N 1 0 421.523 0.282 20 0 HCADRO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000462434920 1075398191 /nfs/dbraw/zinc/39/81/91/1075398191.db2.gz CXZTUAKNVPVXNO-BLVKFPJESA-N 1 0 422.507 0.512 20 0 HCADRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000462434921 1075397997 /nfs/dbraw/zinc/39/79/97/1075397997.db2.gz CXZTUAKNVPVXNO-BUXKBTBVSA-N 1 0 422.507 0.512 20 0 HCADRO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000462434922 1075398062 /nfs/dbraw/zinc/39/80/62/1075398062.db2.gz CXZTUAKNVPVXNO-CWTRNNRKSA-N 1 0 422.507 0.512 20 0 HCADRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000462434923 1075398238 /nfs/dbraw/zinc/39/82/38/1075398238.db2.gz CXZTUAKNVPVXNO-HXPMCKFVSA-N 1 0 422.507 0.512 20 0 HCADRO CN(CCS(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000462436649 1075393037 /nfs/dbraw/zinc/39/30/37/1075393037.db2.gz LDMULKVIIVNVCK-AWEZNQCLSA-N 1 0 419.544 0.850 20 0 HCADRO CN(CCS(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000462436650 1075392987 /nfs/dbraw/zinc/39/29/87/1075392987.db2.gz LDMULKVIIVNVCK-CQSZACIVSA-N 1 0 419.544 0.850 20 0 HCADRO C[NH+](C)CCOc1cnccc1CNC(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC000462443806 1075395071 /nfs/dbraw/zinc/39/50/71/1075395071.db2.gz GSVCLKLBJPZHTD-UHFFFAOYSA-N 1 0 411.506 0.987 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3cccc(F)c3)C(=O)C2)C1 ZINC000462470200 1075411629 /nfs/dbraw/zinc/41/16/29/1075411629.db2.gz DCPCPJYDHOAVCR-IBGZPJMESA-N 1 0 406.502 0.947 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(c3cccc(F)c3)C(=O)C2)C1 ZINC000462470201 1075411750 /nfs/dbraw/zinc/41/17/50/1075411750.db2.gz DCPCPJYDHOAVCR-LJQANCHMSA-N 1 0 406.502 0.947 20 0 HCADRO Cn1c2cc(Br)c(S(=O)(=O)NCCn3ccnc3)cc2n(C)c1=O ZINC000462481146 1075413835 /nfs/dbraw/zinc/41/38/35/1075413835.db2.gz QWWXENHFYVBTBT-UHFFFAOYSA-N 1 0 414.285 0.815 20 0 HCADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000462482578 1075414375 /nfs/dbraw/zinc/41/43/75/1075414375.db2.gz ASSUCPSRGPGGFC-HNNXBMFYSA-N 1 0 407.544 0.429 20 0 HCADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000462482579 1075414443 /nfs/dbraw/zinc/41/44/43/1075414443.db2.gz ASSUCPSRGPGGFC-OAHLLOKOSA-N 1 0 407.544 0.429 20 0 HCADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000462483126 1075415570 /nfs/dbraw/zinc/41/55/70/1075415570.db2.gz CFPJBUSRVANBDA-KRWDZBQOSA-N 1 0 418.585 0.145 20 0 HCADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000462483127 1075415383 /nfs/dbraw/zinc/41/53/83/1075415383.db2.gz CFPJBUSRVANBDA-QGZVFWFLSA-N 1 0 418.585 0.145 20 0 HCADRO CC(C)[C@H](CNS(=O)(=O)c1cccc(-c2nnnn2C)c1)N1CC[NH+](C)CC1 ZINC000462483728 1075414913 /nfs/dbraw/zinc/41/49/13/1075414913.db2.gz GMLSOTMAICKWFG-KRWDZBQOSA-N 1 0 407.544 0.427 20 0 HCADRO CC(C)[C@@H](CNS(=O)(=O)c1cccc(-c2nnnn2C)c1)N1CC[NH+](C)CC1 ZINC000462483729 1075414991 /nfs/dbraw/zinc/41/49/91/1075414991.db2.gz GMLSOTMAICKWFG-QGZVFWFLSA-N 1 0 407.544 0.427 20 0 HCADRO COc1ccc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1C(=O)N(C)C ZINC000462483769 1075414802 /nfs/dbraw/zinc/41/48/02/1075414802.db2.gz GZTYSFPFDCEGDF-HNNXBMFYSA-N 1 0 412.556 0.559 20 0 HCADRO COc1ccc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1C(=O)N(C)C ZINC000462483770 1075414852 /nfs/dbraw/zinc/41/48/52/1075414852.db2.gz GZTYSFPFDCEGDF-OAHLLOKOSA-N 1 0 412.556 0.559 20 0 HCADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000462487375 1075416075 /nfs/dbraw/zinc/41/60/75/1075416075.db2.gz FJHLLDQRKLPATE-CYBMUJFWSA-N 1 0 409.512 0.593 20 0 HCADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000462487376 1075416128 /nfs/dbraw/zinc/41/61/28/1075416128.db2.gz FJHLLDQRKLPATE-ZDUSSCGKSA-N 1 0 409.512 0.593 20 0 HCADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000462487710 1075416147 /nfs/dbraw/zinc/41/61/47/1075416147.db2.gz UQJRTYWEMPWWDG-HNNXBMFYSA-N 1 0 417.597 0.869 20 0 HCADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000462487714 1075416051 /nfs/dbraw/zinc/41/60/51/1075416051.db2.gz UQJRTYWEMPWWDG-OAHLLOKOSA-N 1 0 417.597 0.869 20 0 HCADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1 ZINC000462488167 1075417021 /nfs/dbraw/zinc/41/70/21/1075417021.db2.gz BDAFFCYUYVUYQW-INIZCTEOSA-N 1 0 413.540 0.790 20 0 HCADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1 ZINC000462488169 1075417131 /nfs/dbraw/zinc/41/71/31/1075417131.db2.gz BDAFFCYUYVUYQW-MRXNPFEDSA-N 1 0 413.540 0.790 20 0 HCADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000462488823 1075415947 /nfs/dbraw/zinc/41/59/47/1075415947.db2.gz JEIVXNNGNLGHRV-INIZCTEOSA-N 1 0 411.572 0.803 20 0 HCADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000462488824 1075415916 /nfs/dbraw/zinc/41/59/16/1075415916.db2.gz JEIVXNNGNLGHRV-MRXNPFEDSA-N 1 0 411.572 0.803 20 0 HCADRO CC(C)[C@@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC000462489858 1075417118 /nfs/dbraw/zinc/41/71/18/1075417118.db2.gz LNYQOGCPHZQUEK-GOSISDBHSA-N 1 0 417.597 0.782 20 0 HCADRO CC(C)[C@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC000462489903 1075417075 /nfs/dbraw/zinc/41/70/75/1075417075.db2.gz LNYQOGCPHZQUEK-SFHVURJKSA-N 1 0 417.597 0.782 20 0 HCADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000462490219 1075417669 /nfs/dbraw/zinc/41/76/69/1075417669.db2.gz AVAFMQXBHIIXKQ-HKUYNNGSSA-N 1 0 408.568 0.982 20 0 HCADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000462490220 1075417618 /nfs/dbraw/zinc/41/76/18/1075417618.db2.gz AVAFMQXBHIIXKQ-MJGOQNOKSA-N 1 0 408.568 0.982 20 0 HCADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000462490548 1075417606 /nfs/dbraw/zinc/41/76/06/1075417606.db2.gz OKZGZGUWFDRPQB-FMTVUPSXSA-N 1 0 410.496 0.511 20 0 HCADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000462490549 1075417696 /nfs/dbraw/zinc/41/76/96/1075417696.db2.gz OKZGZGUWFDRPQB-IUUKEHGRSA-N 1 0 410.496 0.511 20 0 HCADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000462490550 1075417707 /nfs/dbraw/zinc/41/77/07/1075417707.db2.gz OKZGZGUWFDRPQB-SEDUGSJDSA-N 1 0 410.496 0.511 20 0 HCADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000462490551 1075417561 /nfs/dbraw/zinc/41/75/61/1075417561.db2.gz OKZGZGUWFDRPQB-VNBZBWLYSA-N 1 0 410.496 0.511 20 0 HCADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000462491044 1075418158 /nfs/dbraw/zinc/41/81/58/1075418158.db2.gz QAILMSWLZQNPFV-HNNXBMFYSA-N 1 0 403.570 0.642 20 0 HCADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000462491045 1075418279 /nfs/dbraw/zinc/41/82/79/1075418279.db2.gz QAILMSWLZQNPFV-OAHLLOKOSA-N 1 0 403.570 0.642 20 0 HCADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000462491320 1075418077 /nfs/dbraw/zinc/41/80/77/1075418077.db2.gz NQJWCAXYJQZGDE-INIZCTEOSA-N 1 0 417.597 0.783 20 0 HCADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000462491321 1075418247 /nfs/dbraw/zinc/41/82/47/1075418247.db2.gz NQJWCAXYJQZGDE-MRXNPFEDSA-N 1 0 417.597 0.783 20 0 HCADRO C[C@@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)CN1CC[NH+](C)CC1 ZINC000462491547 1075418263 /nfs/dbraw/zinc/41/82/63/1075418263.db2.gz RLKYXYJAYLLKAS-HNNXBMFYSA-N 1 0 403.570 0.393 20 0 HCADRO C[C@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)CN1CC[NH+](C)CC1 ZINC000462491548 1075418112 /nfs/dbraw/zinc/41/81/12/1075418112.db2.gz RLKYXYJAYLLKAS-OAHLLOKOSA-N 1 0 403.570 0.393 20 0 HCADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000462491880 1075418212 /nfs/dbraw/zinc/41/82/12/1075418212.db2.gz SRYLOZXKBWPPTN-UHFFFAOYSA-N 1 0 405.542 0.374 20 0 HCADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000462492676 1075418288 /nfs/dbraw/zinc/41/82/88/1075418288.db2.gz WQPUINGGYWDYFE-UHFFFAOYSA-N 1 0 419.569 0.718 20 0 HCADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000462493963 1075418608 /nfs/dbraw/zinc/41/86/08/1075418608.db2.gz ZBRONKJSLBBCJC-AWEZNQCLSA-N 1 0 408.524 0.464 20 0 HCADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000462493964 1075418599 /nfs/dbraw/zinc/41/85/99/1075418599.db2.gz ZBRONKJSLBBCJC-CQSZACIVSA-N 1 0 408.524 0.464 20 0 HCADRO CC(C)[C@H](CNS(=O)(=O)c1ccccc1S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000462494319 1075418638 /nfs/dbraw/zinc/41/86/38/1075418638.db2.gz YIKAIABTSAGWBO-HNNXBMFYSA-N 1 0 403.570 0.640 20 0 HCADRO CC(C)[C@@H](CNS(=O)(=O)c1ccccc1S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000462494320 1075418751 /nfs/dbraw/zinc/41/87/51/1075418751.db2.gz YIKAIABTSAGWBO-OAHLLOKOSA-N 1 0 403.570 0.640 20 0 HCADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000462494357 1075418744 /nfs/dbraw/zinc/41/87/44/1075418744.db2.gz LISCSROCMAPHCL-UHFFFAOYSA-N 1 0 419.569 0.718 20 0 HCADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000462497112 1075419613 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CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000462668616 1075481082 /nfs/dbraw/zinc/48/10/82/1075481082.db2.gz NFCFUDNJCTWXRM-KRWDZBQOSA-N 1 0 407.536 0.893 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000462668617 1075481008 /nfs/dbraw/zinc/48/10/08/1075481008.db2.gz NFCFUDNJCTWXRM-QGZVFWFLSA-N 1 0 407.536 0.893 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2scnc2C(=O)OC)CC1 ZINC000462668665 1075481138 /nfs/dbraw/zinc/48/11/38/1075481138.db2.gz ZERYZEMDNKDYRH-UHFFFAOYSA-N 1 0 404.514 0.104 20 0 HCADRO COC(=O)c1ncsc1S(=O)(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000462668995 1075480428 /nfs/dbraw/zinc/48/04/28/1075480428.db2.gz PMPDIYMYHUAWSU-GFCCVEGCSA-N 1 0 402.542 0.719 20 0 HCADRO COC(=O)c1ncsc1S(=O)(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000462668996 1075481039 /nfs/dbraw/zinc/48/10/39/1075481039.db2.gz PMPDIYMYHUAWSU-LBPRGKRZSA-N 1 0 402.542 0.719 20 0 HCADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1 ZINC000462676725 1075483197 /nfs/dbraw/zinc/48/31/97/1075483197.db2.gz KZBFKRQGHOHDRP-BFUOFWGJSA-N 1 0 424.523 0.855 20 0 HCADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000462676729 1075482586 /nfs/dbraw/zinc/48/25/86/1075482586.db2.gz KZBFKRQGHOHDRP-DJJJIMSYSA-N 1 0 424.523 0.855 20 0 HCADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1 ZINC000462676731 1075482522 /nfs/dbraw/zinc/48/25/22/1075482522.db2.gz KZBFKRQGHOHDRP-ORAYPTAESA-N 1 0 424.523 0.855 20 0 HCADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000462676733 1075482624 /nfs/dbraw/zinc/48/26/24/1075482624.db2.gz KZBFKRQGHOHDRP-YJYMSZOUSA-N 1 0 424.523 0.855 20 0 HCADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cnc21 ZINC000462704777 1075497402 /nfs/dbraw/zinc/49/74/02/1075497402.db2.gz UFLFMKDFLDAEBW-CYBMUJFWSA-N 1 0 407.496 0.531 20 0 HCADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cnc21 ZINC000462704778 1075497703 /nfs/dbraw/zinc/49/77/03/1075497703.db2.gz UFLFMKDFLDAEBW-ZDUSSCGKSA-N 1 0 407.496 0.531 20 0 HCADRO C[NH+]1CCN(Cc2ccc(CNC(=O)Nc3nc(CS(C)(=O)=O)no3)cc2)CC1 ZINC000462720491 1075502266 /nfs/dbraw/zinc/50/22/66/1075502266.db2.gz IFUILHLVCBYIIX-UHFFFAOYSA-N 1 0 422.511 0.105 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000462720922 1075502282 /nfs/dbraw/zinc/50/22/82/1075502282.db2.gz KOSINGVNHHJETP-CABCVRRESA-N 1 0 423.495 0.041 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000462720924 1075502490 /nfs/dbraw/zinc/50/24/90/1075502490.db2.gz KOSINGVNHHJETP-GJZGRUSLSA-N 1 0 423.495 0.041 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000462720926 1075502247 /nfs/dbraw/zinc/50/22/47/1075502247.db2.gz KOSINGVNHHJETP-HUUCEWRRSA-N 1 0 423.495 0.041 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000462720927 1075502384 /nfs/dbraw/zinc/50/23/84/1075502384.db2.gz KOSINGVNHHJETP-LSDHHAIUSA-N 1 0 423.495 0.041 20 0 HCADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462723298 1075503262 /nfs/dbraw/zinc/50/32/62/1075503262.db2.gz ACJMTPHIVMZVLU-UHFFFAOYSA-N 1 0 417.438 0.910 20 0 HCADRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 ZINC000462726617 1075500946 /nfs/dbraw/zinc/50/09/46/1075500946.db2.gz SYAMWYRBFUMXLM-UHFFFAOYSA-N 1 0 417.532 0.638 20 0 HCADRO C[C@H]1C[NH+](CCC2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000462729655 1075503478 /nfs/dbraw/zinc/50/34/78/1075503478.db2.gz BRDDPECXQIIUSC-HOTGVXAUSA-N 1 0 404.577 0.799 20 0 HCADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000462729656 1075503533 /nfs/dbraw/zinc/50/35/33/1075503533.db2.gz BRDDPECXQIIUSC-HZPDHXFCSA-N 1 0 404.577 0.799 20 0 HCADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000462729657 1075503592 /nfs/dbraw/zinc/50/35/92/1075503592.db2.gz BRDDPECXQIIUSC-IYBDPMFKSA-N 1 0 404.577 0.799 20 0 HCADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)NCCS(=O)(=O)N(C)C)[C@@H]1c1cnn(C)c1 ZINC000462734094 1075504389 /nfs/dbraw/zinc/50/43/89/1075504389.db2.gz APTBUTLLFXVKCO-DOTOQJQBSA-N 1 0 414.576 0.726 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCCS(=O)(=O)N(C)C)CC1 ZINC000462736078 1075505146 /nfs/dbraw/zinc/50/51/46/1075505146.db2.gz MOHLTHBJZGUNSZ-UHFFFAOYSA-N 1 0 419.592 0.148 20 0 HCADRO CN(C)S(=O)(=O)CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000462737502 1075505449 /nfs/dbraw/zinc/50/54/49/1075505449.db2.gz PZHIQIXNRNJJFL-MSOLQXFVSA-N 1 0 417.620 0.856 20 0 HCADRO CN(C)S(=O)(=O)CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000462737503 1075505523 /nfs/dbraw/zinc/50/55/23/1075505523.db2.gz PZHIQIXNRNJJFL-QZTJIDSGSA-N 1 0 417.620 0.856 20 0 HCADRO CN(C)S(=O)(=O)CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000462737504 1075505574 /nfs/dbraw/zinc/50/55/74/1075505574.db2.gz PZHIQIXNRNJJFL-ROUUACIJSA-N 1 0 417.620 0.856 20 0 HCADRO CN(C)S(=O)(=O)CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000462737505 1075505368 /nfs/dbraw/zinc/50/53/68/1075505368.db2.gz PZHIQIXNRNJJFL-ZWKOTPCHSA-N 1 0 417.620 0.856 20 0 HCADRO CN(C)S(=O)(=O)CCNC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000462737543 1075505478 /nfs/dbraw/zinc/50/54/78/1075505478.db2.gz QHVZYKGICXZSFK-UHFFFAOYSA-N 1 0 417.620 0.716 20 0 HCADRO CN(C)S(=O)(=O)CCNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000462741816 1075508515 /nfs/dbraw/zinc/50/85/15/1075508515.db2.gz NQCBQLDKLLWICE-UHFFFAOYSA-N 1 0 419.592 0.003 20 0 HCADRO Cc1nn(C)c(=O)c(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)c1C ZINC000462742022 1075506163 /nfs/dbraw/zinc/50/61/63/1075506163.db2.gz BPOVTNVDJNLTNV-UHFFFAOYSA-N 1 0 407.496 0.489 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cccs2)c1 ZINC000462742104 1075506551 /nfs/dbraw/zinc/50/65/51/1075506551.db2.gz DECZEORAAKJGDH-UHFFFAOYSA-N 1 0 410.521 0.957 20 0 HCADRO Cc1nc(C)c(CC(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)c(=O)[nH]1 ZINC000462743074 1075508834 /nfs/dbraw/zinc/50/88/34/1075508834.db2.gz GVLOCIJXOMLNDY-UHFFFAOYSA-N 1 0 407.496 0.820 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2)c1 ZINC000462743657 1075508923 /nfs/dbraw/zinc/50/89/23/1075508923.db2.gz HWIWMJWHGHPPRK-UHFFFAOYSA-N 1 0 404.492 0.895 20 0 HCADRO CN(C)S(=O)(=O)CCNC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000462744056 1075508893 /nfs/dbraw/zinc/50/88/93/1075508893.db2.gz XSEMDXBJCRIETD-UHFFFAOYSA-N 1 0 411.572 0.337 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(CNC(N)=O)cc2)c1 ZINC000462744714 1075509339 /nfs/dbraw/zinc/50/93/39/1075509339.db2.gz MLEHPHGFNVSYMK-UHFFFAOYSA-N 1 0 419.507 0.947 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccnc(-n3cncn3)c2)c1 ZINC000462745736 1075509597 /nfs/dbraw/zinc/50/95/97/1075509597.db2.gz MMZMCGBAFGNQAU-UHFFFAOYSA-N 1 0 415.479 0.755 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cccnc2)c1 ZINC000462746294 1075510339 /nfs/dbraw/zinc/51/03/39/1075510339.db2.gz PNUUMUDDIJMWMS-UHFFFAOYSA-N 1 0 405.480 0.290 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)COc2ccc(C(N)=O)cc2)c1 ZINC000462746419 1075510037 /nfs/dbraw/zinc/51/00/37/1075510037.db2.gz UFNBEWCHDGRPRU-UHFFFAOYSA-N 1 0 420.491 0.643 20 0 HCADRO Cn1nnc2cc(C(=O)Nc3cccc(S(=O)(=O)NCC[NH+](C)C)c3)cnc21 ZINC000462746437 1075510420 /nfs/dbraw/zinc/51/04/20/1075510420.db2.gz UYZHPEZAYHAOOI-UHFFFAOYSA-N 1 0 403.468 0.456 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)Cc2nc3ncccn3n2)c1 ZINC000462746970 1075510171 /nfs/dbraw/zinc/51/01/71/1075510171.db2.gz SOTQAGPVYDKIHO-UHFFFAOYSA-N 1 0 403.468 0.145 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(F)cc2)c1 ZINC000462746990 1075510099 /nfs/dbraw/zinc/51/00/99/1075510099.db2.gz WPLZQWIFGUBDBZ-UHFFFAOYSA-N 1 0 422.482 0.921 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cnc3sccn3c2=O)c1 ZINC000462747473 1075510471 /nfs/dbraw/zinc/51/04/71/1075510471.db2.gz VWRUMOHHAVLZAH-UHFFFAOYSA-N 1 0 421.504 0.848 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cccc(OCC(N)=O)c2)c1 ZINC000462747486 1075510367 /nfs/dbraw/zinc/51/03/67/1075510367.db2.gz ZCQSIXITYCQNSW-UHFFFAOYSA-N 1 0 420.491 0.643 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1 ZINC000462748293 1075511056 /nfs/dbraw/zinc/51/10/56/1075511056.db2.gz ZCXXXYWTSMYDIW-UHFFFAOYSA-N 1 0 408.480 0.878 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CC(=O)NCC(F)(F)F)c1 ZINC000462749019 1075510538 /nfs/dbraw/zinc/51/05/38/1075510538.db2.gz MXYZDXYCOWWBSK-UHFFFAOYSA-N 1 0 410.418 0.534 20 0 HCADRO Cc1cc(C)n2nc(C(=O)Nc3cccc(S(=O)(=O)NCC[NH+](C)C)c3)nc2n1 ZINC000462752027 1075511602 /nfs/dbraw/zinc/51/16/02/1075511602.db2.gz FMRUIYRNWBQYRU-UHFFFAOYSA-N 1 0 417.495 0.833 20 0 HCADRO Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462752657 1075506926 /nfs/dbraw/zinc/50/69/26/1075506926.db2.gz FMQDXMRKCQJMJW-UHFFFAOYSA-N 1 0 407.496 0.698 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccccc2OCC(N)=O)c1 ZINC000462752659 1075507067 /nfs/dbraw/zinc/50/70/67/1075507067.db2.gz FPJNIQYVHWOETK-UHFFFAOYSA-N 1 0 420.491 0.643 20 0 HCADRO Cc1ccnc2nc(C(=O)Nc3cccc(S(=O)(=O)NCC[NH+](C)C)c3)nn21 ZINC000462753207 1075507811 /nfs/dbraw/zinc/50/78/11/1075507811.db2.gz JZPXIXFRWIDNHK-UHFFFAOYSA-N 1 0 403.468 0.525 20 0 HCADRO C[C@@H](Sc1nncn1C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462753252 1075507383 /nfs/dbraw/zinc/50/73/83/1075507383.db2.gz KVKXCWKSLPDMCU-GFCCVEGCSA-N 1 0 412.541 0.774 20 0 HCADRO C[C@H](Sc1nncn1C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462753253 1075507498 /nfs/dbraw/zinc/50/74/98/1075507498.db2.gz KVKXCWKSLPDMCU-LBPRGKRZSA-N 1 0 412.541 0.774 20 0 HCADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462753432 1075507446 /nfs/dbraw/zinc/50/74/46/1075507446.db2.gz DNRLGSDHKQGLIS-HNNXBMFYSA-N 1 0 420.557 0.039 20 0 HCADRO CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462753433 1075507307 /nfs/dbraw/zinc/50/73/07/1075507307.db2.gz DNRLGSDHKQGLIS-OAHLLOKOSA-N 1 0 420.557 0.039 20 0 HCADRO CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462753462 1075507265 /nfs/dbraw/zinc/50/72/65/1075507265.db2.gz HDZBFPYSWQSPOF-HNNXBMFYSA-N 1 0 414.553 0.777 20 0 HCADRO CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462753463 1075507459 /nfs/dbraw/zinc/50/74/59/1075507459.db2.gz HDZBFPYSWQSPOF-OAHLLOKOSA-N 1 0 414.553 0.777 20 0 HCADRO COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)ccn1 ZINC000462753525 1075507488 /nfs/dbraw/zinc/50/74/88/1075507488.db2.gz IGNGKAOCBBNOQK-UHFFFAOYSA-N 1 0 406.464 0.960 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccccc2-n2cnnn2)c1 ZINC000462754430 1075508099 /nfs/dbraw/zinc/50/80/99/1075508099.db2.gz GZSDVELBEOEFEX-UHFFFAOYSA-N 1 0 415.479 0.755 20 0 HCADRO CCCCS(=O)(=O)NCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462754507 1075508345 /nfs/dbraw/zinc/50/83/45/1075508345.db2.gz MBPOBLFINNPINT-UHFFFAOYSA-N 1 0 420.557 0.185 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)o2)c1 ZINC000462754510 1075508203 /nfs/dbraw/zinc/50/82/03/1075508203.db2.gz MCFGAUCSWQWLQN-UHFFFAOYSA-N 1 0 416.481 0.019 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000462754568 1075508137 /nfs/dbraw/zinc/50/81/37/1075508137.db2.gz MQQFZHUJFCLCRZ-UHFFFAOYSA-N 1 0 415.479 0.755 20 0 HCADRO COc1ncnc(OC)c1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462754597 1075508300 /nfs/dbraw/zinc/50/83/00/1075508300.db2.gz IHRHYSFBQUBSRY-UHFFFAOYSA-N 1 0 409.468 0.586 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)NC(=O)CO3)c1 ZINC000462754741 1075507783 /nfs/dbraw/zinc/50/77/83/1075507783.db2.gz QXEDDKAFXUAMRH-UHFFFAOYSA-N 1 0 419.463 0.505 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CC2(CS(C)(=O)=O)CC2)c1 ZINC000462754982 1075507725 /nfs/dbraw/zinc/50/77/25/1075507725.db2.gz OHFNRBFHTHLUKP-UHFFFAOYSA-N 1 0 417.553 0.680 20 0 HCADRO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)N1CCSCC1 ZINC000462755179 1075507849 /nfs/dbraw/zinc/50/78/49/1075507849.db2.gz LBXRZAHRDFRPMR-AWEZNQCLSA-N 1 0 400.570 0.902 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)N1CCSCC1 ZINC000462755180 1075507789 /nfs/dbraw/zinc/50/77/89/1075507789.db2.gz LBXRZAHRDFRPMR-CQSZACIVSA-N 1 0 400.570 0.902 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000462755201 1075515041 /nfs/dbraw/zinc/51/50/41/1075515041.db2.gz OPLRVXVSKHOBQR-UHFFFAOYSA-N 1 0 415.479 0.755 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCc2ccco2)c1 ZINC000462755220 1075515023 /nfs/dbraw/zinc/51/50/23/1075515023.db2.gz OXMGSRPQJOMKMS-UHFFFAOYSA-N 1 0 423.495 0.557 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCC(=O)N2CCOCC2)c1 ZINC000462755334 1075514685 /nfs/dbraw/zinc/51/46/85/1075514685.db2.gz JTXPIUNJBLTGHY-UHFFFAOYSA-N 1 0 412.512 0.104 20 0 HCADRO COCCn1cc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)c(C)n1 ZINC000462755484 1075514769 /nfs/dbraw/zinc/51/47/69/1075514769.db2.gz VXYLWMXKLRQRCO-UHFFFAOYSA-N 1 0 409.512 0.930 20 0 HCADRO Cc1nn(C)c(C)c1OCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462755607 1075514817 /nfs/dbraw/zinc/51/48/17/1075514817.db2.gz MLARCESMRPOSMX-UHFFFAOYSA-N 1 0 409.512 0.894 20 0 HCADRO C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462755871 1075509919 /nfs/dbraw/zinc/50/99/19/1075509919.db2.gz XIJTYEOBEHBOGH-ZDUSSCGKSA-N 1 0 408.480 0.877 20 0 HCADRO COC(=O)c1cnc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)cn1 ZINC000462755876 1075509954 /nfs/dbraw/zinc/50/99/54/1075509954.db2.gz XKJZDHDJOIRUAV-UHFFFAOYSA-N 1 0 407.452 0.355 20 0 HCADRO CCN(CC)S(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462755949 1075510947 /nfs/dbraw/zinc/51/09/47/1075510947.db2.gz MXSJZBYWSUZRKO-UHFFFAOYSA-N 1 0 420.557 0.137 20 0 HCADRO C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462755963 1075506571 /nfs/dbraw/zinc/50/65/71/1075506571.db2.gz NCOBRGCQXOSTLR-CYBMUJFWSA-N 1 0 408.480 0.877 20 0 HCADRO C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462755964 1075506540 /nfs/dbraw/zinc/50/65/40/1075506540.db2.gz NCOBRGCQXOSTLR-ZDUSSCGKSA-N 1 0 408.480 0.877 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2coc(S(N)(=O)=O)c2)c1 ZINC000462756195 1075508257 /nfs/dbraw/zinc/50/82/57/1075508257.db2.gz MUUPRPOSMDQSJT-UHFFFAOYSA-N 1 0 416.481 0.019 20 0 HCADRO CC(C)CS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462756640 1075515146 /nfs/dbraw/zinc/51/51/46/1075515146.db2.gz VDDCDLSRKIKGDM-UHFFFAOYSA-N 1 0 405.542 0.536 20 0 HCADRO COC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)nc1 ZINC000462757176 1075515062 /nfs/dbraw/zinc/51/50/62/1075515062.db2.gz YDPXZYQSYKUXMP-UHFFFAOYSA-N 1 0 406.464 0.960 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)c1 ZINC000462757200 1080361587 /nfs/dbraw/zinc/36/15/87/1080361587.db2.gz YLOBFXUDKAMLSI-CYBMUJFWSA-N 1 0 420.495 0.241 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 ZINC000462757471 1075515478 /nfs/dbraw/zinc/51/54/78/1075515478.db2.gz AZKFASDNYUYLGQ-UHFFFAOYSA-N 1 0 423.520 0.441 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2(S(C)(=O)=O)CCCC2)c1 ZINC000462757521 1075515531 /nfs/dbraw/zinc/51/55/31/1075515531.db2.gz BKJWWJMDSDBVML-UHFFFAOYSA-N 1 0 417.553 0.822 20 0 HCADRO Cc1cc(O)cc(=O)n1CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462757533 1075515458 /nfs/dbraw/zinc/51/54/58/1075515458.db2.gz BONQSQNSOJOIIR-UHFFFAOYSA-N 1 0 408.480 0.341 20 0 HCADRO Cn1nnnc1SCCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462757585 1075515495 /nfs/dbraw/zinc/51/54/95/1075515495.db2.gz BWQOBNXPCLJOMS-UHFFFAOYSA-N 1 0 413.529 0.171 20 0 HCADRO COC(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)n1 ZINC000462758381 1075515898 /nfs/dbraw/zinc/51/58/98/1075515898.db2.gz DODNTHQERNSUAU-UHFFFAOYSA-N 1 0 406.464 0.960 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)o2)c1 ZINC000462758506 1075515815 /nfs/dbraw/zinc/51/58/15/1075515815.db2.gz ATHURPZUFYAVIL-UHFFFAOYSA-N 1 0 415.493 0.775 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)nc2)c1 ZINC000462759529 1075516270 /nfs/dbraw/zinc/51/62/70/1075516270.db2.gz DWSJLCAGMMSHNJ-UHFFFAOYSA-N 1 0 415.479 0.755 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2(N3CCOCC3)CCC2)c1 ZINC000462759675 1075516221 /nfs/dbraw/zinc/51/62/21/1075516221.db2.gz YILMDHBKJUVFLS-UHFFFAOYSA-N 1 0 410.540 0.720 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc3n[nH]c(=O)n3c2)c1 ZINC000462760154 1075515961 /nfs/dbraw/zinc/51/59/61/1075515961.db2.gz FMVMGDZHAHUTKD-UHFFFAOYSA-N 1 0 404.452 0.527 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CS(=O)(=O)C2CCCC2)c1 ZINC000462760592 1075511628 /nfs/dbraw/zinc/51/16/28/1075511628.db2.gz HCGVGXLUMUQFLE-UHFFFAOYSA-N 1 0 417.553 0.822 20 0 HCADRO CN1CC[NH+](CC2(C)CCN(C(=O)CNC(=O)Cc3ccc(O)cc3)CC2)CC1 ZINC000462760818 1075511670 /nfs/dbraw/zinc/51/16/70/1075511670.db2.gz IISYIKBRKRIYEX-UHFFFAOYSA-N 1 0 402.539 0.927 20 0 HCADRO COCC(=O)N[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)C(C)C ZINC000462760831 1075511973 /nfs/dbraw/zinc/51/19/73/1075511973.db2.gz IKPLOQUWFMHUSU-KRWDZBQOSA-N 1 0 414.528 0.252 20 0 HCADRO CC(C)CS(=O)(=O)CCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462761269 1075512468 /nfs/dbraw/zinc/51/24/68/1075512468.db2.gz KBQAIAYTGUAOEW-UHFFFAOYSA-N 1 0 419.569 0.926 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2sccc2-n2cnnn2)c1 ZINC000462761442 1075512396 /nfs/dbraw/zinc/51/23/96/1075512396.db2.gz IJROHHHEUYYRPU-UHFFFAOYSA-N 1 0 421.508 0.816 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cn(CC3(C)COC3)nn2)c1 ZINC000462763105 1075512385 /nfs/dbraw/zinc/51/23/85/1075512385.db2.gz NWNMXXFRDVBMHA-UHFFFAOYSA-N 1 0 422.511 0.407 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCCCN2CCOCC2)c1 ZINC000462763149 1075512910 /nfs/dbraw/zinc/51/29/10/1075512910.db2.gz NZBWGEIGQYYGSD-UHFFFAOYSA-N 1 0 412.556 0.968 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cccn3c(=O)[nH]nc23)c1 ZINC000462764765 1075513502 /nfs/dbraw/zinc/51/35/02/1075513502.db2.gz RJKZCIUCSPRSNE-UHFFFAOYSA-N 1 0 404.452 0.527 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Cc2ccccc2)c1 ZINC000462765346 1075513995 /nfs/dbraw/zinc/51/39/95/1075513995.db2.gz SIOIVRNVQKNOHX-UHFFFAOYSA-N 1 0 418.519 0.824 20 0 HCADRO Cc1nnc(CN(C)CC(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)n1C ZINC000462766213 1075514017 /nfs/dbraw/zinc/51/40/17/1075514017.db2.gz VKVOGGCAQOJRAB-UHFFFAOYSA-N 1 0 423.543 0.034 20 0 HCADRO COC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)cn1 ZINC000462766815 1075513941 /nfs/dbraw/zinc/51/39/41/1075513941.db2.gz WUGMRILTLKMMLZ-UHFFFAOYSA-N 1 0 406.464 0.960 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(OCC(N)=O)cc2)c1 ZINC000462767496 1075514320 /nfs/dbraw/zinc/51/43/20/1075514320.db2.gz YLQUYALXMRCLEV-UHFFFAOYSA-N 1 0 420.491 0.643 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cnc3ccccn3c2=O)c1 ZINC000462768406 1075519631 /nfs/dbraw/zinc/51/96/31/1075519631.db2.gz YBRZRFACVUOQDU-UHFFFAOYSA-N 1 0 415.475 0.787 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CS(=O)(=O)C(C)(C)C)c1 ZINC000462768450 1075519621 /nfs/dbraw/zinc/51/96/21/1075519621.db2.gz YMPQOSQYOXAIHI-UHFFFAOYSA-N 1 0 405.542 0.678 20 0 HCADRO CNC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)cn1 ZINC000462768556 1075519499 /nfs/dbraw/zinc/51/94/99/1075519499.db2.gz YYBFWVNJYPVGFX-UHFFFAOYSA-N 1 0 405.480 0.533 20 0 HCADRO CSCC[C@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462769784 1075519460 /nfs/dbraw/zinc/51/94/60/1075519460.db2.gz ZJAGIOWNWBICCF-AWEZNQCLSA-N 1 0 417.557 0.255 20 0 HCADRO CSCC[C@@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462769785 1075519651 /nfs/dbraw/zinc/51/96/51/1075519651.db2.gz ZJAGIOWNWBICCF-CQSZACIVSA-N 1 0 417.557 0.255 20 0 HCADRO Cn1cc(C[NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)c(C(F)F)n1 ZINC000462775390 1075516982 /nfs/dbraw/zinc/51/69/82/1075516982.db2.gz BIVIIDSQQHGSPJ-UHFFFAOYSA-N 1 0 414.482 0.994 20 0 HCADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CNC(=O)Cc2ccc(O)cc2)CC1 ZINC000462780428 1075518046 /nfs/dbraw/zinc/51/80/46/1075518046.db2.gz VPRDTVFSVFWZRX-UHFFFAOYSA-N 1 0 418.538 0.794 20 0 HCADRO COC(=O)c1cc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)n(C)c1C ZINC000462784856 1075519070 /nfs/dbraw/zinc/51/90/70/1075519070.db2.gz HTOKLYWYNOPYFM-UHFFFAOYSA-N 1 0 400.483 0.739 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc1 ZINC000462787587 1075521686 /nfs/dbraw/zinc/52/16/86/1075521686.db2.gz CEMBWFJVVQJOPZ-UHFFFAOYSA-N 1 0 409.556 0.808 20 0 HCADRO COC(=O)C1CC[NH+](CCCNc2ccc(S(=O)(=O)NCC3CC3)cn2)CC1 ZINC000462791665 1075522410 /nfs/dbraw/zinc/52/24/10/1075522410.db2.gz ZJIMIZICOCVOEK-UHFFFAOYSA-N 1 0 410.540 1.457 20 0 HCADRO COC(=O)c1cc(C[NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)n(C)c1C ZINC000462791948 1075522401 /nfs/dbraw/zinc/52/24/01/1075522401.db2.gz TZTIEGDHLBSLGE-UHFFFAOYSA-N 1 0 414.528 0.251 20 0 HCADRO COC(=O)c1cc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n(C)c1C ZINC000462793118 1075522919 /nfs/dbraw/zinc/52/29/19/1075522919.db2.gz XRWIWUQEPFZSRP-UHFFFAOYSA-N 1 0 409.512 0.797 20 0 HCADRO NS(=O)(=O)c1cnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)s1 ZINC000462793142 1075522881 /nfs/dbraw/zinc/52/28/81/1075522881.db2.gz YGQLFRSXUVBHSM-UHFFFAOYSA-N 1 0 401.558 0.609 20 0 HCADRO Cn1c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000462793155 1075522837 /nfs/dbraw/zinc/52/28/37/1075522837.db2.gz YPALQEGGFQJNAQ-UHFFFAOYSA-N 1 0 417.514 0.191 20 0 HCADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462800396 1075525150 /nfs/dbraw/zinc/52/51/50/1075525150.db2.gz BWZXTDIYYMBXFG-MPGHIAIKSA-N 1 0 405.524 0.724 20 0 HCADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462800397 1075525257 /nfs/dbraw/zinc/52/52/57/1075525257.db2.gz BWZXTDIYYMBXFG-RLFYNMQTSA-N 1 0 405.524 0.724 20 0 HCADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462800398 1075525212 /nfs/dbraw/zinc/52/52/12/1075525212.db2.gz BWZXTDIYYMBXFG-RVKKMQEKSA-N 1 0 405.524 0.724 20 0 HCADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462800399 1075525323 /nfs/dbraw/zinc/52/53/23/1075525323.db2.gz BWZXTDIYYMBXFG-VKJFTORMSA-N 1 0 405.524 0.724 20 0 HCADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462800620 1075524647 /nfs/dbraw/zinc/52/46/47/1075524647.db2.gz CWPXMEGCXGYRIL-AEFFLSMTSA-N 1 0 424.567 0.457 20 0 HCADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462800623 1075524741 /nfs/dbraw/zinc/52/47/41/1075524741.db2.gz CWPXMEGCXGYRIL-FUHWJXTLSA-N 1 0 424.567 0.457 20 0 HCADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462800625 1075524875 /nfs/dbraw/zinc/52/48/75/1075524875.db2.gz CWPXMEGCXGYRIL-SJLPKXTDSA-N 1 0 424.567 0.457 20 0 HCADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462800626 1075524783 /nfs/dbraw/zinc/52/47/83/1075524783.db2.gz CWPXMEGCXGYRIL-WMZOPIPTSA-N 1 0 424.567 0.457 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000462800665 1075525276 /nfs/dbraw/zinc/52/52/76/1075525276.db2.gz DHUBATDFZRNRAB-CXAGYDPISA-N 1 0 419.507 0.029 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000462800670 1075525165 /nfs/dbraw/zinc/52/51/65/1075525165.db2.gz DHUBATDFZRNRAB-DYVFJYSZSA-N 1 0 419.507 0.029 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000462800672 1075525351 /nfs/dbraw/zinc/52/53/51/1075525351.db2.gz DHUBATDFZRNRAB-GUYCJALGSA-N 1 0 419.507 0.029 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000462800674 1075525184 /nfs/dbraw/zinc/52/51/84/1075525184.db2.gz DHUBATDFZRNRAB-SUMWQHHRSA-N 1 0 419.507 0.029 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000462803932 1075525766 /nfs/dbraw/zinc/52/57/66/1075525766.db2.gz CIHDWLKQSQXUFZ-DZGCQCFKSA-N 1 0 420.491 0.294 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000462803933 1075525596 /nfs/dbraw/zinc/52/55/96/1075525596.db2.gz CIHDWLKQSQXUFZ-HIFRSBDPSA-N 1 0 420.491 0.294 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000462803934 1075525633 /nfs/dbraw/zinc/52/56/33/1075525633.db2.gz CIHDWLKQSQXUFZ-UKRRQHHQSA-N 1 0 420.491 0.294 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000462803935 1075525720 /nfs/dbraw/zinc/52/57/20/1075525720.db2.gz CIHDWLKQSQXUFZ-ZFWWWQNUSA-N 1 0 420.491 0.294 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000462804536 1075526159 /nfs/dbraw/zinc/52/61/59/1075526159.db2.gz LNMBHKUMXFIWGN-BVBHFADKSA-N 1 0 419.547 0.659 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000462804537 1075526203 /nfs/dbraw/zinc/52/62/03/1075526203.db2.gz LNMBHKUMXFIWGN-LULLPPNCSA-N 1 0 419.547 0.659 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000462804538 1075526010 /nfs/dbraw/zinc/52/60/10/1075526010.db2.gz LNMBHKUMXFIWGN-OWYHZJEWSA-N 1 0 419.547 0.659 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000462804539 1075526192 /nfs/dbraw/zinc/52/61/92/1075526192.db2.gz LNMBHKUMXFIWGN-YSHGAJCASA-N 1 0 419.547 0.659 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000462808057 1075526471 /nfs/dbraw/zinc/52/64/71/1075526471.db2.gz GMBLKXJUQVMWFX-GIVPXCGWSA-N 1 0 414.550 0.804 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000462808058 1075526555 /nfs/dbraw/zinc/52/65/55/1075526555.db2.gz GMBLKXJUQVMWFX-HLAWJBBLSA-N 1 0 414.550 0.804 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000462808059 1075526389 /nfs/dbraw/zinc/52/63/89/1075526389.db2.gz GMBLKXJUQVMWFX-HMXCVIKNSA-N 1 0 414.550 0.804 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000462808060 1075526592 /nfs/dbraw/zinc/52/65/92/1075526592.db2.gz GMBLKXJUQVMWFX-NRSPTQNISA-N 1 0 414.550 0.804 20 0 HCADRO Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1C ZINC000462813271 1075527903 /nfs/dbraw/zinc/52/79/03/1075527903.db2.gz LGBPDOXGCNENQZ-PBHICJAKSA-N 1 0 405.524 0.644 20 0 HCADRO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1C ZINC000462813272 1075527950 /nfs/dbraw/zinc/52/79/50/1075527950.db2.gz LGBPDOXGCNENQZ-RHSMWYFYSA-N 1 0 405.524 0.644 20 0 HCADRO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1C ZINC000462813273 1075527826 /nfs/dbraw/zinc/52/78/26/1075527826.db2.gz LGBPDOXGCNENQZ-WMLDXEAASA-N 1 0 405.524 0.644 20 0 HCADRO Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1C ZINC000462813274 1075527868 /nfs/dbraw/zinc/52/78/68/1075527868.db2.gz LGBPDOXGCNENQZ-YOEHRIQHSA-N 1 0 405.524 0.644 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CC1 ZINC000462814493 1075527923 /nfs/dbraw/zinc/52/79/23/1075527923.db2.gz FRRHAWOQVUEHKK-UHFFFAOYSA-N 1 0 409.556 0.760 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1=O ZINC000462818573 1075528667 /nfs/dbraw/zinc/52/86/67/1075528667.db2.gz RJRTWGXGOVYYPE-INIZCTEOSA-N 1 0 408.524 0.253 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1=O ZINC000462818574 1075528601 /nfs/dbraw/zinc/52/86/01/1075528601.db2.gz RJRTWGXGOVYYPE-MRXNPFEDSA-N 1 0 408.524 0.253 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000462819531 1075528631 /nfs/dbraw/zinc/52/86/31/1075528631.db2.gz UGEZFPGOQALDLZ-DZGCQCFKSA-N 1 0 410.478 0.932 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000462819532 1075528553 /nfs/dbraw/zinc/52/85/53/1075528553.db2.gz UGEZFPGOQALDLZ-HIFRSBDPSA-N 1 0 410.478 0.932 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000462819533 1075528750 /nfs/dbraw/zinc/52/87/50/1075528750.db2.gz UGEZFPGOQALDLZ-UKRRQHHQSA-N 1 0 410.478 0.932 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000462819534 1075528723 /nfs/dbraw/zinc/52/87/23/1075528723.db2.gz UGEZFPGOQALDLZ-ZFWWWQNUSA-N 1 0 410.478 0.932 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CC1 ZINC000462821472 1075529054 /nfs/dbraw/zinc/52/90/54/1075529054.db2.gz QXGAPHCJDQFAMV-UHFFFAOYSA-N 1 0 407.540 0.514 20 0 HCADRO O=C1CN(Cc2cccc(NC3CC[NH+](CCN4CCOCC4)CC3)c2)CCN1 ZINC000462833037 1075531060 /nfs/dbraw/zinc/53/10/60/1075531060.db2.gz NTXJLOKQMJKVTP-UHFFFAOYSA-N 1 0 401.555 0.827 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H](C[NH+]4CCOCC4)C3)nc2)CC1 ZINC000462844030 1075535885 /nfs/dbraw/zinc/53/58/85/1075535885.db2.gz HYZKKONPKOERBM-GOSISDBHSA-N 1 0 423.583 0.566 20 0 HCADRO COc1ccc(OC)c(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)c1 ZINC000462849657 1075532995 /nfs/dbraw/zinc/53/29/95/1075532995.db2.gz FLFBNAVXSYTHEL-HNNXBMFYSA-N 1 0 417.466 0.934 20 0 HCADRO COc1ccc(OC)c(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)c1 ZINC000462849658 1075532810 /nfs/dbraw/zinc/53/28/10/1075532810.db2.gz FLFBNAVXSYTHEL-OAHLLOKOSA-N 1 0 417.466 0.934 20 0 HCADRO CC(C)Cn1cc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)cn1 ZINC000462849696 1075532951 /nfs/dbraw/zinc/53/29/51/1075532951.db2.gz FXIZNGOUZYQOAI-KRWDZBQOSA-N 1 0 403.487 0.770 20 0 HCADRO CC(C)Cn1cc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)cn1 ZINC000462849697 1075532825 /nfs/dbraw/zinc/53/28/25/1075532825.db2.gz FXIZNGOUZYQOAI-QGZVFWFLSA-N 1 0 403.487 0.770 20 0 HCADRO CN(C)c1ccccc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000462850497 1075533217 /nfs/dbraw/zinc/53/32/17/1075533217.db2.gz FSNYTLCPHKNXPI-INIZCTEOSA-N 1 0 400.483 0.983 20 0 HCADRO CN(C)c1ccccc1NC(=O)C(=O)Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1 ZINC000462850525 1075533202 /nfs/dbraw/zinc/53/32/02/1075533202.db2.gz FSNYTLCPHKNXPI-MRXNPFEDSA-N 1 0 400.483 0.983 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)cc1 ZINC000462852061 1075533239 /nfs/dbraw/zinc/53/32/39/1075533239.db2.gz KOSJOOAASITSDM-KRWDZBQOSA-N 1 0 415.450 0.704 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)cc1 ZINC000462852062 1075533594 /nfs/dbraw/zinc/53/35/94/1075533594.db2.gz KOSJOOAASITSDM-QGZVFWFLSA-N 1 0 415.450 0.704 20 0 HCADRO O=C(Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1cccc2c1OCO2 ZINC000462852618 1075533792 /nfs/dbraw/zinc/53/37/92/1075533792.db2.gz GWHNHQZYAXCDBW-AWEZNQCLSA-N 1 0 401.423 0.646 20 0 HCADRO O=C(Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1cccc2c1OCO2 ZINC000462852619 1075533846 /nfs/dbraw/zinc/53/38/46/1075533846.db2.gz GWHNHQZYAXCDBW-CQSZACIVSA-N 1 0 401.423 0.646 20 0 HCADRO O=C(Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000462854652 1075535485 /nfs/dbraw/zinc/53/54/85/1075535485.db2.gz NBHARGGCVSTJOM-INIZCTEOSA-N 1 0 415.450 0.688 20 0 HCADRO O=C(Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000462854653 1075535626 /nfs/dbraw/zinc/53/56/26/1075535626.db2.gz NBHARGGCVSTJOM-MRXNPFEDSA-N 1 0 415.450 0.688 20 0 HCADRO CCOc1ncccc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000462855452 1075536314 /nfs/dbraw/zinc/53/63/14/1075536314.db2.gz VJTILRSNMIEIMT-HNNXBMFYSA-N 1 0 402.455 0.711 20 0 HCADRO CCOc1ncccc1NC(=O)C(=O)Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1 ZINC000462855456 1075536577 /nfs/dbraw/zinc/53/65/77/1075536577.db2.gz VJTILRSNMIEIMT-OAHLLOKOSA-N 1 0 402.455 0.711 20 0 HCADRO CC[C@@H](C)n1nc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)cc1C ZINC000462855915 1075535903 /nfs/dbraw/zinc/53/59/03/1075535903.db2.gz DRQNSMMDRAJTQR-PBHICJAKSA-N 1 0 417.514 1.393 20 0 HCADRO CC[C@@H](C)n1nc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)cc1C ZINC000462855916 1075535871 /nfs/dbraw/zinc/53/58/71/1075535871.db2.gz DRQNSMMDRAJTQR-RHSMWYFYSA-N 1 0 417.514 1.393 20 0 HCADRO CC[C@H](C)n1nc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)cc1C ZINC000462855917 1075535920 /nfs/dbraw/zinc/53/59/20/1075535920.db2.gz DRQNSMMDRAJTQR-WMLDXEAASA-N 1 0 417.514 1.393 20 0 HCADRO CC[C@H](C)n1nc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)cc1C ZINC000462855918 1075535909 /nfs/dbraw/zinc/53/59/09/1075535909.db2.gz DRQNSMMDRAJTQR-YOEHRIQHSA-N 1 0 417.514 1.393 20 0 HCADRO COC(=O)c1ccccc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000462856809 1075539015 /nfs/dbraw/zinc/53/90/15/1075539015.db2.gz WDSZIOGSVFSPRN-HNNXBMFYSA-N 1 0 415.450 0.704 20 0 HCADRO COC(=O)c1ccccc1NC(=O)C(=O)Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1 ZINC000462856810 1075539033 /nfs/dbraw/zinc/53/90/33/1075539033.db2.gz WDSZIOGSVFSPRN-OAHLLOKOSA-N 1 0 415.450 0.704 20 0 HCADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000462857187 1075538594 /nfs/dbraw/zinc/53/85/94/1075538594.db2.gz SDTYMZCWRFPVCI-INIZCTEOSA-N 1 0 400.273 0.887 20 0 HCADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000462857190 1075538567 /nfs/dbraw/zinc/53/85/67/1075538567.db2.gz SDTYMZCWRFPVCI-MRXNPFEDSA-N 1 0 400.273 0.887 20 0 HCADRO CCn1nc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)cc1C1CC1 ZINC000462857611 1075539760 /nfs/dbraw/zinc/53/97/60/1075539760.db2.gz TWZVOZKGFQKTRR-INIZCTEOSA-N 1 0 415.498 1.011 20 0 HCADRO CCn1nc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)cc1C1CC1 ZINC000462857618 1075539804 /nfs/dbraw/zinc/53/98/04/1075539804.db2.gz TWZVOZKGFQKTRR-MRXNPFEDSA-N 1 0 415.498 1.011 20 0 HCADRO Fc1cc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)cnc1N1CCOCC1 ZINC000462857740 1075539394 /nfs/dbraw/zinc/53/93/94/1075539394.db2.gz XPIJIQRIGROFJL-UHFFFAOYSA-N 1 0 407.534 0.944 20 0 HCADRO COC(=O)c1sccc1NC(=O)C(=O)Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1 ZINC000462858466 1075540102 /nfs/dbraw/zinc/54/01/02/1075540102.db2.gz YOBAOCSOSJDVCU-CYBMUJFWSA-N 1 0 421.479 0.765 20 0 HCADRO COC(=O)c1sccc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000462858467 1075540011 /nfs/dbraw/zinc/54/00/11/1075540011.db2.gz YOBAOCSOSJDVCU-ZDUSSCGKSA-N 1 0 421.479 0.765 20 0 HCADRO CN1Cc2ccc(NC(=O)C(=O)Nc3cnn(C[C@@H](O)C[NH+]4CCCC4)c3)cc2C1 ZINC000462858501 1075540142 /nfs/dbraw/zinc/54/01/42/1075540142.db2.gz VZUORXJQQMMHMH-IBGZPJMESA-N 1 0 412.494 0.862 20 0 HCADRO CN1Cc2ccc(NC(=O)C(=O)Nc3cnn(C[C@H](O)C[NH+]4CCCC4)c3)cc2C1 ZINC000462858502 1075540081 /nfs/dbraw/zinc/54/00/81/1075540081.db2.gz VZUORXJQQMMHMH-LJQANCHMSA-N 1 0 412.494 0.862 20 0 HCADRO CCCCn1nccc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000462858762 1075540098 /nfs/dbraw/zinc/54/00/98/1075540098.db2.gz KIQADHZGACDXLP-INIZCTEOSA-N 1 0 403.487 0.914 20 0 HCADRO CCCCn1nccc1NC(=O)C(=O)Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1 ZINC000462858763 1075540026 /nfs/dbraw/zinc/54/00/26/1075540026.db2.gz KIQADHZGACDXLP-MRXNPFEDSA-N 1 0 403.487 0.914 20 0 HCADRO COC(=O)c1cccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)c1 ZINC000462859832 1075540429 /nfs/dbraw/zinc/54/04/29/1075540429.db2.gz YUQBJISUIHHSKZ-KRWDZBQOSA-N 1 0 415.450 0.704 20 0 HCADRO COC(=O)c1cccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)c1 ZINC000462859833 1075540310 /nfs/dbraw/zinc/54/03/10/1075540310.db2.gz YUQBJISUIHHSKZ-QGZVFWFLSA-N 1 0 415.450 0.704 20 0 HCADRO COc1cc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)cc(OC)c1 ZINC000462860328 1075540790 /nfs/dbraw/zinc/54/07/90/1075540790.db2.gz OIJWMLFCTPBPEM-INIZCTEOSA-N 1 0 417.466 0.934 20 0 HCADRO COc1cc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)cc(OC)c1 ZINC000462860329 1075541045 /nfs/dbraw/zinc/54/10/45/1075541045.db2.gz OIJWMLFCTPBPEM-MRXNPFEDSA-N 1 0 417.466 0.934 20 0 HCADRO COc1ccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)c(OC)c1 ZINC000462861262 1075540664 /nfs/dbraw/zinc/54/06/64/1075540664.db2.gz IVRGNMGFFUSOHG-HNNXBMFYSA-N 1 0 417.466 0.934 20 0 HCADRO COc1ccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)c(OC)c1 ZINC000462861263 1075540739 /nfs/dbraw/zinc/54/07/39/1075540739.db2.gz IVRGNMGFFUSOHG-OAHLLOKOSA-N 1 0 417.466 0.934 20 0 HCADRO CC(C)(C)n1nccc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000462861537 1075541183 /nfs/dbraw/zinc/54/11/83/1075541183.db2.gz SLHZHKHMEWGSPK-HNNXBMFYSA-N 1 0 403.487 0.869 20 0 HCADRO CC(C)(C)n1nccc1NC(=O)C(=O)Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1 ZINC000462861538 1075541037 /nfs/dbraw/zinc/54/10/37/1075541037.db2.gz SLHZHKHMEWGSPK-OAHLLOKOSA-N 1 0 403.487 0.869 20 0 HCADRO CC(C)c1cc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000462861803 1075541166 /nfs/dbraw/zinc/54/11/66/1075541166.db2.gz TWBSLYZGIICDGE-UHFFFAOYSA-N 1 0 412.560 1.119 20 0 HCADRO O=C(Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1cccc2c1OCCO2 ZINC000462863374 1075541410 /nfs/dbraw/zinc/54/14/10/1075541410.db2.gz OYYULPXWEBHMNA-HNNXBMFYSA-N 1 0 415.450 0.688 20 0 HCADRO O=C(Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1cccc2c1OCCO2 ZINC000462863375 1075541552 /nfs/dbraw/zinc/54/15/52/1075541552.db2.gz OYYULPXWEBHMNA-OAHLLOKOSA-N 1 0 415.450 0.688 20 0 HCADRO O=C(Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000462864419 1075541921 /nfs/dbraw/zinc/54/19/21/1075541921.db2.gz UVJWVQDWWZMVLG-GOSISDBHSA-N 1 0 424.465 0.498 20 0 HCADRO O=C(Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000462864430 1075541764 /nfs/dbraw/zinc/54/17/64/1075541764.db2.gz UVJWVQDWWZMVLG-SFHVURJKSA-N 1 0 424.465 0.498 20 0 HCADRO O=C(Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000462864682 1075541855 /nfs/dbraw/zinc/54/18/55/1075541855.db2.gz ZJNCRWJTCCXIPU-GOSISDBHSA-N 1 0 424.465 0.498 20 0 HCADRO O=C(Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000462864684 1075541915 /nfs/dbraw/zinc/54/19/15/1075541915.db2.gz ZJNCRWJTCCXIPU-SFHVURJKSA-N 1 0 424.465 0.498 20 0 HCADRO CC(C)Cn1nccc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000462867038 1075542208 /nfs/dbraw/zinc/54/22/08/1075542208.db2.gz RCMFOKNLKKGNEO-INIZCTEOSA-N 1 0 403.487 0.770 20 0 HCADRO CC(C)Cn1nccc1NC(=O)C(=O)Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1 ZINC000462867040 1075542234 /nfs/dbraw/zinc/54/22/34/1075542234.db2.gz RCMFOKNLKKGNEO-MRXNPFEDSA-N 1 0 403.487 0.770 20 0 HCADRO CC(C)(C)c1cc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)no1 ZINC000462867157 1075542276 /nfs/dbraw/zinc/54/22/76/1075542276.db2.gz FZVNCUHFDSBNQD-AWEZNQCLSA-N 1 0 404.471 1.203 20 0 HCADRO CC(C)(C)c1cc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)no1 ZINC000462867158 1075542185 /nfs/dbraw/zinc/54/21/85/1075542185.db2.gz FZVNCUHFDSBNQD-CQSZACIVSA-N 1 0 404.471 1.203 20 0 HCADRO Cc1cc2c(cc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)C[NH+]3CCCC3)c1)OCO2 ZINC000462868124 1075542669 /nfs/dbraw/zinc/54/26/69/1075542669.db2.gz AAXZLTPEACGOPS-HNNXBMFYSA-N 1 0 415.450 0.954 20 0 HCADRO Cc1cc2c(cc1NC(=O)C(=O)Nc1cnn(C[C@H](O)C[NH+]3CCCC3)c1)OCO2 ZINC000462868125 1075542582 /nfs/dbraw/zinc/54/25/82/1075542582.db2.gz AAXZLTPEACGOPS-OAHLLOKOSA-N 1 0 415.450 0.954 20 0 HCADRO CCCc1cc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)n(C)n1 ZINC000462868634 1075542546 /nfs/dbraw/zinc/54/25/46/1075542546.db2.gz BITVVUAUUMADIW-INIZCTEOSA-N 1 0 403.487 0.603 20 0 HCADRO CCCc1cc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)n(C)n1 ZINC000462868639 1075543011 /nfs/dbraw/zinc/54/30/11/1075543011.db2.gz BITVVUAUUMADIW-MRXNPFEDSA-N 1 0 403.487 0.603 20 0 HCADRO COc1ncc(C)cc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000462869628 1075537444 /nfs/dbraw/zinc/53/74/44/1075537444.db2.gz WWUXNVIWVLZYKO-HNNXBMFYSA-N 1 0 402.455 0.629 20 0 HCADRO COc1ncc(C)cc1NC(=O)C(=O)Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1 ZINC000462869629 1075537329 /nfs/dbraw/zinc/53/73/29/1075537329.db2.gz WWUXNVIWVLZYKO-OAHLLOKOSA-N 1 0 402.455 0.629 20 0 HCADRO COc1ccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)cc1OC ZINC000462870521 1075537809 /nfs/dbraw/zinc/53/78/09/1075537809.db2.gz FEACMZCLKPMVOO-INIZCTEOSA-N 1 0 417.466 0.934 20 0 HCADRO COc1ccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)cc1OC ZINC000462870522 1075537780 /nfs/dbraw/zinc/53/77/80/1075537780.db2.gz FEACMZCLKPMVOO-MRXNPFEDSA-N 1 0 417.466 0.934 20 0 HCADRO COc1ccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)c(C)n1 ZINC000462874682 1075546039 /nfs/dbraw/zinc/54/60/39/1075546039.db2.gz QXMZLAYWKUGSIN-HNNXBMFYSA-N 1 0 402.455 0.629 20 0 HCADRO COc1ccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)c(C)n1 ZINC000462874683 1075545871 /nfs/dbraw/zinc/54/58/71/1075545871.db2.gz QXMZLAYWKUGSIN-OAHLLOKOSA-N 1 0 402.455 0.629 20 0 HCADRO Cn1cnc2cc(NC(=O)C(=O)Nc3cnn(C[C@@H](O)C[NH+]4CCCC4)c3)ccc21 ZINC000462877903 1075547308 /nfs/dbraw/zinc/54/73/08/1075547308.db2.gz RNDYBMURAYURPN-INIZCTEOSA-N 1 0 411.466 0.804 20 0 HCADRO Cn1cnc2cc(NC(=O)C(=O)Nc3cnn(C[C@H](O)C[NH+]4CCCC4)c3)ccc21 ZINC000462877904 1075547263 /nfs/dbraw/zinc/54/72/63/1075547263.db2.gz RNDYBMURAYURPN-MRXNPFEDSA-N 1 0 411.466 0.804 20 0 HCADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(C(=O)OC)c(C)n2C)C1 ZINC000462895427 1075551261 /nfs/dbraw/zinc/55/12/61/1075551261.db2.gz LWDZKJNXOVCVOG-INIZCTEOSA-N 1 0 401.529 0.993 20 0 HCADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(C(=O)OC)c(C)n2C)C1 ZINC000462895428 1075551412 /nfs/dbraw/zinc/55/14/12/1075551412.db2.gz LWDZKJNXOVCVOG-MRXNPFEDSA-N 1 0 401.529 0.993 20 0 HCADRO COC(=O)CCC[NH+]1CCC(N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000462899830 1075551742 /nfs/dbraw/zinc/55/17/42/1075551742.db2.gz DYCQGHGGPRZEEI-CYBMUJFWSA-N 1 0 403.467 0.816 20 0 HCADRO COC(=O)CCC[NH+]1CCC(N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000462899831 1075551671 /nfs/dbraw/zinc/55/16/71/1075551671.db2.gz DYCQGHGGPRZEEI-ZDUSSCGKSA-N 1 0 403.467 0.816 20 0 HCADRO COC(=O)CCCN1CCC([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000462901088 1075552082 /nfs/dbraw/zinc/55/20/82/1075552082.db2.gz BDCRAZBYXGOEJL-KRWDZBQOSA-N 1 0 404.577 0.655 20 0 HCADRO COC(=O)CCCN1CCC([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000462901089 1075552020 /nfs/dbraw/zinc/55/20/20/1075552020.db2.gz BDCRAZBYXGOEJL-QGZVFWFLSA-N 1 0 404.577 0.655 20 0 HCADRO COC(=O)CCCN1CCC([NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)CC1 ZINC000462901789 1075552068 /nfs/dbraw/zinc/55/20/68/1075552068.db2.gz FOARJYVPQZPUIP-UHFFFAOYSA-N 1 0 420.557 0.443 20 0 HCADRO COC(=O)c1cc(C[NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)n(C)c1C ZINC000462902801 1075552839 /nfs/dbraw/zinc/55/28/39/1075552839.db2.gz MAUNENJFWZMZRZ-UHFFFAOYSA-N 1 0 402.498 0.659 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)nc2)CC1 ZINC000462915469 1075555097 /nfs/dbraw/zinc/55/50/97/1075555097.db2.gz UWLVZRURFYYDNY-KRWDZBQOSA-N 1 0 409.556 0.176 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccc(N3CC[C@H](C[NH+]4CCOCC4)C3)nc2)CC1 ZINC000462915470 1075555148 /nfs/dbraw/zinc/55/51/48/1075555148.db2.gz UWLVZRURFYYDNY-QGZVFWFLSA-N 1 0 409.556 0.176 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CC(=O)N(C)C2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000462921708 1075559403 /nfs/dbraw/zinc/55/94/03/1075559403.db2.gz ITLFGYLJFYYQEL-KRWDZBQOSA-N 1 0 410.478 0.835 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CC(=O)N(C)C2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000462921709 1075559236 /nfs/dbraw/zinc/55/92/36/1075559236.db2.gz ITLFGYLJFYYQEL-QGZVFWFLSA-N 1 0 410.478 0.835 20 0 HCADRO CC(C)c1cc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)nc(N(C)C)n1 ZINC000462925061 1075556316 /nfs/dbraw/zinc/55/63/16/1075556316.db2.gz TYBXIZYQRIZNOI-UHFFFAOYSA-N 1 0 411.576 0.280 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C(=O)N2CC(=O)N(C)C2)ccc1Cl ZINC000462926272 1075556607 /nfs/dbraw/zinc/55/66/07/1075556607.db2.gz FDQPAPOIIXBREG-UHFFFAOYSA-N 1 0 423.901 0.608 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC1 ZINC000462927033 1075557029 /nfs/dbraw/zinc/55/70/29/1075557029.db2.gz GHJLMMXUXQPLDB-UHFFFAOYSA-N 1 0 419.530 0.437 20 0 HCADRO CN1CN(C(=O)C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC1=O ZINC000462928484 1075557839 /nfs/dbraw/zinc/55/78/39/1075557839.db2.gz RNDACJOZPQSPAO-UHFFFAOYSA-N 1 0 401.467 0.698 20 0 HCADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)N1CC(=O)N(C)C1 ZINC000462929686 1075558164 /nfs/dbraw/zinc/55/81/64/1075558164.db2.gz NXZFDPLKVUPBQY-KRWDZBQOSA-N 1 0 410.478 0.835 20 0 HCADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)N1CC(=O)N(C)C1 ZINC000462929687 1075558245 /nfs/dbraw/zinc/55/82/45/1075558245.db2.gz NXZFDPLKVUPBQY-QGZVFWFLSA-N 1 0 410.478 0.835 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000462929745 1075558292 /nfs/dbraw/zinc/55/82/92/1075558292.db2.gz PEFCKVFNFNGDRZ-UHFFFAOYSA-N 1 0 403.574 0.855 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(C)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000462933350 1075558462 /nfs/dbraw/zinc/55/84/62/1075558462.db2.gz QWVRQEQRIHBZBR-INIZCTEOSA-N 1 0 401.467 0.049 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(C)C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000462933351 1075558654 /nfs/dbraw/zinc/55/86/54/1075558654.db2.gz QWVRQEQRIHBZBR-MRXNPFEDSA-N 1 0 401.467 0.049 20 0 HCADRO CN1CN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)CC1=O ZINC000462935835 1075562198 /nfs/dbraw/zinc/56/21/98/1075562198.db2.gz LSCVYLURBBIJAF-UHFFFAOYSA-N 1 0 422.489 0.600 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)Cc3ccc(O)cc3)cn2)CC1 ZINC000462935917 1075562172 /nfs/dbraw/zinc/56/21/72/1075562172.db2.gz MJHSPBVFBAINRZ-UHFFFAOYSA-N 1 0 411.506 0.904 20 0 HCADRO CN1CN(C(=O)C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1=O ZINC000462937151 1075562618 /nfs/dbraw/zinc/56/26/18/1075562618.db2.gz YPMWWOVYRBHSJF-UHFFFAOYSA-N 1 0 401.467 0.698 20 0 HCADRO CN1CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1=O ZINC000462937152 1075562956 /nfs/dbraw/zinc/56/29/56/1075562956.db2.gz YQVGGBZLZCXART-UHFFFAOYSA-N 1 0 401.467 0.698 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000462939588 1075559881 /nfs/dbraw/zinc/55/98/81/1075559881.db2.gz GTTRBHRRHVAUGH-KBXCAEBGSA-N 1 0 416.503 0.909 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000462939589 1075560072 /nfs/dbraw/zinc/56/00/72/1075560072.db2.gz GTTRBHRRHVAUGH-KDOFPFPSSA-N 1 0 416.503 0.909 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000462939590 1075560066 /nfs/dbraw/zinc/56/00/66/1075560066.db2.gz GTTRBHRRHVAUGH-KSSFIOAISA-N 1 0 416.503 0.909 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000462939591 1075559933 /nfs/dbraw/zinc/55/99/33/1075559933.db2.gz GTTRBHRRHVAUGH-RDTXWAMCSA-N 1 0 416.503 0.909 20 0 HCADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462951706 1075564341 /nfs/dbraw/zinc/56/43/41/1075564341.db2.gz RWRFWEJONCRFIV-PBHICJAKSA-N 1 0 413.478 1.172 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000462954487 1075565106 /nfs/dbraw/zinc/56/51/06/1075565106.db2.gz QMIBQSRDKPDDBT-CRAIPNDOSA-N 1 0 412.494 0.547 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000462954488 1075564987 /nfs/dbraw/zinc/56/49/87/1075564987.db2.gz QMIBQSRDKPDDBT-MAUKXSAKSA-N 1 0 412.494 0.547 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000462954489 1075565059 /nfs/dbraw/zinc/56/50/59/1075565059.db2.gz QMIBQSRDKPDDBT-QAPCUYQASA-N 1 0 412.494 0.547 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000462954490 1075565077 /nfs/dbraw/zinc/56/50/77/1075565077.db2.gz QMIBQSRDKPDDBT-YJBOKZPZSA-N 1 0 412.494 0.547 20 0 HCADRO C[C@@H](c1ccsc1)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000462958899 1075565809 /nfs/dbraw/zinc/56/58/09/1075565809.db2.gz RJIXAEPCEIOJMW-HNNXBMFYSA-N 1 0 404.540 1.350 20 0 HCADRO C[C@H](c1ccsc1)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000462958900 1075565871 /nfs/dbraw/zinc/56/58/71/1075565871.db2.gz RJIXAEPCEIOJMW-OAHLLOKOSA-N 1 0 404.540 1.350 20 0 HCADRO COc1ncc(NC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1C(N)=O ZINC000462962897 1075572337 /nfs/dbraw/zinc/57/23/37/1075572337.db2.gz DBRCLMCWNSKVSF-CXAGYDPISA-N 1 0 411.462 0.764 20 0 HCADRO COc1ncc(NC(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1C(N)=O ZINC000462962898 1075572447 /nfs/dbraw/zinc/57/24/47/1075572447.db2.gz DBRCLMCWNSKVSF-DYVFJYSZSA-N 1 0 411.462 0.764 20 0 HCADRO COc1ncc(NC(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C(N)=O ZINC000462962899 1075572398 /nfs/dbraw/zinc/57/23/98/1075572398.db2.gz DBRCLMCWNSKVSF-GUYCJALGSA-N 1 0 411.462 0.764 20 0 HCADRO COc1ncc(NC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C(N)=O ZINC000462962901 1075572475 /nfs/dbraw/zinc/57/24/75/1075572475.db2.gz DBRCLMCWNSKVSF-SUMWQHHRSA-N 1 0 411.462 0.764 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(C(F)F)cc2)cn1 ZINC000462964250 1075566225 /nfs/dbraw/zinc/56/62/25/1075566225.db2.gz JAGBMANRUDFXRN-UHFFFAOYSA-N 1 0 422.436 0.753 20 0 HCADRO Cn1nc2c(cc1=O)CN(CC(=O)NCC1([NH+]3CCOCC3)CCCCC1)CC2 ZINC000462968844 1075568472 /nfs/dbraw/zinc/56/84/72/1075568472.db2.gz PNNMQXXGOHZUEC-UHFFFAOYSA-N 1 0 403.527 0.290 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CNC(=O)Cc2ccc(O)cc2)c1 ZINC000462995831 1075577116 /nfs/dbraw/zinc/57/71/16/1075577116.db2.gz WVRMSAFNEVWSOT-UHFFFAOYSA-N 1 0 412.490 0.659 20 0 HCADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CNC(=O)Cc2ccc(O)cc2)cc1 ZINC000462998174 1075575955 /nfs/dbraw/zinc/57/59/55/1075575955.db2.gz XZZCAFJUGUVFQP-UHFFFAOYSA-N 1 0 412.490 0.659 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000463007543 1075578045 /nfs/dbraw/zinc/57/80/45/1075578045.db2.gz FTCHLJJRYCOKHF-BPQIPLTHSA-N 1 0 422.551 0.500 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000463007545 1075577935 /nfs/dbraw/zinc/57/79/35/1075577935.db2.gz FTCHLJJRYCOKHF-KBAYOESNSA-N 1 0 422.551 0.500 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000463007546 1075577854 /nfs/dbraw/zinc/57/78/54/1075577854.db2.gz FTCHLJJRYCOKHF-NJAFHUGGSA-N 1 0 422.551 0.500 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000463007547 1075577967 /nfs/dbraw/zinc/57/79/67/1075577967.db2.gz FTCHLJJRYCOKHF-NXHRZFHOSA-N 1 0 422.551 0.500 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000463010434 1075578176 /nfs/dbraw/zinc/57/81/76/1075578176.db2.gz LFSLNFLTKJSAPK-APWZRJJASA-N 1 0 413.522 0.639 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000463010435 1075578355 /nfs/dbraw/zinc/57/83/55/1075578355.db2.gz LFSLNFLTKJSAPK-LPHOPBHVSA-N 1 0 413.522 0.639 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000463010436 1075578415 /nfs/dbraw/zinc/57/84/15/1075578415.db2.gz LFSLNFLTKJSAPK-QFBILLFUSA-N 1 0 413.522 0.639 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000463010437 1075578284 /nfs/dbraw/zinc/57/82/84/1075578284.db2.gz LFSLNFLTKJSAPK-VQIMIIECSA-N 1 0 413.522 0.639 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000463017168 1075579834 /nfs/dbraw/zinc/57/98/34/1075579834.db2.gz XJHXOHOTKOLGSH-HKUYNNGSSA-N 1 0 415.538 0.885 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000463017169 1075579732 /nfs/dbraw/zinc/57/97/32/1075579732.db2.gz XJHXOHOTKOLGSH-IEBWSBKVSA-N 1 0 415.538 0.885 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000463017170 1075580184 /nfs/dbraw/zinc/58/01/84/1075580184.db2.gz XJHXOHOTKOLGSH-MJGOQNOKSA-N 1 0 415.538 0.885 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000463017171 1075580352 /nfs/dbraw/zinc/58/03/52/1075580352.db2.gz XJHXOHOTKOLGSH-PKOBYXMFSA-N 1 0 415.538 0.885 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCNC(=O)[C@@H]2c2c(F)cccc2Cl)CC1=O ZINC000463048020 1075583112 /nfs/dbraw/zinc/58/31/12/1075583112.db2.gz IVURSPSCAJPKEA-PXAZEXFGSA-N 1 0 410.877 0.889 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2c(F)cccc2Cl)CC1=O ZINC000463048021 1075582930 /nfs/dbraw/zinc/58/29/30/1075582930.db2.gz IVURSPSCAJPKEA-SJCJKPOMSA-N 1 0 410.877 0.889 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCNC(=O)[C@H]2c2c(F)cccc2Cl)CC1=O ZINC000463048022 1075582847 /nfs/dbraw/zinc/58/28/47/1075582847.db2.gz IVURSPSCAJPKEA-SJKOYZFVSA-N 1 0 410.877 0.889 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCNC(=O)[C@H]2c2c(F)cccc2Cl)CC1=O ZINC000463048023 1075583362 /nfs/dbraw/zinc/58/33/62/1075583362.db2.gz IVURSPSCAJPKEA-YVEFUNNKSA-N 1 0 410.877 0.889 20 0 HCADRO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c(OC)c1 ZINC000463053709 1075584254 /nfs/dbraw/zinc/58/42/54/1075584254.db2.gz JUNSOZJGWCWFPY-HNNXBMFYSA-N 1 0 403.435 0.374 20 0 HCADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c(OC)c1 ZINC000463053711 1075584158 /nfs/dbraw/zinc/58/41/58/1075584158.db2.gz JUNSOZJGWCWFPY-OAHLLOKOSA-N 1 0 403.435 0.374 20 0 HCADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000463061529 1075585974 /nfs/dbraw/zinc/58/59/74/1075585974.db2.gz IFUVBOLAJNKCNF-DLBZAZTESA-N 1 0 404.577 0.943 20 0 HCADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000463061530 1075585948 /nfs/dbraw/zinc/58/59/48/1075585948.db2.gz IFUVBOLAJNKCNF-IRXDYDNUSA-N 1 0 404.577 0.943 20 0 HCADRO CN(C)S(=O)(=O)CCNC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000463062378 1075585660 /nfs/dbraw/zinc/58/56/60/1075585660.db2.gz PKSUMMWIEUMKBO-UHFFFAOYSA-N 1 0 411.572 0.337 20 0 HCADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)c1 ZINC000463073788 1075589395 /nfs/dbraw/zinc/58/93/95/1075589395.db2.gz YCRFBRZHPMQCQC-UHFFFAOYSA-N 1 0 413.540 0.732 20 0 HCADRO O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000463075014 1075589952 /nfs/dbraw/zinc/58/99/52/1075589952.db2.gz LLZPIZXBMHSCGD-UHFFFAOYSA-N 1 0 411.524 0.486 20 0 HCADRO O=c1[nH]c2ccc(S(=O)(=O)N3CCN(CC[N@@H+]4CCCOCC4)CC3)cc2[nH]1 ZINC000463075591 1075589913 /nfs/dbraw/zinc/58/99/13/1075589913.db2.gz AZKBLCYKFBGFPJ-UHFFFAOYSA-N 1 0 409.512 0.297 20 0 HCADRO COC(=O)c1csc(S(=O)(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)c1 ZINC000463079027 1075590487 /nfs/dbraw/zinc/59/04/87/1075590487.db2.gz VVKABTXSELNKNS-UHFFFAOYSA-N 1 0 417.553 0.563 20 0 HCADRO Nc1c(N(CCO)CC[N@@H+]2CCCOCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000463099276 1075604337 /nfs/dbraw/zinc/60/43/37/1075604337.db2.gz PYXXIESEVXEMDL-UHFFFAOYSA-N 1 0 403.483 0.100 20 0 HCADRO COCCn1c(N)c(N(CC[N@@H+]2CCCOCC2)Cc2ccccc2)c(=O)[nH]c1=O ZINC000463100745 1075605802 /nfs/dbraw/zinc/60/58/02/1075605802.db2.gz YCOKSXUSSSYNJZ-UHFFFAOYSA-N 1 0 417.510 0.906 20 0 HCADRO COCCN(CC[N@@H+]1CCCOCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000463103848 1075606950 /nfs/dbraw/zinc/60/69/50/1075606950.db2.gz JCHYQTCOSOREAM-UHFFFAOYSA-N 1 0 417.510 0.755 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCN2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000463106788 1075599378 /nfs/dbraw/zinc/59/93/78/1075599378.db2.gz KOIZRSWGQBBEHV-UHFFFAOYSA-N 1 0 410.584 0.613 20 0 HCADRO O=C1COc2ccc(S(=O)(=O)N3CCN(CC[N@@H+]4CCCOCC4)CC3)cc2N1 ZINC000463107382 1075598696 /nfs/dbraw/zinc/59/86/96/1075598696.db2.gz MFMFXFSPLFJYOU-UHFFFAOYSA-N 1 0 424.523 0.046 20 0 HCADRO CC[NH+]1CCN(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000463116326 1075614094 /nfs/dbraw/zinc/61/40/94/1075614094.db2.gz CFAABJRTFGIOQK-FQEVSTJZSA-N 1 0 402.539 0.600 20 0 HCADRO CC[NH+]1CCN(CCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000463116327 1075614036 /nfs/dbraw/zinc/61/40/36/1075614036.db2.gz CFAABJRTFGIOQK-HXUWFJFHSA-N 1 0 402.539 0.600 20 0 HCADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000463117232 1075614387 /nfs/dbraw/zinc/61/43/87/1075614387.db2.gz SDAVCJIRWPQTIT-UHFFFAOYSA-N 1 0 416.503 0.735 20 0 HCADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)nc2)CC1 ZINC000463125392 1075608812 /nfs/dbraw/zinc/60/88/12/1075608812.db2.gz WALXBAOSBAGZHG-UHFFFAOYSA-N 1 0 417.491 0.345 20 0 HCADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000463127058 1075611369 /nfs/dbraw/zinc/61/13/69/1075611369.db2.gz LYNNPRCLKAAYJE-UHFFFAOYSA-N 1 0 416.503 0.735 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2C[NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC000463134322 1081262859 /nfs/dbraw/zinc/26/28/59/1081262859.db2.gz IOHJXIPBTRAMAB-UHFFFAOYSA-N 1 0 401.554 0.290 20 0 HCADRO Cc1cc(N2CCC[C@H](N3CCN(CC[N@@H+]4CCCOCC4)CC3)C2=O)n(C)n1 ZINC000463153305 1075631377 /nfs/dbraw/zinc/63/13/77/1075631377.db2.gz MKYLKBVBAXXDHX-IBGZPJMESA-N 1 0 404.559 0.564 20 0 HCADRO Cc1cc(N2CCC[C@@H](N3CCN(CC[N@@H+]4CCCOCC4)CC3)C2=O)n(C)n1 ZINC000463153306 1075631309 /nfs/dbraw/zinc/63/13/09/1075631309.db2.gz MKYLKBVBAXXDHX-LJQANCHMSA-N 1 0 404.559 0.564 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 ZINC000463154159 1075631455 /nfs/dbraw/zinc/63/14/55/1075631455.db2.gz CQISIMWGIIERBC-UHFFFAOYSA-N 1 0 408.522 0.883 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463159209 1075628055 /nfs/dbraw/zinc/62/80/55/1075628055.db2.gz YHSJMRFDQUNVNH-FQEVSTJZSA-N 1 0 418.538 0.868 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463159211 1075628019 /nfs/dbraw/zinc/62/80/19/1075628019.db2.gz YHSJMRFDQUNVNH-HXUWFJFHSA-N 1 0 418.538 0.868 20 0 HCADRO NC(=O)Cn1cc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)nn1 ZINC000463160106 1075628409 /nfs/dbraw/zinc/62/84/09/1075628409.db2.gz HXTQSGBWIHZZOV-UHFFFAOYSA-N 1 0 420.477 0.733 20 0 HCADRO COCC[NH+]1CCC(N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000463164302 1075629553 /nfs/dbraw/zinc/62/95/53/1075629553.db2.gz VEENPAIHIGSXAS-HNNXBMFYSA-N 1 0 412.556 0.964 20 0 HCADRO COCC[NH+]1CCC(N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000463164307 1075629612 /nfs/dbraw/zinc/62/96/12/1075629612.db2.gz VEENPAIHIGSXAS-OAHLLOKOSA-N 1 0 412.556 0.964 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000463176775 1075632874 /nfs/dbraw/zinc/63/28/74/1075632874.db2.gz GMKWDMTWPTUKJM-KBXCAEBGSA-N 1 0 416.503 0.909 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000463176776 1075632800 /nfs/dbraw/zinc/63/28/00/1075632800.db2.gz GMKWDMTWPTUKJM-KDOFPFPSSA-N 1 0 416.503 0.909 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000463176777 1075632929 /nfs/dbraw/zinc/63/29/29/1075632929.db2.gz GMKWDMTWPTUKJM-KSSFIOAISA-N 1 0 416.503 0.909 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000463176778 1075632896 /nfs/dbraw/zinc/63/28/96/1075632896.db2.gz GMKWDMTWPTUKJM-RDTXWAMCSA-N 1 0 416.503 0.909 20 0 HCADRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000463190056 1075637270 /nfs/dbraw/zinc/63/72/70/1075637270.db2.gz DRIJVSKHAAKXGL-FYQPLNBISA-N 1 0 408.587 0.870 20 0 HCADRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000463190057 1075637197 /nfs/dbraw/zinc/63/71/97/1075637197.db2.gz DRIJVSKHAAKXGL-WCIQWLHISA-N 1 0 408.587 0.870 20 0 HCADRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000463190058 1075637259 /nfs/dbraw/zinc/63/72/59/1075637259.db2.gz DRIJVSKHAAKXGL-WTGUMLROSA-N 1 0 408.587 0.870 20 0 HCADRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000463190059 1075637123 /nfs/dbraw/zinc/63/71/23/1075637123.db2.gz DRIJVSKHAAKXGL-ZRNYENFQSA-N 1 0 408.587 0.870 20 0 HCADRO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(OCCOCCOC)cc2)CC1 ZINC000463190448 1075637159 /nfs/dbraw/zinc/63/71/59/1075637159.db2.gz DUAGFPHUROAZGT-UHFFFAOYSA-N 1 0 401.529 0.747 20 0 HCADRO CS(=O)(=O)NCCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000463196175 1075640800 /nfs/dbraw/zinc/64/08/00/1075640800.db2.gz JOPWCOPBZSYVOC-UHFFFAOYSA-N 1 0 408.568 0.912 20 0 HCADRO CNS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000463197321 1075641221 /nfs/dbraw/zinc/64/12/21/1075641221.db2.gz QAQPSWXMKMFWNM-UHFFFAOYSA-N 1 0 423.539 0.660 20 0 HCADRO CS(=O)(=O)NCCN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000463197401 1075641239 /nfs/dbraw/zinc/64/12/39/1075641239.db2.gz AIFBIPJEGLWJCX-UHFFFAOYSA-N 1 0 416.588 0.151 20 0 HCADRO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCC(NS(=O)(=O)NC)CC2)c(OC)c1 ZINC000463198150 1075641720 /nfs/dbraw/zinc/64/17/20/1075641720.db2.gz ULOGAJMLMBGOGS-BDUNBXCCSA-N 1 0 413.540 0.986 20 0 HCADRO C/C=C\c1ccc(OC[C@@H](O)C[NH+]2CCC(NS(=O)(=O)NC)CC2)c(OC)c1 ZINC000463198151 1075641648 /nfs/dbraw/zinc/64/16/48/1075641648.db2.gz ULOGAJMLMBGOGS-CHYADLBTSA-N 1 0 413.540 0.986 20 0 HCADRO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCC(NS(=O)(=O)NC)CC2)c(OC)c1 ZINC000463198152 1075641583 /nfs/dbraw/zinc/64/15/83/1075641583.db2.gz ULOGAJMLMBGOGS-LAQIPUCWSA-N 1 0 413.540 0.986 20 0 HCADRO C/C=C\c1ccc(OC[C@H](O)C[NH+]2CCC(NS(=O)(=O)NC)CC2)c(OC)c1 ZINC000463198153 1075641691 /nfs/dbraw/zinc/64/16/91/1075641691.db2.gz ULOGAJMLMBGOGS-VGOKWCNXSA-N 1 0 413.540 0.986 20 0 HCADRO COCC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000463200699 1075655752 /nfs/dbraw/zinc/65/57/52/1075655752.db2.gz JVQBSFXPWKELJU-FQEVSTJZSA-N 1 0 418.538 0.867 20 0 HCADRO COCC[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000463200701 1075655673 /nfs/dbraw/zinc/65/56/73/1075655673.db2.gz JVQBSFXPWKELJU-HXUWFJFHSA-N 1 0 418.538 0.867 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463200910 1075655177 /nfs/dbraw/zinc/65/51/77/1075655177.db2.gz HPKPLYRYGZEEBN-MOPGFXCFSA-N 1 0 403.527 0.002 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463200912 1075655347 /nfs/dbraw/zinc/65/53/47/1075655347.db2.gz HPKPLYRYGZEEBN-OALUTQOASA-N 1 0 403.527 0.002 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463200914 1075655280 /nfs/dbraw/zinc/65/52/80/1075655280.db2.gz HPKPLYRYGZEEBN-RBUKOAKNSA-N 1 0 403.527 0.002 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463200916 1075655301 /nfs/dbraw/zinc/65/53/01/1075655301.db2.gz HPKPLYRYGZEEBN-RTBURBONSA-N 1 0 403.527 0.002 20 0 HCADRO CS(=O)(=O)NCC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C1CC1 ZINC000463202054 1075656068 /nfs/dbraw/zinc/65/60/68/1075656068.db2.gz NFZLASSJGUGWRM-UHFFFAOYSA-N 1 0 402.904 0.781 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)N2C[C@@H](O)C[C@@H]2CO)c1)C1CCOCC1 ZINC000463202895 1075646014 /nfs/dbraw/zinc/64/60/14/1075646014.db2.gz ORHWCASIAXUIOJ-MOPGFXCFSA-N 1 0 407.511 0.813 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)N2C[C@@H](O)C[C@H]2CO)c1)C1CCOCC1 ZINC000463202896 1075646062 /nfs/dbraw/zinc/64/60/62/1075646062.db2.gz ORHWCASIAXUIOJ-OALUTQOASA-N 1 0 407.511 0.813 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)N2C[C@H](O)C[C@H]2CO)c1)C1CCOCC1 ZINC000463202897 1075646132 /nfs/dbraw/zinc/64/61/32/1075646132.db2.gz ORHWCASIAXUIOJ-RBUKOAKNSA-N 1 0 407.511 0.813 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)N2C[C@H](O)C[C@@H]2CO)c1)C1CCOCC1 ZINC000463202898 1075645972 /nfs/dbraw/zinc/64/59/72/1075645972.db2.gz ORHWCASIAXUIOJ-RTBURBONSA-N 1 0 407.511 0.813 20 0 HCADRO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000463203016 1075656506 /nfs/dbraw/zinc/65/65/06/1075656506.db2.gz IUNKVOUULHHFCJ-AWEZNQCLSA-N 1 0 411.446 0.963 20 0 HCADRO CNS(=O)(=O)NC1CC[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000463203020 1075656959 /nfs/dbraw/zinc/65/69/59/1075656959.db2.gz IUNKVOUULHHFCJ-CQSZACIVSA-N 1 0 411.446 0.963 20 0 HCADRO CCOC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(NS(=O)(=O)NC)CC2)c1 ZINC000463203760 1075647187 /nfs/dbraw/zinc/64/71/87/1075647187.db2.gz QUDHMVHXTCMKOW-INIZCTEOSA-N 1 0 415.512 0.121 20 0 HCADRO CCOC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(NS(=O)(=O)NC)CC2)c1 ZINC000463203761 1075647263 /nfs/dbraw/zinc/64/72/63/1075647263.db2.gz QUDHMVHXTCMKOW-MRXNPFEDSA-N 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CATARARNYSPOIX-ZDUSSCGKSA-N 1 0 402.517 0.481 20 0 HCADRO CC[N@@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C[C@H](C)OC ZINC000463427663 1075736568 /nfs/dbraw/zinc/73/65/68/1075736568.db2.gz GTYKEVVPJQZHGO-INIZCTEOSA-N 1 0 413.540 0.681 20 0 HCADRO CC[N@@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C[C@@H](C)OC ZINC000463427664 1075736608 /nfs/dbraw/zinc/73/66/08/1075736608.db2.gz GTYKEVVPJQZHGO-MRXNPFEDSA-N 1 0 413.540 0.681 20 0 HCADRO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C[C@H](C)OC ZINC000463429389 1075738093 /nfs/dbraw/zinc/73/80/93/1075738093.db2.gz JBNSPIPXEMEEHD-INIZCTEOSA-N 1 0 413.540 0.885 20 0 HCADRO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C[C@@H](C)OC ZINC000463429390 1075738135 /nfs/dbraw/zinc/73/81/35/1075738135.db2.gz JBNSPIPXEMEEHD-MRXNPFEDSA-N 1 0 413.540 0.885 20 0 HCADRO COc1ccc(CN2CC[C@@H](NS(=O)(=O)CCCN3CCOCC3)C2=O)cc1 ZINC000463429686 1075737787 /nfs/dbraw/zinc/73/77/87/1075737787.db2.gz QTBKFGGUMDKUHB-GOSISDBHSA-N 1 0 411.524 0.438 20 0 HCADRO COc1ccc(CN2CC[C@H](NS(=O)(=O)CCCN3CCOCC3)C2=O)cc1 ZINC000463429687 1075737821 /nfs/dbraw/zinc/73/78/21/1075737821.db2.gz QTBKFGGUMDKUHB-SFHVURJKSA-N 1 0 411.524 0.438 20 0 HCADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000463431172 1075738966 /nfs/dbraw/zinc/73/89/66/1075738966.db2.gz YYAFWESRCHVSBN-FHERZECASA-N 1 0 400.545 0.338 20 0 HCADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000463431174 1075739095 /nfs/dbraw/zinc/73/90/95/1075739095.db2.gz YYAFWESRCHVSBN-QQFBHYJXSA-N 1 0 400.545 0.338 20 0 HCADRO O=C(C[N@@H+]1CC[C@H](n2cccn2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000463431674 1075738934 /nfs/dbraw/zinc/73/89/34/1075738934.db2.gz RMCHXGDAIRJOKX-INIZCTEOSA-N 1 0 421.498 0.802 20 0 HCADRO O=C(C[N@@H+]1CC[C@@H](n2cccn2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000463431675 1075739054 /nfs/dbraw/zinc/73/90/54/1075739054.db2.gz RMCHXGDAIRJOKX-MRXNPFEDSA-N 1 0 421.498 0.802 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC000463432621 1075738870 /nfs/dbraw/zinc/73/88/70/1075738870.db2.gz VHJJYFHTWFZMNK-HSZRJFAPSA-N 1 0 416.566 0.536 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)CC1 ZINC000463432632 1075738854 /nfs/dbraw/zinc/73/88/54/1075738854.db2.gz VHJJYFHTWFZMNK-QHCPKHFHSA-N 1 0 416.566 0.536 20 0 HCADRO CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000463434037 1075739703 /nfs/dbraw/zinc/73/97/03/1075739703.db2.gz LSMKTMFIPQZKIG-INIZCTEOSA-N 1 0 411.572 0.686 20 0 HCADRO CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000463434038 1075739881 /nfs/dbraw/zinc/73/98/81/1075739881.db2.gz LSMKTMFIPQZKIG-MRXNPFEDSA-N 1 0 411.572 0.686 20 0 HCADRO O=C(C[N@@H+]1CC[C@H](n2cccn2)C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000463434420 1075739834 /nfs/dbraw/zinc/73/98/34/1075739834.db2.gz HFATVLXLTWQEJZ-KRWDZBQOSA-N 1 0 421.498 0.802 20 0 HCADRO O=C(C[N@@H+]1CC[C@@H](n2cccn2)C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000463434421 1075739629 /nfs/dbraw/zinc/73/96/29/1075739629.db2.gz HFATVLXLTWQEJZ-QGZVFWFLSA-N 1 0 421.498 0.802 20 0 HCADRO CN(CCCNC(=O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)S(C)(=O)=O ZINC000463434748 1075739767 /nfs/dbraw/zinc/73/97/67/1075739767.db2.gz OVXNKZQBUXUNGJ-FQEVSTJZSA-N 1 0 411.568 0.701 20 0 HCADRO CN(CCCNC(=O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)S(C)(=O)=O ZINC000463434749 1075739865 /nfs/dbraw/zinc/73/98/65/1075739865.db2.gz OVXNKZQBUXUNGJ-HXUWFJFHSA-N 1 0 411.568 0.701 20 0 HCADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H]1CCOC1 ZINC000463435783 1075740145 /nfs/dbraw/zinc/74/01/45/1075740145.db2.gz JZTNGVCEKACXJQ-AWEZNQCLSA-N 1 0 417.478 0.909 20 0 HCADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H]1CCOC1 ZINC000463435784 1075740153 /nfs/dbraw/zinc/74/01/53/1075740153.db2.gz JZTNGVCEKACXJQ-CQSZACIVSA-N 1 0 417.478 0.909 20 0 HCADRO CC[N@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCOC1 ZINC000463438259 1075741965 /nfs/dbraw/zinc/74/19/65/1075741965.db2.gz 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CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)CC1 ZINC000463444916 1075743663 /nfs/dbraw/zinc/74/36/63/1075743663.db2.gz TVFLTBSYQQSTSR-QHCPKHFHSA-N 1 0 416.566 0.681 20 0 HCADRO CC[N@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCOC1 ZINC000463446397 1075744340 /nfs/dbraw/zinc/74/43/40/1075744340.db2.gz SASDEXHTPNSCPV-KRWDZBQOSA-N 1 0 411.524 0.435 20 0 HCADRO CC[N@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCOC1 ZINC000463446400 1075744376 /nfs/dbraw/zinc/74/43/76/1075744376.db2.gz SASDEXHTPNSCPV-QGZVFWFLSA-N 1 0 411.524 0.435 20 0 HCADRO Cn1c2ncn(CC[N@@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000463447292 1075745009 /nfs/dbraw/zinc/74/50/09/1075745009.db2.gz INWHZOCGMDUFOY-JOCHJYFZSA-N 1 0 411.506 0.751 20 0 HCADRO Cn1c2ncn(CC[N@@H+]3CCC[C@](CO)(Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000463447293 1075745122 /nfs/dbraw/zinc/74/51/22/1075745122.db2.gz INWHZOCGMDUFOY-QFIPXVFZSA-N 1 0 411.506 0.751 20 0 HCADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@@H]1CCOC1 ZINC000463449973 1075746202 /nfs/dbraw/zinc/74/62/02/1075746202.db2.gz AXITXYKSEJAIEC-GOSISDBHSA-N 1 0 423.535 0.833 20 0 HCADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@H]1CCOC1 ZINC000463449974 1075746206 /nfs/dbraw/zinc/74/62/06/1075746206.db2.gz AXITXYKSEJAIEC-SFHVURJKSA-N 1 0 423.535 0.833 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000463450525 1075746226 /nfs/dbraw/zinc/74/62/26/1075746226.db2.gz LXLCGDFPBBYSMY-INIZCTEOSA-N 1 0 422.511 0.268 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000463450526 1075746198 /nfs/dbraw/zinc/74/61/98/1075746198.db2.gz LXLCGDFPBBYSMY-MRXNPFEDSA-N 1 0 422.511 0.268 20 0 HCADRO CC[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@@H]1CCOC1 ZINC000463456409 1075747755 /nfs/dbraw/zinc/74/77/55/1075747755.db2.gz ZZFWBKJYFZWDPO-APWZRJJASA-N 1 0 403.479 0.608 20 0 HCADRO CC[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@H]1CCOC1 ZINC000463456410 1075747712 /nfs/dbraw/zinc/74/77/12/1075747712.db2.gz ZZFWBKJYFZWDPO-LPHOPBHVSA-N 1 0 403.479 0.608 20 0 HCADRO CC[N@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@H]1CCOC1 ZINC000463456411 1075747580 /nfs/dbraw/zinc/74/75/80/1075747580.db2.gz ZZFWBKJYFZWDPO-QFBILLFUSA-N 1 0 403.479 0.608 20 0 HCADRO CC[N@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@@H]1CCOC1 ZINC000463456412 1075747635 /nfs/dbraw/zinc/74/76/35/1075747635.db2.gz ZZFWBKJYFZWDPO-VQIMIIECSA-N 1 0 403.479 0.608 20 0 HCADRO CC(C)(C)C(=O)Nc1nccnc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000463477264 1075750935 /nfs/dbraw/zinc/75/09/35/1075750935.db2.gz GEDIXMWFZNGFNT-UHFFFAOYSA-N 1 0 402.499 0.841 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 ZINC000463478030 1075754892 /nfs/dbraw/zinc/75/48/92/1075754892.db2.gz LJABCPPLZVYLLA-NRFANRHFSA-N 1 0 418.513 0.966 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1 ZINC000463478031 1075754806 /nfs/dbraw/zinc/75/48/06/1075754806.db2.gz LJABCPPLZVYLLA-OAQYLSRUSA-N 1 0 418.513 0.966 20 0 HCADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000463478874 1075751080 /nfs/dbraw/zinc/75/10/80/1075751080.db2.gz NUFDYZXHFISTBS-AWEZNQCLSA-N 1 0 420.601 0.149 20 0 HCADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000463478876 1075750912 /nfs/dbraw/zinc/75/09/12/1075750912.db2.gz NUFDYZXHFISTBS-CQSZACIVSA-N 1 0 420.601 0.149 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1 ZINC000463478943 1075755094 /nfs/dbraw/zinc/75/50/94/1075755094.db2.gz OFOLUTOICHLOGX-UHFFFAOYSA-N 1 0 419.503 0.816 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 ZINC000463494774 1075754315 /nfs/dbraw/zinc/75/43/15/1075754315.db2.gz AWNAUKUAVABBAC-UHFFFAOYSA-N 1 0 419.503 0.816 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)c2cn(CC(N)=O)nn2)c1)C1CCOCC1 ZINC000463503028 1075759124 /nfs/dbraw/zinc/75/91/24/1075759124.db2.gz FOQDNBJAIJBNQA-UHFFFAOYSA-N 1 0 416.482 0.183 20 0 HCADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cn(CC(N)=O)nn1 ZINC000463526607 1075763167 /nfs/dbraw/zinc/76/31/67/1075763167.db2.gz NAUXTSHRXQWWNM-UHFFFAOYSA-N 1 0 409.288 0.730 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 ZINC000463541345 1075766078 /nfs/dbraw/zinc/76/60/78/1075766078.db2.gz ILSPPFUIMMPWFQ-APWZRJJASA-N 1 0 406.502 0.903 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 ZINC000463541346 1075766123 /nfs/dbraw/zinc/76/61/23/1075766123.db2.gz ILSPPFUIMMPWFQ-LPHOPBHVSA-N 1 0 406.502 0.903 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1 ZINC000463541347 1075766012 /nfs/dbraw/zinc/76/60/12/1075766012.db2.gz ILSPPFUIMMPWFQ-QFBILLFUSA-N 1 0 406.502 0.903 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1 ZINC000463541349 1075765917 /nfs/dbraw/zinc/76/59/17/1075765917.db2.gz ILSPPFUIMMPWFQ-VQIMIIECSA-N 1 0 406.502 0.903 20 0 HCADRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc(NC(C)=O)c1OC ZINC000463542006 1075766023 /nfs/dbraw/zinc/76/60/23/1075766023.db2.gz ILLYWUUZKVPGQC-AWEZNQCLSA-N 1 0 406.483 0.979 20 0 HCADRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc(NC(C)=O)c1OC ZINC000463542007 1075766100 /nfs/dbraw/zinc/76/61/00/1075766100.db2.gz ILLYWUUZKVPGQC-CQSZACIVSA-N 1 0 406.483 0.979 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000463550178 1075769737 /nfs/dbraw/zinc/76/97/37/1075769737.db2.gz GOERZCAEPDTEQI-INIZCTEOSA-N 1 0 417.485 0.881 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000463550179 1075769813 /nfs/dbraw/zinc/76/98/13/1075769813.db2.gz GOERZCAEPDTEQI-MRXNPFEDSA-N 1 0 417.485 0.881 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cn(Cc3ccccn3)nn2)c1 ZINC000463559750 1075767900 /nfs/dbraw/zinc/76/79/00/1075767900.db2.gz ZCECZRFUBUKKCX-UHFFFAOYSA-N 1 0 407.478 0.943 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463570879 1075772678 /nfs/dbraw/zinc/77/26/78/1075772678.db2.gz YDTOBXIHADDYMI-UHFFFAOYSA-N 1 0 419.503 0.816 20 0 HCADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000463575784 1075771044 /nfs/dbraw/zinc/77/10/44/1075771044.db2.gz FNQYCDYNBGTMKP-UHFFFAOYSA-N 1 0 423.535 0.520 20 0 HCADRO CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000463600934 1075774600 /nfs/dbraw/zinc/77/46/00/1075774600.db2.gz RHCUDDROQQWNKP-CVEARBPZSA-N 1 0 422.530 0.208 20 0 HCADRO CC(C)O[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000463600935 1075774528 /nfs/dbraw/zinc/77/45/28/1075774528.db2.gz RHCUDDROQQWNKP-HOTGVXAUSA-N 1 0 422.530 0.208 20 0 HCADRO CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000463600936 1075774506 /nfs/dbraw/zinc/77/45/06/1075774506.db2.gz RHCUDDROQQWNKP-HZPDHXFCSA-N 1 0 422.530 0.208 20 0 HCADRO CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000463600937 1075774581 /nfs/dbraw/zinc/77/45/81/1075774581.db2.gz RHCUDDROQQWNKP-JKSUJKDBSA-N 1 0 422.530 0.208 20 0 HCADRO O=C(CCNC(=O)c1cn(Cc2ccccn2)nn1)N1CCN(c2ccccn2)CC1 ZINC000463618854 1075777588 /nfs/dbraw/zinc/77/75/88/1075777588.db2.gz BEHPSVRBUYZWTQ-UHFFFAOYSA-N 1 0 420.477 0.585 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)c2)nn1 ZINC000463621317 1075778812 /nfs/dbraw/zinc/77/88/12/1075778812.db2.gz DZVDWMXVDWFFRX-UHFFFAOYSA-N 1 0 402.455 0.839 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC3CC[NH+](C(C)C)CC3)c2)nn1 ZINC000463627401 1075780668 /nfs/dbraw/zinc/78/06/68/1075780668.db2.gz BXJWESXRBNVCBB-UHFFFAOYSA-N 1 0 414.466 0.981 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@@H+]3CCC[C@H](C)C3)c2)nn1 ZINC000463627413 1075780786 /nfs/dbraw/zinc/78/07/86/1075780786.db2.gz CBQUBVHXBJNBNL-AWEZNQCLSA-N 1 0 414.466 0.841 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)c2)nn1 ZINC000463627414 1075780730 /nfs/dbraw/zinc/78/07/30/1075780730.db2.gz CBQUBVHXBJNBNL-CQSZACIVSA-N 1 0 414.466 0.841 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463627432 1075781005 /nfs/dbraw/zinc/78/10/05/1075781005.db2.gz CKJOKUIHBHYMOE-INIZCTEOSA-N 1 0 401.511 0.405 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463627433 1075781106 /nfs/dbraw/zinc/78/11/06/1075781106.db2.gz CKJOKUIHBHYMOE-MRXNPFEDSA-N 1 0 401.511 0.405 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[NH+]3CCCCCC3)c2)nn1 ZINC000463627467 1075780972 /nfs/dbraw/zinc/78/09/72/1075780972.db2.gz CZTKSLUIEKVOGB-UHFFFAOYSA-N 1 0 414.466 0.985 20 0 HCADRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463627920 1075780821 /nfs/dbraw/zinc/78/08/21/1075780821.db2.gz DSGCIGOPMNKPPX-UHFFFAOYSA-N 1 0 401.511 0.549 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)c2)nn1 ZINC000463629209 1075781697 /nfs/dbraw/zinc/78/16/97/1075781697.db2.gz IHFNLFSVPIMOJB-UHFFFAOYSA-N 1 0 412.450 0.735 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000463630165 1075782334 /nfs/dbraw/zinc/78/23/34/1075782334.db2.gz RLFHDLXLHMWRHO-DLBZAZTESA-N 1 0 415.538 0.794 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000463630166 1075782398 /nfs/dbraw/zinc/78/23/98/1075782398.db2.gz RLFHDLXLHMWRHO-IAGOWNOFSA-N 1 0 415.538 0.794 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000463630167 1075782292 /nfs/dbraw/zinc/78/22/92/1075782292.db2.gz RLFHDLXLHMWRHO-IRXDYDNUSA-N 1 0 415.538 0.794 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000463630168 1075782376 /nfs/dbraw/zinc/78/23/76/1075782376.db2.gz RLFHDLXLHMWRHO-SJORKVTESA-N 1 0 415.538 0.794 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463630577 1075782041 /nfs/dbraw/zinc/78/20/41/1075782041.db2.gz SWGZELUFEPVWBY-UHFFFAOYSA-N 1 0 401.511 0.405 20 0 HCADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cc1 ZINC000463630683 1075782052 /nfs/dbraw/zinc/78/20/52/1075782052.db2.gz OQYNHZNJCHNNOJ-UHFFFAOYSA-N 1 0 423.517 0.935 20 0 HCADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463630686 1075782086 /nfs/dbraw/zinc/78/20/86/1075782086.db2.gz OSZUHXDKHDMBOG-UHFFFAOYSA-N 1 0 401.511 0.546 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[NH+]3CCC(C)CC3)c2)nn1 ZINC000463630787 1075781987 /nfs/dbraw/zinc/78/19/87/1075781987.db2.gz UUACZXHFHNEPLJ-UHFFFAOYSA-N 1 0 414.466 0.841 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463630957 1075781676 /nfs/dbraw/zinc/78/16/76/1075781676.db2.gz QJARGXNOPKOYAP-INIZCTEOSA-N 1 0 401.511 0.548 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463630958 1075781824 /nfs/dbraw/zinc/78/18/24/1075781824.db2.gz QJARGXNOPKOYAP-MRXNPFEDSA-N 1 0 401.511 0.548 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2)nn1 ZINC000463632587 1075782980 /nfs/dbraw/zinc/78/29/80/1075782980.db2.gz YZFHRPKKWAMEHR-AWEZNQCLSA-N 1 0 414.466 0.983 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@@H+]3CCCC[C@H]3C)c2)nn1 ZINC000463632590 1075783011 /nfs/dbraw/zinc/78/30/11/1075783011.db2.gz YZFHRPKKWAMEHR-CQSZACIVSA-N 1 0 414.466 0.983 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H](C)C[NH+]3CCCCC3)c2)nn1 ZINC000463633083 1075782828 /nfs/dbraw/zinc/78/28/28/1075782828.db2.gz BRQULNHQJIOSBO-AWEZNQCLSA-N 1 0 414.466 0.983 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H](C)C[NH+]3CCCCC3)c2)nn1 ZINC000463633084 1075782866 /nfs/dbraw/zinc/78/28/66/1075782866.db2.gz BRQULNHQJIOSBO-CQSZACIVSA-N 1 0 414.466 0.983 20 0 HCADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463634260 1075783573 /nfs/dbraw/zinc/78/35/73/1075783573.db2.gz AAOSUKVXRMHYIP-UHFFFAOYSA-N 1 0 401.511 0.549 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCC[NH+]3CCCC3)c2)nn1 ZINC000463634268 1075783584 /nfs/dbraw/zinc/78/35/84/1075783584.db2.gz ADCQLLMPFAQTHB-UHFFFAOYSA-N 1 0 400.439 0.595 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463634684 1075783220 /nfs/dbraw/zinc/78/32/20/1075783220.db2.gz CYJALNYVUNSIQS-INIZCTEOSA-N 1 0 401.511 0.548 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463634685 1075783307 /nfs/dbraw/zinc/78/33/07/1075783307.db2.gz CYJALNYVUNSIQS-MRXNPFEDSA-N 1 0 401.511 0.548 20 0 HCADRO CC(C)(CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[NH+]1CCCCC1 ZINC000463636041 1075783506 /nfs/dbraw/zinc/78/35/06/1075783506.db2.gz RNXHVCJQNHPISH-UHFFFAOYSA-N 1 0 415.538 0.938 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000463636477 1075783890 /nfs/dbraw/zinc/78/38/90/1075783890.db2.gz NLYQIPHGMUMDFA-UHFFFAOYSA-N 1 0 413.522 0.548 20 0 HCADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 ZINC000463636530 1075783816 /nfs/dbraw/zinc/78/38/16/1075783816.db2.gz OBHZXKPPKWOIFL-UHFFFAOYSA-N 1 0 423.517 0.935 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCC(C[NH+](C)C)CC3)c2)nn1 ZINC000463637103 1075784414 /nfs/dbraw/zinc/78/44/14/1075784414.db2.gz WEUAKMKONRKMSN-UHFFFAOYSA-N 1 0 414.466 0.793 20 0 HCADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C(C)C ZINC000463637159 1075784345 /nfs/dbraw/zinc/78/43/45/1075784345.db2.gz PTQMNDXLNXQFSB-UHFFFAOYSA-N 1 0 403.527 0.792 20 0 HCADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463637924 1075783868 /nfs/dbraw/zinc/78/38/68/1075783868.db2.gz YHJZNJRAMFBMJO-UHFFFAOYSA-N 1 0 401.511 0.357 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCC([NH+](C)C)CC3)c2)nn1 ZINC000463637938 1075783849 /nfs/dbraw/zinc/78/38/49/1075783849.db2.gz YMJNLFIYDUIQQR-UHFFFAOYSA-N 1 0 400.439 0.545 20 0 HCADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463637967 1075783831 /nfs/dbraw/zinc/78/38/31/1075783831.db2.gz GALODQHIPNFEDX-UHFFFAOYSA-N 1 0 415.538 0.795 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)c1ccccc1 ZINC000463638480 1075784690 /nfs/dbraw/zinc/78/46/90/1075784690.db2.gz WJKSKHKUEMAYAG-FQEVSTJZSA-N 1 0 423.517 0.976 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)c1ccccc1 ZINC000463638481 1075784748 /nfs/dbraw/zinc/78/47/48/1075784748.db2.gz WJKSKHKUEMAYAG-HXUWFJFHSA-N 1 0 423.517 0.976 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000463638563 1075784707 /nfs/dbraw/zinc/78/47/07/1075784707.db2.gz XCRWPCCEEVKSIC-UHFFFAOYSA-N 1 0 413.522 0.644 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCC[NH+]3CCCCC3)c2)nn1 ZINC000463638806 1075784683 /nfs/dbraw/zinc/78/46/83/1075784683.db2.gz ZJECGDRUYHFTEG-UHFFFAOYSA-N 1 0 414.466 0.985 20 0 HCADRO CC1(C)CC(NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC(C)(C)[NH2+]1 ZINC000463639676 1075785024 /nfs/dbraw/zinc/78/50/24/1075785024.db2.gz REIGRPMPKPFEQR-UHFFFAOYSA-N 1 0 415.538 0.982 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCNc3ccccn3)c2)nn1 ZINC000463639705 1075785074 /nfs/dbraw/zinc/78/50/74/1075785074.db2.gz RMPMXCHLQPXMQL-UHFFFAOYSA-N 1 0 409.406 0.616 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000463641417 1075789533 /nfs/dbraw/zinc/78/95/33/1075789533.db2.gz RTXOGXQLLPPVIF-UHFFFAOYSA-N 1 0 413.522 0.644 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)nn1 ZINC000463642538 1075789462 /nfs/dbraw/zinc/78/94/62/1075789462.db2.gz DYTXHZNRAJCGRK-CABCVRRESA-N 1 0 412.450 0.735 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)nn1 ZINC000463642539 1075789386 /nfs/dbraw/zinc/78/93/86/1075789386.db2.gz DYTXHZNRAJCGRK-GJZGRUSLSA-N 1 0 412.450 0.735 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000463642540 1075789432 /nfs/dbraw/zinc/78/94/32/1075789432.db2.gz DYTXHZNRAJCGRK-HUUCEWRRSA-N 1 0 412.450 0.735 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000463642541 1075789518 /nfs/dbraw/zinc/78/95/18/1075789518.db2.gz DYTXHZNRAJCGRK-LSDHHAIUSA-N 1 0 412.450 0.735 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CCCCC1 ZINC000463643556 1075785010 /nfs/dbraw/zinc/78/50/10/1075785010.db2.gz MNZSZMDBFMNVHK-UHFFFAOYSA-N 1 0 415.538 0.938 20 0 HCADRO CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)c1ccco1 ZINC000463644051 1075784928 /nfs/dbraw/zinc/78/49/28/1075784928.db2.gz BNGUIUSVEOFEOS-KRWDZBQOSA-N 1 0 413.478 0.569 20 0 HCADRO CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)c1ccco1 ZINC000463644052 1075784956 /nfs/dbraw/zinc/78/49/56/1075784956.db2.gz BNGUIUSVEOFEOS-QGZVFWFLSA-N 1 0 413.478 0.569 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000463644249 1075785553 /nfs/dbraw/zinc/78/55/53/1075785553.db2.gz OZSBJLFJBUXFOS-IBGZPJMESA-N 1 0 413.522 0.644 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000463644250 1075785591 /nfs/dbraw/zinc/78/55/91/1075785591.db2.gz OZSBJLFJBUXFOS-LJQANCHMSA-N 1 0 413.522 0.644 20 0 HCADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[NH+](C)C ZINC000463646369 1075785978 /nfs/dbraw/zinc/78/59/78/1075785978.db2.gz ZWSIGKNBOVBERV-GOSISDBHSA-N 1 0 403.527 0.649 20 0 HCADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[NH+](C)C ZINC000463646370 1075786011 /nfs/dbraw/zinc/78/60/11/1075786011.db2.gz ZWSIGKNBOVBERV-SFHVURJKSA-N 1 0 403.527 0.649 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)c2)nn1 ZINC000463649625 1075787036 /nfs/dbraw/zinc/78/70/36/1075787036.db2.gz OBVVESPENRBFPE-UHFFFAOYSA-N 1 0 400.439 0.595 20 0 HCADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463650193 1075787607 /nfs/dbraw/zinc/78/76/07/1075787607.db2.gz PVHLGVIURDISPD-UHFFFAOYSA-N 1 0 401.511 0.357 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)CC3CC[NH+](C)CC3)c2)nn1 ZINC000463650419 1075787176 /nfs/dbraw/zinc/78/71/76/1075787176.db2.gz QIRVKTLDVOJKSU-UHFFFAOYSA-N 1 0 414.466 0.793 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CCCC1 ZINC000463650728 1075787161 /nfs/dbraw/zinc/78/71/61/1075787161.db2.gz RZGSGHAVQCCROX-UHFFFAOYSA-N 1 0 401.511 0.548 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)c2)nn1 ZINC000463650829 1075787296 /nfs/dbraw/zinc/78/72/96/1075787296.db2.gz RZTBBOSPPGXHKG-CYBMUJFWSA-N 1 0 412.450 0.593 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)c2)nn1 ZINC000463650830 1075787270 /nfs/dbraw/zinc/78/72/70/1075787270.db2.gz RZTBBOSPPGXHKG-ZDUSSCGKSA-N 1 0 412.450 0.593 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000463651410 1075787654 /nfs/dbraw/zinc/78/76/54/1075787654.db2.gz UPJJROPJEDVNSS-DLBZAZTESA-N 1 0 415.538 0.936 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@@H+]1CCCC[C@H]1C ZINC000463651411 1075787598 /nfs/dbraw/zinc/78/75/98/1075787598.db2.gz UPJJROPJEDVNSS-IAGOWNOFSA-N 1 0 415.538 0.936 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000463651412 1075787551 /nfs/dbraw/zinc/78/75/51/1075787551.db2.gz UPJJROPJEDVNSS-IRXDYDNUSA-N 1 0 415.538 0.936 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@@H+]1CCCC[C@H]1C ZINC000463651413 1075787628 /nfs/dbraw/zinc/78/76/28/1075787628.db2.gz UPJJROPJEDVNSS-SJORKVTESA-N 1 0 415.538 0.936 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463652414 1075788223 /nfs/dbraw/zinc/78/82/23/1075788223.db2.gz YWYWKHPTZNQVLF-CYBMUJFWSA-N 1 0 402.455 0.839 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC3([NH+](C)C)CCCC3)c2)nn1 ZINC000463652441 1075788236 /nfs/dbraw/zinc/78/82/36/1075788236.db2.gz ZEJUROFIZNTSBZ-UHFFFAOYSA-N 1 0 414.466 0.983 20 0 HCADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463652876 1075788040 /nfs/dbraw/zinc/78/80/40/1075788040.db2.gz MDFCOKNLEJRNFE-CYBMUJFWSA-N 1 0 402.455 0.839 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463652877 1075787913 /nfs/dbraw/zinc/78/79/13/1075787913.db2.gz MDFCOKNLEJRNFE-ZDUSSCGKSA-N 1 0 402.455 0.839 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[NH+]1CCC(C)CC1 ZINC000463653088 1075787987 /nfs/dbraw/zinc/78/79/87/1075787987.db2.gz ANIFPMPBDMZVBI-KRWDZBQOSA-N 1 0 415.538 0.794 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[NH+]1CCC(C)CC1 ZINC000463653089 1075787943 /nfs/dbraw/zinc/78/79/43/1075787943.db2.gz ANIFPMPBDMZVBI-QGZVFWFLSA-N 1 0 415.538 0.794 20 0 HCADRO CCCN1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1 ZINC000463653425 1075788616 /nfs/dbraw/zinc/78/86/16/1075788616.db2.gz QCCWXQBCTXUEAB-UHFFFAOYSA-N 1 0 400.439 0.547 20 0 HCADRO Cc1nn(C)c2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)ccc12 ZINC000463654703 1075788631 /nfs/dbraw/zinc/78/86/31/1075788631.db2.gz HOWUBEYOSDWVEK-KRWDZBQOSA-N 1 0 414.510 0.879 20 0 HCADRO Cc1nn(C)c2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)ccc12 ZINC000463654704 1075788586 /nfs/dbraw/zinc/78/85/86/1075788586.db2.gz HOWUBEYOSDWVEK-QGZVFWFLSA-N 1 0 414.510 0.879 20 0 HCADRO Cc1nn(C)c2cc(NC(=O)C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)ccc12 ZINC000463655079 1075788525 /nfs/dbraw/zinc/78/85/25/1075788525.db2.gz JJKCTXKNOSVACR-UHFFFAOYSA-N 1 0 414.510 0.737 20 0 HCADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463656361 1075785332 /nfs/dbraw/zinc/78/53/32/1075785332.db2.gz SNPWUCKPDSHBQD-DLBZAZTESA-N 1 0 415.538 0.794 20 0 HCADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463656362 1075785319 /nfs/dbraw/zinc/78/53/19/1075785319.db2.gz SNPWUCKPDSHBQD-IAGOWNOFSA-N 1 0 415.538 0.794 20 0 HCADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463656363 1075785262 /nfs/dbraw/zinc/78/52/62/1075785262.db2.gz SNPWUCKPDSHBQD-IRXDYDNUSA-N 1 0 415.538 0.794 20 0 HCADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463656364 1075785282 /nfs/dbraw/zinc/78/52/82/1075785282.db2.gz SNPWUCKPDSHBQD-SJORKVTESA-N 1 0 415.538 0.794 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000463656724 1075789034 /nfs/dbraw/zinc/78/90/34/1075789034.db2.gz VELNFOJXVVAYPN-IBGZPJMESA-N 1 0 413.522 0.644 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000463656725 1075789145 /nfs/dbraw/zinc/78/91/45/1075789145.db2.gz VELNFOJXVVAYPN-LJQANCHMSA-N 1 0 413.522 0.644 20 0 HCADRO Cc1nn(C)c2cc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)ccc12 ZINC000463657533 1075792436 /nfs/dbraw/zinc/79/24/36/1075792436.db2.gz WENFGROJQDFWLR-UHFFFAOYSA-N 1 0 412.494 0.587 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)Cc1ccccc1 ZINC000463659570 1075792476 /nfs/dbraw/zinc/79/24/76/1075792476.db2.gz HPNVVSVRHVHIOG-UHFFFAOYSA-N 1 0 423.517 0.805 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000463659587 1075792659 /nfs/dbraw/zinc/79/26/59/1075792659.db2.gz HRRGDOSMCFUTEA-GOSISDBHSA-N 1 0 413.522 0.690 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000463659602 1075792781 /nfs/dbraw/zinc/79/27/81/1075792781.db2.gz HRRGDOSMCFUTEA-SFHVURJKSA-N 1 0 413.522 0.690 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[NH+]1CCCC1 ZINC000463660971 1075792647 /nfs/dbraw/zinc/79/26/47/1075792647.db2.gz AGMMRJZIQFNNCW-IBGZPJMESA-N 1 0 415.538 0.794 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[NH+]1CCCC1 ZINC000463660972 1075792707 /nfs/dbraw/zinc/79/27/07/1075792707.db2.gz AGMMRJZIQFNNCW-LJQANCHMSA-N 1 0 415.538 0.794 20 0 HCADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463661546 1075789800 /nfs/dbraw/zinc/78/98/00/1075789800.db2.gz DCQXILJXCHJKIE-KRWDZBQOSA-N 1 0 401.511 0.405 20 0 HCADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463661547 1075789714 /nfs/dbraw/zinc/78/97/14/1075789714.db2.gz DCQXILJXCHJKIE-QGZVFWFLSA-N 1 0 401.511 0.405 20 0 HCADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463662146 1075789733 /nfs/dbraw/zinc/78/97/33/1075789733.db2.gz DSUKKUUSDNNZSR-IAGOWNOFSA-N 1 0 415.538 0.936 20 0 HCADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463662147 1075789868 /nfs/dbraw/zinc/78/98/68/1075789868.db2.gz DSUKKUUSDNNZSR-IRXDYDNUSA-N 1 0 415.538 0.936 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C[NH+]1CCCCC1 ZINC000463666038 1075790329 /nfs/dbraw/zinc/79/03/29/1075790329.db2.gz PIITUHXIRMDOCN-KRWDZBQOSA-N 1 0 415.538 0.795 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C[NH+]1CCCCC1 ZINC000463666039 1075790349 /nfs/dbraw/zinc/79/03/49/1075790349.db2.gz PIITUHXIRMDOCN-QGZVFWFLSA-N 1 0 415.538 0.795 20 0 HCADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463666732 1075790628 /nfs/dbraw/zinc/79/06/28/1075790628.db2.gz SWEFKYLTOSUGPP-AWEZNQCLSA-N 1 0 414.466 0.841 20 0 HCADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463666733 1075790586 /nfs/dbraw/zinc/79/05/86/1075790586.db2.gz SWEFKYLTOSUGPP-CQSZACIVSA-N 1 0 414.466 0.841 20 0 HCADRO NC(=O)Cn1cc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nn1 ZINC000463669441 1075790977 /nfs/dbraw/zinc/79/09/77/1075790977.db2.gz YQAVNKXKKUMTNQ-UHFFFAOYSA-N 1 0 406.874 0.690 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCC[N@@H+](C(C)C)CC3)c2)nn1 ZINC000463672590 1075791825 /nfs/dbraw/zinc/79/18/25/1075791825.db2.gz KJLDFHINJKWELM-UHFFFAOYSA-N 1 0 414.466 0.935 20 0 HCADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463672665 1075791499 /nfs/dbraw/zinc/79/14/99/1075791499.db2.gz LCXABDIKIAULLO-UHFFFAOYSA-N 1 0 401.511 0.500 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(C)nn(C)c3c2)CC1 ZINC000463672833 1075791534 /nfs/dbraw/zinc/79/15/34/1075791534.db2.gz ASZVSOLKHFYSRK-UHFFFAOYSA-N 1 0 414.510 0.833 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)c2)nn1 ZINC000463683846 1075794134 /nfs/dbraw/zinc/79/41/34/1075794134.db2.gz NNJCNBZERYWVPT-INIZCTEOSA-N 1 0 410.434 0.465 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)c2)nn1 ZINC000463683847 1075793950 /nfs/dbraw/zinc/79/39/50/1075793950.db2.gz NNJCNBZERYWVPT-MRXNPFEDSA-N 1 0 410.434 0.465 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCC3CC[NH+](C)CC3)c2)nn1 ZINC000463684285 1075794431 /nfs/dbraw/zinc/79/44/31/1075794431.db2.gz PFLMUJDDDUJBQI-UHFFFAOYSA-N 1 0 414.466 0.841 20 0 HCADRO Cn1cc(NC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(C2CC2)n1 ZINC000463685535 1075794392 /nfs/dbraw/zinc/79/43/92/1075794392.db2.gz AXBHJSVHCRAMSC-UHFFFAOYSA-N 1 0 412.494 0.844 20 0 HCADRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463686374 1075794623 /nfs/dbraw/zinc/79/46/23/1075794623.db2.gz VWIRTARQMNXLPF-UHFFFAOYSA-N 1 0 401.511 0.405 20 0 HCADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463687179 1075794931 /nfs/dbraw/zinc/79/49/31/1075794931.db2.gz RDIZUZIJFZLDAS-UHFFFAOYSA-N 1 0 415.538 0.795 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)c2)nn1 ZINC000463689281 1075795231 /nfs/dbraw/zinc/79/52/31/1075795231.db2.gz IDTBAEYWYWUFTK-UHFFFAOYSA-N 1 0 400.439 0.450 20 0 HCADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463689419 1075795187 /nfs/dbraw/zinc/79/51/87/1075795187.db2.gz YDANHSWXTMWGBU-GOSISDBHSA-N 1 0 415.538 0.747 20 0 HCADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463689420 1075795298 /nfs/dbraw/zinc/79/52/98/1075795298.db2.gz YDANHSWXTMWGBU-SFHVURJKSA-N 1 0 415.538 0.747 20 0 HCADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463690526 1075795581 /nfs/dbraw/zinc/79/55/81/1075795581.db2.gz REEPCZCCLYDRMP-MSOLQXFVSA-N 1 0 401.511 0.546 20 0 HCADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463690527 1075795549 /nfs/dbraw/zinc/79/55/49/1075795549.db2.gz REEPCZCCLYDRMP-QZTJIDSGSA-N 1 0 401.511 0.546 20 0 HCADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463690528 1075795568 /nfs/dbraw/zinc/79/55/68/1075795568.db2.gz REEPCZCCLYDRMP-ROUUACIJSA-N 1 0 401.511 0.546 20 0 HCADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463690529 1075795497 /nfs/dbraw/zinc/79/54/97/1075795497.db2.gz REEPCZCCLYDRMP-ZWKOTPCHSA-N 1 0 401.511 0.546 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463690915 1075795278 /nfs/dbraw/zinc/79/52/78/1075795278.db2.gz UIPXBKZPLIKLNI-KRWDZBQOSA-N 1 0 401.511 0.357 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463690916 1075795320 /nfs/dbraw/zinc/79/53/20/1075795320.db2.gz UIPXBKZPLIKLNI-QGZVFWFLSA-N 1 0 401.511 0.357 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)c2)nn1 ZINC000463691071 1075795309 /nfs/dbraw/zinc/79/53/09/1075795309.db2.gz UYTILHPWRYYLSI-DZGCQCFKSA-N 1 0 414.466 0.981 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)c2)nn1 ZINC000463691072 1075795272 /nfs/dbraw/zinc/79/52/72/1075795272.db2.gz UYTILHPWRYYLSI-HIFRSBDPSA-N 1 0 414.466 0.981 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)c2)nn1 ZINC000463691073 1075795244 /nfs/dbraw/zinc/79/52/44/1075795244.db2.gz UYTILHPWRYYLSI-UKRRQHHQSA-N 1 0 414.466 0.981 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)c2)nn1 ZINC000463691074 1075795159 /nfs/dbraw/zinc/79/51/59/1075795159.db2.gz UYTILHPWRYYLSI-ZFWWWQNUSA-N 1 0 414.466 0.981 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463692146 1075796230 /nfs/dbraw/zinc/79/62/30/1075796230.db2.gz VPLKFOSTOBENCU-AWEZNQCLSA-N 1 0 414.466 0.793 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463692147 1075796114 /nfs/dbraw/zinc/79/61/14/1075796114.db2.gz VPLKFOSTOBENCU-CQSZACIVSA-N 1 0 414.466 0.793 20 0 HCADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1 ZINC000463700160 1075798450 /nfs/dbraw/zinc/79/84/50/1075798450.db2.gz UUBMSLBVXRQAFF-UHFFFAOYSA-N 1 0 414.466 0.983 20 0 HCADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463703049 1075798786 /nfs/dbraw/zinc/79/87/86/1075798786.db2.gz HFLBUAYZAZIKFQ-UHFFFAOYSA-N 1 0 401.511 0.548 20 0 HCADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463704106 1075799179 /nfs/dbraw/zinc/79/91/79/1075799179.db2.gz MHKCIKNOYLMEER-GOSISDBHSA-N 1 0 415.538 0.747 20 0 HCADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463704108 1075799119 /nfs/dbraw/zinc/79/91/19/1075799119.db2.gz MHKCIKNOYLMEER-SFHVURJKSA-N 1 0 415.538 0.747 20 0 HCADRO Cn1cc(NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(C2CC2)n1 ZINC000463708723 1075802192 /nfs/dbraw/zinc/80/21/92/1075802192.db2.gz ZPCVNVUABLJONL-UHFFFAOYSA-N 1 0 418.542 0.979 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000463708724 1075802189 /nfs/dbraw/zinc/80/21/89/1075802189.db2.gz ZPHWRIJWCKERTO-GOSISDBHSA-N 1 0 413.522 0.501 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000463708725 1075802120 /nfs/dbraw/zinc/80/21/20/1075802120.db2.gz ZPHWRIJWCKERTO-SFHVURJKSA-N 1 0 413.522 0.501 20 0 HCADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463709300 1075800080 /nfs/dbraw/zinc/80/00/80/1075800080.db2.gz UDEVVSJKHNRGEE-UHFFFAOYSA-N 1 0 415.538 0.938 20 0 HCADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463710989 1075800138 /nfs/dbraw/zinc/80/01/38/1075800138.db2.gz PSHZJGQJYLNLKB-GOSISDBHSA-N 1 0 401.511 0.500 20 0 HCADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463710990 1075800147 /nfs/dbraw/zinc/80/01/47/1075800147.db2.gz PSHZJGQJYLNLKB-SFHVURJKSA-N 1 0 401.511 0.500 20 0 HCADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463711604 1075800310 /nfs/dbraw/zinc/80/03/10/1075800310.db2.gz RWOHMOVVXBCKPE-INIZCTEOSA-N 1 0 414.466 0.935 20 0 HCADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463711605 1075800328 /nfs/dbraw/zinc/80/03/28/1075800328.db2.gz RWOHMOVVXBCKPE-MRXNPFEDSA-N 1 0 414.466 0.935 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CCSC1 ZINC000463712981 1075800408 /nfs/dbraw/zinc/80/04/08/1075800408.db2.gz FWXNKEUWNZTESA-FQEVSTJZSA-N 1 0 419.551 0.110 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CCSC1 ZINC000463712982 1075800445 /nfs/dbraw/zinc/80/04/45/1075800445.db2.gz FWXNKEUWNZTESA-HXUWFJFHSA-N 1 0 419.551 0.110 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)c2)nn1 ZINC000463714254 1075800636 /nfs/dbraw/zinc/80/06/36/1075800636.db2.gz KDMWXMNORVDZQO-UHFFFAOYSA-N 1 0 409.406 0.038 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463714488 1075800692 /nfs/dbraw/zinc/80/06/92/1075800692.db2.gz BYTVSFBKXAOXQN-HNNXBMFYSA-N 1 0 400.439 0.593 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463714489 1075800649 /nfs/dbraw/zinc/80/06/49/1075800649.db2.gz BYTVSFBKXAOXQN-OAHLLOKOSA-N 1 0 400.439 0.593 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c2)nn1 ZINC000463716621 1075800850 /nfs/dbraw/zinc/80/08/50/1075800850.db2.gz MHERPFFZWIWNDQ-UHFFFAOYSA-N 1 0 402.455 0.696 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)c2)nn1 ZINC000463717284 1075800878 /nfs/dbraw/zinc/80/08/78/1075800878.db2.gz IAEPMTXUJWWEKT-CYBMUJFWSA-N 1 0 400.439 0.403 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)c2)nn1 ZINC000463717285 1075800853 /nfs/dbraw/zinc/80/08/53/1075800853.db2.gz IAEPMTXUJWWEKT-ZDUSSCGKSA-N 1 0 400.439 0.403 20 0 HCADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463718888 1075801015 /nfs/dbraw/zinc/80/10/15/1075801015.db2.gz PGKQJYNUFRWANH-IBGZPJMESA-N 1 0 415.538 0.938 20 0 HCADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463718890 1075800976 /nfs/dbraw/zinc/80/09/76/1075800976.db2.gz PGKQJYNUFRWANH-LJQANCHMSA-N 1 0 415.538 0.938 20 0 HCADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463723291 1075801559 /nfs/dbraw/zinc/80/15/59/1075801559.db2.gz ACNPECDPKURIIA-INIZCTEOSA-N 1 0 414.466 0.983 20 0 HCADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463723292 1075801582 /nfs/dbraw/zinc/80/15/82/1075801582.db2.gz ACNPECDPKURIIA-MRXNPFEDSA-N 1 0 414.466 0.983 20 0 HCADRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1)C(C)C ZINC000463723409 1075801578 /nfs/dbraw/zinc/80/15/78/1075801578.db2.gz PMAITGXONAVDOA-UHFFFAOYSA-N 1 0 402.455 0.839 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C1CCCCC1 ZINC000463723845 1075801610 /nfs/dbraw/zinc/80/16/10/1075801610.db2.gz VRHJEBIQKYKTHO-UHFFFAOYSA-N 1 0 415.538 0.938 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@H+](C)C3CCCC3)c2)nn1 ZINC000463724232 1075801762 /nfs/dbraw/zinc/80/17/62/1075801762.db2.gz AHQBGUDTTITLHV-UHFFFAOYSA-N 1 0 414.466 0.983 20 0 HCADRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1)C1CC1 ZINC000463724829 1075801587 /nfs/dbraw/zinc/80/15/87/1075801587.db2.gz XVPKIRUQJPNRBW-UHFFFAOYSA-N 1 0 400.439 0.593 20 0 HCADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463725287 1075802393 /nfs/dbraw/zinc/80/23/93/1075802393.db2.gz YLZRINJHUIVMNN-UHFFFAOYSA-N 1 0 415.538 0.795 20 0 HCADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463725389 1075802365 /nfs/dbraw/zinc/80/23/65/1075802365.db2.gz SRDGDOJBECIGAN-CYBMUJFWSA-N 1 0 402.455 0.839 20 0 HCADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463725390 1075802376 /nfs/dbraw/zinc/80/23/76/1075802376.db2.gz SRDGDOJBECIGAN-ZDUSSCGKSA-N 1 0 402.455 0.839 20 0 HCADRO Cc1nn(C)c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)ccc12 ZINC000463725962 1075802105 /nfs/dbraw/zinc/80/21/05/1075802105.db2.gz VMUDZGLMDIRMSR-AWEZNQCLSA-N 1 0 400.483 0.524 20 0 HCADRO Cc1nn(C)c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc12 ZINC000463725963 1075802383 /nfs/dbraw/zinc/80/23/83/1075802383.db2.gz VMUDZGLMDIRMSR-CQSZACIVSA-N 1 0 400.483 0.524 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)c2)nn1 ZINC000463726323 1075802351 /nfs/dbraw/zinc/80/23/51/1075802351.db2.gz HCPHBAGSQGIWRV-INIZCTEOSA-N 1 0 400.439 0.449 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)c2)nn1 ZINC000463726324 1075802342 /nfs/dbraw/zinc/80/23/42/1075802342.db2.gz HCPHBAGSQGIWRV-MRXNPFEDSA-N 1 0 400.439 0.449 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)c2)nn1 ZINC000463727517 1075802344 /nfs/dbraw/zinc/80/23/44/1075802344.db2.gz OEADRHLSFWAZRN-GFCCVEGCSA-N 1 0 400.439 0.591 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)c2)nn1 ZINC000463727518 1075802389 /nfs/dbraw/zinc/80/23/89/1075802389.db2.gz OEADRHLSFWAZRN-LBPRGKRZSA-N 1 0 400.439 0.591 20 0 HCADRO COC(=O)C[C@@]1([NH2+]Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CCOC1 ZINC000463730259 1075802807 /nfs/dbraw/zinc/80/28/07/1075802807.db2.gz NLBFZCHAUKFPNZ-NRFANRHFSA-N 1 0 422.478 0.745 20 0 HCADRO COC(=O)C[C@]1([NH2+]Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CCOC1 ZINC000463730260 1075802759 /nfs/dbraw/zinc/80/27/59/1075802759.db2.gz NLBFZCHAUKFPNZ-OAQYLSRUSA-N 1 0 422.478 0.745 20 0 HCADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463733343 1075803345 /nfs/dbraw/zinc/80/33/45/1075803345.db2.gz MGUFKYBARYJXMZ-GOSISDBHSA-N 1 0 415.538 0.794 20 0 HCADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463733344 1075803379 /nfs/dbraw/zinc/80/33/79/1075803379.db2.gz MGUFKYBARYJXMZ-SFHVURJKSA-N 1 0 415.538 0.794 20 0 HCADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463734027 1075803131 /nfs/dbraw/zinc/80/31/31/1075803131.db2.gz YYIUHVGNNPJEDZ-GOSISDBHSA-N 1 0 401.511 0.548 20 0 HCADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463734028 1075803200 /nfs/dbraw/zinc/80/32/00/1075803200.db2.gz YYIUHVGNNPJEDZ-SFHVURJKSA-N 1 0 401.511 0.548 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C1CCCC1 ZINC000463734498 1075803327 /nfs/dbraw/zinc/80/33/27/1075803327.db2.gz XYBJLEHOBRRAFB-UHFFFAOYSA-N 1 0 401.511 0.548 20 0 HCADRO Cc1nc(C)c(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)nc1C ZINC000463746717 1075804937 /nfs/dbraw/zinc/80/49/37/1075804937.db2.gz GSBPKIOCZGJHFG-UHFFFAOYSA-N 1 0 402.543 0.712 20 0 HCADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463762174 1075805382 /nfs/dbraw/zinc/80/53/82/1075805382.db2.gz FSIQOLDVEIAZLR-UHFFFAOYSA-N 1 0 413.522 0.548 20 0 HCADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463765832 1075805756 /nfs/dbraw/zinc/80/57/56/1075805756.db2.gz SQRNMUXRBLJKQD-GOSISDBHSA-N 1 0 415.538 0.794 20 0 HCADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463765833 1075805800 /nfs/dbraw/zinc/80/58/00/1075805800.db2.gz SQRNMUXRBLJKQD-SFHVURJKSA-N 1 0 415.538 0.794 20 0 HCADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463767744 1075806126 /nfs/dbraw/zinc/80/61/26/1075806126.db2.gz LRLYOQFRUHMSCE-UHFFFAOYSA-N 1 0 415.538 0.795 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000463771395 1075806673 /nfs/dbraw/zinc/80/66/73/1075806673.db2.gz YQFCTXMPNKFLEC-UHFFFAOYSA-N 1 0 413.522 0.690 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)CCC[NH+]3CCCC3)c2)nn1 ZINC000463771640 1075806716 /nfs/dbraw/zinc/80/67/16/1075806716.db2.gz XCYDJMAEVFADIF-UHFFFAOYSA-N 1 0 414.466 0.937 20 0 HCADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463771673 1075806666 /nfs/dbraw/zinc/80/66/66/1075806666.db2.gz XEYSCTIVMFPPSH-UHFFFAOYSA-N 1 0 401.511 0.501 20 0 HCADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463778908 1075807742 /nfs/dbraw/zinc/80/77/42/1075807742.db2.gz CYXXVCSVLGODOA-IBGZPJMESA-N 1 0 413.522 0.690 20 0 HCADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463778909 1075807986 /nfs/dbraw/zinc/80/79/86/1075807986.db2.gz CYXXVCSVLGODOA-LJQANCHMSA-N 1 0 413.522 0.690 20 0 HCADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463780844 1075811403 /nfs/dbraw/zinc/81/14/03/1075811403.db2.gz GUZMIZIDPLDMDB-UHFFFAOYSA-N 1 0 413.522 0.644 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)nn1 ZINC000463782504 1075812028 /nfs/dbraw/zinc/81/20/28/1075812028.db2.gz LSCAVFBSRKDUJR-DZGCQCFKSA-N 1 0 414.466 0.934 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2)nn1 ZINC000463782505 1075812042 /nfs/dbraw/zinc/81/20/42/1075812042.db2.gz LSCAVFBSRKDUJR-HIFRSBDPSA-N 1 0 414.466 0.934 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)nn1 ZINC000463782506 1075812032 /nfs/dbraw/zinc/81/20/32/1075812032.db2.gz LSCAVFBSRKDUJR-UKRRQHHQSA-N 1 0 414.466 0.934 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)nn1 ZINC000463782507 1075812005 /nfs/dbraw/zinc/81/20/05/1075812005.db2.gz LSCAVFBSRKDUJR-ZFWWWQNUSA-N 1 0 414.466 0.934 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@H+]3CC=C(C)CC3)c2)nn1 ZINC000463784010 1075812050 /nfs/dbraw/zinc/81/20/50/1075812050.db2.gz RFRIWWFZUTYXNT-UHFFFAOYSA-N 1 0 412.450 0.761 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)CC[N@H+](C)C3CC3)c2)nn1 ZINC000463784189 1075812080 /nfs/dbraw/zinc/81/20/80/1075812080.db2.gz WFRKILGSXKPQLM-UHFFFAOYSA-N 1 0 400.439 0.545 20 0 HCADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463785707 1075812787 /nfs/dbraw/zinc/81/27/87/1075812787.db2.gz AMDRAWVXCOQSKA-UHFFFAOYSA-N 1 0 402.455 0.793 20 0 HCADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@@H+]1C ZINC000463785830 1075812784 /nfs/dbraw/zinc/81/27/84/1075812784.db2.gz XLOGUWSZCOEROS-CRAIPNDOSA-N 1 0 401.511 0.498 20 0 HCADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@@H+]1C ZINC000463785832 1075812812 /nfs/dbraw/zinc/81/28/12/1075812812.db2.gz XLOGUWSZCOEROS-MAUKXSAKSA-N 1 0 401.511 0.498 20 0 HCADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@@H+]1C ZINC000463785835 1075812796 /nfs/dbraw/zinc/81/27/96/1075812796.db2.gz XLOGUWSZCOEROS-QAPCUYQASA-N 1 0 401.511 0.498 20 0 HCADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@@H+]1C ZINC000463785839 1075812761 /nfs/dbraw/zinc/81/27/61/1075812761.db2.gz XLOGUWSZCOEROS-YJBOKZPZSA-N 1 0 401.511 0.498 20 0 HCADRO Cc1nn(C)c2cc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)ccc12 ZINC000463785998 1075812776 /nfs/dbraw/zinc/81/27/76/1075812776.db2.gz YDMLFDXGMAIJMZ-KRWDZBQOSA-N 1 0 412.494 0.585 20 0 HCADRO Cc1nn(C)c2cc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)ccc12 ZINC000463786002 1075812753 /nfs/dbraw/zinc/81/27/53/1075812753.db2.gz YDMLFDXGMAIJMZ-QGZVFWFLSA-N 1 0 412.494 0.585 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000463786485 1080634443 /nfs/dbraw/zinc/63/44/43/1080634443.db2.gz ZKVMBKQEAUTYIK-JTQLQIEISA-N 1 0 419.429 0.865 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)c2)nn1 ZINC000463787897 1075813249 /nfs/dbraw/zinc/81/32/49/1075813249.db2.gz CQSBEUPBQDJPKQ-INIZCTEOSA-N 1 0 412.450 0.688 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)c2)nn1 ZINC000463787898 1075813259 /nfs/dbraw/zinc/81/32/59/1075813259.db2.gz CQSBEUPBQDJPKQ-MRXNPFEDSA-N 1 0 412.450 0.688 20 0 HCADRO NC(=O)Cn1cc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nn1 ZINC000463790273 1075808640 /nfs/dbraw/zinc/80/86/40/1075808640.db2.gz SQPIWCGBJLDYKB-UHFFFAOYSA-N 1 0 405.890 0.359 20 0 HCADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463791787 1075808906 /nfs/dbraw/zinc/80/89/06/1075808906.db2.gz SRIJDQRRWHKHSE-UHFFFAOYSA-N 1 0 415.538 0.794 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463791917 1075808848 /nfs/dbraw/zinc/80/88/48/1075808848.db2.gz XFWSNRXXNZWBRG-KRWDZBQOSA-N 1 0 422.551 0.188 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463791918 1075808920 /nfs/dbraw/zinc/80/89/20/1075808920.db2.gz XFWSNRXXNZWBRG-QGZVFWFLSA-N 1 0 422.551 0.188 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000463792133 1075808870 /nfs/dbraw/zinc/80/88/70/1075808870.db2.gz YPXYOTIKVVNRLU-IBGZPJMESA-N 1 0 413.522 0.644 20 0 HCADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000463792134 1075808891 /nfs/dbraw/zinc/80/88/91/1075808891.db2.gz YPXYOTIKVVNRLU-LJQANCHMSA-N 1 0 413.522 0.644 20 0 HCADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463792759 1075809122 /nfs/dbraw/zinc/80/91/22/1075809122.db2.gz AOYVUJKZRSGQQZ-UHFFFAOYSA-N 1 0 403.527 0.603 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@H+](C)CC[C@H]3C)c2)nn1 ZINC000463792800 1075809116 /nfs/dbraw/zinc/80/91/16/1075809116.db2.gz BFYLEYVNMZCAID-CYBMUJFWSA-N 1 0 400.439 0.545 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@H+](C)CC[C@@H]3C)c2)nn1 ZINC000463792801 1075809073 /nfs/dbraw/zinc/80/90/73/1075809073.db2.gz BFYLEYVNMZCAID-ZDUSSCGKSA-N 1 0 400.439 0.545 20 0 HCADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463792872 1075809082 /nfs/dbraw/zinc/80/90/82/1075809082.db2.gz CAADHELGRWSUIU-IBGZPJMESA-N 1 0 415.538 0.890 20 0 HCADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463792873 1075809328 /nfs/dbraw/zinc/80/93/28/1075809328.db2.gz CAADHELGRWSUIU-LJQANCHMSA-N 1 0 415.538 0.890 20 0 HCADRO Cc1cc(Cl)cnc1NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000463794984 1075809754 /nfs/dbraw/zinc/80/97/54/1075809754.db2.gz AWGXALLOWBJJNP-UHFFFAOYSA-N 1 0 407.862 0.495 20 0 HCADRO C[C@@H](CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[NH+]1CCCCC1 ZINC000463795218 1075809761 /nfs/dbraw/zinc/80/97/61/1075809761.db2.gz BISXABMQWDILCY-KRWDZBQOSA-N 1 0 415.538 0.938 20 0 HCADRO C[C@H](CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[NH+]1CCCCC1 ZINC000463795219 1075809745 /nfs/dbraw/zinc/80/97/45/1075809745.db2.gz BISXABMQWDILCY-QGZVFWFLSA-N 1 0 415.538 0.938 20 0 HCADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463795321 1075810421 /nfs/dbraw/zinc/81/04/21/1075810421.db2.gz KPJPQTWOMOAXCE-UHFFFAOYSA-N 1 0 403.527 0.747 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)c2)nn1 ZINC000463798289 1075817037 /nfs/dbraw/zinc/81/70/37/1075817037.db2.gz LOHRSDRGLHGHNQ-AWEZNQCLSA-N 1 0 414.466 0.793 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)c2)nn1 ZINC000463798291 1075817100 /nfs/dbraw/zinc/81/71/00/1075817100.db2.gz LOHRSDRGLHGHNQ-CQSZACIVSA-N 1 0 414.466 0.793 20 0 HCADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1 ZINC000463798554 1075817045 /nfs/dbraw/zinc/81/70/45/1075817045.db2.gz SXYOQKJMSKDGCB-UHFFFAOYSA-N 1 0 400.439 0.547 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@H]1C ZINC000463799782 1075817292 /nfs/dbraw/zinc/81/72/92/1075817292.db2.gz XWPKCVQNSNCNET-APWZRJJASA-N 1 0 415.538 0.888 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@@H]1C ZINC000463799788 1075817286 /nfs/dbraw/zinc/81/72/86/1075817286.db2.gz XWPKCVQNSNCNET-LPHOPBHVSA-N 1 0 415.538 0.888 20 0 HCADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@@H]1C ZINC000463799789 1075817351 /nfs/dbraw/zinc/81/73/51/1075817351.db2.gz XWPKCVQNSNCNET-QFBILLFUSA-N 1 0 415.538 0.888 20 0 HCADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@H]1C ZINC000463799790 1075817360 /nfs/dbraw/zinc/81/73/60/1075817360.db2.gz XWPKCVQNSNCNET-VQIMIIECSA-N 1 0 415.538 0.888 20 0 HCADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463800606 1075817794 /nfs/dbraw/zinc/81/77/94/1075817794.db2.gz ULISIOKGXJEJPF-KRWDZBQOSA-N 1 0 401.511 0.357 20 0 HCADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463800607 1075817831 /nfs/dbraw/zinc/81/78/31/1075817831.db2.gz ULISIOKGXJEJPF-QGZVFWFLSA-N 1 0 401.511 0.357 20 0 HCADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463800614 1075817827 /nfs/dbraw/zinc/81/78/27/1075817827.db2.gz BWNNQEVRIIVXLE-UHFFFAOYSA-N 1 0 401.511 0.500 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)CC3([NH+](C)C)CCC3)c2)nn1 ZINC000463800702 1075817762 /nfs/dbraw/zinc/81/77/62/1075817762.db2.gz CSXQIPCDEVPLAJ-UHFFFAOYSA-N 1 0 414.466 0.935 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC3([NH+](C)C)CCC3)c2)nn1 ZINC000463800833 1075817544 /nfs/dbraw/zinc/81/75/44/1075817544.db2.gz RJUJCAHONMKTNJ-UHFFFAOYSA-N 1 0 400.439 0.593 20 0 HCADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CCCC1 ZINC000463801570 1075813445 /nfs/dbraw/zinc/81/34/45/1075813445.db2.gz BSGIHUALZMGJCJ-UHFFFAOYSA-N 1 0 415.538 0.795 20 0 HCADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463801883 1075813284 /nfs/dbraw/zinc/81/32/84/1075813284.db2.gz WXTNKIQWRHTGFT-KRWDZBQOSA-N 1 0 415.538 0.938 20 0 HCADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463801884 1075813275 /nfs/dbraw/zinc/81/32/75/1075813275.db2.gz WXTNKIQWRHTGFT-QGZVFWFLSA-N 1 0 415.538 0.938 20 0 HCADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463802403 1075813673 /nfs/dbraw/zinc/81/36/73/1075813673.db2.gz HPJVFKBJLUYKFI-CRAIPNDOSA-N 1 0 401.511 0.356 20 0 HCADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463802405 1075813738 /nfs/dbraw/zinc/81/37/38/1075813738.db2.gz HPJVFKBJLUYKFI-MAUKXSAKSA-N 1 0 401.511 0.356 20 0 HCADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463802407 1075813661 /nfs/dbraw/zinc/81/36/61/1075813661.db2.gz HPJVFKBJLUYKFI-QAPCUYQASA-N 1 0 401.511 0.356 20 0 HCADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463802409 1075813666 /nfs/dbraw/zinc/81/36/66/1075813666.db2.gz HPJVFKBJLUYKFI-YJBOKZPZSA-N 1 0 401.511 0.356 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)c2)nn1 ZINC000463802637 1075813720 /nfs/dbraw/zinc/81/37/20/1075813720.db2.gz ZDEGLUSBJXFYDI-CYBMUJFWSA-N 1 0 412.450 0.759 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)c2)nn1 ZINC000463802638 1075813694 /nfs/dbraw/zinc/81/36/94/1075813694.db2.gz ZDEGLUSBJXFYDI-ZDUSSCGKSA-N 1 0 412.450 0.759 20 0 HCADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cn(Cc3ccccn3)nn2)cc1 ZINC000463803409 1075814203 /nfs/dbraw/zinc/81/42/03/1075814203.db2.gz YBONAMJVCLYENY-UHFFFAOYSA-N 1 0 407.478 0.943 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)c2)nn1 ZINC000463803521 1075813978 /nfs/dbraw/zinc/81/39/78/1075813978.db2.gz KBTGJXNSJXQKIS-CXAGYDPISA-N 1 0 414.466 0.791 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)c2)nn1 ZINC000463803523 1075814149 /nfs/dbraw/zinc/81/41/49/1075814149.db2.gz KBTGJXNSJXQKIS-DYVFJYSZSA-N 1 0 414.466 0.791 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)c2)nn1 ZINC000463803525 1075814200 /nfs/dbraw/zinc/81/42/00/1075814200.db2.gz KBTGJXNSJXQKIS-GUYCJALGSA-N 1 0 414.466 0.791 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)c2)nn1 ZINC000463803527 1075814183 /nfs/dbraw/zinc/81/41/83/1075814183.db2.gz KBTGJXNSJXQKIS-SUMWQHHRSA-N 1 0 414.466 0.791 20 0 HCADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463804090 1075813757 /nfs/dbraw/zinc/81/37/57/1075813757.db2.gz YOPAKOZRNLZBJE-MOPGFXCFSA-N 1 0 413.522 0.642 20 0 HCADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463804431 1075814442 /nfs/dbraw/zinc/81/44/42/1075814442.db2.gz MCLRGTDWCGGROA-UHFFFAOYSA-N 1 0 401.511 0.405 20 0 HCADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463804920 1075814192 /nfs/dbraw/zinc/81/41/92/1075814192.db2.gz NIZQHQXUIUWHQB-UHFFFAOYSA-N 1 0 415.538 0.891 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC3(C)CC[NH+](C)CC3)c2)nn1 ZINC000463804921 1075814176 /nfs/dbraw/zinc/81/41/76/1075814176.db2.gz NKLUAYIBEKHWIQ-UHFFFAOYSA-N 1 0 414.466 0.841 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)CC[NH+]3CCCC3)c2)nn1 ZINC000463805817 1075814678 /nfs/dbraw/zinc/81/46/78/1075814678.db2.gz GSLGNYAUYKHOKO-UHFFFAOYSA-N 1 0 400.439 0.547 20 0 HCADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463805955 1075814673 /nfs/dbraw/zinc/81/46/73/1075814673.db2.gz PXDYULTYKGQKKP-UHFFFAOYSA-N 1 0 415.538 0.890 20 0 HCADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463806777 1075814836 /nfs/dbraw/zinc/81/48/36/1075814836.db2.gz SQADTXOWYQKETD-HKUYNNGSSA-N 1 0 413.522 0.500 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463806778 1075814905 /nfs/dbraw/zinc/81/49/05/1075814905.db2.gz SQADTXOWYQKETD-IEBWSBKVSA-N 1 0 413.522 0.500 20 0 HCADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463806779 1075814866 /nfs/dbraw/zinc/81/48/66/1075814866.db2.gz SQADTXOWYQKETD-MJGOQNOKSA-N 1 0 413.522 0.500 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463806780 1075814854 /nfs/dbraw/zinc/81/48/54/1075814854.db2.gz SQADTXOWYQKETD-PKOBYXMFSA-N 1 0 413.522 0.500 20 0 HCADRO CC(C)(CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C[NH+]1CCCC1 ZINC000463807774 1075815315 /nfs/dbraw/zinc/81/53/15/1075815315.db2.gz VVCKIIXZQVTRTC-UHFFFAOYSA-N 1 0 415.538 0.795 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000463808016 1075815163 /nfs/dbraw/zinc/81/51/63/1075815163.db2.gz MZNLCSBCDSFYAL-APWZRJJASA-N 1 0 415.538 0.746 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)[C@@H](C)C1 ZINC000463808017 1075815135 /nfs/dbraw/zinc/81/51/35/1075815135.db2.gz MZNLCSBCDSFYAL-LPHOPBHVSA-N 1 0 415.538 0.746 20 0 HCADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)[C@@H](C)C1 ZINC000463808018 1075815155 /nfs/dbraw/zinc/81/51/55/1075815155.db2.gz MZNLCSBCDSFYAL-QFBILLFUSA-N 1 0 415.538 0.746 20 0 HCADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000463808019 1075815117 /nfs/dbraw/zinc/81/51/17/1075815117.db2.gz MZNLCSBCDSFYAL-VQIMIIECSA-N 1 0 415.538 0.746 20 0 HCADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463810159 1075815766 /nfs/dbraw/zinc/81/57/66/1075815766.db2.gz YOOIVDTWUIVPRR-INIZCTEOSA-N 1 0 415.538 0.746 20 0 HCADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463810160 1075815822 /nfs/dbraw/zinc/81/58/22/1075815822.db2.gz YOOIVDTWUIVPRR-MRXNPFEDSA-N 1 0 415.538 0.746 20 0 HCADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC[C@@H]21 ZINC000463810647 1075816227 /nfs/dbraw/zinc/81/62/27/1075816227.db2.gz UDEXZCXEWVWMCV-HKUYNNGSSA-N 1 0 413.522 0.500 20 0 HCADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC[C@H]21 ZINC000463810648 1075816170 /nfs/dbraw/zinc/81/61/70/1075816170.db2.gz UDEXZCXEWVWMCV-IEBWSBKVSA-N 1 0 413.522 0.500 20 0 HCADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC[C@@H]21 ZINC000463810649 1075816223 /nfs/dbraw/zinc/81/62/23/1075816223.db2.gz UDEXZCXEWVWMCV-MJGOQNOKSA-N 1 0 413.522 0.500 20 0 HCADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC[C@H]21 ZINC000463810650 1075816218 /nfs/dbraw/zinc/81/62/18/1075816218.db2.gz UDEXZCXEWVWMCV-PKOBYXMFSA-N 1 0 413.522 0.500 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2nccnc2NC(=O)C(C)(C)C)CC1 ZINC000463814469 1075816897 /nfs/dbraw/zinc/81/68/97/1075816897.db2.gz MTSUMOLVHKRHRT-UHFFFAOYSA-N 1 0 404.515 0.991 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463821891 1075819181 /nfs/dbraw/zinc/81/91/81/1075819181.db2.gz TZEFMDPAPOFJOX-UHFFFAOYSA-N 1 0 410.540 0.044 20 0 HCADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463822551 1075819562 /nfs/dbraw/zinc/81/95/62/1075819562.db2.gz DEQTZZUHQMVFDP-INIZCTEOSA-N 1 0 403.527 0.794 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463826311 1075820749 /nfs/dbraw/zinc/82/07/49/1075820749.db2.gz IVRBIOMZCFJHIU-SFHVURJKSA-N 1 0 401.511 0.548 20 0 HCADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463826874 1075820507 /nfs/dbraw/zinc/82/05/07/1075820507.db2.gz UCOPACHYUBGKSN-APWZRJJASA-N 1 0 413.522 0.642 20 0 HCADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463826875 1075820465 /nfs/dbraw/zinc/82/04/65/1075820465.db2.gz UCOPACHYUBGKSN-LPHOPBHVSA-N 1 0 413.522 0.642 20 0 HCADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463826876 1075820503 /nfs/dbraw/zinc/82/05/03/1075820503.db2.gz UCOPACHYUBGKSN-QFBILLFUSA-N 1 0 413.522 0.642 20 0 HCADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463826877 1075820522 /nfs/dbraw/zinc/82/05/22/1075820522.db2.gz UCOPACHYUBGKSN-VQIMIIECSA-N 1 0 413.522 0.642 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463827078 1075820496 /nfs/dbraw/zinc/82/04/96/1075820496.db2.gz LGCSIXDMIZYRBY-INIZCTEOSA-N 1 0 414.466 0.983 20 0 HCADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000463829702 1075821364 /nfs/dbraw/zinc/82/13/64/1075821364.db2.gz JIEDHDKDMBONIN-UHFFFAOYSA-N 1 0 423.535 0.711 20 0 HCADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463831118 1075817733 /nfs/dbraw/zinc/81/77/33/1075817733.db2.gz MOHVSJWNVAVTEL-MRXNPFEDSA-N 1 0 403.527 0.794 20 0 HCADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463832723 1075818301 /nfs/dbraw/zinc/81/83/01/1075818301.db2.gz AYAGREVFDSFKBG-APWZRJJASA-N 1 0 413.522 0.642 20 0 HCADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463832724 1075818286 /nfs/dbraw/zinc/81/82/86/1075818286.db2.gz AYAGREVFDSFKBG-LPHOPBHVSA-N 1 0 413.522 0.642 20 0 HCADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463832725 1075818221 /nfs/dbraw/zinc/81/82/21/1075818221.db2.gz AYAGREVFDSFKBG-QFBILLFUSA-N 1 0 413.522 0.642 20 0 HCADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463832726 1075818281 /nfs/dbraw/zinc/81/82/81/1075818281.db2.gz AYAGREVFDSFKBG-VQIMIIECSA-N 1 0 413.522 0.642 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c2)nn1 ZINC000463833106 1075818256 /nfs/dbraw/zinc/81/82/56/1075818256.db2.gz DHPVBUUKGQFFEI-ZDUSSCGKSA-N 1 0 402.455 0.837 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)c2)nn1 ZINC000463835218 1075822793 /nfs/dbraw/zinc/82/27/93/1075822793.db2.gz DHPVBUUKGQFFEI-CYBMUJFWSA-N 1 0 402.455 0.837 20 0 HCADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463836389 1075823187 /nfs/dbraw/zinc/82/31/87/1075823187.db2.gz MOHVSJWNVAVTEL-INIZCTEOSA-N 1 0 403.527 0.794 20 0 HCADRO O=S(=O)(CCCN1CCOCC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000463845138 1075824545 /nfs/dbraw/zinc/82/45/45/1075824545.db2.gz LLCGMPVFYDYGIK-UHFFFAOYSA-N 1 0 403.589 0.863 20 0 HCADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463847574 1075822068 /nfs/dbraw/zinc/82/20/68/1075822068.db2.gz DEQTZZUHQMVFDP-MRXNPFEDSA-N 1 0 403.527 0.794 20 0 HCADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463849830 1075822499 /nfs/dbraw/zinc/82/24/99/1075822499.db2.gz USQVAOFRGAQNDZ-UHFFFAOYSA-N 1 0 415.538 0.891 20 0 HCADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)CC1 ZINC000463851823 1075827273 /nfs/dbraw/zinc/82/72/73/1075827273.db2.gz VOVXWZKTSNYLBE-UHFFFAOYSA-N 1 0 402.605 0.529 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)CC1 ZINC000463854906 1075828028 /nfs/dbraw/zinc/82/80/28/1075828028.db2.gz KNDWCUHLEZPCPW-UHFFFAOYSA-N 1 0 407.515 0.822 20 0 HCADRO O=S(=O)(CCCN1CCOCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000463858680 1075829878 /nfs/dbraw/zinc/82/98/78/1075829878.db2.gz ITFKPDCOPWXZMT-PMACEKPBSA-N 1 0 411.568 0.511 20 0 HCADRO O=S(=O)(CCCN1CCOCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000463858681 1075829947 /nfs/dbraw/zinc/82/99/47/1075829947.db2.gz ITFKPDCOPWXZMT-UXHICEINSA-N 1 0 411.568 0.511 20 0 HCADRO O=S(=O)(CCCN1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000463858682 1075829966 /nfs/dbraw/zinc/82/99/66/1075829966.db2.gz ITFKPDCOPWXZMT-VQTJNVASSA-N 1 0 411.568 0.511 20 0 HCADRO O=S(=O)(CCCN1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000463858683 1075829911 /nfs/dbraw/zinc/82/99/11/1075829911.db2.gz ITFKPDCOPWXZMT-WOJBJXKFSA-N 1 0 411.568 0.511 20 0 HCADRO CN1CC[NH+](CC2(C)CCN(S(=O)(=O)CCCN3CCOCC3)CC2)CC1 ZINC000463858918 1075829662 /nfs/dbraw/zinc/82/96/62/1075829662.db2.gz VJMSNHBBMNUYMU-UHFFFAOYSA-N 1 0 402.605 0.388 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1cn(Cc2ccccn2)nn1 ZINC000463866194 1075825736 /nfs/dbraw/zinc/82/57/36/1075825736.db2.gz KRMANAWKIUBFPC-UHFFFAOYSA-N 1 0 421.509 0.844 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CC2)c1 ZINC000463870791 1075834828 /nfs/dbraw/zinc/83/48/28/1075834828.db2.gz OPEOCVSIECYNNP-UHFFFAOYSA-N 1 0 418.475 0.312 20 0 HCADRO O=S(=O)(CCCN1CCOCC1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000463873563 1075830661 /nfs/dbraw/zinc/83/06/61/1075830661.db2.gz SDSZEKGXXHJOTB-FQEVSTJZSA-N 1 0 411.568 0.785 20 0 HCADRO O=S(=O)(CCCN1CCOCC1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000463873564 1075830940 /nfs/dbraw/zinc/83/09/40/1075830940.db2.gz SDSZEKGXXHJOTB-HXUWFJFHSA-N 1 0 411.568 0.785 20 0 HCADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)CC1 ZINC000463874634 1075831193 /nfs/dbraw/zinc/83/11/93/1075831193.db2.gz LAIYXPIALWTZNL-UHFFFAOYSA-N 1 0 402.605 0.529 20 0 HCADRO O=S(=O)(CCCN1CCOCC1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000463878815 1075832778 /nfs/dbraw/zinc/83/27/78/1075832778.db2.gz VATMLZWYFMGERQ-UHFFFAOYSA-N 1 0 411.568 0.785 20 0 HCADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cn(CC(N)=O)nn3)CC2)c1C ZINC000463882845 1075833439 /nfs/dbraw/zinc/83/34/39/1075833439.db2.gz ZLJHFXIBWPSJJM-UHFFFAOYSA-N 1 0 415.498 0.520 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)N3CC[NH+](CC(C)(C)O)CC3)c2)nn1 ZINC000463887029 1075838076 /nfs/dbraw/zinc/83/80/76/1075838076.db2.gz HFAMSCONQIYYCP-UHFFFAOYSA-N 1 0 402.455 0.974 20 0 HCADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000463888899 1075838492 /nfs/dbraw/zinc/83/84/92/1075838492.db2.gz VTVCNLLGCYLHSZ-UHFFFAOYSA-N 1 0 409.508 0.320 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)N3CCC[N@@H+]([C@@H](C)CO)CC3)c2)nn1 ZINC000463902890 1075839595 /nfs/dbraw/zinc/83/95/95/1075839595.db2.gz DUIMJNMZGQVNHY-AWEZNQCLSA-N 1 0 402.455 0.974 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)N3CCC[N@@H+]([C@H](C)CO)CC3)c2)nn1 ZINC000463902891 1075839561 /nfs/dbraw/zinc/83/95/61/1075839561.db2.gz DUIMJNMZGQVNHY-CQSZACIVSA-N 1 0 402.455 0.974 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)c2)nn1 ZINC000463906153 1075840030 /nfs/dbraw/zinc/84/00/30/1075840030.db2.gz HIGLWQSONUAWJL-KBPBESRZSA-N 1 0 402.455 0.973 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)c2)nn1 ZINC000463906154 1075840004 /nfs/dbraw/zinc/84/00/04/1075840004.db2.gz HIGLWQSONUAWJL-KGLIPLIRSA-N 1 0 402.455 0.973 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)c2)nn1 ZINC000463906155 1075839968 /nfs/dbraw/zinc/83/99/68/1075839968.db2.gz HIGLWQSONUAWJL-UONOGXRCSA-N 1 0 402.455 0.973 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@H]3C)c2)nn1 ZINC000463906156 1075839993 /nfs/dbraw/zinc/83/99/93/1075839993.db2.gz HIGLWQSONUAWJL-ZIAGYGMSSA-N 1 0 402.455 0.973 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)NCC3CC[NH+](CCO)CC3)c2)nn1 ZINC000463917039 1075839186 /nfs/dbraw/zinc/83/91/86/1075839186.db2.gz AJJRCXLXMIIDRM-UHFFFAOYSA-N 1 0 402.455 0.880 20 0 HCADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1 ZINC000463928740 1075840655 /nfs/dbraw/zinc/84/06/55/1075840655.db2.gz XNKCWVIWLFZCME-HNNXBMFYSA-N 1 0 402.455 0.974 20 0 HCADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1 ZINC000463928741 1075840603 /nfs/dbraw/zinc/84/06/03/1075840603.db2.gz XNKCWVIWLFZCME-OAHLLOKOSA-N 1 0 402.455 0.974 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)N[C@@H](C)CN3CC[NH+](C)CC3)c2)nn1 ZINC000463940149 1075841460 /nfs/dbraw/zinc/84/14/60/1075841460.db2.gz ZMEMDJONCWJVRK-AWEZNQCLSA-N 1 0 401.471 0.811 20 0 HCADRO COC(=O)c1cn(-c2cccc(NC(=O)N[C@H](C)CN3CC[NH+](C)CC3)c2)nn1 ZINC000463940150 1075841430 /nfs/dbraw/zinc/84/14/30/1075841430.db2.gz ZMEMDJONCWJVRK-CQSZACIVSA-N 1 0 401.471 0.811 20 0 HCADRO CCN(C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@@H]1CCOC1 ZINC000463969688 1075844119 /nfs/dbraw/zinc/84/41/19/1075844119.db2.gz JTBWCHDISLVDNY-GOSISDBHSA-N 1 0 402.495 0.960 20 0 HCADRO CCN(C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@H]1CCOC1 ZINC000463969689 1075844099 /nfs/dbraw/zinc/84/40/99/1075844099.db2.gz JTBWCHDISLVDNY-SFHVURJKSA-N 1 0 402.495 0.960 20 0 HCADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@H](O)C2(C)C)CC1 ZINC000463973000 1075844461 /nfs/dbraw/zinc/84/44/61/1075844461.db2.gz GDLGLTRLVHKUTC-KRWDZBQOSA-N 1 0 402.495 0.775 20 0 HCADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@H](O)C2(C)C)CC1 ZINC000463973001 1075844505 /nfs/dbraw/zinc/84/45/05/1075844505.db2.gz GDLGLTRLVHKUTC-QGZVFWFLSA-N 1 0 402.495 0.775 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cn1C ZINC000463973203 1075844454 /nfs/dbraw/zinc/84/44/54/1075844454.db2.gz SSUXNZRCDMBFQU-INIZCTEOSA-N 1 0 400.435 0.956 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cn1C ZINC000463973204 1075844470 /nfs/dbraw/zinc/84/44/70/1075844470.db2.gz SSUXNZRCDMBFQU-MRXNPFEDSA-N 1 0 400.435 0.956 20 0 HCADRO CC1(C)[C@@H](O)CCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000463979252 1075843131 /nfs/dbraw/zinc/84/31/31/1075843131.db2.gz VQYBXACCJAVYOV-KRWDZBQOSA-N 1 0 402.495 0.694 20 0 HCADRO CC1(C)[C@H](O)CCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000463979253 1075843105 /nfs/dbraw/zinc/84/31/05/1075843105.db2.gz VQYBXACCJAVYOV-QGZVFWFLSA-N 1 0 402.495 0.694 20 0 HCADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000463986842 1075845456 /nfs/dbraw/zinc/84/54/56/1075845456.db2.gz BPUWYASYKQUSBG-GOSISDBHSA-N 1 0 407.434 0.806 20 0 HCADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000463986843 1075845418 /nfs/dbraw/zinc/84/54/18/1075845418.db2.gz BPUWYASYKQUSBG-SFHVURJKSA-N 1 0 407.434 0.806 20 0 HCADRO NC(=O)COc1cccc(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000463989369 1075845635 /nfs/dbraw/zinc/84/56/35/1075845635.db2.gz IEHXPKKXSRWHBY-KRWDZBQOSA-N 1 0 412.446 0.695 20 0 HCADRO NC(=O)COc1cccc(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000463989371 1075845680 /nfs/dbraw/zinc/84/56/80/1075845680.db2.gz IEHXPKKXSRWHBY-QGZVFWFLSA-N 1 0 412.446 0.695 20 0 HCADRO COC(=O)Cn1ncc(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1C ZINC000463990263 1075845816 /nfs/dbraw/zinc/84/58/16/1075845816.db2.gz ORRQBVYSJIEVQX-INIZCTEOSA-N 1 0 415.450 0.508 20 0 HCADRO COC(=O)Cn1ncc(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1C ZINC000463990264 1075845824 /nfs/dbraw/zinc/84/58/24/1075845824.db2.gz ORRQBVYSJIEVQX-MRXNPFEDSA-N 1 0 415.450 0.508 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](n4cccn4)C3)c2)CC1 ZINC000463992895 1075846587 /nfs/dbraw/zinc/84/65/87/1075846587.db2.gz OWNQEBGAKCAESS-IBGZPJMESA-N 1 0 424.505 0.993 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](n4cccn4)C3)c2)CC1 ZINC000463992896 1075846615 /nfs/dbraw/zinc/84/66/15/1075846615.db2.gz OWNQEBGAKCAESS-LJQANCHMSA-N 1 0 424.505 0.993 20 0 HCADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H](n4cccn4)C3)ccn2)CC1 ZINC000463994040 1075846774 /nfs/dbraw/zinc/84/67/74/1075846774.db2.gz IUICLJHAFNURFO-INIZCTEOSA-N 1 0 411.466 0.078 20 0 HCADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H](n4cccn4)C3)ccn2)CC1 ZINC000463994041 1075846805 /nfs/dbraw/zinc/84/68/05/1075846805.db2.gz IUICLJHAFNURFO-MRXNPFEDSA-N 1 0 411.466 0.078 20 0 HCADRO CCN(C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000463996957 1075847763 /nfs/dbraw/zinc/84/77/63/1075847763.db2.gz PKWXHFKAEKJWHC-GOSISDBHSA-N 1 0 404.511 0.889 20 0 HCADRO CCN(C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000463996958 1075847743 /nfs/dbraw/zinc/84/77/43/1075847743.db2.gz PKWXHFKAEKJWHC-SFHVURJKSA-N 1 0 404.511 0.889 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@@H](O)C3(C)C)cc2)CC1 ZINC000463997228 1075847545 /nfs/dbraw/zinc/84/75/45/1075847545.db2.gz QAMZLEBMNKJAQW-GOSISDBHSA-N 1 0 404.511 0.623 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@H](O)C3(C)C)cc2)CC1 ZINC000463997229 1075847502 /nfs/dbraw/zinc/84/75/02/1075847502.db2.gz QAMZLEBMNKJAQW-SFHVURJKSA-N 1 0 404.511 0.623 20 0 HCADRO COCC[C@H]1COCCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000464006853 1075849089 /nfs/dbraw/zinc/84/90/89/1075849089.db2.gz SPJHLBOFJAGDIE-IBGZPJMESA-N 1 0 404.511 0.636 20 0 HCADRO COCC[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000464006861 1075849096 /nfs/dbraw/zinc/84/90/96/1075849096.db2.gz SPJHLBOFJAGDIE-LJQANCHMSA-N 1 0 404.511 0.636 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCS(=O)(=O)C(C)(C)C3)cn2)CC1 ZINC000464008839 1075849270 /nfs/dbraw/zinc/84/92/70/1075849270.db2.gz YSPUPDPDUBITQD-UHFFFAOYSA-N 1 0 409.556 0.942 20 0 HCADRO COCC[C@H]1COCCN1C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000464015630 1075850892 /nfs/dbraw/zinc/85/08/92/1075850892.db2.gz NJRMKSIUTTXWRE-INIZCTEOSA-N 1 0 406.483 0.757 20 0 HCADRO COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000464015636 1075850863 /nfs/dbraw/zinc/85/08/63/1075850863.db2.gz NJRMKSIUTTXWRE-MRXNPFEDSA-N 1 0 406.483 0.757 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)cn1 ZINC000464017311 1075850823 /nfs/dbraw/zinc/85/08/23/1075850823.db2.gz FLIHZYOZFDYOHJ-UHFFFAOYSA-N 1 0 411.466 0.411 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cn(Cc3cccs3)nn2)cn1 ZINC000464018162 1075851227 /nfs/dbraw/zinc/85/12/27/1075851227.db2.gz IETCCMMRFOTOJP-UHFFFAOYSA-N 1 0 402.484 0.515 20 0 HCADRO C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)n1nnc(-c2ccccc2)n1 ZINC000464018770 1075851236 /nfs/dbraw/zinc/85/12/36/1075851236.db2.gz FNRPNEZWEPNSEA-AWEZNQCLSA-N 1 0 411.470 0.414 20 0 HCADRO C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)n1nnc(-c2ccccc2)n1 ZINC000464018771 1075851270 /nfs/dbraw/zinc/85/12/70/1075851270.db2.gz FNRPNEZWEPNSEA-CQSZACIVSA-N 1 0 411.470 0.414 20 0 HCADRO COCC[C@H]1COCCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000464019527 1075853260 /nfs/dbraw/zinc/85/32/60/1075853260.db2.gz KVWXTXMMPXQTRM-KRWDZBQOSA-N 1 0 406.483 0.779 20 0 HCADRO COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000464019528 1075853238 /nfs/dbraw/zinc/85/32/38/1075853238.db2.gz KVWXTXMMPXQTRM-QGZVFWFLSA-N 1 0 406.483 0.779 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2nccnc2NC(=O)C(C)(C)C)cn1 ZINC000464023445 1075853681 /nfs/dbraw/zinc/85/36/81/1075853681.db2.gz SITSLVOXSGWGFW-UHFFFAOYSA-N 1 0 416.486 0.588 20 0 HCADRO COCC[C@H]1COCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000464023714 1075853831 /nfs/dbraw/zinc/85/38/31/1075853831.db2.gz NILVBETXZJFMMX-HNNXBMFYSA-N 1 0 420.466 0.359 20 0 HCADRO COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000464023717 1075853811 /nfs/dbraw/zinc/85/38/11/1075853811.db2.gz NILVBETXZJFMMX-OAHLLOKOSA-N 1 0 420.466 0.359 20 0 HCADRO Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000464034357 1075852660 /nfs/dbraw/zinc/85/26/60/1075852660.db2.gz UNUULQYNWKCCBQ-UHFFFAOYSA-N 1 0 419.570 0.814 20 0 HCADRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)Nc2cn(C)c(=O)n(C)c2=O)cn1 ZINC000464051971 1075855709 /nfs/dbraw/zinc/85/57/09/1075855709.db2.gz WMPZABDWKVSKQU-MSOLQXFVSA-N 1 0 422.489 0.672 20 0 HCADRO O=C(Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000464100011 1075862762 /nfs/dbraw/zinc/86/27/62/1075862762.db2.gz DKLXDCWOFOQJHQ-GOSISDBHSA-N 1 0 407.434 0.806 20 0 HCADRO O=C(Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000464100012 1075862780 /nfs/dbraw/zinc/86/27/80/1075862780.db2.gz DKLXDCWOFOQJHQ-SFHVURJKSA-N 1 0 407.434 0.806 20 0 HCADRO COc1c(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cccc1C(N)=O ZINC000464102798 1075864705 /nfs/dbraw/zinc/86/47/05/1075864705.db2.gz BLCZNKPBMDERAZ-HNNXBMFYSA-N 1 0 412.446 0.938 20 0 HCADRO COc1c(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cccc1C(N)=O ZINC000464102799 1075864948 /nfs/dbraw/zinc/86/49/48/1075864948.db2.gz BLCZNKPBMDERAZ-OAHLLOKOSA-N 1 0 412.446 0.938 20 0 HCADRO COc1ncc(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1C(N)=O ZINC000464106557 1075865736 /nfs/dbraw/zinc/86/57/36/1075865736.db2.gz WTRWQUGXMOGCAP-HNNXBMFYSA-N 1 0 413.434 0.333 20 0 HCADRO COc1ncc(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1C(N)=O ZINC000464106558 1075865981 /nfs/dbraw/zinc/86/59/81/1075865981.db2.gz WTRWQUGXMOGCAP-OAHLLOKOSA-N 1 0 413.434 0.333 20 0 HCADRO NC(=O)COc1ccc(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1 ZINC000464108009 1075866248 /nfs/dbraw/zinc/86/62/48/1075866248.db2.gz NNRGNCJBXBUPRJ-KRWDZBQOSA-N 1 0 412.446 0.695 20 0 HCADRO NC(=O)COc1ccc(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1 ZINC000464108010 1075866232 /nfs/dbraw/zinc/86/62/32/1075866232.db2.gz NNRGNCJBXBUPRJ-QGZVFWFLSA-N 1 0 412.446 0.695 20 0 HCADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000464112495 1075866734 /nfs/dbraw/zinc/86/67/34/1075866734.db2.gz DUVFFCCEPYIGIG-HNNXBMFYSA-N 1 0 414.466 0.695 20 0 HCADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000464112496 1075866715 /nfs/dbraw/zinc/86/67/15/1075866715.db2.gz DUVFFCCEPYIGIG-OAHLLOKOSA-N 1 0 414.466 0.695 20 0 HCADRO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)Nc3cccc(C[N@@H+]4CC[C@H](O)C4)c3)cc21 ZINC000464114205 1075867199 /nfs/dbraw/zinc/86/71/99/1075867199.db2.gz BYMVKAMOESIDHI-HNNXBMFYSA-N 1 0 422.445 0.806 20 0 HCADRO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)Nc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)cc21 ZINC000464114206 1075867143 /nfs/dbraw/zinc/86/71/43/1075867143.db2.gz BYMVKAMOESIDHI-OAHLLOKOSA-N 1 0 422.445 0.806 20 0 HCADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCC(F)(F)[C@@H](CO)C3)cn2)CC1 ZINC000464115982 1075864070 /nfs/dbraw/zinc/86/40/70/1075864070.db2.gz QEYMWMUOVOHQHI-CYBMUJFWSA-N 1 0 412.437 0.969 20 0 HCADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCC(F)(F)[C@H](CO)C3)cn2)CC1 ZINC000464115983 1075864022 /nfs/dbraw/zinc/86/40/22/1075864022.db2.gz QEYMWMUOVOHQHI-ZDUSSCGKSA-N 1 0 412.437 0.969 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000464120228 1075864495 /nfs/dbraw/zinc/86/44/95/1075864495.db2.gz DGAGPZOHEXVVPA-BBWFWOEESA-N 1 0 416.526 0.283 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000464120229 1075864563 /nfs/dbraw/zinc/86/45/63/1075864563.db2.gz DGAGPZOHEXVVPA-BRWVUGGUSA-N 1 0 416.526 0.283 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000464120230 1075864550 /nfs/dbraw/zinc/86/45/50/1075864550.db2.gz DGAGPZOHEXVVPA-GVDBMIGSSA-N 1 0 416.526 0.283 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000464120231 1075864508 /nfs/dbraw/zinc/86/45/08/1075864508.db2.gz DGAGPZOHEXVVPA-ZACQAIPSSA-N 1 0 416.526 0.283 20 0 HCADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000464122491 1075868354 /nfs/dbraw/zinc/86/83/54/1075868354.db2.gz MUCPPTUQZHHFQS-HNNXBMFYSA-N 1 0 415.450 0.741 20 0 HCADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000464122492 1075868385 /nfs/dbraw/zinc/86/83/85/1075868385.db2.gz MUCPPTUQZHHFQS-OAHLLOKOSA-N 1 0 415.450 0.741 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000464126227 1075869263 /nfs/dbraw/zinc/86/92/63/1075869263.db2.gz CBGABHIZFXBKDI-CYBMUJFWSA-N 1 0 412.437 0.991 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000464126231 1075869218 /nfs/dbraw/zinc/86/92/18/1075869218.db2.gz CBGABHIZFXBKDI-ZDUSSCGKSA-N 1 0 412.437 0.991 20 0 HCADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000464127713 1075869699 /nfs/dbraw/zinc/86/96/99/1075869699.db2.gz YYOXXAAYXLEEIG-OAHLLOKOSA-N 1 0 415.450 0.741 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cccc(OCC(N)=O)c2)CC1=O ZINC000464165719 1075872715 /nfs/dbraw/zinc/87/27/15/1075872715.db2.gz FCGAXLHLTRDKJB-DLBZAZTESA-N 1 0 402.495 0.500 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cccc(OCC(N)=O)c2)CC1=O ZINC000464165725 1075872664 /nfs/dbraw/zinc/87/26/64/1075872664.db2.gz FCGAXLHLTRDKJB-IAGOWNOFSA-N 1 0 402.495 0.500 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cccc(OCC(N)=O)c2)CC1=O ZINC000464165726 1075872703 /nfs/dbraw/zinc/87/27/03/1075872703.db2.gz FCGAXLHLTRDKJB-IRXDYDNUSA-N 1 0 402.495 0.500 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2cccc(OCC(N)=O)c2)CC1=O ZINC000464165727 1075872737 /nfs/dbraw/zinc/87/27/37/1075872737.db2.gz FCGAXLHLTRDKJB-SJORKVTESA-N 1 0 402.495 0.500 20 0 HCADRO CC1(C)CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCS1(=O)=O ZINC000464206789 1075877388 /nfs/dbraw/zinc/87/73/88/1075877388.db2.gz HKLNJOFCTMMBLQ-UHFFFAOYSA-N 1 0 424.571 0.597 20 0 HCADRO COCC[C@@H]1COCCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000464208808 1075877592 /nfs/dbraw/zinc/87/75/92/1075877592.db2.gz LNCLYYYOIMZCSG-GOSISDBHSA-N 1 0 406.531 0.826 20 0 HCADRO COCC[C@H]1COCCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000464208809 1075877713 /nfs/dbraw/zinc/87/77/13/1075877713.db2.gz LNCLYYYOIMZCSG-SFHVURJKSA-N 1 0 406.531 0.826 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000464215244 1075878319 /nfs/dbraw/zinc/87/83/19/1075878319.db2.gz AZNNQGSNIGAPOL-KRWDZBQOSA-N 1 0 421.517 0.620 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000464215245 1075878387 /nfs/dbraw/zinc/87/83/87/1075878387.db2.gz AZNNQGSNIGAPOL-QGZVFWFLSA-N 1 0 421.517 0.620 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000464217879 1075880711 /nfs/dbraw/zinc/88/07/11/1075880711.db2.gz JEKBYWZBXPOSCB-UHFFFAOYSA-N 1 0 410.540 0.697 20 0 HCADRO CCC1(CC)CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CCS1(=O)=O ZINC000464220144 1075880827 /nfs/dbraw/zinc/88/08/27/1075880827.db2.gz UBBQNBHUOTWPON-UHFFFAOYSA-N 1 0 418.604 0.375 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCS(=O)(=O)CC3)c2)C1 ZINC000464229194 1075879631 /nfs/dbraw/zinc/87/96/31/1075879631.db2.gz GPCPYBIYBQXOTF-KRWDZBQOSA-N 1 0 408.524 0.324 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCS(=O)(=O)CC3)c2)C1 ZINC000464229195 1075879664 /nfs/dbraw/zinc/87/96/64/1075879664.db2.gz GPCPYBIYBQXOTF-QGZVFWFLSA-N 1 0 408.524 0.324 20 0 HCADRO CC1(C)CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCS1(=O)=O ZINC000464243570 1075882700 /nfs/dbraw/zinc/88/27/00/1075882700.db2.gz VQSCMILBFNKTPG-UHFFFAOYSA-N 1 0 409.556 0.812 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000464249711 1075883481 /nfs/dbraw/zinc/88/34/81/1075883481.db2.gz JZVVJGDCDVZCQU-INIZCTEOSA-N 1 0 414.572 0.717 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000464249712 1075883453 /nfs/dbraw/zinc/88/34/53/1075883453.db2.gz JZVVJGDCDVZCQU-MRXNPFEDSA-N 1 0 414.572 0.717 20 0 HCADRO CCC1(CC)CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCS1(=O)=O ZINC000464253528 1075881817 /nfs/dbraw/zinc/88/18/17/1075881817.db2.gz VPIGKINAXZWCKY-HNNXBMFYSA-N 1 0 402.561 0.573 20 0 HCADRO CCC1(CC)CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCS1(=O)=O ZINC000464253529 1075882018 /nfs/dbraw/zinc/88/20/18/1075882018.db2.gz VPIGKINAXZWCKY-OAHLLOKOSA-N 1 0 402.561 0.573 20 0 HCADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464338386 1075889873 /nfs/dbraw/zinc/88/98/73/1075889873.db2.gz FRZOHXHQLAZBRO-AWEZNQCLSA-N 1 0 422.507 0.623 20 0 HCADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464338387 1075889861 /nfs/dbraw/zinc/88/98/61/1075889861.db2.gz FRZOHXHQLAZBRO-CQSZACIVSA-N 1 0 422.507 0.623 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000464357291 1075891093 /nfs/dbraw/zinc/89/10/93/1075891093.db2.gz CQLXJARBKZBMNP-KRWDZBQOSA-N 1 0 400.458 0.998 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000464357292 1075891073 /nfs/dbraw/zinc/89/10/73/1075891073.db2.gz CQLXJARBKZBMNP-QGZVFWFLSA-N 1 0 400.458 0.998 20 0 HCADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000464383879 1075891733 /nfs/dbraw/zinc/89/17/33/1075891733.db2.gz DBTMTHBXIWKUSK-UHFFFAOYSA-N 1 0 416.588 0.832 20 0 HCADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000465395308 1077358295 /nfs/dbraw/zinc/35/82/95/1077358295.db2.gz BPKFUFROERNCMZ-MOPGFXCFSA-N 1 0 409.575 0.539 20 0 HCADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000465395309 1077358252 /nfs/dbraw/zinc/35/82/52/1077358252.db2.gz BPKFUFROERNCMZ-OALUTQOASA-N 1 0 409.575 0.539 20 0 HCADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000465395310 1077358227 /nfs/dbraw/zinc/35/82/27/1077358227.db2.gz BPKFUFROERNCMZ-RBUKOAKNSA-N 1 0 409.575 0.539 20 0 HCADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000465395311 1077358305 /nfs/dbraw/zinc/35/83/05/1077358305.db2.gz BPKFUFROERNCMZ-RTBURBONSA-N 1 0 409.575 0.539 20 0 HCADRO COC(=O)[C@H](C)CS(=O)(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000465395505 1077358267 /nfs/dbraw/zinc/35/82/67/1077358267.db2.gz AXKIHAAMNOCRMW-PBHICJAKSA-N 1 0 411.524 0.612 20 0 HCADRO COC(=O)[C@H](C)CS(=O)(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000465395506 1077358178 /nfs/dbraw/zinc/35/81/78/1077358178.db2.gz AXKIHAAMNOCRMW-RHSMWYFYSA-N 1 0 411.524 0.612 20 0 HCADRO COC(=O)[C@@H](C)CS(=O)(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000465395507 1077358276 /nfs/dbraw/zinc/35/82/76/1077358276.db2.gz AXKIHAAMNOCRMW-WMLDXEAASA-N 1 0 411.524 0.612 20 0 HCADRO COC(=O)[C@@H](C)CS(=O)(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000465395508 1077358192 /nfs/dbraw/zinc/35/81/92/1077358192.db2.gz AXKIHAAMNOCRMW-YOEHRIQHSA-N 1 0 411.524 0.612 20 0 HCADRO COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000465406227 1077459485 /nfs/dbraw/zinc/45/94/85/1077459485.db2.gz KQXXTOKWWIHJOI-AWEZNQCLSA-N 1 0 405.561 0.541 20 0 HCADRO COC(=O)[C@H](C)CS(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000465406248 1077459202 /nfs/dbraw/zinc/45/92/02/1077459202.db2.gz KQXXTOKWWIHJOI-CQSZACIVSA-N 1 0 405.561 0.541 20 0 HCADRO COc1ccc([C@@H](CNC(=O)NC[C@@](C)(O)CN2CCOCC2)[NH+](C)C)cc1OC ZINC000465407621 1077473698 /nfs/dbraw/zinc/47/36/98/1077473698.db2.gz VLPDVQLWHGICPY-DYESRHJHSA-N 1 0 424.542 0.689 20 0 HCADRO COc1ccc([C@H](CNC(=O)NC[C@@](C)(O)CN2CCOCC2)[NH+](C)C)cc1OC ZINC000465407622 1077473928 /nfs/dbraw/zinc/47/39/28/1077473928.db2.gz VLPDVQLWHGICPY-LAUBAEHRSA-N 1 0 424.542 0.689 20 0 HCADRO COc1ccc([C@@H](CNC(=O)NC[C@](C)(O)CN2CCOCC2)[NH+](C)C)cc1OC ZINC000465407623 1077473384 /nfs/dbraw/zinc/47/33/84/1077473384.db2.gz VLPDVQLWHGICPY-UTKZUKDTSA-N 1 0 424.542 0.689 20 0 HCADRO COc1ccc([C@H](CNC(=O)NC[C@](C)(O)CN2CCOCC2)[NH+](C)C)cc1OC ZINC000465407624 1077473463 /nfs/dbraw/zinc/47/34/63/1077473463.db2.gz VLPDVQLWHGICPY-UWJYYQICSA-N 1 0 424.542 0.689 20 0 HCADRO CC(=O)NCCNC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000465410214 1077538128 /nfs/dbraw/zinc/53/81/28/1077538128.db2.gz MXFHARUBRCKJQF-UHFFFAOYSA-N 1 0 403.527 0.792 20 0 HCADRO Cc1nc2sccn2c1C[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000465410456 1077529463 /nfs/dbraw/zinc/52/94/63/1077529463.db2.gz XIXREBNYBGEIQM-UHFFFAOYSA-N 1 0 401.496 0.973 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1 ZINC000465418023 1077573068 /nfs/dbraw/zinc/57/30/68/1077573068.db2.gz AESMIXZIWUNAOK-UHFFFAOYSA-N 1 0 424.523 0.551 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)c(OCC[NH+](C)C)c1 ZINC000465418975 1077577230 /nfs/dbraw/zinc/57/72/30/1077577230.db2.gz FANTYIUVQIZHMT-UHFFFAOYSA-N 1 0 411.524 0.910 20 0 HCADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000465419554 1077573933 /nfs/dbraw/zinc/57/39/33/1077573933.db2.gz GHJZIRYNOSSFDO-DOTOQJQBSA-N 1 0 410.540 0.563 20 0 HCADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000465419705 1077573353 /nfs/dbraw/zinc/57/33/53/1077573353.db2.gz GHJZIRYNOSSFDO-NVXWUHKLSA-N 1 0 410.540 0.563 20 0 HCADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000465419706 1077573435 /nfs/dbraw/zinc/57/34/35/1077573435.db2.gz GHJZIRYNOSSFDO-RDJZCZTQSA-N 1 0 410.540 0.563 20 0 HCADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000465419707 1077573518 /nfs/dbraw/zinc/57/35/18/1077573518.db2.gz GHJZIRYNOSSFDO-WBVHZDCISA-N 1 0 410.540 0.563 20 0 HCADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000465423203 1077594903 /nfs/dbraw/zinc/59/49/03/1077594903.db2.gz QKZGMHDVSHSOHR-CVEARBPZSA-N 1 0 410.540 0.829 20 0 HCADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000465423204 1077594818 /nfs/dbraw/zinc/59/48/18/1077594818.db2.gz QKZGMHDVSHSOHR-HOTGVXAUSA-N 1 0 410.540 0.829 20 0 HCADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000465423205 1077595001 /nfs/dbraw/zinc/59/50/01/1077595001.db2.gz QKZGMHDVSHSOHR-HZPDHXFCSA-N 1 0 410.540 0.829 20 0 HCADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000465423206 1077595049 /nfs/dbraw/zinc/59/50/49/1077595049.db2.gz QKZGMHDVSHSOHR-JKSUJKDBSA-N 1 0 410.540 0.829 20 0 HCADRO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc(Br)cc1S(N)(=O)=O ZINC000465424478 1077605975 /nfs/dbraw/zinc/60/59/75/1077605975.db2.gz BTMRFAYFUWKGTQ-GFCCVEGCSA-N 1 0 419.345 0.381 20 0 HCADRO Cc1c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc(Br)cc1S(N)(=O)=O ZINC000465424479 1077606942 /nfs/dbraw/zinc/60/69/42/1077606942.db2.gz BTMRFAYFUWKGTQ-LBPRGKRZSA-N 1 0 419.345 0.381 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCS(=O)(=O)C(C)(C)C3)c2)CC1 ZINC000465428266 1077626140 /nfs/dbraw/zinc/62/61/40/1077626140.db2.gz ZQAIOWMLWIASAJ-UHFFFAOYSA-N 1 0 422.551 0.408 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)C1 ZINC000465430022 1077628914 /nfs/dbraw/zinc/62/89/14/1077628914.db2.gz PRQWCXZQSZEQAI-GFCCVEGCSA-N 1 0 420.329 0.855 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)C1 ZINC000465430023 1077629242 /nfs/dbraw/zinc/62/92/42/1077629242.db2.gz PRQWCXZQSZEQAI-LBPRGKRZSA-N 1 0 420.329 0.855 20 0 HCADRO Cn1nc2c(cc1=O)CN(C(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000465430203 1077628586 /nfs/dbraw/zinc/62/85/86/1077628586.db2.gz YKXACDAHNUTNCS-UHFFFAOYSA-N 1 0 410.522 0.666 20 0 HCADRO Cc1c(C(=O)NCC2(O)CC[NH+](C)CC2)cc(Br)cc1S(N)(=O)=O ZINC000465435322 1077638327 /nfs/dbraw/zinc/63/83/27/1077638327.db2.gz AEEVNWWVCUFURS-UHFFFAOYSA-N 1 0 420.329 0.591 20 0 HCADRO COc1cccc([C@@H](CNC(=O)N2CCN(c3nccn(C)c3=O)CC2)[NH+](C)C)c1 ZINC000465437953 1077644018 /nfs/dbraw/zinc/64/40/18/1077644018.db2.gz WZFBDCBMCDABSF-GOSISDBHSA-N 1 0 414.510 0.923 20 0 HCADRO COc1cccc([C@H](CNC(=O)N2CCN(c3nccn(C)c3=O)CC2)[NH+](C)C)c1 ZINC000465437954 1077643947 /nfs/dbraw/zinc/64/39/47/1077643947.db2.gz WZFBDCBMCDABSF-SFHVURJKSA-N 1 0 414.510 0.923 20 0 HCADRO C[C@@](O)(CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)CN1CCOCC1 ZINC000465439076 1077644635 /nfs/dbraw/zinc/64/46/35/1077644635.db2.gz YHRVVUDVGZUBNR-JOCHJYFZSA-N 1 0 419.570 0.187 20 0 HCADRO C[C@](O)(CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)CN1CCOCC1 ZINC000465439078 1077645237 /nfs/dbraw/zinc/64/52/37/1077645237.db2.gz YHRVVUDVGZUBNR-QFIPXVFZSA-N 1 0 419.570 0.187 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000465448654 1077655561 /nfs/dbraw/zinc/65/55/61/1077655561.db2.gz ULYCOJGEHZMEHR-INIZCTEOSA-N 1 0 411.572 0.449 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000465448655 1077655505 /nfs/dbraw/zinc/65/55/05/1077655505.db2.gz ULYCOJGEHZMEHR-MRXNPFEDSA-N 1 0 411.572 0.449 20 0 HCADRO COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000465453439 1077667192 /nfs/dbraw/zinc/66/71/92/1077667192.db2.gz QZBXMFDEKNOOPK-HNNXBMFYSA-N 1 0 403.545 0.439 20 0 HCADRO COC(=O)[C@H](C)CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000465453440 1077667011 /nfs/dbraw/zinc/66/70/11/1077667011.db2.gz QZBXMFDEKNOOPK-OAHLLOKOSA-N 1 0 403.545 0.439 20 0 HCADRO CC(C)[NH+](CCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(C)C ZINC000465457350 1077680952 /nfs/dbraw/zinc/68/09/52/1077680952.db2.gz OBFOZMGIZLNEES-UHFFFAOYSA-N 1 0 401.533 0.950 20 0 HCADRO Cn1c2ccc(S(=O)(=O)N3CCC(OCCC[NH+](C)C)CC3)cc2n(C)c1=O ZINC000465474174 1077763848 /nfs/dbraw/zinc/76/38/48/1077763848.db2.gz OTTBOXQIQQFKTI-UHFFFAOYSA-N 1 0 410.540 0.998 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000465475830 1077766491 /nfs/dbraw/zinc/76/64/91/1077766491.db2.gz YIUGYMGJQNTBPL-CYBMUJFWSA-N 1 0 403.574 0.468 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000465475855 1077764379 /nfs/dbraw/zinc/76/43/79/1077764379.db2.gz YIUGYMGJQNTBPL-ZDUSSCGKSA-N 1 0 403.574 0.468 20 0 HCADRO C[C@@H](CNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C[NH+]1CCN(C)CC1 ZINC000465478836 1077784269 /nfs/dbraw/zinc/78/42/69/1077784269.db2.gz RQKUSWIXLNEWER-INIZCTEOSA-N 1 0 408.547 0.424 20 0 HCADRO C[C@H](CNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C[NH+]1CCN(C)CC1 ZINC000465478837 1077784351 /nfs/dbraw/zinc/78/43/51/1077784351.db2.gz RQKUSWIXLNEWER-MRXNPFEDSA-N 1 0 408.547 0.424 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000465481155 1077807776 /nfs/dbraw/zinc/80/77/76/1077807776.db2.gz YISIRMMPNJPNHA-INIZCTEOSA-N 1 0 409.531 0.993 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000465481156 1077807753 /nfs/dbraw/zinc/80/77/53/1077807753.db2.gz YISIRMMPNJPNHA-MRXNPFEDSA-N 1 0 409.531 0.993 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000465482748 1077807351 /nfs/dbraw/zinc/80/73/51/1077807351.db2.gz ZJTQOFXXPGVUIK-KRWDZBQOSA-N 1 0 422.574 0.814 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000465482749 1077807284 /nfs/dbraw/zinc/80/72/84/1077807284.db2.gz ZJTQOFXXPGVUIK-QGZVFWFLSA-N 1 0 422.574 0.814 20 0 HCADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465491372 1077843507 /nfs/dbraw/zinc/84/35/07/1077843507.db2.gz KNJDJASTYKAGHA-UHFFFAOYSA-N 1 0 405.542 0.455 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(S(=O)(=O)NC)s2)CC1 ZINC000465491386 1077843485 /nfs/dbraw/zinc/84/34/85/1077843485.db2.gz CLPHHQHREPUIDX-AWEZNQCLSA-N 1 0 417.601 0.729 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(S(=O)(=O)NC)s2)CC1 ZINC000465491397 1077843525 /nfs/dbraw/zinc/84/35/25/1077843525.db2.gz CLPHHQHREPUIDX-CQSZACIVSA-N 1 0 417.601 0.729 20 0 HCADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000465491553 1077842086 /nfs/dbraw/zinc/84/20/86/1077842086.db2.gz LNMAOTIPQKBMES-UHFFFAOYSA-N 1 0 410.496 0.338 20 0 HCADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)s1 ZINC000465497628 1077880515 /nfs/dbraw/zinc/88/05/15/1077880515.db2.gz WKRHSWPSNVDJBT-CYBMUJFWSA-N 1 0 403.574 0.339 20 0 HCADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)s1 ZINC000465497629 1077880460 /nfs/dbraw/zinc/88/04/60/1077880460.db2.gz WKRHSWPSNVDJBT-ZDUSSCGKSA-N 1 0 403.574 0.339 20 0 HCADRO COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000465500309 1077893876 /nfs/dbraw/zinc/89/38/76/1077893876.db2.gz KNIVJDBWDYQUQE-INIZCTEOSA-N 1 0 413.540 0.888 20 0 HCADRO COC(=O)[C@H](C)CS(=O)(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000465500311 1077893947 /nfs/dbraw/zinc/89/39/47/1077893947.db2.gz KNIVJDBWDYQUQE-MRXNPFEDSA-N 1 0 413.540 0.888 20 0 HCADRO C[C@@H](CNC(=O)NCc1ccccc1S(=O)(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000465502127 1077896037 /nfs/dbraw/zinc/89/60/37/1077896037.db2.gz AQSDGTQXDLJPKQ-INIZCTEOSA-N 1 0 411.572 0.620 20 0 HCADRO C[C@H](CNC(=O)NCc1ccccc1S(=O)(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000465502128 1077896019 /nfs/dbraw/zinc/89/60/19/1077896019.db2.gz AQSDGTQXDLJPKQ-MRXNPFEDSA-N 1 0 411.572 0.620 20 0 HCADRO Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000465504817 1077898249 /nfs/dbraw/zinc/89/82/49/1077898249.db2.gz ZNTCHQCOYHVYBS-UHFFFAOYSA-N 1 0 408.528 0.999 20 0 HCADRO CC[NH+](CC)CCOC1CCN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000465506318 1077912109 /nfs/dbraw/zinc/91/21/09/1077912109.db2.gz PWDLERSKVDLVOS-UHFFFAOYSA-N 1 0 404.577 0.943 20 0 HCADRO CNS(=O)(=O)c1ccc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)s1 ZINC000465507577 1077917129 /nfs/dbraw/zinc/91/71/29/1077917129.db2.gz DITDKAHHYNHRIK-CYBMUJFWSA-N 1 0 404.558 0.908 20 0 HCADRO CNS(=O)(=O)c1ccc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)s1 ZINC000465507578 1077917006 /nfs/dbraw/zinc/91/70/06/1077917006.db2.gz DITDKAHHYNHRIK-ZDUSSCGKSA-N 1 0 404.558 0.908 20 0 HCADRO CS(=O)(=O)N1CCC(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000465508468 1077946166 /nfs/dbraw/zinc/94/61/66/1077946166.db2.gz MJMGAYUCGADTRL-UHFFFAOYSA-N 1 0 402.561 0.697 20 0 HCADRO C[C@@H](CNC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000465509117 1077948586 /nfs/dbraw/zinc/94/85/86/1077948586.db2.gz SJXBXUGKGMFCFU-AZUAARDMSA-N 1 0 416.570 0.424 20 0 HCADRO C[C@@H](CNC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)C[NH+]1CCN(C)CC1 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412.494 0.697 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)NC3CCC(S(C)(=O)=O)CC3)ccn2)CC1 ZINC000465518237 1078054565 /nfs/dbraw/zinc/05/45/65/1078054565.db2.gz RBZGZZJWSKFGGR-UHFFFAOYSA-N 1 0 409.556 0.988 20 0 HCADRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC[N@@H+]1C ZINC000465520697 1078060430 /nfs/dbraw/zinc/06/04/30/1078060430.db2.gz QOVYDXYGTWMAKH-CRAIPNDOSA-N 1 0 401.511 0.883 20 0 HCADRO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC[N@@H+]1C ZINC000465520698 1078060532 /nfs/dbraw/zinc/06/05/32/1078060532.db2.gz QOVYDXYGTWMAKH-MAUKXSAKSA-N 1 0 401.511 0.883 20 0 HCADRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC[N@@H+]1C ZINC000465520699 1078060337 /nfs/dbraw/zinc/06/03/37/1078060337.db2.gz QOVYDXYGTWMAKH-QAPCUYQASA-N 1 0 401.511 0.883 20 0 HCADRO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC[N@@H+]1C ZINC000465520700 1078060367 /nfs/dbraw/zinc/06/03/67/1078060367.db2.gz QOVYDXYGTWMAKH-YJBOKZPZSA-N 1 0 401.511 0.883 20 0 HCADRO 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CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@](C)(O)CN3CCOCC3)cn2)CC1 ZINC000465541728 1078198719 /nfs/dbraw/zinc/19/87/19/1078198719.db2.gz JQZYBWKWUUAANR-NRFANRHFSA-N 1 0 420.558 0.106 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)CN3CCOCC3)cn2)CC1 ZINC000465541729 1078199610 /nfs/dbraw/zinc/19/96/10/1078199610.db2.gz JQZYBWKWUUAANR-OAQYLSRUSA-N 1 0 420.558 0.106 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000465543240 1078210634 /nfs/dbraw/zinc/21/06/34/1078210634.db2.gz NCVVEUANZNYXRE-KRWDZBQOSA-N 1 0 424.571 0.317 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000465543247 1078210433 /nfs/dbraw/zinc/21/04/33/1078210433.db2.gz NCVVEUANZNYXRE-QGZVFWFLSA-N 1 0 424.571 0.317 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000465544534 1078215097 /nfs/dbraw/zinc/21/50/97/1078215097.db2.gz MJVSZJPNRIDFLC-IBGZPJMESA-N 1 0 411.591 0.833 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000465544536 1078215370 /nfs/dbraw/zinc/21/53/70/1078215370.db2.gz MJVSZJPNRIDFLC-LJQANCHMSA-N 1 0 411.591 0.833 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCc4nn(C)c(=O)cc4C3)cn2)CC1 ZINC000465544816 1078210891 /nfs/dbraw/zinc/21/08/91/1078210891.db2.gz QMZPJFAHAJRASJ-UHFFFAOYSA-N 1 0 411.510 0.585 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000465545755 1078230418 /nfs/dbraw/zinc/23/04/18/1078230418.db2.gz QLEHCOSQDPTBMJ-UHFFFAOYSA-N 1 0 408.591 0.446 20 0 HCADRO C[C@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000465546791 1078306913 /nfs/dbraw/zinc/30/69/13/1078306913.db2.gz LAYCIOUIJAJIDX-DLBZAZTESA-N 1 0 424.571 0.315 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000465546792 1078306981 /nfs/dbraw/zinc/30/69/81/1078306981.db2.gz LAYCIOUIJAJIDX-IAGOWNOFSA-N 1 0 424.571 0.315 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000465546793 1078307027 /nfs/dbraw/zinc/30/70/27/1078307027.db2.gz 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C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000465554864 1079035850 /nfs/dbraw/zinc/03/58/50/1079035850.db2.gz VIKQUMYHTSDXKC-LJQANCHMSA-N 1 0 417.554 0.992 20 0 HCADRO COc1ccc(C[C@H](CO)CNC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1O ZINC000465555543 1079167535 /nfs/dbraw/zinc/16/75/35/1079167535.db2.gz KMEVLZRCKWRZDL-KRWDZBQOSA-N 1 0 408.543 0.877 20 0 HCADRO COc1ccc(C[C@@H](CO)CNC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1O ZINC000465555544 1079167574 /nfs/dbraw/zinc/16/75/74/1079167574.db2.gz KMEVLZRCKWRZDL-QGZVFWFLSA-N 1 0 408.543 0.877 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000465555971 1079133225 /nfs/dbraw/zinc/13/32/25/1079133225.db2.gz MWPKDJTWVQUBDE-UHFFFAOYSA-N 1 0 418.542 0.136 20 0 HCADRO Cn1nc2c(cc1=O)CN(C(=O)NCc1ccc(CN3CC[NH+](C)CC3)cc1)CC2 ZINC000465556014 1079236689 /nfs/dbraw/zinc/23/66/89/1079236689.db2.gz NKHMTCKAPOALQW-UHFFFAOYSA-N 1 0 410.522 0.796 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000465556701 1079223731 /nfs/dbraw/zinc/22/37/31/1079223731.db2.gz ULXZBGSBIZWHMB-KRWDZBQOSA-N 1 0 404.577 0.943 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000465556702 1079223805 /nfs/dbraw/zinc/22/38/05/1079223805.db2.gz ULXZBGSBIZWHMB-QGZVFWFLSA-N 1 0 404.577 0.943 20 0 HCADRO Cn1ccnc(N2CCN(C(=O)NCc3cccc(OCC[NH+](C)C)c3)CC2)c1=O ZINC000465560337 1078689116 /nfs/dbraw/zinc/68/91/16/1078689116.db2.gz AHGXUFMYJKHKBH-UHFFFAOYSA-N 1 0 414.510 0.753 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465561230 1078855293 /nfs/dbraw/zinc/85/52/93/1078855293.db2.gz BWAJEOQWBHLDDB-CVEARBPZSA-N 1 0 411.572 0.968 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465561232 1078855348 /nfs/dbraw/zinc/85/53/48/1078855348.db2.gz BWAJEOQWBHLDDB-HOTGVXAUSA-N 1 0 411.572 0.968 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465561234 1078855278 /nfs/dbraw/zinc/85/52/78/1078855278.db2.gz BWAJEOQWBHLDDB-HZPDHXFCSA-N 1 0 411.572 0.968 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465561236 1078855372 /nfs/dbraw/zinc/85/53/72/1078855372.db2.gz BWAJEOQWBHLDDB-JKSUJKDBSA-N 1 0 411.572 0.968 20 0 HCADRO Cn1ccnc(N2CCN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)CC2)c1=O ZINC000465561280 1078854349 /nfs/dbraw/zinc/85/43/49/1078854349.db2.gz DICJYNWKQCJALT-UHFFFAOYSA-N 1 0 411.510 0.672 20 0 HCADRO Cn1ccnc(N2CCN(C(=O)NCc3ccc(OCC[NH+](C)C)cc3)CC2)c1=O ZINC000465561983 1078820619 /nfs/dbraw/zinc/82/06/19/1078820619.db2.gz FXGKAJDQPNQFHK-UHFFFAOYSA-N 1 0 414.510 0.753 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000465562087 1078870002 /nfs/dbraw/zinc/87/00/02/1078870002.db2.gz DFHARSMQDMLKHT-KRWDZBQOSA-N 1 0 411.572 0.538 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000465562088 1078869909 /nfs/dbraw/zinc/86/99/09/1078869909.db2.gz DFHARSMQDMLKHT-QGZVFWFLSA-N 1 0 411.572 0.538 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCNC(=O)c2cccc(OC)c2)CC1 ZINC000465564040 1079023671 /nfs/dbraw/zinc/02/36/71/1079023671.db2.gz DHLNYSKBUQQZJS-KRWDZBQOSA-N 1 0 405.543 0.998 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCNC(=O)c2cccc(OC)c2)CC1 ZINC000465564041 1079023484 /nfs/dbraw/zinc/02/34/84/1079023484.db2.gz DHLNYSKBUQQZJS-QGZVFWFLSA-N 1 0 405.543 0.998 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000465564371 1078994726 /nfs/dbraw/zinc/99/47/26/1078994726.db2.gz HRWYDPBRGWSBJK-INIZCTEOSA-N 1 0 403.593 0.373 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000465564372 1078994562 /nfs/dbraw/zinc/99/45/62/1078994562.db2.gz HRWYDPBRGWSBJK-MRXNPFEDSA-N 1 0 403.593 0.373 20 0 HCADRO C[C@H]1C[C@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@@H+]1C ZINC000465565602 1079026231 /nfs/dbraw/zinc/02/62/31/1079026231.db2.gz DXJHCBFSXJTVAJ-DOTOQJQBSA-N 1 0 410.540 0.989 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@@H+]1C ZINC000465565604 1079026312 /nfs/dbraw/zinc/02/63/12/1079026312.db2.gz DXJHCBFSXJTVAJ-NVXWUHKLSA-N 1 0 410.540 0.989 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@@H+]1C ZINC000465565606 1079026201 /nfs/dbraw/zinc/02/62/01/1079026201.db2.gz DXJHCBFSXJTVAJ-RDJZCZTQSA-N 1 0 410.540 0.989 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@@H+]1C ZINC000465565608 1079026241 /nfs/dbraw/zinc/02/62/41/1079026241.db2.gz DXJHCBFSXJTVAJ-WBVHZDCISA-N 1 0 410.540 0.989 20 0 HCADRO CCC(CC)[C@H](CNC(=O)NC[C@@](C)(O)CN1CCOCC1)[NH+]1CCOCC1 ZINC000465565945 1079024380 /nfs/dbraw/zinc/02/43/80/1079024380.db2.gz KVIWJEFTQFPETF-AZUAARDMSA-N 1 0 400.564 0.506 20 0 HCADRO CCC(CC)[C@H](CNC(=O)NC[C@](C)(O)CN1CCOCC1)[NH+]1CCOCC1 ZINC000465565946 1079024423 /nfs/dbraw/zinc/02/44/23/1079024423.db2.gz KVIWJEFTQFPETF-ICSRJNTNSA-N 1 0 400.564 0.506 20 0 HCADRO CCC(CC)[C@@H](CNC(=O)NC[C@](C)(O)CN1CCOCC1)[NH+]1CCOCC1 ZINC000465565947 1079025037 /nfs/dbraw/zinc/02/50/37/1079025037.db2.gz KVIWJEFTQFPETF-QUCCMNQESA-N 1 0 400.564 0.506 20 0 HCADRO CCC(CC)[C@@H](CNC(=O)NC[C@@](C)(O)CN1CCOCC1)[NH+]1CCOCC1 ZINC000465565948 1079024817 /nfs/dbraw/zinc/02/48/17/1079024817.db2.gz KVIWJEFTQFPETF-UYAOXDASSA-N 1 0 400.564 0.506 20 0 HCADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000465566999 1079028016 /nfs/dbraw/zinc/02/80/16/1079028016.db2.gz IWIVHYASEMAOTO-INIZCTEOSA-N 1 0 424.567 0.761 20 0 HCADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000465567800 1079032973 /nfs/dbraw/zinc/03/29/73/1079032973.db2.gz IWIVHYASEMAOTO-MRXNPFEDSA-N 1 0 424.567 0.761 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000465568201 1079040581 /nfs/dbraw/zinc/04/05/81/1079040581.db2.gz HVCPLPAPTKUBTI-KRWDZBQOSA-N 1 0 411.572 0.456 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000465568202 1079040656 /nfs/dbraw/zinc/04/06/56/1079040656.db2.gz HVCPLPAPTKUBTI-QGZVFWFLSA-N 1 0 411.572 0.456 20 0 HCADRO CC(C)[C@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000465569508 1079045113 /nfs/dbraw/zinc/04/51/13/1079045113.db2.gz FQDBGCYYUQQISE-HKUYNNGSSA-N 1 0 408.591 0.253 20 0 HCADRO CC(C)[C@@H](CNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000465569512 1079045193 /nfs/dbraw/zinc/04/51/93/1079045193.db2.gz FQDBGCYYUQQISE-IEBWSBKVSA-N 1 0 408.591 0.253 20 0 HCADRO CC(C)[C@H](CNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000465569515 1079045216 /nfs/dbraw/zinc/04/52/16/1079045216.db2.gz FQDBGCYYUQQISE-MJGOQNOKSA-N 1 0 408.591 0.253 20 0 HCADRO CC(C)[C@@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000465569518 1079045652 /nfs/dbraw/zinc/04/56/52/1079045652.db2.gz FQDBGCYYUQQISE-PKOBYXMFSA-N 1 0 408.591 0.253 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)C2=O)n(C)n1 ZINC000465569862 1079044228 /nfs/dbraw/zinc/04/42/28/1079044228.db2.gz SMASEUBSYAMPOQ-DLBZAZTESA-N 1 0 405.547 0.405 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)C2=O)n(C)n1 ZINC000465569865 1079044264 /nfs/dbraw/zinc/04/42/64/1079044264.db2.gz SMASEUBSYAMPOQ-IAGOWNOFSA-N 1 0 405.547 0.405 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)C2=O)n(C)n1 ZINC000465569867 1079044067 /nfs/dbraw/zinc/04/40/67/1079044067.db2.gz SMASEUBSYAMPOQ-IRXDYDNUSA-N 1 0 405.547 0.405 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)C2=O)n(C)n1 ZINC000465569869 1079044201 /nfs/dbraw/zinc/04/42/01/1079044201.db2.gz SMASEUBSYAMPOQ-SJORKVTESA-N 1 0 405.547 0.405 20 0 HCADRO C[C@@H](CNC(=O)NCCCN1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465572387 1079059810 /nfs/dbraw/zinc/05/98/10/1079059810.db2.gz XXHWPKMBSHTDNI-IBGZPJMESA-N 1 0 418.590 0.171 20 0 HCADRO C[C@H](CNC(=O)NCCCN1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465572400 1079059671 /nfs/dbraw/zinc/05/96/71/1079059671.db2.gz XXHWPKMBSHTDNI-LJQANCHMSA-N 1 0 418.590 0.171 20 0 HCADRO Cc1nc(C)n(C[C@H]2CN(C(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)CCO2)n1 ZINC000465573174 1079080595 /nfs/dbraw/zinc/08/05/95/1079080595.db2.gz ZRUSTSLBUWECSJ-MOPGFXCFSA-N 1 0 407.563 0.577 20 0 HCADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)CCO2)n1 ZINC000465573189 1079080568 /nfs/dbraw/zinc/08/05/68/1079080568.db2.gz ZRUSTSLBUWECSJ-OALUTQOASA-N 1 0 407.563 0.577 20 0 HCADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)CCO2)n1 ZINC000465573191 1079080437 /nfs/dbraw/zinc/08/04/37/1079080437.db2.gz ZRUSTSLBUWECSJ-RBUKOAKNSA-N 1 0 407.563 0.577 20 0 HCADRO Cc1nc(C)n(C[C@H]2CN(C(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)CCO2)n1 ZINC000465573193 1079080471 /nfs/dbraw/zinc/08/04/71/1079080471.db2.gz ZRUSTSLBUWECSJ-RTBURBONSA-N 1 0 407.563 0.577 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000465574979 1079080966 /nfs/dbraw/zinc/08/09/66/1079080966.db2.gz TUTVJTXNKUYCOP-IBGZPJMESA-N 1 0 410.607 0.454 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000465574980 1079080910 /nfs/dbraw/zinc/08/09/10/1079080910.db2.gz TUTVJTXNKUYCOP-LJQANCHMSA-N 1 0 410.607 0.454 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3cccc(OCC(N)=O)c3)cn2)CC1 ZINC000465576576 1079101364 /nfs/dbraw/zinc/10/13/64/1079101364.db2.gz SEECBFUCXFLZOB-UHFFFAOYSA-N 1 0 412.494 0.697 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000465576884 1079123049 /nfs/dbraw/zinc/12/30/49/1079123049.db2.gz NUNFVNCLUPYPJR-KRWDZBQOSA-N 1 0 417.620 0.763 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000465576886 1079122942 /nfs/dbraw/zinc/12/29/42/1079122942.db2.gz NUNFVNCLUPYPJR-QGZVFWFLSA-N 1 0 417.620 0.763 20 0 HCADRO CC(C)[C@@H](CNC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[NH+]1CCN(C)CC1 ZINC000465577254 1079227333 /nfs/dbraw/zinc/22/73/33/1079227333.db2.gz NXXIRQOGFYMNPD-DLBZAZTESA-N 1 0 405.547 0.487 20 0 HCADRO CC(C)[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[NH+]1CCN(C)CC1 ZINC000465577255 1079227216 /nfs/dbraw/zinc/22/72/16/1079227216.db2.gz NXXIRQOGFYMNPD-IAGOWNOFSA-N 1 0 405.547 0.487 20 0 HCADRO CC(C)[C@H](CNC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[NH+]1CCN(C)CC1 ZINC000465577256 1079227268 /nfs/dbraw/zinc/22/72/68/1079227268.db2.gz NXXIRQOGFYMNPD-IRXDYDNUSA-N 1 0 405.547 0.487 20 0 HCADRO CC(C)[C@H](CNC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[NH+]1CCN(C)CC1 ZINC000465577257 1079227411 /nfs/dbraw/zinc/22/74/11/1079227411.db2.gz NXXIRQOGFYMNPD-SJORKVTESA-N 1 0 405.547 0.487 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)NC3CCC(S(C)(=O)=O)CC3)cn2)CC1 ZINC000465579227 1079256035 /nfs/dbraw/zinc/25/60/35/1079256035.db2.gz WNQIPRBENLRLRM-UHFFFAOYSA-N 1 0 409.556 0.988 20 0 HCADRO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465580893 1079256094 /nfs/dbraw/zinc/25/60/94/1079256094.db2.gz QZRREQBWLDWOCN-GOSISDBHSA-N 1 0 420.535 0.863 20 0 HCADRO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465580894 1079256060 /nfs/dbraw/zinc/25/60/60/1079256060.db2.gz QZRREQBWLDWOCN-SFHVURJKSA-N 1 0 420.535 0.863 20 0 HCADRO C[C@@H](CNC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)C[NH+]1CCN(C)CC1 ZINC000465581054 1079260748 /nfs/dbraw/zinc/26/07/48/1079260748.db2.gz XNLGBUCRFOJCPD-KRWDZBQOSA-N 1 0 422.574 0.814 20 0 HCADRO C[C@H](CNC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)C[NH+]1CCN(C)CC1 ZINC000465581055 1079260849 /nfs/dbraw/zinc/26/08/49/1079260849.db2.gz XNLGBUCRFOJCPD-QGZVFWFLSA-N 1 0 422.574 0.814 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)N(CCO)CCOCC(F)(F)F)cn2)CC1 ZINC000465581259 1079260819 /nfs/dbraw/zinc/26/08/19/1079260819.db2.gz ZYVHTDOOTLLRPO-UHFFFAOYSA-N 1 0 419.448 0.916 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000465581738 1079257743 /nfs/dbraw/zinc/25/77/43/1079257743.db2.gz RPFXYFXCUMXRRC-KRWDZBQOSA-N 1 0 410.540 0.991 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000465581740 1079257895 /nfs/dbraw/zinc/25/78/95/1079257895.db2.gz RPFXYFXCUMXRRC-QGZVFWFLSA-N 1 0 410.540 0.991 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000465581893 1079257200 /nfs/dbraw/zinc/25/72/00/1079257200.db2.gz ZDWWJOMNWZXQPQ-IBGZPJMESA-N 1 0 419.574 0.741 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000465581894 1079257255 /nfs/dbraw/zinc/25/72/55/1079257255.db2.gz ZDWWJOMNWZXQPQ-LJQANCHMSA-N 1 0 419.574 0.741 20 0 HCADRO CC(C)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000465584954 1079366863 /nfs/dbraw/zinc/36/68/63/1079366863.db2.gz JIZPBQBKUPNSKN-UHFFFAOYSA-N 1 0 413.544 0.952 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3CN3CCOCC3)cn2)CC1 ZINC000465585981 1079378262 /nfs/dbraw/zinc/37/82/62/1079378262.db2.gz WLZUJVGWEVNEBG-IBGZPJMESA-N 1 0 402.543 0.840 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3CN3CCOCC3)cn2)CC1 ZINC000465585982 1079378291 /nfs/dbraw/zinc/37/82/91/1079378291.db2.gz WLZUJVGWEVNEBG-LJQANCHMSA-N 1 0 402.543 0.840 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000465586769 1079382990 /nfs/dbraw/zinc/38/29/90/1079382990.db2.gz BULHOPMTUZSXRY-FQEVSTJZSA-N 1 0 417.554 0.913 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000465586770 1079383003 /nfs/dbraw/zinc/38/30/03/1079383003.db2.gz BULHOPMTUZSXRY-HXUWFJFHSA-N 1 0 417.554 0.913 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000465588997 1079392468 /nfs/dbraw/zinc/39/24/68/1079392468.db2.gz CYDUHJHUINBLAT-INIZCTEOSA-N 1 0 411.572 0.668 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000465588998 1079392604 /nfs/dbraw/zinc/39/26/04/1079392604.db2.gz CYDUHJHUINBLAT-MRXNPFEDSA-N 1 0 411.572 0.668 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)NCCCC[NH+]2CCN(CC)CC2)CC1 ZINC000465590103 1079452257 /nfs/dbraw/zinc/45/22/57/1079452257.db2.gz DXCAGBQUSPIIER-UHFFFAOYSA-N 1 0 410.607 0.600 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NC(CO)CO ZINC000465600003 1079475144 /nfs/dbraw/zinc/47/51/44/1079475144.db2.gz LDQUBNWGFUGVRM-UHFFFAOYSA-N 1 0 404.433 0.870 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000465600982 1079480734 /nfs/dbraw/zinc/48/07/34/1079480734.db2.gz MBWFIRTZIDCXTH-KRWDZBQOSA-N 1 0 405.547 0.551 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000465600985 1079480714 /nfs/dbraw/zinc/48/07/14/1079480714.db2.gz MBWFIRTZIDCXTH-QGZVFWFLSA-N 1 0 405.547 0.551 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000465603328 1079488798 /nfs/dbraw/zinc/48/87/98/1079488798.db2.gz PMJJMCWQONOZGX-UHFFFAOYSA-N 1 0 405.547 0.030 20 0 HCADRO C[C@@](O)(CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)CN1CCOCC1 ZINC000465604726 1079498702 /nfs/dbraw/zinc/49/87/02/1079498702.db2.gz PHMAKQCIUNUESS-JOCHJYFZSA-N 1 0 419.570 0.581 20 0 HCADRO C[C@](O)(CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)CN1CCOCC1 ZINC000465604727 1079498540 /nfs/dbraw/zinc/49/85/40/1079498540.db2.gz PHMAKQCIUNUESS-QFIPXVFZSA-N 1 0 419.570 0.581 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000465612596 1079769097 /nfs/dbraw/zinc/76/90/97/1079769097.db2.gz XWXRCVKAIUGFRF-KDURUIRLSA-N 1 0 411.591 0.834 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000465612597 1079769265 /nfs/dbraw/zinc/76/92/65/1079769265.db2.gz XWXRCVKAIUGFRF-OALUTQOASA-N 1 0 411.591 0.834 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000465612598 1079769023 /nfs/dbraw/zinc/76/90/23/1079769023.db2.gz XWXRCVKAIUGFRF-RTBURBONSA-N 1 0 411.591 0.834 20 0 HCADRO CC1CC[NH+](CCCNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000465615597 1080017923 /nfs/dbraw/zinc/01/79/23/1080017923.db2.gz LVHSJBYDMUVIFQ-UHFFFAOYSA-N 1 0 413.544 0.954 20 0 HCADRO COCCNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000465629858 1080222862 /nfs/dbraw/zinc/22/28/62/1080222862.db2.gz JGMOBRXTWZXQCO-SJORKVTESA-N 1 0 410.540 0.989 20 0 HCADRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465637911 1080234785 /nfs/dbraw/zinc/23/47/85/1080234785.db2.gz NHJLHQXNEGRFIF-UHFFFAOYSA-N 1 0 411.528 0.706 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000465643730 1080242454 /nfs/dbraw/zinc/24/24/54/1080242454.db2.gz XQCYGQVWRBZJQO-GOSISDBHSA-N 1 0 405.547 0.351 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000465643731 1080242727 /nfs/dbraw/zinc/24/27/27/1080242727.db2.gz XQCYGQVWRBZJQO-SFHVURJKSA-N 1 0 405.547 0.351 20 0 HCADRO Cn1ccnc(N2CCN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)CC2)c1=O ZINC000465645627 1080240893 /nfs/dbraw/zinc/24/08/93/1080240893.db2.gz JBQQMYMBWZHXLH-UHFFFAOYSA-N 1 0 411.510 0.672 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000465646804 1080241885 /nfs/dbraw/zinc/24/18/85/1080241885.db2.gz SLRBWXDHJYUCAT-KRWDZBQOSA-N 1 0 407.563 0.344 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000465646805 1080242093 /nfs/dbraw/zinc/24/20/93/1080242093.db2.gz SLRBWXDHJYUCAT-QGZVFWFLSA-N 1 0 407.563 0.344 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000465648591 1080244422 /nfs/dbraw/zinc/24/44/22/1080244422.db2.gz IQXVXTJIHLMOGT-KRWDZBQOSA-N 1 0 405.543 0.998 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000465648692 1080244374 /nfs/dbraw/zinc/24/43/74/1080244374.db2.gz IQXVXTJIHLMOGT-QGZVFWFLSA-N 1 0 405.543 0.998 20 0 HCADRO Cn1ccnc(N2CCN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CC2)c1=O ZINC000465649542 1080244934 /nfs/dbraw/zinc/24/49/34/1080244934.db2.gz CEFGHQOKADPHLF-UHFFFAOYSA-N 1 0 420.583 0.974 20 0 HCADRO C[NH+](C)C1(CNC(=O)NCCN2CCN(c3ncccn3)CC2)Cc2ccccc2C1 ZINC000465650052 1080244242 /nfs/dbraw/zinc/24/42/42/1080244242.db2.gz BYNFYOVMVMIDEW-UHFFFAOYSA-N 1 0 423.565 0.997 20 0 HCADRO C[C@@H](CNC(=O)NCCS(=O)(=O)NCc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000465654593 1080245751 /nfs/dbraw/zinc/24/57/51/1080245751.db2.gz CBSAGYXGSFSXOT-KRWDZBQOSA-N 1 0 411.572 0.289 20 0 HCADRO C[C@H](CNC(=O)NCCS(=O)(=O)NCc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000465654594 1080245837 /nfs/dbraw/zinc/24/58/37/1080245837.db2.gz CBSAGYXGSFSXOT-QGZVFWFLSA-N 1 0 411.572 0.289 20 0 HCADRO C[C@@H](CNC(=O)NCc1cccc(OCC(=O)N(C)C)c1)C[NH+]1CCN(C)CC1 ZINC000465655399 1080248024 /nfs/dbraw/zinc/24/80/24/1080248024.db2.gz PQKYVECSUUBYMK-KRWDZBQOSA-N 1 0 405.543 0.836 20 0 HCADRO C[C@H](CNC(=O)NCc1cccc(OCC(=O)N(C)C)c1)C[NH+]1CCN(C)CC1 ZINC000465655409 1080248078 /nfs/dbraw/zinc/24/80/78/1080248078.db2.gz PQKYVECSUUBYMK-QGZVFWFLSA-N 1 0 405.543 0.836 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000465656972 1080248113 /nfs/dbraw/zinc/24/81/13/1080248113.db2.gz JNIRBHPUDZFITN-IBGZPJMESA-N 1 0 418.590 0.171 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000465656973 1080247954 /nfs/dbraw/zinc/24/79/54/1080247954.db2.gz JNIRBHPUDZFITN-LJQANCHMSA-N 1 0 418.590 0.171 20 0 HCADRO COCCNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000465658813 1080249718 /nfs/dbraw/zinc/24/97/18/1080249718.db2.gz LCXOXNQIIAMGKM-KRWDZBQOSA-N 1 0 408.524 0.767 20 0 HCADRO COCCNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000465658815 1080249597 /nfs/dbraw/zinc/24/95/97/1080249597.db2.gz LCXOXNQIIAMGKM-QGZVFWFLSA-N 1 0 408.524 0.767 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000465661443 1080250681 /nfs/dbraw/zinc/25/06/81/1080250681.db2.gz NITRDMDHYLNKLZ-UHFFFAOYSA-N 1 0 418.542 0.136 20 0 HCADRO COCC(=O)N1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000465662089 1080250082 /nfs/dbraw/zinc/25/00/82/1080250082.db2.gz KBZFOQMONKDFRL-UHFFFAOYSA-N 1 0 409.575 0.873 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000465663351 1080251369 /nfs/dbraw/zinc/25/13/69/1080251369.db2.gz MUVXNXQQCJUOFH-UHFFFAOYSA-N 1 0 417.620 0.908 20 0 HCADRO C[C@@](O)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)CN1CCOCC1 ZINC000465663694 1080251170 /nfs/dbraw/zinc/25/11/70/1080251170.db2.gz TWMDFPYNHVFSQX-GOSISDBHSA-N 1 0 400.589 0.730 20 0 HCADRO C[C@](O)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)CN1CCOCC1 ZINC000465663696 1080251405 /nfs/dbraw/zinc/25/14/05/1080251405.db2.gz TWMDFPYNHVFSQX-SFHVURJKSA-N 1 0 400.589 0.730 20 0 HCADRO O=C(CCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@H]1CCS(=O)(=O)C1 ZINC000465670717 1080257181 /nfs/dbraw/zinc/25/71/81/1080257181.db2.gz UDKRWYWVOJNWFJ-CVEARBPZSA-N 1 0 400.545 0.244 20 0 HCADRO O=C(CCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N[C@H]1CCS(=O)(=O)C1 ZINC000465670721 1080257218 /nfs/dbraw/zinc/25/72/18/1080257218.db2.gz UDKRWYWVOJNWFJ-HOTGVXAUSA-N 1 0 400.545 0.244 20 0 HCADRO O=C(CCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000465670723 1080257281 /nfs/dbraw/zinc/25/72/81/1080257281.db2.gz UDKRWYWVOJNWFJ-HZPDHXFCSA-N 1 0 400.545 0.244 20 0 HCADRO O=C(CCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000465670725 1080257129 /nfs/dbraw/zinc/25/71/29/1080257129.db2.gz UDKRWYWVOJNWFJ-JKSUJKDBSA-N 1 0 400.545 0.244 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465674522 1080258756 /nfs/dbraw/zinc/25/87/56/1080258756.db2.gz DLSDWBUENPDQHY-UHFFFAOYSA-N 1 0 404.577 0.944 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000465676675 1080260654 /nfs/dbraw/zinc/26/06/54/1080260654.db2.gz UGYMPKNJAFLIEI-GOSISDBHSA-N 1 0 412.556 0.858 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000465676676 1080260597 /nfs/dbraw/zinc/26/05/97/1080260597.db2.gz UGYMPKNJAFLIEI-SFHVURJKSA-N 1 0 412.556 0.858 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000465680815 1080262374 /nfs/dbraw/zinc/26/23/74/1080262374.db2.gz FXTFGXYLRWEFQV-GOSISDBHSA-N 1 0 409.506 0.518 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000465680817 1080262282 /nfs/dbraw/zinc/26/22/82/1080262282.db2.gz FXTFGXYLRWEFQV-SFHVURJKSA-N 1 0 409.506 0.518 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000465682504 1080262850 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ZINC000465839862 1080367487 /nfs/dbraw/zinc/36/74/87/1080367487.db2.gz QIJVTPQPIDMNLQ-KRWDZBQOSA-N 1 0 413.526 0.994 20 0 HCADRO C[C@H](CNC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1)C[NH+]1CCN(C)CC1 ZINC000465839864 1080367593 /nfs/dbraw/zinc/36/75/93/1080367593.db2.gz QIJVTPQPIDMNLQ-QGZVFWFLSA-N 1 0 413.526 0.994 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000465840885 1080368228 /nfs/dbraw/zinc/36/82/28/1080368228.db2.gz KEVRERCOEYRKBC-MOPGFXCFSA-N 1 0 409.575 0.825 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000465840887 1080367881 /nfs/dbraw/zinc/36/78/81/1080367881.db2.gz KEVRERCOEYRKBC-OALUTQOASA-N 1 0 409.575 0.825 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000465840889 1080367982 /nfs/dbraw/zinc/36/79/82/1080367982.db2.gz KEVRERCOEYRKBC-RBUKOAKNSA-N 1 0 409.575 0.825 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000465840891 1080368170 /nfs/dbraw/zinc/36/81/70/1080368170.db2.gz KEVRERCOEYRKBC-RTBURBONSA-N 1 0 409.575 0.825 20 0 HCADRO C[C@H]1C[C@H](N(C)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000465841478 1080368609 /nfs/dbraw/zinc/36/86/09/1080368609.db2.gz RFWGCRPCSQUGNS-DLBZAZTESA-N 1 0 403.531 0.639 20 0 HCADRO C[C@@H]1C[C@H](N(C)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000465841481 1080368631 /nfs/dbraw/zinc/36/86/31/1080368631.db2.gz RFWGCRPCSQUGNS-IAGOWNOFSA-N 1 0 403.531 0.639 20 0 HCADRO C[C@H]1C[C@@H](N(C)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000465841483 1080368747 /nfs/dbraw/zinc/36/87/47/1080368747.db2.gz RFWGCRPCSQUGNS-IRXDYDNUSA-N 1 0 403.531 0.639 20 0 HCADRO C[C@@H]1C[C@@H](N(C)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000465841484 1080369611 /nfs/dbraw/zinc/36/96/11/1080369611.db2.gz RFWGCRPCSQUGNS-SJORKVTESA-N 1 0 403.531 0.639 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000465841859 1080368740 /nfs/dbraw/zinc/36/87/40/1080368740.db2.gz LDDDCKVLSAANLE-DYESRHJHSA-N 1 0 417.510 0.993 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000465841860 1080368534 /nfs/dbraw/zinc/36/85/34/1080368534.db2.gz LDDDCKVLSAANLE-LAUBAEHRSA-N 1 0 417.510 0.993 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCC(=O)N(C)CCc2ccccn2)CC1 ZINC000465841883 1080368559 /nfs/dbraw/zinc/36/85/59/1080368559.db2.gz ILPQZTGYWGFHII-GOSISDBHSA-N 1 0 404.559 0.655 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC(=O)N(C)CCc2ccccn2)CC1 ZINC000465841884 1080368498 /nfs/dbraw/zinc/36/84/98/1080368498.db2.gz ILPQZTGYWGFHII-SFHVURJKSA-N 1 0 404.559 0.655 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000465842617 1080368094 /nfs/dbraw/zinc/36/80/94/1080368094.db2.gz LDDDCKVLSAANLE-UTKZUKDTSA-N 1 0 417.510 0.993 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000465842618 1080367960 /nfs/dbraw/zinc/36/79/60/1080367960.db2.gz LDDDCKVLSAANLE-UWJYYQICSA-N 1 0 417.510 0.993 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@H]2CN2CCOCC2)c1 ZINC000465843013 1080369384 /nfs/dbraw/zinc/36/93/84/1080369384.db2.gz QPRNMRLWVPIBJR-HXUWFJFHSA-N 1 0 417.554 0.984 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000465843306 1080368811 /nfs/dbraw/zinc/36/88/11/1080368811.db2.gz TWAOBRIXICBISH-AEFFLSMTSA-N 1 0 405.547 0.631 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000465843312 1080368768 /nfs/dbraw/zinc/36/87/68/1080368768.db2.gz TWAOBRIXICBISH-FUHWJXTLSA-N 1 0 405.547 0.631 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000465843313 1080368697 /nfs/dbraw/zinc/36/86/97/1080368697.db2.gz TWAOBRIXICBISH-SJLPKXTDSA-N 1 0 405.547 0.631 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000465843314 1080368649 /nfs/dbraw/zinc/36/86/49/1080368649.db2.gz TWAOBRIXICBISH-WMZOPIPTSA-N 1 0 405.547 0.631 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000465846325 1080372068 /nfs/dbraw/zinc/37/20/68/1080372068.db2.gz OIDOHQINVBIPBF-KRWDZBQOSA-N 1 0 405.499 0.293 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000465846337 1080371845 /nfs/dbraw/zinc/37/18/45/1080371845.db2.gz OIDOHQINVBIPBF-QGZVFWFLSA-N 1 0 405.499 0.293 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCN(Cc3ccon3)CC2)c1 ZINC000465846731 1080371945 /nfs/dbraw/zinc/37/19/45/1080371945.db2.gz OQHRNJRRALIPBV-UHFFFAOYSA-N 1 0 414.510 0.993 20 0 HCADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000465848251 1080371981 /nfs/dbraw/zinc/37/19/81/1080371981.db2.gz YHIFJTULVOWLNW-CVEARBPZSA-N 1 0 411.572 0.838 20 0 HCADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000465848255 1080371806 /nfs/dbraw/zinc/37/18/06/1080371806.db2.gz YHIFJTULVOWLNW-HOTGVXAUSA-N 1 0 411.572 0.838 20 0 HCADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000465848261 1080372004 /nfs/dbraw/zinc/37/20/04/1080372004.db2.gz YHIFJTULVOWLNW-HZPDHXFCSA-N 1 0 411.572 0.838 20 0 HCADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000465848265 1080372143 /nfs/dbraw/zinc/37/21/43/1080372143.db2.gz YHIFJTULVOWLNW-JKSUJKDBSA-N 1 0 411.572 0.838 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC3(CNC(=O)C3)CC2)c1 ZINC000465848829 1074427260 /nfs/dbraw/zinc/42/72/60/1074427260.db2.gz YBKDCQFIQFPZET-UHFFFAOYSA-N 1 0 401.511 0.790 20 0 HCADRO Cn1nc2c(cc1=O)CN(C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)CC2 ZINC000465849049 1080371452 /nfs/dbraw/zinc/37/14/52/1080371452.db2.gz YSXOWQQKPMUMCV-UHFFFAOYSA-N 1 0 412.494 0.340 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)c1 ZINC000465852987 1080377314 /nfs/dbraw/zinc/37/73/14/1080377314.db2.gz ZNGHCVHYGKQEIH-NRFANRHFSA-N 1 0 401.511 0.790 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1 ZINC000465852988 1080377993 /nfs/dbraw/zinc/37/79/93/1080377993.db2.gz ZNGHCVHYGKQEIH-OAQYLSRUSA-N 1 0 401.511 0.790 20 0 HCADRO Cn1ccnc(N2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)c1=O ZINC000465856320 1080418966 /nfs/dbraw/zinc/41/89/66/1080418966.db2.gz FZBCTCKFXUADCK-UHFFFAOYSA-N 1 0 404.515 0.257 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000465857899 1080423854 /nfs/dbraw/zinc/42/38/54/1080423854.db2.gz JCJCBCNJFLBZBZ-UHFFFAOYSA-N 1 0 409.575 0.827 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)C2=O)n(C)n1 ZINC000465861446 1080441496 /nfs/dbraw/zinc/44/14/96/1080441496.db2.gz ALHWSDMFVBYOIT-INIZCTEOSA-N 1 0 419.530 0.076 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)C2=O)n(C)n1 ZINC000465861447 1080441062 /nfs/dbraw/zinc/44/10/62/1080441062.db2.gz ALHWSDMFVBYOIT-MRXNPFEDSA-N 1 0 419.530 0.076 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2CN2CCOCC2)CC1 ZINC000465865496 1080444819 /nfs/dbraw/zinc/44/48/19/1080444819.db2.gz DJUWYEHYSPFGOI-IBGZPJMESA-N 1 0 409.575 0.825 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000465865497 1080445203 /nfs/dbraw/zinc/44/52/03/1080445203.db2.gz DJUWYEHYSPFGOI-LJQANCHMSA-N 1 0 409.575 0.825 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)NCC3([NH+]4CCCC4)CCOCC3)C2=O)n(C)n1 ZINC000465867517 1080449824 /nfs/dbraw/zinc/44/98/24/1080449824.db2.gz OBPPRSCIVSIIGW-INIZCTEOSA-N 1 0 404.515 0.778 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)NCC3([NH+]4CCCC4)CCOCC3)C2=O)n(C)n1 ZINC000465867518 1080450129 /nfs/dbraw/zinc/45/01/29/1080450129.db2.gz OBPPRSCIVSIIGW-MRXNPFEDSA-N 1 0 404.515 0.778 20 0 HCADRO C[C@@](O)(CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)CN1CCOCC1 ZINC000465868364 1080451507 /nfs/dbraw/zinc/45/15/07/1080451507.db2.gz YHRIBFBWUWYDAX-JOCHJYFZSA-N 1 0 420.554 0.526 20 0 HCADRO C[C@](O)(CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)CN1CCOCC1 ZINC000465868365 1080451711 /nfs/dbraw/zinc/45/17/11/1080451711.db2.gz YHRIBFBWUWYDAX-QFIPXVFZSA-N 1 0 420.554 0.526 20 0 HCADRO CCOC(=O)c1cnc(N2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)s1 ZINC000465871250 1080454141 /nfs/dbraw/zinc/45/41/41/1080454141.db2.gz GCVYCYUIVHHNRH-AWEZNQCLSA-N 1 0 410.544 0.397 20 0 HCADRO CCOC(=O)c1cnc(N2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)s1 ZINC000465871251 1080454272 /nfs/dbraw/zinc/45/42/72/1080454272.db2.gz GCVYCYUIVHHNRH-CQSZACIVSA-N 1 0 410.544 0.397 20 0 HCADRO O=C(NCC1CC[NH+](CCO)CC1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000465872552 1080456790 /nfs/dbraw/zinc/45/67/90/1080456790.db2.gz IJKKNIVQUGHTEW-GOSISDBHSA-N 1 0 404.511 0.670 20 0 HCADRO O=C(NCC1CC[NH+](CCO)CC1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000465872555 1080458466 /nfs/dbraw/zinc/45/84/66/1080458466.db2.gz IJKKNIVQUGHTEW-SFHVURJKSA-N 1 0 404.511 0.670 20 0 HCADRO O=C(NCCS(=O)(=O)NCC1CCC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465873046 1080455239 /nfs/dbraw/zinc/45/52/39/1080455239.db2.gz KXMOCBMJIMTMHI-UHFFFAOYSA-N 1 0 416.588 0.992 20 0 HCADRO CCc1nsc(N2CCN(C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)CC2)n1 ZINC000465873408 1080457856 /nfs/dbraw/zinc/45/78/56/1080457856.db2.gz QHIFHWOIEWPYIQ-UHFFFAOYSA-N 1 0 423.587 0.875 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000465873428 1080457661 /nfs/dbraw/zinc/45/76/61/1080457661.db2.gz QKRNNPFPOUPBAZ-UHFFFAOYSA-N 1 0 422.618 0.789 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2cccs2)CC1 ZINC000465873597 1080456755 /nfs/dbraw/zinc/45/67/55/1080456755.db2.gz LGPZQIFQMYQZOG-KRWDZBQOSA-N 1 0 407.540 0.873 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2c2cccs2)CC1 ZINC000465873598 1080457753 /nfs/dbraw/zinc/45/77/53/1080457753.db2.gz LGPZQIFQMYQZOG-QGZVFWFLSA-N 1 0 407.540 0.873 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000465873713 1080457645 /nfs/dbraw/zinc/45/76/45/1080457645.db2.gz LRXJIKFVLRSOIW-UHFFFAOYSA-N 1 0 405.499 0.293 20 0 HCADRO C[C@@H](CNC(=O)NCCOc1ccc(S(C)(=O)=O)cc1)C[NH+]1CCN(C)CC1 ZINC000465873935 1080457804 /nfs/dbraw/zinc/45/78/04/1080457804.db2.gz WZEJSTDZXGAGAS-INIZCTEOSA-N 1 0 412.556 0.652 20 0 HCADRO C[C@H](CNC(=O)NCCOc1ccc(S(C)(=O)=O)cc1)C[NH+]1CCN(C)CC1 ZINC000465873936 1080457923 /nfs/dbraw/zinc/45/79/23/1080457923.db2.gz WZEJSTDZXGAGAS-MRXNPFEDSA-N 1 0 412.556 0.652 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000465875423 1080463369 /nfs/dbraw/zinc/46/33/69/1080463369.db2.gz KHEWSEIQEKWMAV-UHFFFAOYSA-N 1 0 401.555 0.937 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000465875644 1080464060 /nfs/dbraw/zinc/46/40/60/1080464060.db2.gz SUXVCPHAASHQGO-KRWDZBQOSA-N 1 0 405.547 0.631 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000465875645 1080464295 /nfs/dbraw/zinc/46/42/95/1080464295.db2.gz SUXVCPHAASHQGO-QGZVFWFLSA-N 1 0 405.547 0.631 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000465877092 1080461712 /nfs/dbraw/zinc/46/17/12/1080461712.db2.gz QNRSZMCDPYLFJF-UHFFFAOYSA-N 1 0 424.590 0.125 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000465879130 1080463483 /nfs/dbraw/zinc/46/34/83/1080463483.db2.gz QQBBKSUXFPDQIM-UHFFFAOYSA-N 1 0 409.575 0.825 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000465880179 1080464921 /nfs/dbraw/zinc/46/49/21/1080464921.db2.gz WCAFHTAVYXXUSE-INIZCTEOSA-N 1 0 403.593 0.279 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000465880180 1080465143 /nfs/dbraw/zinc/46/51/43/1080465143.db2.gz WCAFHTAVYXXUSE-MRXNPFEDSA-N 1 0 403.593 0.279 20 0 HCADRO CC[NH+]1CCC(CCNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000465881325 1080466844 /nfs/dbraw/zinc/46/68/44/1080466844.db2.gz UKQJAAAEQJWAFT-KRWDZBQOSA-N 1 0 404.577 0.896 20 0 HCADRO CC[NH+]1CCC(CCNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000465881327 1080467066 /nfs/dbraw/zinc/46/70/66/1080467066.db2.gz UKQJAAAEQJWAFT-QGZVFWFLSA-N 1 0 404.577 0.896 20 0 HCADRO Cc1nc(C)n(C[C@H]2CN(C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)CCO2)n1 ZINC000465882165 1080468399 /nfs/dbraw/zinc/46/83/99/1080468399.db2.gz ZHXPAINKBBTGJO-GOSISDBHSA-N 1 0 421.546 0.248 20 0 HCADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)CCO2)n1 ZINC000465882166 1080468286 /nfs/dbraw/zinc/46/82/86/1080468286.db2.gz ZHXPAINKBBTGJO-SFHVURJKSA-N 1 0 421.546 0.248 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000465882859 1080468422 /nfs/dbraw/zinc/46/84/22/1080468422.db2.gz XTHJCHHWGILOKS-GOSISDBHSA-N 1 0 405.543 0.597 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000465882860 1080468532 /nfs/dbraw/zinc/46/85/32/1080468532.db2.gz XTHJCHHWGILOKS-SFHVURJKSA-N 1 0 405.543 0.597 20 0 HCADRO CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000465885444 1080479235 /nfs/dbraw/zinc/47/92/35/1080479235.db2.gz CUEYYAKEUQJWSP-CRAIPNDOSA-N 1 0 411.572 0.968 20 0 HCADRO CC[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000465885448 1080479547 /nfs/dbraw/zinc/47/95/47/1080479547.db2.gz CUEYYAKEUQJWSP-MAUKXSAKSA-N 1 0 411.572 0.968 20 0 HCADRO CC[C@H](NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000465885449 1080479307 /nfs/dbraw/zinc/47/93/07/1080479307.db2.gz CUEYYAKEUQJWSP-QAPCUYQASA-N 1 0 411.572 0.968 20 0 HCADRO CC[C@H](NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000465885450 1080479345 /nfs/dbraw/zinc/47/93/45/1080479345.db2.gz CUEYYAKEUQJWSP-YJBOKZPZSA-N 1 0 411.572 0.968 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000465887568 1080480982 /nfs/dbraw/zinc/48/09/82/1080480982.db2.gz BBWHOWOBULGBNF-NRFANRHFSA-N 1 0 415.542 0.691 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000465887569 1080480819 /nfs/dbraw/zinc/48/08/19/1080480819.db2.gz BBWHOWOBULGBNF-OAQYLSRUSA-N 1 0 415.542 0.691 20 0 HCADRO C[C@@](O)(CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000465887743 1080480325 /nfs/dbraw/zinc/48/03/25/1080480325.db2.gz IEWSHEPQKURVIC-IFMALSPDSA-N 1 0 404.555 0.933 20 0 HCADRO 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HCADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000465965941 1080594675 /nfs/dbraw/zinc/59/46/75/1080594675.db2.gz GIZCLHLCMJWEBG-UYAOXDASSA-N 1 0 416.570 0.836 20 0 HCADRO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000465968525 1080597708 /nfs/dbraw/zinc/59/77/08/1080597708.db2.gz NNOPDLDUBSPERE-KRWDZBQOSA-N 1 0 409.556 0.484 20 0 HCADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000465968526 1080597646 /nfs/dbraw/zinc/59/76/46/1080597646.db2.gz NNOPDLDUBSPERE-QGZVFWFLSA-N 1 0 409.556 0.484 20 0 HCADRO COCCC[N@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000465973589 1080609767 /nfs/dbraw/zinc/60/97/67/1080609767.db2.gz QYPXJOYWOSHBQG-UHFFFAOYSA-N 1 0 420.576 0.227 20 0 HCADRO COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000465974287 1080607843 /nfs/dbraw/zinc/60/78/43/1080607843.db2.gz AHBRXXNZDJTHCE-KRWDZBQOSA-N 1 0 408.524 0.767 20 0 HCADRO COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000465974288 1080607738 /nfs/dbraw/zinc/60/77/38/1080607738.db2.gz AHBRXXNZDJTHCE-QGZVFWFLSA-N 1 0 408.524 0.767 20 0 HCADRO C[C@@H](CNC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465974518 1080617811 /nfs/dbraw/zinc/61/78/11/1080617811.db2.gz BGCFPTKXALAKJF-PMACEKPBSA-N 1 0 417.602 0.775 20 0 HCADRO C[C@H](CNC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465974519 1080617999 /nfs/dbraw/zinc/61/79/99/1080617999.db2.gz BGCFPTKXALAKJF-UXHICEINSA-N 1 0 417.602 0.775 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000465974520 1080617743 /nfs/dbraw/zinc/61/77/43/1080617743.db2.gz BGCFPTKXALAKJF-VQTJNVASSA-N 1 0 417.602 0.775 20 0 HCADRO C[C@H](CNC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465974521 1080617972 /nfs/dbraw/zinc/61/79/72/1080617972.db2.gz BGCFPTKXALAKJF-WOJBJXKFSA-N 1 0 417.602 0.775 20 0 HCADRO CN1CC[C@H](NC(=O)N2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000465975239 1080609818 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AZCVHHZCFWWCLX-SFHVURJKSA-N 1 0 404.515 0.812 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000465978676 1080650617 /nfs/dbraw/zinc/65/06/17/1080650617.db2.gz IGHKJTQRLFCMLY-GOSISDBHSA-N 1 0 423.583 0.906 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000465978677 1080650809 /nfs/dbraw/zinc/65/08/09/1080650809.db2.gz IGHKJTQRLFCMLY-SFHVURJKSA-N 1 0 423.583 0.906 20 0 HCADRO COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000465979113 1080638994 /nfs/dbraw/zinc/63/89/94/1080638994.db2.gz IVGMNOQVDTWGJJ-SJORKVTESA-N 1 0 410.540 0.989 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)NCC3([NH+]4CCCCC4)CCN(C)CC3)C2=O)cn1 ZINC000465982828 1080683998 /nfs/dbraw/zinc/68/39/98/1080683998.db2.gz IUDGEXLTYWVLBE-GOSISDBHSA-N 1 0 417.558 0.775 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NCC3([NH+]4CCCCC4)CCN(C)CC3)C2=O)cn1 ZINC000465982829 1080683900 /nfs/dbraw/zinc/68/39/00/1080683900.db2.gz IUDGEXLTYWVLBE-SFHVURJKSA-N 1 0 417.558 0.775 20 0 HCADRO C[C@H]1C[C@H](N(C)C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000465984389 1080684648 /nfs/dbraw/zinc/68/46/48/1080684648.db2.gz KWUVRQIVGZWTEC-DOTOQJQBSA-N 1 0 417.576 0.152 20 0 HCADRO C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000465984390 1080684741 /nfs/dbraw/zinc/68/47/41/1080684741.db2.gz KWUVRQIVGZWTEC-NVXWUHKLSA-N 1 0 417.576 0.152 20 0 HCADRO C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000465984391 1080684434 /nfs/dbraw/zinc/68/44/34/1080684434.db2.gz KWUVRQIVGZWTEC-RDJZCZTQSA-N 1 0 417.576 0.152 20 0 HCADRO C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000465984392 1080684288 /nfs/dbraw/zinc/68/42/88/1080684288.db2.gz KWUVRQIVGZWTEC-WBVHZDCISA-N 1 0 417.576 0.152 20 0 HCADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CCO2)n1 ZINC000465984977 1080689566 /nfs/dbraw/zinc/68/95/66/1080689566.db2.gz LKIVWOGMUSLEAG-HKUYNNGSSA-N 1 0 406.531 0.806 20 0 HCADRO Cc1nc(C)n(C[C@H]2CN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CCO2)n1 ZINC000465984978 1080689683 /nfs/dbraw/zinc/68/96/83/1080689683.db2.gz LKIVWOGMUSLEAG-IEBWSBKVSA-N 1 0 406.531 0.806 20 0 HCADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CCO2)n1 ZINC000465984979 1080689486 /nfs/dbraw/zinc/68/94/86/1080689486.db2.gz LKIVWOGMUSLEAG-MJGOQNOKSA-N 1 0 406.531 0.806 20 0 HCADRO Cc1nc(C)n(C[C@H]2CN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CCO2)n1 ZINC000465984980 1080689590 /nfs/dbraw/zinc/68/95/90/1080689590.db2.gz LKIVWOGMUSLEAG-PKOBYXMFSA-N 1 0 406.531 0.806 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)C2=O)n(C)n1 ZINC000465986293 1080700079 /nfs/dbraw/zinc/70/00/79/1080700079.db2.gz MQPNUSLYWYXHBJ-DOTOQJQBSA-N 1 0 404.515 0.634 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C2=O)n(C)n1 ZINC000465986294 1080700293 /nfs/dbraw/zinc/70/02/93/1080700293.db2.gz MQPNUSLYWYXHBJ-NVXWUHKLSA-N 1 0 404.515 0.634 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)C2=O)n(C)n1 ZINC000465986295 1080700508 /nfs/dbraw/zinc/70/05/08/1080700508.db2.gz MQPNUSLYWYXHBJ-RDJZCZTQSA-N 1 0 404.515 0.634 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C2=O)n(C)n1 ZINC000465986296 1080700340 /nfs/dbraw/zinc/70/03/40/1080700340.db2.gz MQPNUSLYWYXHBJ-WBVHZDCISA-N 1 0 404.515 0.634 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000466004162 1080786424 /nfs/dbraw/zinc/78/64/24/1080786424.db2.gz IXABPVUNHNCQDQ-UHFFFAOYSA-N 1 0 415.538 0.464 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000466004219 1080787082 /nfs/dbraw/zinc/78/70/82/1080787082.db2.gz JBPHRABTMIPMPD-AEFFLSMTSA-N 1 0 423.583 0.905 20 0 HCADRO C[C@H]1C[C@H](NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000466004220 1080786960 /nfs/dbraw/zinc/78/69/60/1080786960.db2.gz JBPHRABTMIPMPD-FUHWJXTLSA-N 1 0 423.583 0.905 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000466004221 1080787047 /nfs/dbraw/zinc/78/70/47/1080787047.db2.gz JBPHRABTMIPMPD-SJLPKXTDSA-N 1 0 423.583 0.905 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000466004222 1080787143 /nfs/dbraw/zinc/78/71/43/1080787143.db2.gz JBPHRABTMIPMPD-WMZOPIPTSA-N 1 0 423.583 0.905 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000466006616 1080790494 /nfs/dbraw/zinc/79/04/94/1080790494.db2.gz LXYZRDPZCMOMBM-GOSISDBHSA-N 1 0 409.575 0.683 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000466006621 1080790427 /nfs/dbraw/zinc/79/04/27/1080790427.db2.gz LXYZRDPZCMOMBM-SFHVURJKSA-N 1 0 409.575 0.683 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000466008890 1080796145 /nfs/dbraw/zinc/79/61/45/1080796145.db2.gz YVAWCWOKKCIVLH-UHFFFAOYSA-N 1 0 401.555 0.937 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000466009264 1080793651 /nfs/dbraw/zinc/79/36/51/1080793651.db2.gz QOLFIVRUGSCUKH-INIZCTEOSA-N 1 0 402.561 0.743 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000466009265 1080793762 /nfs/dbraw/zinc/79/37/62/1080793762.db2.gz QOLFIVRUGSCUKH-MRXNPFEDSA-N 1 0 402.561 0.743 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000466014200 1080807444 /nfs/dbraw/zinc/80/74/44/1080807444.db2.gz XQHFIEUSENTWGT-UHFFFAOYSA-N 1 0 417.554 0.175 20 0 HCADRO COc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000466014448 1080807569 /nfs/dbraw/zinc/80/75/69/1080807569.db2.gz HNSLXILELIZWNO-FXAWDEMLSA-N 1 0 417.554 0.979 20 0 HCADRO COc1ccc(CN2CC[C@H](NC(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000466014449 1080807454 /nfs/dbraw/zinc/80/74/54/1080807454.db2.gz HNSLXILELIZWNO-PXNSSMCTSA-N 1 0 417.554 0.979 20 0 HCADRO COc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000466014450 1080807491 /nfs/dbraw/zinc/80/74/91/1080807491.db2.gz HNSLXILELIZWNO-XLIONFOSSA-N 1 0 417.554 0.979 20 0 HCADRO COc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000466014451 1080813274 /nfs/dbraw/zinc/81/32/74/1080813274.db2.gz HNSLXILELIZWNO-YLJYHZDGSA-N 1 0 417.554 0.979 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@](C)(O)CN2CCOCC2)[C@@H](C)C1 ZINC000466016434 1080809755 /nfs/dbraw/zinc/80/97/55/1080809755.db2.gz BEWMHIHUVNEWFP-BJLQDIEVSA-N 1 0 400.564 0.506 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)CN2CCOCC2)[C@@H](C)C1 ZINC000466016435 1080809929 /nfs/dbraw/zinc/80/99/29/1080809929.db2.gz BEWMHIHUVNEWFP-CMKODMSKSA-N 1 0 400.564 0.506 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@](C)(O)CN2CCOCC2)[C@H](C)C1 ZINC000466016436 1080809963 /nfs/dbraw/zinc/80/99/63/1080809963.db2.gz BEWMHIHUVNEWFP-HBFSDRIKSA-N 1 0 400.564 0.506 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)CN2CCOCC2)[C@H](C)C1 ZINC000466016437 1080809859 /nfs/dbraw/zinc/80/98/59/1080809859.db2.gz 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HCADRO CCCS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000466113598 1080895052 /nfs/dbraw/zinc/89/50/52/1080895052.db2.gz TUJVINWQNOBVFA-KRWDZBQOSA-N 1 0 417.620 0.763 20 0 HCADRO CCCS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000466113599 1080895007 /nfs/dbraw/zinc/89/50/07/1080895007.db2.gz TUJVINWQNOBVFA-QGZVFWFLSA-N 1 0 417.620 0.763 20 0 HCADRO CCN(C1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1)S(C)(=O)=O ZINC000466114706 1080895693 /nfs/dbraw/zinc/89/56/93/1080895693.db2.gz XOBQSHICQPUCAB-KRWDZBQOSA-N 1 0 417.620 0.716 20 0 HCADRO CCN(C1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1)S(C)(=O)=O ZINC000466114707 1080895582 /nfs/dbraw/zinc/89/55/82/1080895582.db2.gz XOBQSHICQPUCAB-QGZVFWFLSA-N 1 0 417.620 0.716 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000466114802 1080895297 /nfs/dbraw/zinc/89/52/97/1080895297.db2.gz JKBIVUJBTBQDRP-FQEVSTJZSA-N 1 0 422.618 0.600 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000466114806 1080895263 /nfs/dbraw/zinc/89/52/63/1080895263.db2.gz JKBIVUJBTBQDRP-HXUWFJFHSA-N 1 0 422.618 0.600 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC000466115507 1080895640 /nfs/dbraw/zinc/89/56/40/1080895640.db2.gz YSJFEDPMXJHMMM-INIZCTEOSA-N 1 0 403.593 0.373 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC000466115524 1080895679 /nfs/dbraw/zinc/89/56/79/1080895679.db2.gz YSJFEDPMXJHMMM-MRXNPFEDSA-N 1 0 403.593 0.373 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000466117596 1080897516 /nfs/dbraw/zinc/89/75/16/1080897516.db2.gz QQEFBTBHTQGYOJ-IBGZPJMESA-N 1 0 410.607 0.456 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000466117598 1080897570 /nfs/dbraw/zinc/89/75/70/1080897570.db2.gz QQEFBTBHTQGYOJ-LJQANCHMSA-N 1 0 410.607 0.456 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000466120222 1080907832 /nfs/dbraw/zinc/90/78/32/1080907832.db2.gz YEZSKXKUBXTSQX-GOSISDBHSA-N 1 0 402.543 0.823 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000466120224 1080908118 /nfs/dbraw/zinc/90/81/18/1080908118.db2.gz YEZSKXKUBXTSQX-SFHVURJKSA-N 1 0 402.543 0.823 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000466126057 1080915994 /nfs/dbraw/zinc/91/59/94/1080915994.db2.gz BMKOHEHOEJURDT-INIZCTEOSA-N 1 0 403.593 0.325 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000466126058 1080915498 /nfs/dbraw/zinc/91/54/98/1080915498.db2.gz BMKOHEHOEJURDT-MRXNPFEDSA-N 1 0 403.593 0.325 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000466127805 1080921279 /nfs/dbraw/zinc/92/12/79/1080921279.db2.gz FFEITJHIZDVJHH-DLBZAZTESA-N 1 0 403.593 0.231 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000466127807 1080921179 /nfs/dbraw/zinc/92/11/79/1080921179.db2.gz FFEITJHIZDVJHH-IAGOWNOFSA-N 1 0 403.593 0.231 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000466127808 1080921392 /nfs/dbraw/zinc/92/13/92/1080921392.db2.gz FFEITJHIZDVJHH-IRXDYDNUSA-N 1 0 403.593 0.231 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000466127810 1080921028 /nfs/dbraw/zinc/92/10/28/1080921028.db2.gz FFEITJHIZDVJHH-SJORKVTESA-N 1 0 403.593 0.231 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)C[NH+]1CCN(C)CC1 ZINC000466128131 1080921851 /nfs/dbraw/zinc/92/18/51/1080921851.db2.gz DBMIINYQBDANBH-KRWDZBQOSA-N 1 0 402.543 0.501 20 0 HCADRO C[C@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)C[NH+]1CCN(C)CC1 ZINC000466128132 1080921568 /nfs/dbraw/zinc/92/15/68/1080921568.db2.gz DBMIINYQBDANBH-QGZVFWFLSA-N 1 0 402.543 0.501 20 0 HCADRO COc1ccc(C[C@H](CO)CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1O ZINC000466128887 1080922735 /nfs/dbraw/zinc/92/27/35/1080922735.db2.gz FISSBSCDMTWKKQ-AEFFLSMTSA-N 1 0 408.543 0.735 20 0 HCADRO COc1ccc(C[C@@H](CO)CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1O ZINC000466128923 1080917824 /nfs/dbraw/zinc/91/78/24/1080917824.db2.gz FISSBSCDMTWKKQ-FUHWJXTLSA-N 1 0 408.543 0.735 20 0 HCADRO COc1ccc(C[C@@H](CO)CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1O ZINC000466128924 1080917603 /nfs/dbraw/zinc/91/76/03/1080917603.db2.gz FISSBSCDMTWKKQ-SJLPKXTDSA-N 1 0 408.543 0.735 20 0 HCADRO COc1ccc(C[C@H](CO)CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1O ZINC000466128925 1080918482 /nfs/dbraw/zinc/91/84/82/1080918482.db2.gz FISSBSCDMTWKKQ-WMZOPIPTSA-N 1 0 408.543 0.735 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000466129245 1080921751 /nfs/dbraw/zinc/92/17/51/1080921751.db2.gz GDEHHCVYSPVSMB-MOPGFXCFSA-N 1 0 409.575 0.540 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000466129248 1080921655 /nfs/dbraw/zinc/92/16/55/1080921655.db2.gz GDEHHCVYSPVSMB-OALUTQOASA-N 1 0 409.575 0.540 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000466129252 1080921231 /nfs/dbraw/zinc/92/12/31/1080921231.db2.gz GDEHHCVYSPVSMB-RBUKOAKNSA-N 1 0 409.575 0.540 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000466129255 1080921467 /nfs/dbraw/zinc/92/14/67/1080921467.db2.gz GDEHHCVYSPVSMB-RTBURBONSA-N 1 0 409.575 0.540 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000466129358 1080922575 /nfs/dbraw/zinc/92/25/75/1080922575.db2.gz GMARGIDVLFAIIU-IBGZPJMESA-N 1 0 408.591 0.210 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000466129359 1080922388 /nfs/dbraw/zinc/92/23/88/1080922388.db2.gz GMARGIDVLFAIIU-LJQANCHMSA-N 1 0 408.591 0.210 20 0 HCADRO C[C@@H](CNC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)C[NH+]1CCN(C)CC1 ZINC000466129798 1080919482 /nfs/dbraw/zinc/91/94/82/1080919482.db2.gz IZGSNRUJMVKTOL-KRWDZBQOSA-N 1 0 419.574 0.455 20 0 HCADRO C[C@H](CNC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)C[NH+]1CCN(C)CC1 ZINC000466129800 1080919142 /nfs/dbraw/zinc/91/91/42/1080919142.db2.gz IZGSNRUJMVKTOL-QGZVFWFLSA-N 1 0 419.574 0.455 20 0 HCADRO CCOCCCNC(=O)C1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000466130328 1080918775 /nfs/dbraw/zinc/91/87/75/1080918775.db2.gz INONCPWSVVCAGB-GOSISDBHSA-N 1 0 411.591 0.834 20 0 HCADRO CCOCCCNC(=O)C1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000466130330 1080918315 /nfs/dbraw/zinc/91/83/15/1080918315.db2.gz INONCPWSVVCAGB-SFHVURJKSA-N 1 0 411.591 0.834 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466131048 1080923483 /nfs/dbraw/zinc/92/34/83/1080923483.db2.gz JMEZFKPEOMTMTR-IBGZPJMESA-N 1 0 408.591 0.210 20 0 HCADRO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466131049 1080923280 /nfs/dbraw/zinc/92/32/80/1080923280.db2.gz JMEZFKPEOMTMTR-LJQANCHMSA-N 1 0 408.591 0.210 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)C[NH+]1CCN(C)CC1 ZINC000466131366 1080919537 /nfs/dbraw/zinc/91/95/37/1080919537.db2.gz AIHCNHCFFDWFBM-KRWDZBQOSA-N 1 0 403.527 0.743 20 0 HCADRO C[C@H](CNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)C[NH+]1CCN(C)CC1 ZINC000466131367 1080919730 /nfs/dbraw/zinc/91/97/30/1080919730.db2.gz AIHCNHCFFDWFBM-QGZVFWFLSA-N 1 0 403.527 0.743 20 0 HCADRO CCN(CC)C(=O)CN1CCCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000466131386 1080920540 /nfs/dbraw/zinc/92/05/40/1080920540.db2.gz ALPFEXGXKWTZPJ-IBGZPJMESA-N 1 0 410.607 0.456 20 0 HCADRO CCN(CC)C(=O)CN1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000466131387 1080920694 /nfs/dbraw/zinc/92/06/94/1080920694.db2.gz ALPFEXGXKWTZPJ-LJQANCHMSA-N 1 0 410.607 0.456 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000466131414 1080923154 /nfs/dbraw/zinc/92/31/54/1080923154.db2.gz ATJVTFZGCSPSFZ-MSOLQXFVSA-N 1 0 408.591 0.254 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000466131434 1080919655 /nfs/dbraw/zinc/91/96/55/1080919655.db2.gz ATJVTFZGCSPSFZ-QZTJIDSGSA-N 1 0 408.591 0.254 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000466131436 1080919422 /nfs/dbraw/zinc/91/94/22/1080919422.db2.gz ATJVTFZGCSPSFZ-ROUUACIJSA-N 1 0 408.591 0.254 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000466131438 1080919222 /nfs/dbraw/zinc/91/92/22/1080919222.db2.gz ATJVTFZGCSPSFZ-ZWKOTPCHSA-N 1 0 408.591 0.254 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000466131611 1080925777 /nfs/dbraw/zinc/92/57/77/1080925777.db2.gz MIWWFPNWVUEKPM-PMACEKPBSA-N 1 0 422.618 0.598 20 0 HCADRO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000466131612 1080925526 /nfs/dbraw/zinc/92/55/26/1080925526.db2.gz MIWWFPNWVUEKPM-UXHICEINSA-N 1 0 422.618 0.598 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000466131613 1080925081 /nfs/dbraw/zinc/92/50/81/1080925081.db2.gz MIWWFPNWVUEKPM-VQTJNVASSA-N 1 0 422.618 0.598 20 0 HCADRO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000466131614 1080924923 /nfs/dbraw/zinc/92/49/23/1080924923.db2.gz MIWWFPNWVUEKPM-WOJBJXKFSA-N 1 0 422.618 0.598 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC000466131778 1080924532 /nfs/dbraw/zinc/92/45/32/1080924532.db2.gz BAZQTFSGNZHJFP-CEXWTWQISA-N 1 0 411.591 0.833 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC000466131779 1080924271 /nfs/dbraw/zinc/92/42/71/1080924271.db2.gz BAZQTFSGNZHJFP-GUDVDZBRSA-N 1 0 411.591 0.833 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC000466131780 1080924972 /nfs/dbraw/zinc/92/49/72/1080924972.db2.gz BAZQTFSGNZHJFP-QRVBRYPASA-N 1 0 411.591 0.833 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC000466131781 1080925635 /nfs/dbraw/zinc/92/56/35/1080925635.db2.gz BAZQTFSGNZHJFP-QYZOEREBSA-N 1 0 411.591 0.833 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC000466131836 1080925585 /nfs/dbraw/zinc/92/55/85/1080925585.db2.gz KJXGXKINYQQHGU-APWZRJJASA-N 1 0 407.563 0.579 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC000466131837 1080924869 /nfs/dbraw/zinc/92/48/69/1080924869.db2.gz KJXGXKINYQQHGU-LPHOPBHVSA-N 1 0 407.563 0.579 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000466131838 1080925730 /nfs/dbraw/zinc/92/57/30/1080925730.db2.gz KJXGXKINYQQHGU-QFBILLFUSA-N 1 0 407.563 0.579 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000466131839 1080925400 /nfs/dbraw/zinc/92/54/00/1080925400.db2.gz KJXGXKINYQQHGU-VQIMIIECSA-N 1 0 407.563 0.579 20 0 HCADRO C[C@@H](CNC(=O)N1CCC(C(=O)Nc2nncs2)CC1)C[NH+]1CCN(C)CC1 ZINC000466132156 1080924432 /nfs/dbraw/zinc/92/44/32/1080924432.db2.gz BQQHOAXYHFNQCO-AWEZNQCLSA-N 1 0 409.560 0.782 20 0 HCADRO C[C@H](CNC(=O)N1CCC(C(=O)Nc2nncs2)CC1)C[NH+]1CCN(C)CC1 ZINC000466132157 1080923984 /nfs/dbraw/zinc/92/39/84/1080923984.db2.gz BQQHOAXYHFNQCO-CQSZACIVSA-N 1 0 409.560 0.782 20 0 HCADRO C[C@@H](CNC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)C[NH+]1CCN(C)CC1 ZINC000466132722 1080926351 /nfs/dbraw/zinc/92/63/51/1080926351.db2.gz MFICXBNXATYEEK-KRWDZBQOSA-N 1 0 423.583 0.926 20 0 HCADRO C[C@H](CNC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)C[NH+]1CCN(C)CC1 ZINC000466132723 1080926678 /nfs/dbraw/zinc/92/66/78/1080926678.db2.gz MFICXBNXATYEEK-QGZVFWFLSA-N 1 0 423.583 0.926 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000466134026 1080932715 /nfs/dbraw/zinc/93/27/15/1080932715.db2.gz GMEGDPCCBQFJKV-KRWDZBQOSA-N 1 0 417.558 0.286 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000466134027 1080933364 /nfs/dbraw/zinc/93/33/64/1080933364.db2.gz GMEGDPCCBQFJKV-QGZVFWFLSA-N 1 0 417.558 0.286 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466134490 1080923111 /nfs/dbraw/zinc/92/31/11/1080923111.db2.gz GZJFPOCOIAJKMM-FQEVSTJZSA-N 1 0 422.618 0.600 20 0 HCADRO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466134492 1080923561 /nfs/dbraw/zinc/92/35/61/1080923561.db2.gz GZJFPOCOIAJKMM-HXUWFJFHSA-N 1 0 422.618 0.600 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466134783 1080930554 /nfs/dbraw/zinc/93/05/54/1080930554.db2.gz ANJYKBWLGRBISM-IBGZPJMESA-N 1 0 422.618 0.646 20 0 HCADRO C[C@H](CNC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466134784 1080930598 /nfs/dbraw/zinc/93/05/98/1080930598.db2.gz ANJYKBWLGRBISM-LJQANCHMSA-N 1 0 422.618 0.646 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C[NH+]1CCN(C)CC1 ZINC000466136335 1080931326 /nfs/dbraw/zinc/93/13/26/1080931326.db2.gz RBQIPPZPPZOOGO-INIZCTEOSA-N 1 0 415.546 0.078 20 0 HCADRO C[C@H](CNC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C[NH+]1CCN(C)CC1 ZINC000466136347 1080931178 /nfs/dbraw/zinc/93/11/78/1080931178.db2.gz RBQIPPZPPZOOGO-MRXNPFEDSA-N 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C[C@@H](CNC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466137716 1080934470 /nfs/dbraw/zinc/93/44/70/1080934470.db2.gz SHVVUSMKKUNWMX-IBGZPJMESA-N 1 0 422.618 0.456 20 0 HCADRO C[C@H](CNC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466137717 1080934989 /nfs/dbraw/zinc/93/49/89/1080934989.db2.gz SHVVUSMKKUNWMX-LJQANCHMSA-N 1 0 422.618 0.456 20 0 HCADRO C[C@H](CNC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2)C[NH+]1CCN(C)CC1 ZINC000466138382 1080933706 /nfs/dbraw/zinc/93/37/06/1080933706.db2.gz SZXVGXCRVCEOMW-CVEARBPZSA-N 1 0 408.499 0.338 20 0 HCADRO C[C@@H](CNC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2)C[NH+]1CCN(C)CC1 ZINC000466138383 1080935090 /nfs/dbraw/zinc/93/50/90/1080935090.db2.gz SZXVGXCRVCEOMW-HOTGVXAUSA-N 1 0 408.499 0.338 20 0 HCADRO C[C@H](CNC(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2)C[NH+]1CCN(C)CC1 ZINC000466138385 1080934589 /nfs/dbraw/zinc/93/45/89/1080934589.db2.gz SZXVGXCRVCEOMW-HZPDHXFCSA-N 1 0 408.499 0.338 20 0 HCADRO C[C@@H](CNC(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2)C[NH+]1CCN(C)CC1 ZINC000466138387 1080934947 /nfs/dbraw/zinc/93/49/47/1080934947.db2.gz SZXVGXCRVCEOMW-JKSUJKDBSA-N 1 0 408.499 0.338 20 0 HCADRO CCS(=O)(=O)N1CCN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000466139328 1080935351 /nfs/dbraw/zinc/93/53/51/1080935351.db2.gz FISUQAHXKTWVNO-UHFFFAOYSA-N 1 0 415.604 0.614 20 0 HCADRO CCS(=O)(=O)N(C)C1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000466140736 1080939776 /nfs/dbraw/zinc/93/97/76/1080939776.db2.gz VMHCTHTYKVEBBQ-INIZCTEOSA-N 1 0 403.593 0.325 20 0 HCADRO CCS(=O)(=O)N(C)C1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000466140738 1080939649 /nfs/dbraw/zinc/93/96/49/1080939649.db2.gz VMHCTHTYKVEBBQ-MRXNPFEDSA-N 1 0 403.593 0.325 20 0 HCADRO C[C@H](CNC(=O)NC[C@H](O)COc1ccc(F)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000466141191 1080938814 /nfs/dbraw/zinc/93/88/14/1080938814.db2.gz WSVCGHOSCBGHIK-CABCVRRESA-N 1 0 400.470 0.887 20 0 HCADRO C[C@@H](CNC(=O)NC[C@H](O)COc1ccc(F)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000466141192 1080939092 /nfs/dbraw/zinc/93/90/92/1080939092.db2.gz WSVCGHOSCBGHIK-GJZGRUSLSA-N 1 0 400.470 0.887 20 0 HCADRO C[C@H](CNC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000466141193 1080939195 /nfs/dbraw/zinc/93/91/95/1080939195.db2.gz WSVCGHOSCBGHIK-HUUCEWRRSA-N 1 0 400.470 0.887 20 0 HCADRO C[C@@H](CNC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000466141194 1080939305 /nfs/dbraw/zinc/93/93/05/1080939305.db2.gz WSVCGHOSCBGHIK-LSDHHAIUSA-N 1 0 400.470 0.887 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)CC1 ZINC000466141473 1080939018 /nfs/dbraw/zinc/93/90/18/1080939018.db2.gz KPRWZUUOZGQGRY-KRWDZBQOSA-N 1 0 417.620 0.716 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)CC1 ZINC000466141474 1080938870 /nfs/dbraw/zinc/93/88/70/1080938870.db2.gz KPRWZUUOZGQGRY-QGZVFWFLSA-N 1 0 417.620 0.716 20 0 HCADRO CN1CCC(CNC(=O)N2CCN(S(C)(=O)=O)CC2)([NH+]2CCCCC2)CC1 ZINC000466141641 1080937878 /nfs/dbraw/zinc/93/78/78/1080937878.db2.gz FWTXRNWQQUGWNQ-UHFFFAOYSA-N 1 0 401.577 0.224 20 0 HCADRO CCN(CC)C(=O)CN1CCCN(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000466143013 1080938103 /nfs/dbraw/zinc/93/81/03/1080938103.db2.gz OOSDTYDWHLJNNP-FQEVSTJZSA-N 1 0 424.634 0.846 20 0 HCADRO CCN(CC)C(=O)CN1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000466143017 1080938329 /nfs/dbraw/zinc/93/83/29/1080938329.db2.gz OOSDTYDWHLJNNP-HXUWFJFHSA-N 1 0 424.634 0.846 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(Cc2nccn2C(F)F)CC1)C[NH+]1CCN(C)CC1 ZINC000466143248 1080937654 /nfs/dbraw/zinc/93/76/54/1080937654.db2.gz MGUWJJDMPSDOGG-INIZCTEOSA-N 1 0 413.517 0.989 20 0 HCADRO C[C@H](CNC(=O)N1CCN(Cc2nccn2C(F)F)CC1)C[NH+]1CCN(C)CC1 ZINC000466143249 1080937834 /nfs/dbraw/zinc/93/78/34/1080937834.db2.gz MGUWJJDMPSDOGG-MRXNPFEDSA-N 1 0 413.517 0.989 20 0 HCADRO C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000466143655 1080942452 /nfs/dbraw/zinc/94/24/52/1080942452.db2.gz YIRMZHMEHUTRCD-GOSISDBHSA-N 1 0 423.583 0.586 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000466143663 1080942311 /nfs/dbraw/zinc/94/23/11/1080942311.db2.gz YIRMZHMEHUTRCD-SFHVURJKSA-N 1 0 423.583 0.586 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000466143692 1080942739 /nfs/dbraw/zinc/94/27/39/1080942739.db2.gz QFONTUHSOFPIKN-UHFFFAOYSA-N 1 0 422.618 0.789 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000466143767 1080942590 /nfs/dbraw/zinc/94/25/90/1080942590.db2.gz YPHAKYZSYCRXKS-DLBZAZTESA-N 1 0 403.593 0.373 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000466143770 1080942194 /nfs/dbraw/zinc/94/21/94/1080942194.db2.gz YPHAKYZSYCRXKS-IAGOWNOFSA-N 1 0 403.593 0.373 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000466143773 1080942365 /nfs/dbraw/zinc/94/23/65/1080942365.db2.gz YPHAKYZSYCRXKS-IRXDYDNUSA-N 1 0 403.593 0.373 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000466143775 1080942781 /nfs/dbraw/zinc/94/27/81/1080942781.db2.gz YPHAKYZSYCRXKS-SJORKVTESA-N 1 0 403.593 0.373 20 0 HCADRO CCCS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000466144004 1080941881 /nfs/dbraw/zinc/94/18/81/1080941881.db2.gz YGYCLCZQVRJQOQ-INIZCTEOSA-N 1 0 403.593 0.373 20 0 HCADRO CCCS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000466144005 1080941534 /nfs/dbraw/zinc/94/15/34/1080941534.db2.gz YGYCLCZQVRJQOQ-MRXNPFEDSA-N 1 0 403.593 0.373 20 0 HCADRO C[C@@H](CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)C[NH+]1CCN(C)CC1 ZINC000466144135 1080941774 /nfs/dbraw/zinc/94/17/74/1080941774.db2.gz OGDHTMUHSVLXAT-DLBZAZTESA-N 1 0 403.593 0.373 20 0 HCADRO C[C@H](CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)C[NH+]1CCN(C)CC1 ZINC000466144137 1080941757 /nfs/dbraw/zinc/94/17/57/1080941757.db2.gz OGDHTMUHSVLXAT-IAGOWNOFSA-N 1 0 403.593 0.373 20 0 HCADRO C[C@@H](CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)C[NH+]1CCN(C)CC1 ZINC000466144140 1080941717 /nfs/dbraw/zinc/94/17/17/1080941717.db2.gz OGDHTMUHSVLXAT-IRXDYDNUSA-N 1 0 403.593 0.373 20 0 HCADRO C[C@H](CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)C[NH+]1CCN(C)CC1 ZINC000466144141 1080941835 /nfs/dbraw/zinc/94/18/35/1080941835.db2.gz OGDHTMUHSVLXAT-SJORKVTESA-N 1 0 403.593 0.373 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000466147568 1080940243 /nfs/dbraw/zinc/94/02/43/1080940243.db2.gz TZAQUSBYJZGHIP-IBGZPJMESA-N 1 0 416.570 0.836 20 0 HCADRO C[C@H](CNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000466147569 1080940465 /nfs/dbraw/zinc/94/04/65/1080940465.db2.gz TZAQUSBYJZGHIP-LJQANCHMSA-N 1 0 416.570 0.836 20 0 HCADRO CCN(C1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1)S(C)(=O)=O ZINC000466147963 1080945266 /nfs/dbraw/zinc/94/52/66/1080945266.db2.gz QUMLLVZCUCFKQG-INIZCTEOSA-N 1 0 403.593 0.325 20 0 HCADRO CCN(C1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1)S(C)(=O)=O ZINC000466147964 1080945329 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HCADRO CN1CCC(CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)([NH+]2CCCCC2)CC1 ZINC000466155627 1080958249 /nfs/dbraw/zinc/95/82/49/1080958249.db2.gz XPEFBZPQKUWFOX-UHFFFAOYSA-N 1 0 420.602 0.543 20 0 HCADRO CCS(=O)(=O)NCCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000466157068 1080958391 /nfs/dbraw/zinc/95/83/91/1080958391.db2.gz JRYIPGLPFVLLBJ-UHFFFAOYSA-N 1 0 403.593 0.565 20 0 HCADRO C[C@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)CC2)CCO1 ZINC000466158703 1080963421 /nfs/dbraw/zinc/96/34/21/1080963421.db2.gz DWAFAVYQLPSXKK-DOTOQJQBSA-N 1 0 404.515 0.810 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)CC2)CCO1 ZINC000466158705 1080963930 /nfs/dbraw/zinc/96/39/30/1080963930.db2.gz DWAFAVYQLPSXKK-NVXWUHKLSA-N 1 0 404.515 0.810 20 0 HCADRO C[C@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)CC2)CCO1 ZINC000466158707 1080963331 /nfs/dbraw/zinc/96/33/31/1080963331.db2.gz DWAFAVYQLPSXKK-RDJZCZTQSA-N 1 0 404.515 0.810 20 0 HCADRO 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CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000466171041 1080977320 /nfs/dbraw/zinc/97/73/20/1080977320.db2.gz UJIGDAGKUCQCEO-QGZVFWFLSA-N 1 0 405.547 0.583 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000466175251 1080981358 /nfs/dbraw/zinc/98/13/58/1080981358.db2.gz YNVJPCDSSAAHPT-INIZCTEOSA-N 1 0 419.530 0.111 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000466175255 1080981161 /nfs/dbraw/zinc/98/11/61/1080981161.db2.gz YNVJPCDSSAAHPT-MRXNPFEDSA-N 1 0 419.530 0.111 20 0 HCADRO NC(=O)COc1cccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000466194698 1081008602 /nfs/dbraw/zinc/00/86/02/1081008602.db2.gz HZXPXYDANRTZRH-UHFFFAOYSA-N 1 0 403.483 0.000 20 0 HCADRO COc1ccccc1S(=O)(=O)CCCN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000466199564 1081004448 /nfs/dbraw/zinc/00/44/48/1081004448.db2.gz FGEFSUFHZWUWMD-AWEZNQCLSA-N 1 0 405.542 0.364 20 0 HCADRO CNC(=O)N[C@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000466206220 1081011479 /nfs/dbraw/zinc/01/14/79/1081011479.db2.gz DNRQCCFOPCDVTI-INIZCTEOSA-N 1 0 404.519 0.092 20 0 HCADRO CNC(=O)N[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000466206224 1081011375 /nfs/dbraw/zinc/01/13/75/1081011375.db2.gz DNRQCCFOPCDVTI-MRXNPFEDSA-N 1 0 404.519 0.092 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCN4C(=O)NC[C@H]4C3)CC2)c1 ZINC000466210252 1081018584 /nfs/dbraw/zinc/01/85/84/1081018584.db2.gz LYYDVVWRMCBSJL-IBGZPJMESA-N 1 0 400.527 0.926 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)c1 ZINC000466210253 1081018521 /nfs/dbraw/zinc/01/85/21/1081018521.db2.gz LYYDVVWRMCBSJL-LJQANCHMSA-N 1 0 400.527 0.926 20 0 HCADRO NC(=O)COc1cccc(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000466214426 1081017397 /nfs/dbraw/zinc/01/73/97/1081017397.db2.gz ADUZMSFSTAMMOK-JOCHJYFZSA-N 1 0 412.490 0.987 20 0 HCADRO NC(=O)COc1cccc(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000466214435 1081017360 /nfs/dbraw/zinc/01/73/60/1081017360.db2.gz ADUZMSFSTAMMOK-QFIPXVFZSA-N 1 0 412.490 0.987 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000466215337 1081021153 /nfs/dbraw/zinc/02/11/53/1081021153.db2.gz KKZSKSRWWZZCHK-BEFAXECRSA-N 1 0 422.551 0.989 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000466215338 1081020933 /nfs/dbraw/zinc/02/09/33/1081020933.db2.gz KKZSKSRWWZZCHK-DNVCBOLYSA-N 1 0 422.551 0.989 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000466215339 1081021083 /nfs/dbraw/zinc/02/10/83/1081021083.db2.gz KKZSKSRWWZZCHK-HNAYVOBHSA-N 1 0 422.551 0.989 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000466215340 1081021169 /nfs/dbraw/zinc/02/11/69/1081021169.db2.gz KKZSKSRWWZZCHK-KXBFYZLASA-N 1 0 422.551 0.989 20 0 HCADRO CNC(=O)N[C@H]1CCN(C(=O)NCc2cccc(OCC[N@H+](C)CCOC)c2)C1 ZINC000466215929 1081019015 /nfs/dbraw/zinc/01/90/15/1081019015.db2.gz GPRARYWEASCTOT-KRWDZBQOSA-N 1 0 407.515 0.857 20 0 HCADRO CNC(=O)N[C@@H]1CCN(C(=O)NCc2cccc(OCC[N@H+](C)CCOC)c2)C1 ZINC000466215930 1081018972 /nfs/dbraw/zinc/01/89/72/1081018972.db2.gz GPRARYWEASCTOT-QGZVFWFLSA-N 1 0 407.515 0.857 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000466217270 1081019188 /nfs/dbraw/zinc/01/91/88/1081019188.db2.gz MPDZIJISBKEITQ-GOSISDBHSA-N 1 0 403.527 0.862 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000466217271 1081019376 /nfs/dbraw/zinc/01/93/76/1081019376.db2.gz MPDZIJISBKEITQ-SFHVURJKSA-N 1 0 403.527 0.862 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000466217781 1081019568 /nfs/dbraw/zinc/01/95/68/1081019568.db2.gz OEJSRWUACFYONW-UHFFFAOYSA-N 1 0 405.499 0.246 20 0 HCADRO COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000466218853 1081019988 /nfs/dbraw/zinc/01/99/88/1081019988.db2.gz SRBPSFSRNJTFDT-KBXCAEBGSA-N 1 0 410.540 0.893 20 0 HCADRO COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000466218854 1081020015 /nfs/dbraw/zinc/02/00/15/1081020015.db2.gz SRBPSFSRNJTFDT-KDOFPFPSSA-N 1 0 410.540 0.893 20 0 HCADRO COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000466218855 1081020104 /nfs/dbraw/zinc/02/01/04/1081020104.db2.gz SRBPSFSRNJTFDT-KSSFIOAISA-N 1 0 410.540 0.893 20 0 HCADRO COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000466218856 1081020592 /nfs/dbraw/zinc/02/05/92/1081020592.db2.gz SRBPSFSRNJTFDT-RDTXWAMCSA-N 1 0 410.540 0.893 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000466221922 1081022335 /nfs/dbraw/zinc/02/23/35/1081022335.db2.gz HCTHWFDHRYYMLY-MOPGFXCFSA-N 1 0 400.527 0.784 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)N2CCN3C(=O)NC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000466221924 1081022134 /nfs/dbraw/zinc/02/21/34/1081022134.db2.gz HCTHWFDHRYYMLY-OALUTQOASA-N 1 0 400.527 0.784 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)N2CCN3C(=O)NC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000466221926 1081022434 /nfs/dbraw/zinc/02/24/34/1081022434.db2.gz HCTHWFDHRYYMLY-RBUKOAKNSA-N 1 0 400.527 0.784 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000466221927 1081022260 /nfs/dbraw/zinc/02/22/60/1081022260.db2.gz HCTHWFDHRYYMLY-RTBURBONSA-N 1 0 400.527 0.784 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCN4C(=O)NC[C@H]4C3)cc2)CC1 ZINC000466223845 1081023420 /nfs/dbraw/zinc/02/34/20/1081023420.db2.gz JMRJMCOJTWTAJV-IBGZPJMESA-N 1 0 400.527 0.743 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCN4C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000466223846 1081023516 /nfs/dbraw/zinc/02/35/16/1081023516.db2.gz JMRJMCOJTWTAJV-LJQANCHMSA-N 1 0 400.527 0.743 20 0 HCADRO CCOc1cc(NC2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)ncn1 ZINC000466224660 1081022896 /nfs/dbraw/zinc/02/28/96/1081022896.db2.gz KWQJGPNQFAYYNT-INIZCTEOSA-N 1 0 419.530 0.801 20 0 HCADRO CCOc1cc(NC2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)ncn1 ZINC000466224661 1081024075 /nfs/dbraw/zinc/02/40/75/1081024075.db2.gz KWQJGPNQFAYYNT-MRXNPFEDSA-N 1 0 419.530 0.801 20 0 HCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466225650 1081023952 /nfs/dbraw/zinc/02/39/52/1081023952.db2.gz MTVTZMNNUWKIPI-IBGZPJMESA-N 1 0 400.527 0.613 20 0 HCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466225653 1081024028 /nfs/dbraw/zinc/02/40/28/1081024028.db2.gz MTVTZMNNUWKIPI-LJQANCHMSA-N 1 0 400.527 0.613 20 0 HCADRO CN(Cc1nnnn1C)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000466227541 1081021723 /nfs/dbraw/zinc/02/17/23/1081021723.db2.gz OZVKSGHLBSOGRF-UHFFFAOYSA-N 1 0 400.531 0.950 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000466230087 1081025505 /nfs/dbraw/zinc/02/55/05/1081025505.db2.gz XAOSPXJWMDYDDP-IBGZPJMESA-N 1 0 400.527 0.743 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000466230088 1081025324 /nfs/dbraw/zinc/02/53/24/1081025324.db2.gz XAOSPXJWMDYDDP-LJQANCHMSA-N 1 0 400.527 0.743 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccnc(N3CC[NH+](C)CC3)c1)CC2 ZINC000466234402 1081031306 /nfs/dbraw/zinc/03/13/06/1081031306.db2.gz ZBFIXNJSHHRKJO-INIZCTEOSA-N 1 0 414.514 0.386 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)NCc1ccnc(N3CC[NH+](C)CC3)c1)CC2 ZINC000466234403 1081031124 /nfs/dbraw/zinc/03/11/24/1081031124.db2.gz ZBFIXNJSHHRKJO-MRXNPFEDSA-N 1 0 414.514 0.386 20 0 HCADRO COc1ccc(CN2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2=O)cc1 ZINC000466237266 1081029387 /nfs/dbraw/zinc/02/93/87/1081029387.db2.gz QGGYIUJADDGJGO-GOSISDBHSA-N 1 0 403.527 0.685 20 0 HCADRO COc1ccc(CN2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2=O)cc1 ZINC000466237275 1081029864 /nfs/dbraw/zinc/02/98/64/1081029864.db2.gz QGGYIUJADDGJGO-SFHVURJKSA-N 1 0 403.527 0.685 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N(C)CC[N@H+](C)C3CCN(C)CC3)C2=O)n(C)n1 ZINC000466237301 1081030093 /nfs/dbraw/zinc/03/00/93/1081030093.db2.gz BSMZUGUBYGHIIS-KRWDZBQOSA-N 1 0 405.547 0.501 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N(C)CC[N@H+](C)C3CCN(C)CC3)C2=O)n(C)n1 ZINC000466237309 1081029693 /nfs/dbraw/zinc/02/96/93/1081029693.db2.gz BSMZUGUBYGHIIS-QGZVFWFLSA-N 1 0 405.547 0.501 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000466239697 1081037223 /nfs/dbraw/zinc/03/72/23/1081037223.db2.gz CBVADUXCAYFLLK-DLBZAZTESA-N 1 0 403.531 0.255 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000466239698 1081037297 /nfs/dbraw/zinc/03/72/97/1081037297.db2.gz CBVADUXCAYFLLK-IAGOWNOFSA-N 1 0 403.531 0.255 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000466239699 1081037100 /nfs/dbraw/zinc/03/71/00/1081037100.db2.gz CBVADUXCAYFLLK-IRXDYDNUSA-N 1 0 403.531 0.255 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000466239700 1081037818 /nfs/dbraw/zinc/03/78/18/1081037818.db2.gz CBVADUXCAYFLLK-SJORKVTESA-N 1 0 403.531 0.255 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)C2=O)n(C)n1 ZINC000466241895 1081038803 /nfs/dbraw/zinc/03/88/03/1081038803.db2.gz FPTCBFAMXYJPHP-DLBZAZTESA-N 1 0 404.515 0.588 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C2=O)n(C)n1 ZINC000466241897 1081038502 /nfs/dbraw/zinc/03/85/02/1081038502.db2.gz FPTCBFAMXYJPHP-IAGOWNOFSA-N 1 0 404.515 0.588 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)C2=O)n(C)n1 ZINC000466241899 1081038521 /nfs/dbraw/zinc/03/85/21/1081038521.db2.gz FPTCBFAMXYJPHP-IRXDYDNUSA-N 1 0 404.515 0.588 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C2=O)n(C)n1 ZINC000466241901 1081038780 /nfs/dbraw/zinc/03/87/80/1081038780.db2.gz FPTCBFAMXYJPHP-SJORKVTESA-N 1 0 404.515 0.588 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2=O)n(C)n1 ZINC000466243535 1081039232 /nfs/dbraw/zinc/03/92/32/1081039232.db2.gz GNXDXFQPROTTTI-MSOLQXFVSA-N 1 0 417.558 0.645 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2=O)n(C)n1 ZINC000466243566 1081038485 /nfs/dbraw/zinc/03/84/85/1081038485.db2.gz GNXDXFQPROTTTI-QZTJIDSGSA-N 1 0 417.558 0.645 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2=O)n(C)n1 ZINC000466243570 1081038824 /nfs/dbraw/zinc/03/88/24/1081038824.db2.gz GNXDXFQPROTTTI-ROUUACIJSA-N 1 0 417.558 0.645 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2=O)n(C)n1 ZINC000466243576 1081038593 /nfs/dbraw/zinc/03/85/93/1081038593.db2.gz GNXDXFQPROTTTI-ZWKOTPCHSA-N 1 0 417.558 0.645 20 0 HCADRO Cc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1NC(=O)CC[NH+](C)C ZINC000466243634 1081038445 /nfs/dbraw/zinc/03/84/45/1081038445.db2.gz IKGUFPKDJBTANP-UHFFFAOYSA-N 1 0 411.466 0.967 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000466246649 1081040425 /nfs/dbraw/zinc/04/04/25/1081040425.db2.gz LZDLRTCKCRZDGY-INIZCTEOSA-N 1 0 419.530 0.029 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000466246653 1081040313 /nfs/dbraw/zinc/04/03/13/1081040313.db2.gz LZDLRTCKCRZDGY-MRXNPFEDSA-N 1 0 419.530 0.029 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N3CC[NH+](CC4CCOCC4)CC3)C2=O)n(C)n1 ZINC000466248154 1081041776 /nfs/dbraw/zinc/04/17/76/1081041776.db2.gz MTKJXBAPCGJUIG-KRWDZBQOSA-N 1 0 404.515 0.588 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N3CC[NH+](CC4CCOCC4)CC3)C2=O)n(C)n1 ZINC000466248158 1081041600 /nfs/dbraw/zinc/04/16/00/1081041600.db2.gz MTKJXBAPCGJUIG-QGZVFWFLSA-N 1 0 404.515 0.588 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCC(CC[NH+]4CCOCC4)CC3)C2=O)n(C)n1 ZINC000466248990 1081042285 /nfs/dbraw/zinc/04/22/85/1081042285.db2.gz NTRMOKBUQIUWHQ-GOSISDBHSA-N 1 0 418.542 0.978 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N3CCC(CC[NH+]4CCOCC4)CC3)C2=O)n(C)n1 ZINC000466248991 1081042189 /nfs/dbraw/zinc/04/21/89/1081042189.db2.gz NTRMOKBUQIUWHQ-SFHVURJKSA-N 1 0 418.542 0.978 20 0 HCADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000466253579 1081043514 /nfs/dbraw/zinc/04/35/14/1081043514.db2.gz QIIRXWBCQRJCMH-KRWDZBQOSA-N 1 0 405.499 0.563 20 0 HCADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000466253582 1081043397 /nfs/dbraw/zinc/04/33/97/1081043397.db2.gz QIIRXWBCQRJCMH-QGZVFWFLSA-N 1 0 405.499 0.563 20 0 HCADRO Cc1ccc(NC(=O)c2cn(CC(=O)N(C)C)nn2)cc1NC(=O)CC[NH+](C)C ZINC000466257516 1081045286 /nfs/dbraw/zinc/04/52/86/1081045286.db2.gz SCIQRBMUFYJECQ-UHFFFAOYSA-N 1 0 401.471 0.817 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCN(c4cc(C)nn4C)C3=O)CC2)c1 ZINC000466259053 1081046231 /nfs/dbraw/zinc/04/62/31/1081046231.db2.gz UEALHQPOQRDPJY-INIZCTEOSA-N 1 0 413.482 0.769 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)CC2)c1 ZINC000466259060 1081046127 /nfs/dbraw/zinc/04/61/27/1081046127.db2.gz UEALHQPOQRDPJY-MRXNPFEDSA-N 1 0 413.482 0.769 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000466262345 1081047902 /nfs/dbraw/zinc/04/79/02/1081047902.db2.gz CFAZQSQEXSUHJZ-AEFFLSMTSA-N 1 0 400.527 0.902 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000466262346 1081047990 /nfs/dbraw/zinc/04/79/90/1081047990.db2.gz CFAZQSQEXSUHJZ-FUHWJXTLSA-N 1 0 400.527 0.902 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000466262349 1081048091 /nfs/dbraw/zinc/04/80/91/1081048091.db2.gz CFAZQSQEXSUHJZ-SJLPKXTDSA-N 1 0 400.527 0.902 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000466262351 1081047849 /nfs/dbraw/zinc/04/78/49/1081047849.db2.gz CFAZQSQEXSUHJZ-WMZOPIPTSA-N 1 0 400.527 0.902 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCC([N@H+]4CCO[C@@H](C)C4)CC3)C2=O)n(C)n1 ZINC000466265704 1081049951 /nfs/dbraw/zinc/04/99/51/1081049951.db2.gz FURJFFGCMRQDLO-DOTOQJQBSA-N 1 0 404.515 0.729 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCC([N@H+]4CCO[C@H](C)C4)CC3)C2=O)n(C)n1 ZINC000466265709 1081050028 /nfs/dbraw/zinc/05/00/28/1081050028.db2.gz FURJFFGCMRQDLO-NVXWUHKLSA-N 1 0 404.515 0.729 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N3CCC([N@H+]4CCO[C@@H](C)C4)CC3)C2=O)n(C)n1 ZINC000466265713 1081050122 /nfs/dbraw/zinc/05/01/22/1081050122.db2.gz FURJFFGCMRQDLO-RDJZCZTQSA-N 1 0 404.515 0.729 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N3CCC([N@H+]4CCO[C@H](C)C4)CC3)C2=O)n(C)n1 ZINC000466265717 1081049994 /nfs/dbraw/zinc/04/99/94/1081049994.db2.gz FURJFFGCMRQDLO-WBVHZDCISA-N 1 0 404.515 0.729 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000466274381 1081055461 /nfs/dbraw/zinc/05/54/61/1081055461.db2.gz OWGXQKMCOAVOJL-DOTOQJQBSA-N 1 0 401.515 0.297 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000466274382 1081055414 /nfs/dbraw/zinc/05/54/14/1081055414.db2.gz OWGXQKMCOAVOJL-NVXWUHKLSA-N 1 0 401.515 0.297 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000466274383 1081055548 /nfs/dbraw/zinc/05/55/48/1081055548.db2.gz OWGXQKMCOAVOJL-RDJZCZTQSA-N 1 0 401.515 0.297 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000466274384 1081055570 /nfs/dbraw/zinc/05/55/70/1081055570.db2.gz OWGXQKMCOAVOJL-WBVHZDCISA-N 1 0 401.515 0.297 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2=O)n(C)n1 ZINC000466278422 1081057063 /nfs/dbraw/zinc/05/70/63/1081057063.db2.gz POHAXFKXKAPZQL-KRWDZBQOSA-N 1 0 404.515 0.588 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2=O)n(C)n1 ZINC000466278423 1081056892 /nfs/dbraw/zinc/05/68/92/1081056892.db2.gz POHAXFKXKAPZQL-QGZVFWFLSA-N 1 0 404.515 0.588 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)CC2 ZINC000466289917 1081062521 /nfs/dbraw/zinc/06/25/21/1081062521.db2.gz WLDGSNCLBWFABZ-INIZCTEOSA-N 1 0 414.514 0.386 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)CC2 ZINC000466289918 1081062588 /nfs/dbraw/zinc/06/25/88/1081062588.db2.gz WLDGSNCLBWFABZ-MRXNPFEDSA-N 1 0 414.514 0.386 20 0 HCADRO O=C(C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1)N1CCCC1 ZINC000466291930 1081063557 /nfs/dbraw/zinc/06/35/57/1081063557.db2.gz WHEPPZDVFNIOHY-GOSISDBHSA-N 1 0 405.543 0.727 20 0 HCADRO O=C(C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1)N1CCCC1 ZINC000466291931 1081063311 /nfs/dbraw/zinc/06/33/11/1081063311.db2.gz WHEPPZDVFNIOHY-SFHVURJKSA-N 1 0 405.543 0.727 20 0 HCADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466291976 1081063465 /nfs/dbraw/zinc/06/34/65/1081063465.db2.gz WXYAOHZFWPLTKH-AZUAARDMSA-N 1 0 421.586 0.825 20 0 HCADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466291977 1081063220 /nfs/dbraw/zinc/06/32/20/1081063220.db2.gz WXYAOHZFWPLTKH-ICSRJNTNSA-N 1 0 421.586 0.825 20 0 HCADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466291978 1081063485 /nfs/dbraw/zinc/06/34/85/1081063485.db2.gz WXYAOHZFWPLTKH-QUCCMNQESA-N 1 0 421.586 0.825 20 0 HCADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466291979 1081063408 /nfs/dbraw/zinc/06/34/08/1081063408.db2.gz WXYAOHZFWPLTKH-UYAOXDASSA-N 1 0 421.586 0.825 20 0 HCADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466293147 1081063831 /nfs/dbraw/zinc/06/38/31/1081063831.db2.gz KMZJSFIWMGPLRX-AAEUAGOBSA-N 1 0 405.480 0.983 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466293148 1081064003 /nfs/dbraw/zinc/06/40/03/1081064003.db2.gz KMZJSFIWMGPLRX-DGCLKSJQSA-N 1 0 405.480 0.983 20 0 HCADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466293149 1081063851 /nfs/dbraw/zinc/06/38/51/1081063851.db2.gz KMZJSFIWMGPLRX-WCQYABFASA-N 1 0 405.480 0.983 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466293150 1081063907 /nfs/dbraw/zinc/06/39/07/1081063907.db2.gz KMZJSFIWMGPLRX-YPMHNXCESA-N 1 0 405.480 0.983 20 0 HCADRO O=C(CN1CCOCC1)N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466293251 1081063273 /nfs/dbraw/zinc/06/32/73/1081063273.db2.gz LSBZVUGXVLOGEB-IBGZPJMESA-N 1 0 407.559 0.437 20 0 HCADRO O=C(CN1CCOCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466293252 1081063445 /nfs/dbraw/zinc/06/34/45/1081063445.db2.gz LSBZVUGXVLOGEB-LJQANCHMSA-N 1 0 407.559 0.437 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)NCCc1ccc3c(c1)OCCO3)CC2 ZINC000466295544 1081064289 /nfs/dbraw/zinc/06/42/89/1081064289.db2.gz DGSCYWFGZCSXAW-GDBMZVCRSA-N 1 0 415.494 0.848 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccc3c(c1)OCCO3)CC2 ZINC000466295545 1081064392 /nfs/dbraw/zinc/06/43/92/1081064392.db2.gz DGSCYWFGZCSXAW-GOEBONIOSA-N 1 0 415.494 0.848 20 0 HCADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc3c(c1)OCCO3)CC2 ZINC000466295546 1081064366 /nfs/dbraw/zinc/06/43/66/1081064366.db2.gz DGSCYWFGZCSXAW-HOCLYGCPSA-N 1 0 415.494 0.848 20 0 HCADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccc3c(c1)OCCO3)CC2 ZINC000466295547 1081064260 /nfs/dbraw/zinc/06/42/60/1081064260.db2.gz DGSCYWFGZCSXAW-ZBFHGGJFSA-N 1 0 415.494 0.848 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)CC2 ZINC000466300802 1081069840 /nfs/dbraw/zinc/06/98/40/1081069840.db2.gz VPQQZVNZZWSMGL-CHWSQXEVSA-N 1 0 407.496 0.760 20 0 HCADRO CCCN(C(=O)[C@H](C)[NH2+][C@H]1CCc2nc(COC)nn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000466301052 1081064297 /nfs/dbraw/zinc/06/42/97/1081064297.db2.gz VVHOPJZJJSCSLV-KKUMJFAQSA-N 1 0 413.544 0.143 20 0 HCADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(COC)nn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000466301053 1081064399 /nfs/dbraw/zinc/06/43/99/1081064399.db2.gz VVHOPJZJJSCSLV-RRFJBIMHSA-N 1 0 413.544 0.143 20 0 HCADRO CCCN(C(=O)[C@H](C)[NH2+][C@H]1CCc2nc(COC)nn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000466301054 1081065328 /nfs/dbraw/zinc/06/53/28/1081065328.db2.gz VVHOPJZJJSCSLV-SOUVJXGZSA-N 1 0 413.544 0.143 20 0 HCADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(COC)nn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000466301055 1081065803 /nfs/dbraw/zinc/06/58/03/1081065803.db2.gz VVHOPJZJJSCSLV-ZNMIVQPWSA-N 1 0 413.544 0.143 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)NC[C@H]1COc3ccccc3O1)CC2 ZINC000466301056 1081065766 /nfs/dbraw/zinc/06/57/66/1081065766.db2.gz VVKUGSFQGUARQC-KFWWJZLASA-N 1 0 401.467 0.674 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)NC[C@@H]1COc3ccccc3O1)CC2 ZINC000466301057 1081066351 /nfs/dbraw/zinc/06/63/51/1081066351.db2.gz VVKUGSFQGUARQC-RBSFLKMASA-N 1 0 401.467 0.674 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1COc3ccccc3O1)CC2 ZINC000466301058 1081065469 /nfs/dbraw/zinc/06/54/69/1081065469.db2.gz VVKUGSFQGUARQC-RRFJBIMHSA-N 1 0 401.467 0.674 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)NC[C@H]1COc3ccccc3O1)CC2 ZINC000466301059 1081065339 /nfs/dbraw/zinc/06/53/39/1081065339.db2.gz VVKUGSFQGUARQC-ZNMIVQPWSA-N 1 0 401.467 0.674 20 0 HCADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)CC2 ZINC000466301110 1081065782 /nfs/dbraw/zinc/06/57/82/1081065782.db2.gz VPQQZVNZZWSMGL-OLZOCXBDSA-N 1 0 407.496 0.760 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)CC2 ZINC000466301111 1081065879 /nfs/dbraw/zinc/06/58/79/1081065879.db2.gz VPQQZVNZZWSMGL-QWHCGFSZSA-N 1 0 407.496 0.760 20 0 HCADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)CC2 ZINC000466301112 1081065839 /nfs/dbraw/zinc/06/58/39/1081065839.db2.gz VPQQZVNZZWSMGL-STQMWFEESA-N 1 0 407.496 0.760 20 0 HCADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466302057 1081070943 /nfs/dbraw/zinc/07/09/43/1081070943.db2.gz AQNNMXUKDJPYQK-KRWDZBQOSA-N 1 0 419.526 0.254 20 0 HCADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466302058 1081071057 /nfs/dbraw/zinc/07/10/57/1081071057.db2.gz AQNNMXUKDJPYQK-QGZVFWFLSA-N 1 0 419.526 0.254 20 0 HCADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)N1CCN(C(=O)c3ccco3)CC1)CC2 ZINC000466302464 1081069777 /nfs/dbraw/zinc/06/97/77/1081069777.db2.gz GVWKFXNVLUFEES-CABCVRRESA-N 1 0 416.482 0.295 20 0 HCADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(C(=O)c3ccco3)CC1)CC2 ZINC000466302465 1081070205 /nfs/dbraw/zinc/07/02/05/1081070205.db2.gz GVWKFXNVLUFEES-GJZGRUSLSA-N 1 0 416.482 0.295 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)N1CCN(C(=O)c3ccco3)CC1)CC2 ZINC000466302466 1081070240 /nfs/dbraw/zinc/07/02/40/1081070240.db2.gz GVWKFXNVLUFEES-HUUCEWRRSA-N 1 0 416.482 0.295 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)N1CCN(C(=O)c3ccco3)CC1)CC2 ZINC000466302467 1081070332 /nfs/dbraw/zinc/07/03/32/1081070332.db2.gz GVWKFXNVLUFEES-LSDHHAIUSA-N 1 0 416.482 0.295 20 0 HCADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1)CC2 ZINC000466302792 1081070997 /nfs/dbraw/zinc/07/09/97/1081070997.db2.gz KYPQNNVJNGRKMD-BBRMVZONSA-N 1 0 401.467 0.820 20 0 HCADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1)CC2 ZINC000466302793 1081070958 /nfs/dbraw/zinc/07/09/58/1081070958.db2.gz KYPQNNVJNGRKMD-CJNGLKHVSA-N 1 0 401.467 0.820 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1)CC2 ZINC000466302794 1081070906 /nfs/dbraw/zinc/07/09/06/1081070906.db2.gz KYPQNNVJNGRKMD-CZUORRHYSA-N 1 0 401.467 0.820 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1)CC2 ZINC000466302795 1081071029 /nfs/dbraw/zinc/07/10/29/1081071029.db2.gz KYPQNNVJNGRKMD-XJKSGUPXSA-N 1 0 401.467 0.820 20 0 HCADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000466322751 1081081070 /nfs/dbraw/zinc/08/10/70/1081081070.db2.gz QVWYSZWKJTXCDN-INIZCTEOSA-N 1 0 406.936 0.620 20 0 HCADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000466322752 1081081118 /nfs/dbraw/zinc/08/11/18/1081081118.db2.gz QVWYSZWKJTXCDN-MRXNPFEDSA-N 1 0 406.936 0.620 20 0 HCADRO C[NH+]1CCC(O)(CNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000466325177 1081078254 /nfs/dbraw/zinc/07/82/54/1081078254.db2.gz KFWLBWFGMDXCBF-UHFFFAOYSA-N 1 0 418.947 0.764 20 0 HCADRO CCOCCS(=O)(=O)NCC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000466328488 1081080242 /nfs/dbraw/zinc/08/02/42/1081080242.db2.gz SUUHLOMHBKDYCZ-UHFFFAOYSA-N 1 0 412.556 0.503 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000466328931 1081084634 /nfs/dbraw/zinc/08/46/34/1081084634.db2.gz WZCRFHIIPADUKB-INIZCTEOSA-N 1 0 404.920 0.374 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000466328932 1081084690 /nfs/dbraw/zinc/08/46/90/1081084690.db2.gz WZCRFHIIPADUKB-MRXNPFEDSA-N 1 0 404.920 0.374 20 0 HCADRO CCOCCS(=O)(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000466331876 1081083437 /nfs/dbraw/zinc/08/34/37/1081083437.db2.gz WTMACUYZIGUBQM-UHFFFAOYSA-N 1 0 413.540 0.685 20 0 HCADRO CCOCCS(=O)(=O)NCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000466341671 1081088702 /nfs/dbraw/zinc/08/87/02/1081088702.db2.gz NXIHNDWICCOTTP-UHFFFAOYSA-N 1 0 401.504 0.862 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3CCCN3c3cc(NC)ncn3)C2)CC1 ZINC000466342512 1081092151 /nfs/dbraw/zinc/09/21/51/1081092151.db2.gz DYNQFWNBLCZHLP-MSOLQXFVSA-N 1 0 416.574 0.909 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3CCCN3c3cc(NC)ncn3)C2)CC1 ZINC000466342513 1081092312 /nfs/dbraw/zinc/09/23/12/1081092312.db2.gz DYNQFWNBLCZHLP-QZTJIDSGSA-N 1 0 416.574 0.909 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3CCCN3c3cc(NC)ncn3)C2)CC1 ZINC000466342614 1081091601 /nfs/dbraw/zinc/09/16/01/1081091601.db2.gz DYNQFWNBLCZHLP-ROUUACIJSA-N 1 0 416.574 0.909 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3CCCN3c3cc(NC)ncn3)C2)CC1 ZINC000466342615 1081091735 /nfs/dbraw/zinc/09/17/35/1081091735.db2.gz DYNQFWNBLCZHLP-ZWKOTPCHSA-N 1 0 416.574 0.909 20 0 HCADRO CCOCCS(=O)(=O)NCC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000466342937 1081092250 /nfs/dbraw/zinc/09/22/50/1081092250.db2.gz XHFYMUGQEAYYSQ-HOTGVXAUSA-N 1 0 405.561 0.290 20 0 HCADRO CCOCCS(=O)(=O)NCC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000466342938 1081092819 /nfs/dbraw/zinc/09/28/19/1081092819.db2.gz XHFYMUGQEAYYSQ-HZPDHXFCSA-N 1 0 405.561 0.290 20 0 HCADRO CCOCCS(=O)(=O)NCC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000466342939 1081092576 /nfs/dbraw/zinc/09/25/76/1081092576.db2.gz XHFYMUGQEAYYSQ-IYBDPMFKSA-N 1 0 405.561 0.290 20 0 HCADRO CCOCCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000466346658 1081096291 /nfs/dbraw/zinc/09/62/91/1081096291.db2.gz LSBZNJPVPIOMGM-KRWDZBQOSA-N 1 0 412.556 0.269 20 0 HCADRO CCOCCS(=O)(=O)NCC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000466346659 1081096178 /nfs/dbraw/zinc/09/61/78/1081096178.db2.gz LSBZNJPVPIOMGM-QGZVFWFLSA-N 1 0 412.556 0.269 20 0 HCADRO CCOCCS(=O)(=O)NCC(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000466349320 1081098514 /nfs/dbraw/zinc/09/85/14/1081098514.db2.gz FTYNADPNHZFKJZ-UHFFFAOYSA-N 1 0 412.556 0.719 20 0 HCADRO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ncn1 ZINC000466353025 1081101239 /nfs/dbraw/zinc/10/12/39/1081101239.db2.gz PWUINJXCMUMGGX-CABCVRRESA-N 1 0 404.519 0.126 20 0 HCADRO CNc1cc(N2CCC[C@H]2CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ncn1 ZINC000466353026 1081101116 /nfs/dbraw/zinc/10/11/16/1081101116.db2.gz PWUINJXCMUMGGX-GJZGRUSLSA-N 1 0 404.519 0.126 20 0 HCADRO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ncn1 ZINC000466353027 1081101390 /nfs/dbraw/zinc/10/13/90/1081101390.db2.gz PWUINJXCMUMGGX-HUUCEWRRSA-N 1 0 404.519 0.126 20 0 HCADRO CNc1cc(N2CCC[C@H]2CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ncn1 ZINC000466353028 1081101325 /nfs/dbraw/zinc/10/13/25/1081101325.db2.gz PWUINJXCMUMGGX-LSDHHAIUSA-N 1 0 404.519 0.126 20 0 HCADRO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ncn1 ZINC000466353769 1081100468 /nfs/dbraw/zinc/10/04/68/1081100468.db2.gz OVRHCQLXTXONHB-DLBZAZTESA-N 1 0 405.547 0.879 20 0 HCADRO CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ncn1 ZINC000466353770 1081100432 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C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000466507427 1081235549 /nfs/dbraw/zinc/23/55/49/1081235549.db2.gz LBAXTZCTAZWZKJ-KBXCAEBGSA-N 1 0 414.572 0.742 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000466507428 1081235623 /nfs/dbraw/zinc/23/56/23/1081235623.db2.gz LBAXTZCTAZWZKJ-KDOFPFPSSA-N 1 0 414.572 0.742 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000466507429 1081235471 /nfs/dbraw/zinc/23/54/71/1081235471.db2.gz LBAXTZCTAZWZKJ-KSSFIOAISA-N 1 0 414.572 0.742 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000466507430 1081235448 /nfs/dbraw/zinc/23/54/48/1081235448.db2.gz LBAXTZCTAZWZKJ-RDTXWAMCSA-N 1 0 414.572 0.742 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466517056 1081238848 /nfs/dbraw/zinc/23/88/48/1081238848.db2.gz UKFJQQBKBJDNSB-AEFFLSMTSA-N 1 0 412.498 0.190 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466517057 1081238588 /nfs/dbraw/zinc/23/85/88/1081238588.db2.gz UKFJQQBKBJDNSB-FUHWJXTLSA-N 1 0 412.498 0.190 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466517058 1081238770 /nfs/dbraw/zinc/23/87/70/1081238770.db2.gz UKFJQQBKBJDNSB-SJLPKXTDSA-N 1 0 412.498 0.190 20 0 HCADRO C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466517059 1081238394 /nfs/dbraw/zinc/23/83/94/1081238394.db2.gz UKFJQQBKBJDNSB-WMZOPIPTSA-N 1 0 412.498 0.190 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000466517102 1081238345 /nfs/dbraw/zinc/23/83/45/1081238345.db2.gz USQGRFGURUUKKA-AZUAARDMSA-N 1 0 417.554 0.739 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000466517103 1081238807 /nfs/dbraw/zinc/23/88/07/1081238807.db2.gz USQGRFGURUUKKA-ICSRJNTNSA-N 1 0 417.554 0.739 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000466517104 1081238670 /nfs/dbraw/zinc/23/86/70/1081238670.db2.gz USQGRFGURUUKKA-QUCCMNQESA-N 1 0 417.554 0.739 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000466517105 1081238480 /nfs/dbraw/zinc/23/84/80/1081238480.db2.gz USQGRFGURUUKKA-UYAOXDASSA-N 1 0 417.554 0.739 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466520875 1081240845 /nfs/dbraw/zinc/24/08/45/1081240845.db2.gz FJCVTIKJYCFHII-APWZRJJASA-N 1 0 413.522 0.782 20 0 HCADRO C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466520876 1081241262 /nfs/dbraw/zinc/24/12/62/1081241262.db2.gz FJCVTIKJYCFHII-LPHOPBHVSA-N 1 0 413.522 0.782 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466520877 1081241507 /nfs/dbraw/zinc/24/15/07/1081241507.db2.gz FJCVTIKJYCFHII-QFBILLFUSA-N 1 0 413.522 0.782 20 0 HCADRO 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1081253937 /nfs/dbraw/zinc/25/39/37/1081253937.db2.gz UPTBUCNNQXSZJO-MRXNPFEDSA-N 1 0 414.572 0.327 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(OC)c(OC)cc1OC ZINC000466534884 1081257351 /nfs/dbraw/zinc/25/73/51/1081257351.db2.gz ULDUBIAGFPFZTR-UHFFFAOYSA-N 1 0 409.483 0.575 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(OC)c(OC)c1OC ZINC000466537405 1081259494 /nfs/dbraw/zinc/25/94/94/1081259494.db2.gz YMRJXAMVHVATOJ-UHFFFAOYSA-N 1 0 409.483 0.575 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1nnc(-c2ccccc2)n1C ZINC000466537808 1081259164 /nfs/dbraw/zinc/25/91/64/1081259164.db2.gz BVWUJFBMHRCVLD-UHFFFAOYSA-N 1 0 414.510 0.274 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(Br)cn1C ZINC000466537931 1081258637 /nfs/dbraw/zinc/25/86/37/1081258637.db2.gz DEBKLNMYMSSMKW-UHFFFAOYSA-N 1 0 401.305 0.650 20 0 HCADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000466538365 1081271671 /nfs/dbraw/zinc/27/16/71/1081271671.db2.gz BRFBIIJFVSRJFC-HNNXBMFYSA-N 1 0 401.467 0.824 20 0 HCADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000466538366 1081271762 /nfs/dbraw/zinc/27/17/62/1081271762.db2.gz BRFBIIJFVSRJFC-OAHLLOKOSA-N 1 0 401.467 0.824 20 0 HCADRO O=C1CC2(CN1)CC[NH+](CCOc1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2 ZINC000466923806 1077283245 /nfs/dbraw/zinc/28/32/45/1077283245.db2.gz FTGBZMAXGDIMEM-UHFFFAOYSA-N 1 0 423.535 0.688 20 0 HCADRO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000466948256 1077290536 /nfs/dbraw/zinc/29/05/36/1077290536.db2.gz FRJYFOIEQFJIDK-NRFANRHFSA-N 1 0 414.550 0.826 20 0 HCADRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000466948257 1077290612 /nfs/dbraw/zinc/29/06/12/1077290612.db2.gz FRJYFOIEQFJIDK-OAQYLSRUSA-N 1 0 414.550 0.826 20 0 HCADRO C[C@@H]1CN(C[C@H](O)CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)C[C@@H](C)O1 ZINC000467009328 1077300360 /nfs/dbraw/zinc/30/03/60/1077300360.db2.gz NLZFFFXHXSXZLN-JXOCDABTSA-N 1 0 416.522 0.653 20 0 HCADRO C[C@@H]1CN(C[C@H](O)CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)C[C@@H](C)O1 ZINC000467009329 1077300459 /nfs/dbraw/zinc/30/04/59/1077300459.db2.gz NLZFFFXHXSXZLN-KZFRKFNSSA-N 1 0 416.522 0.653 20 0 HCADRO C[C@@H]1CN(C[C@H](O)CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)C[C@H](C)O1 ZINC000467009330 1077300508 /nfs/dbraw/zinc/30/05/08/1077300508.db2.gz NLZFFFXHXSXZLN-WCIYBSDLSA-N 1 0 416.522 0.653 20 0 HCADRO C[C@@H]1CN(C[C@H](O)CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)C[C@H](C)O1 ZINC000467009331 1077300303 /nfs/dbraw/zinc/30/03/03/1077300303.db2.gz NLZFFFXHXSXZLN-YZIUBNRHSA-N 1 0 416.522 0.653 20 0 HCADRO O=C(C[NH+]1CCC2(CNC(=O)C2)CC1)NCc1ccccc1CN1CCOCC1 ZINC000467203361 1077315878 /nfs/dbraw/zinc/31/58/78/1077315878.db2.gz WTOBBUMWANTBOH-UHFFFAOYSA-N 1 0 400.523 0.737 20 0 HCADRO O=C(C[NH+]1CCC2(CNC(=O)C2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000467205040 1077316694 /nfs/dbraw/zinc/31/66/94/1077316694.db2.gz GFBQGTDBCWQQSQ-UHFFFAOYSA-N 1 0 420.535 0.122 20 0 HCADRO COc1ccc(CN2CCN(C(=O)C[NH+]3CCC4(CNC(=O)C4)CC3)CC2)cc1 ZINC000467205309 1077317015 /nfs/dbraw/zinc/31/70/15/1077317015.db2.gz HFNAGQWRBNZBJG-UHFFFAOYSA-N 1 0 400.523 0.942 20 0 HCADRO CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)c(=O)[nH]c1=O ZINC000467206857 1077317799 /nfs/dbraw/zinc/31/77/99/1077317799.db2.gz MLUOIQZVTJAJNF-UHFFFAOYSA-N 1 0 420.514 0.286 20 0 HCADRO O=C(C[NH+]1CCC2(CNC(=O)C2)CC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000467208969 1077318587 /nfs/dbraw/zinc/31/85/87/1077318587.db2.gz YFKCFNLXEHEGIY-UHFFFAOYSA-N 1 0 412.534 0.868 20 0 HCADRO COCC[C@@H]1CCCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000467269480 1077325472 /nfs/dbraw/zinc/32/54/72/1077325472.db2.gz SRCAXSOCSDSOQO-IBGZPJMESA-N 1 0 410.559 0.128 20 0 HCADRO COCC[C@H]1CCCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000467269482 1077325043 /nfs/dbraw/zinc/32/50/43/1077325043.db2.gz SRCAXSOCSDSOQO-LJQANCHMSA-N 1 0 410.559 0.128 20 0 HCADRO CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000467581061 1075595508 /nfs/dbraw/zinc/59/55/08/1075595508.db2.gz WTHAREFNVFHLTD-UHFFFAOYSA-N 1 0 405.499 0.712 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[S@@](=O)[C@H](C)C2)cc1NC(=O)CC[NH+](C)C ZINC000467585989 1075703842 /nfs/dbraw/zinc/70/38/42/1075703842.db2.gz CHMPDSAVVMAHHE-GMYLUUGSSA-N 1 0 408.524 0.803 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[S@@](=O)[C@@H](C)C2)cc1NC(=O)CC[NH+](C)C ZINC000467585990 1075704310 /nfs/dbraw/zinc/70/43/10/1075704310.db2.gz CHMPDSAVVMAHHE-HJFSHJIFSA-N 1 0 408.524 0.803 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)C2)cc1NC(=O)CC[NH+](C)C ZINC000467585991 1075704231 /nfs/dbraw/zinc/70/42/31/1075704231.db2.gz CHMPDSAVVMAHHE-POXGOYDTSA-N 1 0 408.524 0.803 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)C2)cc1NC(=O)CC[NH+](C)C ZINC000467585992 1075705478 /nfs/dbraw/zinc/70/54/78/1075705478.db2.gz CHMPDSAVVMAHHE-SUMNFNSASA-N 1 0 408.524 0.803 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 ZINC000467629238 1077693145 /nfs/dbraw/zinc/69/31/45/1077693145.db2.gz MDXOXXDQMVQQHS-UHFFFAOYSA-N 1 0 401.471 0.515 20 0 HCADRO Cc1oc(-c2cnn(C)c2)nc1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000467629866 1077650436 /nfs/dbraw/zinc/65/04/36/1077650436.db2.gz NBDXYYHUSUVUEL-OAHLLOKOSA-N 1 0 409.512 0.965 20 0 HCADRO C[NH+](C)CCCN(C(=O)CCOc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000467631183 1077769606 /nfs/dbraw/zinc/76/96/06/1077769606.db2.gz VEGWEJXDAVLQBZ-INIZCTEOSA-N 1 0 411.524 0.522 20 0 HCADRO C[NH+](C)CCCN(C(=O)CCOc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000467631184 1077771294 /nfs/dbraw/zinc/77/12/94/1077771294.db2.gz VEGWEJXDAVLQBZ-MRXNPFEDSA-N 1 0 411.524 0.522 20 0 HCADRO C[NH+](C)CCCN(C(=O)CN1c2ccccc2CCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000467633299 1077961472 /nfs/dbraw/zinc/96/14/72/1077961472.db2.gz BEEVWPCDNBBNNF-KRWDZBQOSA-N 1 0 407.536 0.933 20 0 HCADRO C[NH+](C)CCCN(C(=O)CN1c2ccccc2CCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000467633300 1077961519 /nfs/dbraw/zinc/96/15/19/1077961519.db2.gz BEEVWPCDNBBNNF-QGZVFWFLSA-N 1 0 407.536 0.933 20 0 HCADRO CNS(=O)(=O)c1csc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000467633302 1077961584 /nfs/dbraw/zinc/96/15/84/1077961584.db2.gz BESGLYUSBKDBPN-GFCCVEGCSA-N 1 0 423.582 0.237 20 0 HCADRO CNS(=O)(=O)c1csc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000467633303 1077961423 /nfs/dbraw/zinc/96/14/23/1077961423.db2.gz BESGLYUSBKDBPN-LBPRGKRZSA-N 1 0 423.582 0.237 20 0 HCADRO C[NH+](C)CCCN(C(=O)CNC(=O)COc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000467635361 1078092061 /nfs/dbraw/zinc/09/20/61/1078092061.db2.gz FEKVZNVNPXARNZ-INIZCTEOSA-N 1 0 411.524 0.149 20 0 HCADRO C[NH+](C)CCCN(C(=O)CNC(=O)COc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000467635362 1078092523 /nfs/dbraw/zinc/09/25/23/1078092523.db2.gz FEKVZNVNPXARNZ-MRXNPFEDSA-N 1 0 411.524 0.149 20 0 HCADRO CCC(CC)N1C[C@@H](C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000467635615 1078080152 /nfs/dbraw/zinc/08/01/52/1078080152.db2.gz FWDVWWCVZFQACA-DOTOQJQBSA-N 1 0 401.573 0.991 20 0 HCADRO CCC(CC)N1C[C@H](C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000467635616 1078080113 /nfs/dbraw/zinc/08/01/13/1078080113.db2.gz FWDVWWCVZFQACA-NVXWUHKLSA-N 1 0 401.573 0.991 20 0 HCADRO CCC(CC)N1C[C@@H](C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000467635617 1078080258 /nfs/dbraw/zinc/08/02/58/1078080258.db2.gz FWDVWWCVZFQACA-RDJZCZTQSA-N 1 0 401.573 0.991 20 0 HCADRO CCC(CC)N1C[C@H](C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000467635618 1078080425 /nfs/dbraw/zinc/08/04/25/1078080425.db2.gz FWDVWWCVZFQACA-WBVHZDCISA-N 1 0 401.573 0.991 20 0 HCADRO CN(C)CCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000467636540 1078130389 /nfs/dbraw/zinc/13/03/89/1078130389.db2.gz QZHOFFHNIRHFOW-KRWDZBQOSA-N 1 0 409.556 0.024 20 0 HCADRO CN(C)CCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000467636541 1078130145 /nfs/dbraw/zinc/13/01/45/1078130145.db2.gz QZHOFFHNIRHFOW-QGZVFWFLSA-N 1 0 409.556 0.024 20 0 HCADRO CNS(=O)(=O)c1cccc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000467641304 1078756519 /nfs/dbraw/zinc/75/65/19/1078756519.db2.gz RYXDPNAEBNRMDT-HNNXBMFYSA-N 1 0 417.553 0.176 20 0 HCADRO CNS(=O)(=O)c1cccc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000467641305 1078767580 /nfs/dbraw/zinc/76/75/80/1078767580.db2.gz RYXDPNAEBNRMDT-OAHLLOKOSA-N 1 0 417.553 0.176 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000467649040 1080245491 /nfs/dbraw/zinc/24/54/91/1080245491.db2.gz ZJBHFMVKAFEGOP-INIZCTEOSA-N 1 0 404.511 0.871 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000467649041 1080245796 /nfs/dbraw/zinc/24/57/96/1080245796.db2.gz ZJBHFMVKAFEGOP-MRXNPFEDSA-N 1 0 404.511 0.871 20 0 HCADRO C[NH+](C)CCCN(C(=O)c1cn(CC(=O)C(C)(C)C)nn1)[C@H]1CCS(=O)(=O)C1 ZINC000467652342 1080456270 /nfs/dbraw/zinc/45/62/70/1080456270.db2.gz ACDVAHUDVNNYEU-AWEZNQCLSA-N 1 0 413.544 0.474 20 0 HCADRO C[NH+](C)CCCN(C(=O)c1cn(CC(=O)C(C)(C)C)nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000467652343 1080456020 /nfs/dbraw/zinc/45/60/20/1080456020.db2.gz ACDVAHUDVNNYEU-CQSZACIVSA-N 1 0 413.544 0.474 20 0 HCADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cn1C ZINC000470486711 1079250401 /nfs/dbraw/zinc/25/04/01/1079250401.db2.gz MKHYPZCISWHXTE-CQSZACIVSA-N 1 0 413.544 0.109 20 0 HCADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)C[C@@H](C)O1 ZINC000470862186 1078098603 /nfs/dbraw/zinc/09/86/03/1078098603.db2.gz FTQDVEIWFITADN-GFEQUFNTSA-N 1 0 424.565 0.861 20 0 HCADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)C[C@H](C)O1 ZINC000470862187 1078098480 /nfs/dbraw/zinc/09/84/80/1078098480.db2.gz FTQDVEIWFITADN-PJVZLEMVSA-N 1 0 424.565 0.861 20 0 HCADRO C[C@@H]1CN(C[C@H](O)C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)C[C@H](C)O1 ZINC000470862188 1078098541 /nfs/dbraw/zinc/09/85/41/1078098541.db2.gz FTQDVEIWFITADN-XCDZQEORSA-N 1 0 424.565 0.861 20 0 HCADRO C[C@@H]1CN(C[C@H](O)C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)C[C@@H](C)O1 ZINC000470862189 1078098426 /nfs/dbraw/zinc/09/84/26/1078098426.db2.gz FTQDVEIWFITADN-ZSXDVEMLSA-N 1 0 424.565 0.861 20 0 HCADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1OC ZINC000471223404 1079259025 /nfs/dbraw/zinc/25/90/25/1079259025.db2.gz GEXIQTZUDOXCNH-UHFFFAOYSA-N 1 0 400.501 0.805 20 0 HCADRO CC(C)Cc1ncc(NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cn1 ZINC000472629235 1079825263 /nfs/dbraw/zinc/82/52/63/1079825263.db2.gz UFBCOAIHWRGAGP-UHFFFAOYSA-N 1 0 404.515 0.673 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1OC ZINC000472971664 1079927526 /nfs/dbraw/zinc/92/75/26/1079927526.db2.gz PEBVMAYKIHERIK-GFCCVEGCSA-N 1 0 400.501 0.852 20 0 HCADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC4(CNC(=O)C4)CC3)c2)CC1 ZINC000473380276 1080055883 /nfs/dbraw/zinc/05/58/83/1080055883.db2.gz RZZDZUWJXYLUCT-UHFFFAOYSA-N 1 0 413.522 0.896 20 0 HCADRO CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(C)c1 ZINC000473480482 1080059914 /nfs/dbraw/zinc/05/99/14/1080059914.db2.gz FULNXBZZTFXTMD-INIZCTEOSA-N 1 0 403.527 0.825 20 0 HCADRO CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(C)c1 ZINC000473480483 1080059713 /nfs/dbraw/zinc/05/97/13/1080059713.db2.gz FULNXBZZTFXTMD-MRXNPFEDSA-N 1 0 403.527 0.825 20 0 HCADRO CC[NH+]1CCN(c2cccc(NC(=O)N(CCO)CCN3CCOCC3)c2)CC1 ZINC000473842317 1080087178 /nfs/dbraw/zinc/08/71/78/1080087178.db2.gz WNNQGNXIKNKMEB-UHFFFAOYSA-N 1 0 405.543 0.987 20 0 HCADRO CCN1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H]1c1ncc[nH]1 ZINC000474460822 1080261438 /nfs/dbraw/zinc/26/14/38/1080261438.db2.gz UCGASQFEPDNTQL-KRWDZBQOSA-N 1 0 405.547 0.741 20 0 HCADRO CCN1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000474460823 1080261515 /nfs/dbraw/zinc/26/15/15/1080261515.db2.gz UCGASQFEPDNTQL-QGZVFWFLSA-N 1 0 405.547 0.741 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000475149226 1080348534 /nfs/dbraw/zinc/34/85/34/1080348534.db2.gz GSLAEIZTPWKTGM-ARFHVFGLSA-N 1 0 422.530 0.304 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000475149233 1080348649 /nfs/dbraw/zinc/34/86/49/1080348649.db2.gz GSLAEIZTPWKTGM-HRCADAONSA-N 1 0 422.530 0.304 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000475149235 1080348552 /nfs/dbraw/zinc/34/85/52/1080348552.db2.gz GSLAEIZTPWKTGM-JYJNAYRXSA-N 1 0 422.530 0.304 20 0 HCADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000475149239 1080348642 /nfs/dbraw/zinc/34/86/42/1080348642.db2.gz GSLAEIZTPWKTGM-OAGGEKHMSA-N 1 0 422.530 0.304 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000475758995 1080398682 /nfs/dbraw/zinc/39/86/82/1080398682.db2.gz XAZGZNRSEICSNH-UHFFFAOYSA-N 1 0 424.567 0.538 20 0 HCADRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000475759428 1080398787 /nfs/dbraw/zinc/39/87/87/1080398787.db2.gz QJHOCGSTAFSIHA-UHFFFAOYSA-N 1 0 401.515 0.895 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000477058614 1080567291 /nfs/dbraw/zinc/56/72/91/1080567291.db2.gz ARQZLOIRGPZYQH-AWEZNQCLSA-N 1 0 402.503 0.644 20 0 HCADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000477058620 1080567450 /nfs/dbraw/zinc/56/74/50/1080567450.db2.gz ARQZLOIRGPZYQH-CQSZACIVSA-N 1 0 402.503 0.644 20 0 HCADRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C12CCC2 ZINC000477868754 1080635998 /nfs/dbraw/zinc/63/59/98/1080635998.db2.gz PZICSXAGEGZCOL-MOPGFXCFSA-N 1 0 422.570 0.269 20 0 HCADRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C12CCC2 ZINC000477868755 1080636346 /nfs/dbraw/zinc/63/63/46/1080636346.db2.gz PZICSXAGEGZCOL-OALUTQOASA-N 1 0 422.570 0.269 20 0 HCADRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C12CCC2 ZINC000477868756 1080636452 /nfs/dbraw/zinc/63/64/52/1080636452.db2.gz PZICSXAGEGZCOL-RBUKOAKNSA-N 1 0 422.570 0.269 20 0 HCADRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C12CCC2 ZINC000477868757 1080636188 /nfs/dbraw/zinc/63/61/88/1080636188.db2.gz PZICSXAGEGZCOL-RTBURBONSA-N 1 0 422.570 0.269 20 0 HCADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(=O)n(Cc3nc(C)no3)c2)CC1 ZINC000478472576 1080884689 /nfs/dbraw/zinc/88/46/89/1080884689.db2.gz IVDRPSAHBDDRHH-UHFFFAOYSA-N 1 0 410.434 0.954 20 0 HCADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000480403755 1081162262 /nfs/dbraw/zinc/16/22/62/1081162262.db2.gz NMYUFHDZKYNJTM-AWEZNQCLSA-N 1 0 416.400 0.827 20 0 HCADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000480403757 1081162402 /nfs/dbraw/zinc/16/24/02/1081162402.db2.gz NMYUFHDZKYNJTM-CQSZACIVSA-N 1 0 416.400 0.827 20 0 HCADRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000481722042 1081282690 /nfs/dbraw/zinc/28/26/90/1081282690.db2.gz IPBQKAURJBMFBD-MOPGFXCFSA-N 1 0 410.559 0.173 20 0 HCADRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000481722043 1081282589 /nfs/dbraw/zinc/28/25/89/1081282589.db2.gz IPBQKAURJBMFBD-OALUTQOASA-N 1 0 410.559 0.173 20 0 HCADRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000481722044 1081282563 /nfs/dbraw/zinc/28/25/63/1081282563.db2.gz IPBQKAURJBMFBD-RBUKOAKNSA-N 1 0 410.559 0.173 20 0 HCADRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000481722045 1081282719 /nfs/dbraw/zinc/28/27/19/1081282719.db2.gz IPBQKAURJBMFBD-RTBURBONSA-N 1 0 410.559 0.173 20 0 HCADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000489792806 1073538460 /nfs/dbraw/zinc/53/84/60/1073538460.db2.gz PSUZMCXGCXMMCQ-BRWVUGGUSA-N 1 0 416.530 0.437 20 0 HCADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000489792807 1073538320 /nfs/dbraw/zinc/53/83/20/1073538320.db2.gz PSUZMCXGCXMMCQ-IXDOHACOSA-N 1 0 416.530 0.437 20 0 HCADRO CS(=O)(=O)N1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000489793982 1073538593 /nfs/dbraw/zinc/53/85/93/1073538593.db2.gz VGGAFUSGLRVNGH-UHFFFAOYSA-N 1 0 424.567 0.820 20 0 HCADRO Cn1cnn(CC(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1=O ZINC000489794806 1073538543 /nfs/dbraw/zinc/53/85/43/1073538543.db2.gz HRMJNWPKFMWYOQ-UHFFFAOYSA-N 1 0 412.416 0.669 20 0 HCADRO CC(=O)NC[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCO1 ZINC000489796897 1073539031 /nfs/dbraw/zinc/53/90/31/1073539031.db2.gz LNPBLDVNYSERKB-FQEVSTJZSA-N 1 0 404.511 0.690 20 0 HCADRO CC(=O)NC[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCO1 ZINC000489796898 1073539220 /nfs/dbraw/zinc/53/92/20/1073539220.db2.gz LNPBLDVNYSERKB-HXUWFJFHSA-N 1 0 404.511 0.690 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N(C)Cc1nncn1C ZINC000489799992 1073538946 /nfs/dbraw/zinc/53/89/46/1073538946.db2.gz WQSBEBUXLCJAKR-UHFFFAOYSA-N 1 0 408.528 0.626 20 0 HCADRO CC(C)(C)[NH+]1CCC(NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000489804822 1073540534 /nfs/dbraw/zinc/54/05/34/1073540534.db2.gz JKPKBECOAQXZAX-UHFFFAOYSA-N 1 0 410.496 0.621 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000489805092 1073540340 /nfs/dbraw/zinc/54/03/40/1073540340.db2.gz JPQRGIMEFCUQGZ-GOSISDBHSA-N 1 0 424.567 0.867 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000489805093 1073540620 /nfs/dbraw/zinc/54/06/20/1073540620.db2.gz JPQRGIMEFCUQGZ-SFHVURJKSA-N 1 0 424.567 0.867 20 0 HCADRO CCS(=O)(=O)NCCCNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000489807106 1073540925 /nfs/dbraw/zinc/54/09/25/1073540925.db2.gz JMIOMSZQXCOULE-UHFFFAOYSA-N 1 0 412.556 0.772 20 0 HCADRO CCNC(=O)CN1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000489808038 1073540959 /nfs/dbraw/zinc/54/09/59/1073540959.db2.gz NAUYFQODJLQKKL-UHFFFAOYSA-N 1 0 417.554 0.607 20 0 HCADRO C[C@@](O)(CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)CN1CCOCC1 ZINC000489813338 1073541776 /nfs/dbraw/zinc/54/17/76/1073541776.db2.gz SGSCGUYOVMCSLH-JOCHJYFZSA-N 1 0 420.554 0.526 20 0 HCADRO C[C@](O)(CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)CN1CCOCC1 ZINC000489813340 1073541684 /nfs/dbraw/zinc/54/16/84/1073541684.db2.gz SGSCGUYOVMCSLH-QFIPXVFZSA-N 1 0 420.554 0.526 20 0 HCADRO CN1CCN(C(=O)CCNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000489814181 1073542565 /nfs/dbraw/zinc/54/25/65/1073542565.db2.gz ULAVSQPSQJVLCV-UHFFFAOYSA-N 1 0 417.554 0.607 20 0 HCADRO CSCC[C@H]([NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)N(C)C ZINC000489825582 1073544575 /nfs/dbraw/zinc/54/45/75/1073544575.db2.gz MYJXZWAMUBFXKK-HNNXBMFYSA-N 1 0 417.601 0.979 20 0 HCADRO COc1ccc2c(c1)nc(CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)n2C ZINC000489829199 1073544371 /nfs/dbraw/zinc/54/43/71/1073544371.db2.gz RFJBXHJVQHMREO-HNNXBMFYSA-N 1 0 417.510 0.815 20 0 HCADRO COc1ccc2c(c1)nc(CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)n2C ZINC000489829200 1073544411 /nfs/dbraw/zinc/54/44/11/1073544411.db2.gz RFJBXHJVQHMREO-OAHLLOKOSA-N 1 0 417.510 0.815 20 0 HCADRO CNC(=O)[C@H](CCSC)[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000489830413 1073545292 /nfs/dbraw/zinc/54/52/92/1073545292.db2.gz XLEWCPGDVJDOLG-AWEZNQCLSA-N 1 0 403.574 0.637 20 0 HCADRO COc1ccc2c(c1)nc(CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)n2C ZINC000489830905 1073545170 /nfs/dbraw/zinc/54/51/70/1073545170.db2.gz ZEWASZXDIQGENU-INIZCTEOSA-N 1 0 417.510 0.767 20 0 HCADRO COc1ccc2c(c1)nc(CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)n2C ZINC000489830906 1073545303 /nfs/dbraw/zinc/54/53/03/1073545303.db2.gz ZEWASZXDIQGENU-MRXNPFEDSA-N 1 0 417.510 0.767 20 0 HCADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000491211264 1074227152 /nfs/dbraw/zinc/22/71/52/1074227152.db2.gz CNQUOWNNCNSUJR-UHFFFAOYSA-N 1 0 414.514 0.441 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000491211539 1074204154 /nfs/dbraw/zinc/20/41/54/1074204154.db2.gz DOWXLOAENYUQAD-UHFFFAOYSA-N 1 0 405.499 0.022 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CO)C2)c1 ZINC000491211573 1074206093 /nfs/dbraw/zinc/20/60/93/1074206093.db2.gz DQPUARPNUOXWDN-INIZCTEOSA-N 1 0 404.511 0.928 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CO)C2)c1 ZINC000491211574 1074206026 /nfs/dbraw/zinc/20/60/26/1074206026.db2.gz DQPUARPNUOXWDN-MRXNPFEDSA-N 1 0 404.511 0.928 20 0 HCADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000491213244 1074392785 /nfs/dbraw/zinc/39/27/85/1074392785.db2.gz LYSZHRPHDODFJC-UHFFFAOYSA-N 1 0 419.526 0.478 20 0 HCADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000491214457 1074415509 /nfs/dbraw/zinc/41/55/09/1074415509.db2.gz XRTQFSKRZSXVBX-HNNXBMFYSA-N 1 0 413.482 0.479 20 0 HCADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000491214458 1074414933 /nfs/dbraw/zinc/41/49/33/1074414933.db2.gz XRTQFSKRZSXVBX-OAHLLOKOSA-N 1 0 413.482 0.479 20 0 HCADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000491214530 1074415437 /nfs/dbraw/zinc/41/54/37/1074415437.db2.gz YKRVZOBYPPAMKQ-HNNXBMFYSA-N 1 0 424.523 0.022 20 0 HCADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000491214531 1074415987 /nfs/dbraw/zinc/41/59/87/1074415987.db2.gz YKRVZOBYPPAMKQ-OAHLLOKOSA-N 1 0 424.523 0.022 20 0 HCADRO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000491215768 1074435919 /nfs/dbraw/zinc/43/59/19/1074435919.db2.gz FABLZWSRDQHROT-KRWDZBQOSA-N 1 0 418.494 0.861 20 0 HCADRO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000491215769 1074436101 /nfs/dbraw/zinc/43/61/01/1074436101.db2.gz FABLZWSRDQHROT-QGZVFWFLSA-N 1 0 418.494 0.861 20 0 HCADRO NC(=O)Cn1cc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cn1 ZINC000491218362 1074506550 /nfs/dbraw/zinc/50/65/50/1074506550.db2.gz XGFWOYBCFSRQPK-UHFFFAOYSA-N 1 0 412.494 0.999 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000491221952 1074582884 /nfs/dbraw/zinc/58/28/84/1074582884.db2.gz BPGINQYHNDTQIT-HNNXBMFYSA-N 1 0 424.523 0.567 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000491221953 1074582954 /nfs/dbraw/zinc/58/29/54/1074582954.db2.gz BPGINQYHNDTQIT-OAHLLOKOSA-N 1 0 424.523 0.567 20 0 HCADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000491222856 1074592467 /nfs/dbraw/zinc/59/24/67/1074592467.db2.gz KBYXJIKUORVWKF-HNNXBMFYSA-N 1 0 418.494 0.516 20 0 HCADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000491222857 1074592363 /nfs/dbraw/zinc/59/23/63/1074592363.db2.gz KBYXJIKUORVWKF-OAHLLOKOSA-N 1 0 418.494 0.516 20 0 HCADRO NC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000491227188 1074628373 /nfs/dbraw/zinc/62/83/73/1074628373.db2.gz ZXMOCKCPCPZBNN-HNNXBMFYSA-N 1 0 404.467 0.060 20 0 HCADRO NC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000491227189 1074628487 /nfs/dbraw/zinc/62/84/87/1074628487.db2.gz ZXMOCKCPCPZBNN-OAHLLOKOSA-N 1 0 404.467 0.060 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)cs1 ZINC000491244368 1074814708 /nfs/dbraw/zinc/81/47/08/1074814708.db2.gz VWFSFRUIPHPXJC-UHFFFAOYSA-N 1 0 401.558 0.953 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(CCOC)CC3)cc2)CC1 ZINC000491246737 1075091842 /nfs/dbraw/zinc/09/18/42/1075091842.db2.gz JYSPRAVGQMLKOT-UHFFFAOYSA-N 1 0 417.554 0.553 20 0 HCADRO CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000491246990 1074819778 /nfs/dbraw/zinc/81/97/78/1074819778.db2.gz MFYCMQSXEXLLBN-UHFFFAOYSA-N 1 0 412.512 0.350 20 0 HCADRO CCC1(CO)CC[NH+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000491253129 1075315383 /nfs/dbraw/zinc/31/53/83/1075315383.db2.gz DLCXTLIOZUGMNN-UHFFFAOYSA-N 1 0 401.515 0.496 20 0 HCADRO COCCN1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000491260471 1075359306 /nfs/dbraw/zinc/35/93/06/1075359306.db2.gz VRONHVFFVPFYHH-UHFFFAOYSA-N 1 0 406.552 0.965 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl ZINC000491269506 1075392468 /nfs/dbraw/zinc/39/24/68/1075392468.db2.gz BPGINABIIJNDOK-CYBMUJFWSA-N 1 0 408.890 0.170 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl ZINC000491269507 1075392594 /nfs/dbraw/zinc/39/25/94/1075392594.db2.gz BPGINABIIJNDOK-ZDUSSCGKSA-N 1 0 408.890 0.170 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F ZINC000491269658 1075398874 /nfs/dbraw/zinc/39/88/74/1075398874.db2.gz DILFCRQABPVIDY-UHFFFAOYSA-N 1 0 418.491 0.051 20 0 HCADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000491270051 1075403938 /nfs/dbraw/zinc/40/39/38/1075403938.db2.gz GFLNAOFRWAQTOB-INIZCTEOSA-N 1 0 420.510 0.545 20 0 HCADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000491270052 1075403852 /nfs/dbraw/zinc/40/38/52/1075403852.db2.gz GFLNAOFRWAQTOB-MRXNPFEDSA-N 1 0 420.510 0.545 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000491271806 1075414362 /nfs/dbraw/zinc/41/43/62/1075414362.db2.gz PIDFQOWOXJLDOV-INIZCTEOSA-N 1 0 406.483 0.088 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000491271807 1075414427 /nfs/dbraw/zinc/41/44/27/1075414427.db2.gz PIDFQOWOXJLDOV-MRXNPFEDSA-N 1 0 406.483 0.088 20 0 HCADRO COC(=O)CCCOc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000491273345 1075419094 /nfs/dbraw/zinc/41/90/94/1075419094.db2.gz XCWHRIUNAGMFNO-INIZCTEOSA-N 1 0 406.483 0.319 20 0 HCADRO COC(=O)CCCOc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000491273347 1075419216 /nfs/dbraw/zinc/41/92/16/1075419216.db2.gz XCWHRIUNAGMFNO-MRXNPFEDSA-N 1 0 406.483 0.319 20 0 HCADRO CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000491273882 1075423116 /nfs/dbraw/zinc/42/31/16/1075423116.db2.gz WVPLMVKOTUDGLX-UHFFFAOYSA-N 1 0 412.512 0.350 20 0 HCADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000491281605 1075434378 /nfs/dbraw/zinc/43/43/78/1075434378.db2.gz GAMUMCNGJKNCML-UHFFFAOYSA-N 1 0 401.471 0.119 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC000491283782 1075521339 /nfs/dbraw/zinc/52/13/39/1075521339.db2.gz KLFDGOBFQLXNGQ-UHFFFAOYSA-N 1 0 422.917 0.562 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000491293597 1075678506 /nfs/dbraw/zinc/67/85/06/1075678506.db2.gz FOOZWJHPLMKHMW-UHFFFAOYSA-N 1 0 412.512 0.207 20 0 HCADRO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000491293671 1075679505 /nfs/dbraw/zinc/67/95/05/1075679505.db2.gz FZHPPOCVANHVQI-UHFFFAOYSA-N 1 0 420.510 0.546 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl ZINC000491295203 1075724313 /nfs/dbraw/zinc/72/43/13/1075724313.db2.gz OIFCPNXDISGPFT-UHFFFAOYSA-N 1 0 411.890 0.893 20 0 HCADRO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000491295528 1075713122 /nfs/dbraw/zinc/71/31/22/1075713122.db2.gz OOTCYLGHZQFQNZ-PBHICJAKSA-N 1 0 418.494 0.859 20 0 HCADRO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000491295530 1075713344 /nfs/dbraw/zinc/71/33/44/1075713344.db2.gz OOTCYLGHZQFQNZ-RHSMWYFYSA-N 1 0 418.494 0.859 20 0 HCADRO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000491295532 1075713059 /nfs/dbraw/zinc/71/30/59/1075713059.db2.gz OOTCYLGHZQFQNZ-WMLDXEAASA-N 1 0 418.494 0.859 20 0 HCADRO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000491295534 1075713203 /nfs/dbraw/zinc/71/32/03/1075713203.db2.gz OOTCYLGHZQFQNZ-YOEHRIQHSA-N 1 0 418.494 0.859 20 0 HCADRO CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000491296150 1075751026 /nfs/dbraw/zinc/75/10/26/1075751026.db2.gz LSNBTLPDPIKASS-INIZCTEOSA-N 1 0 411.528 0.139 20 0 HCADRO CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000491296151 1075751071 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416.573 0.650 20 0 HCADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000491305081 1075833790 /nfs/dbraw/zinc/83/37/90/1075833790.db2.gz BKDWJVDQLFBUBG-UHFFFAOYSA-N 1 0 415.498 0.604 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC000491305139 1075835742 /nfs/dbraw/zinc/83/57/42/1075835742.db2.gz MFIPMXNIEVBPKB-UHFFFAOYSA-N 1 0 422.917 0.562 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000491309822 1075856640 /nfs/dbraw/zinc/85/66/40/1075856640.db2.gz LXEGFFLGNSUMBX-UHFFFAOYSA-N 1 0 402.492 0.719 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000491310136 1075857657 /nfs/dbraw/zinc/85/76/57/1075857657.db2.gz OILXOEUGCGBBCZ-UHFFFAOYSA-N 1 0 406.483 0.185 20 0 HCADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCN(CC(=O)N4CCCC4)CC3)n2)CC1 ZINC000491310382 1075856397 /nfs/dbraw/zinc/85/63/97/1075856397.db2.gz PXZYLZPCQGFZQL-UHFFFAOYSA-N 1 0 403.531 0.922 20 0 HCADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000491310840 1075861381 /nfs/dbraw/zinc/86/13/81/1075861381.db2.gz SHBNRMWBYQOLDT-UHFFFAOYSA-N 1 0 420.510 0.641 20 0 HCADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000491310874 1075862823 /nfs/dbraw/zinc/86/28/23/1075862823.db2.gz SQFLRYYIPQJOCW-UHFFFAOYSA-N 1 0 414.528 0.254 20 0 HCADRO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000491312669 1075863858 /nfs/dbraw/zinc/86/38/58/1075863858.db2.gz POPBLGYFSIXDIH-FGTMMUONSA-N 1 0 417.558 0.583 20 0 HCADRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000491312670 1075863843 /nfs/dbraw/zinc/86/38/43/1075863843.db2.gz POPBLGYFSIXDIH-KURKYZTESA-N 1 0 417.558 0.583 20 0 HCADRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000491312671 1075863798 /nfs/dbraw/zinc/86/37/98/1075863798.db2.gz POPBLGYFSIXDIH-KZNAEPCWSA-N 1 0 417.558 0.583 20 0 HCADRO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000491312672 1075863766 /nfs/dbraw/zinc/86/37/66/1075863766.db2.gz POPBLGYFSIXDIH-SQNIBIBYSA-N 1 0 417.558 0.583 20 0 HCADRO C[C@@H]1CN(C(=O)NCc2cccc(OCC(N)=O)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000491313067 1075869272 /nfs/dbraw/zinc/86/92/72/1075869272.db2.gz RZNHLEDMYWZFFI-APWZRJJASA-N 1 0 403.527 0.718 20 0 HCADRO C[C@H]1CN(C(=O)NCc2cccc(OCC(N)=O)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000491313068 1075869174 /nfs/dbraw/zinc/86/91/74/1075869174.db2.gz RZNHLEDMYWZFFI-LPHOPBHVSA-N 1 0 403.527 0.718 20 0 HCADRO C[C@H]1CN(C(=O)NCc2cccc(OCC(N)=O)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000491313069 1075869265 /nfs/dbraw/zinc/86/92/65/1075869265.db2.gz RZNHLEDMYWZFFI-QFBILLFUSA-N 1 0 403.527 0.718 20 0 HCADRO C[C@@H]1CN(C(=O)NCc2cccc(OCC(N)=O)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000491313070 1075869240 /nfs/dbraw/zinc/86/92/40/1075869240.db2.gz RZNHLEDMYWZFFI-VQIMIIECSA-N 1 0 403.527 0.718 20 0 HCADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)C1 ZINC000491482964 1077236263 /nfs/dbraw/zinc/23/62/63/1077236263.db2.gz DPIAZHJGNRNYSR-HNNXBMFYSA-N 1 0 419.507 0.767 20 0 HCADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)C1 ZINC000491482965 1077236316 /nfs/dbraw/zinc/23/63/16/1077236316.db2.gz DPIAZHJGNRNYSR-OAHLLOKOSA-N 1 0 419.507 0.767 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000491483053 1077236364 /nfs/dbraw/zinc/23/63/64/1077236364.db2.gz FFGHUYBYTWMZPK-UHFFFAOYSA-N 1 0 400.476 0.473 20 0 HCADRO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000491485139 1077236820 /nfs/dbraw/zinc/23/68/20/1077236820.db2.gz LUUNPBVZPFNTBM-CRAIPNDOSA-N 1 0 422.530 0.067 20 0 HCADRO CC(C)[C@H]1OCCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000491485140 1077236915 /nfs/dbraw/zinc/23/69/15/1077236915.db2.gz LUUNPBVZPFNTBM-MAUKXSAKSA-N 1 0 422.530 0.067 20 0 HCADRO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000491485141 1077236719 /nfs/dbraw/zinc/23/67/19/1077236719.db2.gz LUUNPBVZPFNTBM-QAPCUYQASA-N 1 0 422.530 0.067 20 0 HCADRO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000491485142 1077236652 /nfs/dbraw/zinc/23/66/52/1077236652.db2.gz LUUNPBVZPFNTBM-YJBOKZPZSA-N 1 0 422.530 0.067 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000491485565 1077236285 /nfs/dbraw/zinc/23/62/85/1077236285.db2.gz NELCGUAFKGGXAB-UHFFFAOYSA-N 1 0 414.503 0.815 20 0 HCADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000491486317 1077236633 /nfs/dbraw/zinc/23/66/33/1077236633.db2.gz OPTZAPBHFMVEQX-UHFFFAOYSA-N 1 0 412.512 0.008 20 0 HCADRO Cc1cc(F)ccc1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000491500036 1077234269 /nfs/dbraw/zinc/23/42/69/1077234269.db2.gz JFKVRKFNGWIFGS-UHFFFAOYSA-N 1 0 418.473 0.306 20 0 HCADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 ZINC000491500342 1077234226 /nfs/dbraw/zinc/23/42/26/1077234226.db2.gz LTWBNYBULAPAHV-UHFFFAOYSA-N 1 0 412.512 0.486 20 0 HCADRO Cc1nnnn1-c1cc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1F ZINC000491502582 1077234773 /nfs/dbraw/zinc/23/47/73/1077234773.db2.gz QHUCSROTDULNQO-UHFFFAOYSA-N 1 0 416.461 0.882 20 0 HCADRO COCCc1cc(NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)n(C)n1 ZINC000491511099 1077240344 /nfs/dbraw/zinc/24/03/44/1077240344.db2.gz BNPIRRDOBXMPGZ-UHFFFAOYSA-N 1 0 421.542 0.946 20 0 HCADRO CC(C)c1csc(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)n1 ZINC000491511162 1077240744 /nfs/dbraw/zinc/24/07/44/1077240744.db2.gz CFEOEOAFKJGZJN-UHFFFAOYSA-N 1 0 421.527 0.396 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC3(CCO)CCC3)c2)CC1 ZINC000491512164 1077241152 /nfs/dbraw/zinc/24/11/52/1077241152.db2.gz MOXARRNFQNUIMG-UHFFFAOYSA-N 1 0 416.522 0.991 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000491514439 1077241197 /nfs/dbraw/zinc/24/11/97/1077241197.db2.gz UCITVGACVXKIOG-CXAGYDPISA-N 1 0 402.499 0.479 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000491514440 1077241087 /nfs/dbraw/zinc/24/10/87/1077241087.db2.gz UCITVGACVXKIOG-DYVFJYSZSA-N 1 0 402.499 0.479 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000491514441 1077241256 /nfs/dbraw/zinc/24/12/56/1077241256.db2.gz UCITVGACVXKIOG-GUYCJALGSA-N 1 0 402.499 0.479 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000491514442 1077241334 /nfs/dbraw/zinc/24/13/34/1077241334.db2.gz UCITVGACVXKIOG-SUMWQHHRSA-N 1 0 402.499 0.479 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCN3CCSCC3)c2)CC1 ZINC000491518802 1077241822 /nfs/dbraw/zinc/24/18/22/1077241822.db2.gz AIYWQOSDFDQMQP-UHFFFAOYSA-N 1 0 405.568 0.538 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1 ZINC000491522826 1077242337 /nfs/dbraw/zinc/24/23/37/1077242337.db2.gz AUEWMYPMQLRXSF-UHFFFAOYSA-N 1 0 404.467 0.744 20 0 HCADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000491528774 1077237773 /nfs/dbraw/zinc/23/77/73/1077237773.db2.gz FSVMOXNOPDSFBA-HNNXBMFYSA-N 1 0 408.524 0.786 20 0 HCADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000491528775 1077237640 /nfs/dbraw/zinc/23/76/40/1077237640.db2.gz FSVMOXNOPDSFBA-OAHLLOKOSA-N 1 0 408.524 0.786 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2cc(F)ccc2F)cn1 ZINC000491530080 1077238047 /nfs/dbraw/zinc/23/80/47/1077238047.db2.gz KDTCHGIZICMUBU-UHFFFAOYSA-N 1 0 422.436 0.137 20 0 HCADRO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000491530653 1077238179 /nfs/dbraw/zinc/23/81/79/1077238179.db2.gz LEEHPOWPZJGIQF-HNNXBMFYSA-N 1 0 406.483 0.563 20 0 HCADRO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000491530654 1077238229 /nfs/dbraw/zinc/23/82/29/1077238229.db2.gz LEEHPOWPZJGIQF-OAHLLOKOSA-N 1 0 406.483 0.563 20 0 HCADRO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000491531836 1077238078 /nfs/dbraw/zinc/23/80/78/1077238078.db2.gz NZOVKGYZBMSWNP-HNNXBMFYSA-N 1 0 412.512 0.150 20 0 HCADRO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000491531837 1077238246 /nfs/dbraw/zinc/23/82/46/1077238246.db2.gz NZOVKGYZBMSWNP-OAHLLOKOSA-N 1 0 412.512 0.150 20 0 HCADRO CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000491532048 1077238477 /nfs/dbraw/zinc/23/84/77/1077238477.db2.gz RZPOYXKTHNBWET-CRAIPNDOSA-N 1 0 404.511 0.926 20 0 HCADRO CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000491532049 1077238843 /nfs/dbraw/zinc/23/88/43/1077238843.db2.gz RZPOYXKTHNBWET-MAUKXSAKSA-N 1 0 404.511 0.926 20 0 HCADRO CC[C@@H](C)[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000491532050 1077238808 /nfs/dbraw/zinc/23/88/08/1077238808.db2.gz RZPOYXKTHNBWET-QAPCUYQASA-N 1 0 404.511 0.926 20 0 HCADRO CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000491532051 1077238581 /nfs/dbraw/zinc/23/85/81/1077238581.db2.gz RZPOYXKTHNBWET-YJBOKZPZSA-N 1 0 404.511 0.926 20 0 HCADRO CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000491532285 1077238763 /nfs/dbraw/zinc/23/87/63/1077238763.db2.gz PPIOATHLZHALCO-INIZCTEOSA-N 1 0 412.512 0.614 20 0 HCADRO CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000491532286 1077238890 /nfs/dbraw/zinc/23/88/90/1077238890.db2.gz PPIOATHLZHALCO-MRXNPFEDSA-N 1 0 412.512 0.614 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCN3CCSCC3)ccc2oc1=O ZINC000491532759 1077238712 /nfs/dbraw/zinc/23/87/12/1077238712.db2.gz WCDPLSCVQYDZIO-UHFFFAOYSA-N 1 0 421.523 0.260 20 0 HCADRO CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000491534122 1077239639 /nfs/dbraw/zinc/23/96/39/1077239639.db2.gz UKIAEYYZHRUUOX-INIZCTEOSA-N 1 0 412.512 0.614 20 0 HCADRO CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000491534123 1077239720 /nfs/dbraw/zinc/23/97/20/1077239720.db2.gz UKIAEYYZHRUUOX-MRXNPFEDSA-N 1 0 412.512 0.614 20 0 HCADRO CNC(=O)c1ccc(OC)c(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000491536806 1077239746 /nfs/dbraw/zinc/23/97/46/1077239746.db2.gz CYZSNYIZODGMRB-UHFFFAOYSA-N 1 0 403.483 0.827 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCC3(CCO)CCC3)cc21 ZINC000491547113 1077244800 /nfs/dbraw/zinc/24/48/00/1077244800.db2.gz OQJBHPYJZCQJAJ-UHFFFAOYSA-N 1 0 404.467 0.764 20 0 HCADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H](C)c1ccccc1 ZINC000491547768 1077244301 /nfs/dbraw/zinc/24/43/01/1077244301.db2.gz QULLHGRHMVJBLQ-CVEARBPZSA-N 1 0 414.510 0.808 20 0 HCADRO C[C@H](c1ccccc1)[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000491547769 1077244429 /nfs/dbraw/zinc/24/44/29/1077244429.db2.gz QULLHGRHMVJBLQ-HOTGVXAUSA-N 1 0 414.510 0.808 20 0 HCADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H](C)c1ccccc1 ZINC000491547771 1077244311 /nfs/dbraw/zinc/24/43/11/1077244311.db2.gz QULLHGRHMVJBLQ-HZPDHXFCSA-N 1 0 414.510 0.808 20 0 HCADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H](C)c1ccccc1 ZINC000491547773 1077244319 /nfs/dbraw/zinc/24/43/19/1077244319.db2.gz QULLHGRHMVJBLQ-JKSUJKDBSA-N 1 0 414.510 0.808 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CCSC1 ZINC000491548680 1077244776 /nfs/dbraw/zinc/24/47/76/1077244776.db2.gz SLISKKPONWXJND-IBGZPJMESA-N 1 0 422.555 0.434 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CCSC1 ZINC000491548683 1077244875 /nfs/dbraw/zinc/24/48/75/1077244875.db2.gz SLISKKPONWXJND-LJQANCHMSA-N 1 0 422.555 0.434 20 0 HCADRO CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc21 ZINC000491557183 1077245616 /nfs/dbraw/zinc/24/56/16/1077245616.db2.gz BNKANEOUBXJXHZ-KRWDZBQOSA-N 1 0 415.494 0.457 20 0 HCADRO CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc21 ZINC000491557184 1077245602 /nfs/dbraw/zinc/24/56/02/1077245602.db2.gz BNKANEOUBXJXHZ-QGZVFWFLSA-N 1 0 415.494 0.457 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000491559126 1077242955 /nfs/dbraw/zinc/24/29/55/1077242955.db2.gz ZAQJAXXAQCGECA-UHFFFAOYSA-N 1 0 409.512 0.367 20 0 HCADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000491559553 1077243010 /nfs/dbraw/zinc/24/30/10/1077243010.db2.gz LHHXGBWJQIGGSN-INIZCTEOSA-N 1 0 418.542 0.975 20 0 HCADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000491559554 1077243025 /nfs/dbraw/zinc/24/30/25/1077243025.db2.gz LHHXGBWJQIGGSN-MRXNPFEDSA-N 1 0 418.542 0.975 20 0 HCADRO O=C(Cn1cc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cn1)NC1CC1 ZINC000491560746 1077243336 /nfs/dbraw/zinc/24/33/36/1077243336.db2.gz QRNPBTAMKUPDGM-UHFFFAOYSA-N 1 0 402.499 0.577 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)CC1 ZINC000491560967 1077242980 /nfs/dbraw/zinc/24/29/80/1077242980.db2.gz RPDZFVSZJGQUJB-GOSISDBHSA-N 1 0 410.478 0.576 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)CC1 ZINC000491560968 1077242700 /nfs/dbraw/zinc/24/27/00/1077242700.db2.gz RPDZFVSZJGQUJB-SFHVURJKSA-N 1 0 410.478 0.576 20 0 HCADRO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000491568755 1077249031 /nfs/dbraw/zinc/24/90/31/1077249031.db2.gz JFZZAXPLNJHTBK-HAGHYFMRSA-N 1 0 411.502 0.937 20 0 HCADRO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000491568756 1077248978 /nfs/dbraw/zinc/24/89/78/1077248978.db2.gz JFZZAXPLNJHTBK-VNTMZGSJSA-N 1 0 411.502 0.937 20 0 HCADRO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000491568758 1077249107 /nfs/dbraw/zinc/24/91/07/1077249107.db2.gz JFZZAXPLNJHTBK-YSTOQKLRSA-N 1 0 411.502 0.937 20 0 HCADRO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000491568759 1077249548 /nfs/dbraw/zinc/24/95/48/1077249548.db2.gz JFZZAXPLNJHTBK-ZRNYENFQSA-N 1 0 411.502 0.937 20 0 HCADRO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)nnn1-c1ccn(C)n1 ZINC000491569385 1077249378 /nfs/dbraw/zinc/24/93/78/1077249378.db2.gz KYLOHKDXXLDFAS-MSOLQXFVSA-N 1 0 409.494 0.922 20 0 HCADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)nnn1-c1ccn(C)n1 ZINC000491569390 1077249488 /nfs/dbraw/zinc/24/94/88/1077249488.db2.gz KYLOHKDXXLDFAS-QZTJIDSGSA-N 1 0 409.494 0.922 20 0 HCADRO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)nnn1-c1ccn(C)n1 ZINC000491569391 1077249348 /nfs/dbraw/zinc/24/93/48/1077249348.db2.gz KYLOHKDXXLDFAS-ROUUACIJSA-N 1 0 409.494 0.922 20 0 HCADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)nnn1-c1ccn(C)n1 ZINC000491569392 1077249414 /nfs/dbraw/zinc/24/94/14/1077249414.db2.gz KYLOHKDXXLDFAS-ZWKOTPCHSA-N 1 0 409.494 0.922 20 0 HCADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)NC(=O)CNC2=O ZINC000491570758 1077249530 /nfs/dbraw/zinc/24/95/30/1077249530.db2.gz ULVLIONGDNPFFK-HKUYNNGSSA-N 1 0 422.485 0.981 20 0 HCADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc2c(c1)NC(=O)CNC2=O ZINC000491570759 1077249462 /nfs/dbraw/zinc/24/94/62/1077249462.db2.gz ULVLIONGDNPFFK-IEBWSBKVSA-N 1 0 422.485 0.981 20 0 HCADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc2c(c1)NC(=O)CNC2=O ZINC000491570760 1077249514 /nfs/dbraw/zinc/24/95/14/1077249514.db2.gz ULVLIONGDNPFFK-MJGOQNOKSA-N 1 0 422.485 0.981 20 0 HCADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)NC(=O)CNC2=O ZINC000491570761 1077249441 /nfs/dbraw/zinc/24/94/41/1077249441.db2.gz ULVLIONGDNPFFK-PKOBYXMFSA-N 1 0 422.485 0.981 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1)Cc1ccc(F)cc1 ZINC000491571833 1077249582 /nfs/dbraw/zinc/24/95/82/1077249582.db2.gz ICBSAXGBUDZASC-UHFFFAOYSA-N 1 0 416.457 0.488 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCc3c2cccc3O)cn1 ZINC000491571865 1077249503 /nfs/dbraw/zinc/24/95/03/1077249503.db2.gz IIZAKTHVRVLJDV-INIZCTEOSA-N 1 0 414.466 0.009 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCc3c2cccc3O)cn1 ZINC000491571866 1077249481 /nfs/dbraw/zinc/24/94/81/1077249481.db2.gz IIZAKTHVRVLJDV-MRXNPFEDSA-N 1 0 414.466 0.009 20 0 HCADRO Cn1cnc(CCNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)n1 ZINC000491572341 1077249920 /nfs/dbraw/zinc/24/99/20/1077249920.db2.gz MGIOJGKRLGDFCJ-UHFFFAOYSA-N 1 0 400.483 0.977 20 0 HCADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000491572686 1077250003 /nfs/dbraw/zinc/25/00/03/1077250003.db2.gz CXHFIENLUULOFQ-UHFFFAOYSA-N 1 0 408.484 0.216 20 0 HCADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000491573266 1077250385 /nfs/dbraw/zinc/25/03/85/1077250385.db2.gz RHKMQEOJUUIHRJ-KRWDZBQOSA-N 1 0 415.494 0.726 20 0 HCADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000491573267 1077250266 /nfs/dbraw/zinc/25/02/66/1077250266.db2.gz RHKMQEOJUUIHRJ-QGZVFWFLSA-N 1 0 415.494 0.726 20 0 HCADRO COCCc1cc(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)n(C)n1 ZINC000491573420 1077250336 /nfs/dbraw/zinc/25/03/36/1077250336.db2.gz SFONZYNOCPLHIP-UHFFFAOYSA-N 1 0 407.515 0.651 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000491578246 1077245665 /nfs/dbraw/zinc/24/56/65/1077245665.db2.gz FBLLVHSEILEYJM-HNNXBMFYSA-N 1 0 407.583 0.700 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000491578247 1077245692 /nfs/dbraw/zinc/24/56/92/1077245692.db2.gz FBLLVHSEILEYJM-OAHLLOKOSA-N 1 0 407.583 0.700 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NCC3(CCO)CCC3)cc2)CC1 ZINC000491579221 1077246491 /nfs/dbraw/zinc/24/64/91/1077246491.db2.gz OPWLFYGJWBWBFO-UHFFFAOYSA-N 1 0 418.538 0.920 20 0 HCADRO CC(C)S(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000491580591 1077246465 /nfs/dbraw/zinc/24/64/65/1077246465.db2.gz CTBWZIXXAMUKOK-KRWDZBQOSA-N 1 0 411.524 0.737 20 0 HCADRO CC(C)S(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000491580592 1077246423 /nfs/dbraw/zinc/24/64/23/1077246423.db2.gz CTBWZIXXAMUKOK-QGZVFWFLSA-N 1 0 411.524 0.737 20 0 HCADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000491581913 1077246433 /nfs/dbraw/zinc/24/64/33/1077246433.db2.gz RJANBOIDQWMJTH-UHFFFAOYSA-N 1 0 402.455 0.284 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000491585610 1077248270 /nfs/dbraw/zinc/24/82/70/1077248270.db2.gz FKJCKZSEWPMKPN-UHFFFAOYSA-N 1 0 419.569 0.452 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000491586269 1077249071 /nfs/dbraw/zinc/24/90/71/1077249071.db2.gz LPOLHXAYQJZBJG-UHFFFAOYSA-N 1 0 418.585 0.289 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@H](C(N)=O)O1 ZINC000491586394 1077248768 /nfs/dbraw/zinc/24/87/68/1077248768.db2.gz NCQBTOBQMAUQAJ-CRAIPNDOSA-N 1 0 418.494 0.591 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@H](C(N)=O)O1 ZINC000491586395 1077248713 /nfs/dbraw/zinc/24/87/13/1077248713.db2.gz NCQBTOBQMAUQAJ-QAPCUYQASA-N 1 0 418.494 0.591 20 0 HCADRO COCCc1cc(NC(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)n(C)n1 ZINC000491587232 1077256867 /nfs/dbraw/zinc/25/68/67/1077256867.db2.gz WEYFLSLQWVPFEI-UHFFFAOYSA-N 1 0 407.515 0.508 20 0 HCADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000491587275 1077257014 /nfs/dbraw/zinc/25/70/14/1077257014.db2.gz WLYFOECHEJYOLA-DOTOQJQBSA-N 1 0 404.515 0.869 20 0 HCADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000491587276 1077256926 /nfs/dbraw/zinc/25/69/26/1077256926.db2.gz WLYFOECHEJYOLA-NVXWUHKLSA-N 1 0 404.515 0.869 20 0 HCADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000491587277 1077256890 /nfs/dbraw/zinc/25/68/90/1077256890.db2.gz WLYFOECHEJYOLA-RDJZCZTQSA-N 1 0 404.515 0.869 20 0 HCADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000491587278 1077257102 /nfs/dbraw/zinc/25/71/02/1077257102.db2.gz WLYFOECHEJYOLA-WBVHZDCISA-N 1 0 404.515 0.869 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000491587848 1077256655 /nfs/dbraw/zinc/25/66/55/1077256655.db2.gz CFYDECMMRUYKBS-UHFFFAOYSA-N 1 0 418.585 0.243 20 0 HCADRO CC(C)C1CCC(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000491588159 1077257510 /nfs/dbraw/zinc/25/75/10/1077257510.db2.gz FSHDGIGJCTVWTI-UHFFFAOYSA-N 1 0 406.531 0.830 20 0 HCADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000491589356 1077257346 /nfs/dbraw/zinc/25/73/46/1077257346.db2.gz PZOSJVGZSGNOGW-UHFFFAOYSA-N 1 0 418.542 0.975 20 0 HCADRO COc1cc(OC)c(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)c(OC)c1 ZINC000491590181 1077257939 /nfs/dbraw/zinc/25/79/39/1077257939.db2.gz XYDZNRHRHRWAHG-UHFFFAOYSA-N 1 0 401.529 0.970 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C[N@@H+]1C1CC1 ZINC000491592274 1077251729 /nfs/dbraw/zinc/25/17/29/1077251729.db2.gz SZENPTJMCSFUOB-DZGCQCFKSA-N 1 0 402.499 0.622 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C[N@@H+]1C1CC1 ZINC000491592275 1077251829 /nfs/dbraw/zinc/25/18/29/1077251829.db2.gz SZENPTJMCSFUOB-HIFRSBDPSA-N 1 0 402.499 0.622 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C[N@@H+]1C1CC1 ZINC000491592276 1077251770 /nfs/dbraw/zinc/25/17/70/1077251770.db2.gz SZENPTJMCSFUOB-UKRRQHHQSA-N 1 0 402.499 0.622 20 0 HCADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C[N@@H+]1C1CC1 ZINC000491592277 1077251669 /nfs/dbraw/zinc/25/16/69/1077251669.db2.gz SZENPTJMCSFUOB-ZFWWWQNUSA-N 1 0 402.499 0.622 20 0 HCADRO CS(=O)(=O)N1CCc2c(cccc2NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000491592390 1077252108 /nfs/dbraw/zinc/25/21/08/1077252108.db2.gz UYYUFRIADKFXNT-HNNXBMFYSA-N 1 0 406.508 0.249 20 0 HCADRO CS(=O)(=O)N1CCc2c(cccc2NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000491592391 1077252303 /nfs/dbraw/zinc/25/23/03/1077252303.db2.gz UYYUFRIADKFXNT-OAHLLOKOSA-N 1 0 406.508 0.249 20 0 HCADRO COc1cc(C)ccc1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000491592875 1077251814 /nfs/dbraw/zinc/25/18/14/1077251814.db2.gz ZNAUQRBOSDRRNI-UHFFFAOYSA-N 1 0 416.482 0.133 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000491593216 1077252231 /nfs/dbraw/zinc/25/22/31/1077252231.db2.gz CVGOVAFMTFQPQU-UHFFFAOYSA-N 1 0 405.542 0.110 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000491593853 1077252324 /nfs/dbraw/zinc/25/23/24/1077252324.db2.gz KAYCNVJHMKDHIE-HNNXBMFYSA-N 1 0 418.585 0.147 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000491593854 1077252181 /nfs/dbraw/zinc/25/21/81/1077252181.db2.gz KAYCNVJHMKDHIE-OAHLLOKOSA-N 1 0 418.585 0.147 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000491594098 1077252583 /nfs/dbraw/zinc/25/25/83/1077252583.db2.gz MPIFCBOGTYLOMU-HNNXBMFYSA-N 1 0 419.569 0.356 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000491594099 1077252549 /nfs/dbraw/zinc/25/25/49/1077252549.db2.gz MPIFCBOGTYLOMU-OAHLLOKOSA-N 1 0 419.569 0.356 20 0 HCADRO COc1cc(OC)c(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000491595397 1077252834 /nfs/dbraw/zinc/25/28/34/1077252834.db2.gz ZRUMSMXLHVWDRA-AWEZNQCLSA-N 1 0 401.529 0.874 20 0 HCADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000491595398 1077252974 /nfs/dbraw/zinc/25/29/74/1077252974.db2.gz ZRUMSMXLHVWDRA-CQSZACIVSA-N 1 0 401.529 0.874 20 0 HCADRO CN(Cc1cc(Cl)cn1C)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000491595457 1077252917 /nfs/dbraw/zinc/25/29/17/1077252917.db2.gz AFIFKNPFPLGTDV-UHFFFAOYSA-N 1 0 423.905 0.150 20 0 HCADRO NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)O1 ZINC000491596708 1077252884 /nfs/dbraw/zinc/25/28/84/1077252884.db2.gz NDIVPEZTURMDAT-MSOLQXFVSA-N 1 0 418.494 0.639 20 0 HCADRO NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)O1 ZINC000491596709 1077252991 /nfs/dbraw/zinc/25/29/91/1077252991.db2.gz NDIVPEZTURMDAT-QZTJIDSGSA-N 1 0 418.494 0.639 20 0 HCADRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)O1 ZINC000491596710 1077253002 /nfs/dbraw/zinc/25/30/02/1077253002.db2.gz NDIVPEZTURMDAT-ROUUACIJSA-N 1 0 418.494 0.639 20 0 HCADRO NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)O1 ZINC000491596711 1077252878 /nfs/dbraw/zinc/25/28/78/1077252878.db2.gz NDIVPEZTURMDAT-ZWKOTPCHSA-N 1 0 418.494 0.639 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000491601483 1077254593 /nfs/dbraw/zinc/25/45/93/1077254593.db2.gz MEGUOOOTDYMVHP-UHFFFAOYSA-N 1 0 419.569 0.716 20 0 HCADRO NS(=O)(=O)c1cccc(N2C(=O)C[C@H](N3CCc4cc[nH]c(=O)c4C3)C2=O)c1 ZINC000491607303 1077256534 /nfs/dbraw/zinc/25/65/34/1077256534.db2.gz NKROYZKKHCPGIR-HNNXBMFYSA-N 1 0 402.432 0.125 20 0 HCADRO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H](N3CCc4cc[nH]c(=O)c4C3)C2=O)c1 ZINC000491607304 1077256591 /nfs/dbraw/zinc/25/65/91/1077256591.db2.gz NKROYZKKHCPGIR-OAHLLOKOSA-N 1 0 402.432 0.125 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000491608544 1077256612 /nfs/dbraw/zinc/25/66/12/1077256612.db2.gz YTSDKBJMHMOMCY-UHFFFAOYSA-N 1 0 419.569 0.498 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1N1C(=O)CCC1=O ZINC000491609503 1077259031 /nfs/dbraw/zinc/25/90/31/1077259031.db2.gz IEDWISIBBKOFPP-HNNXBMFYSA-N 1 0 402.451 0.376 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1N1C(=O)CCC1=O ZINC000491609504 1077259708 /nfs/dbraw/zinc/25/97/08/1077259708.db2.gz IEDWISIBBKOFPP-OAHLLOKOSA-N 1 0 402.451 0.376 20 0 HCADRO CN(CCCn1ccnc1)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000491612457 1077258382 /nfs/dbraw/zinc/25/83/82/1077258382.db2.gz JMOUDBYBFPUZNC-UHFFFAOYSA-N 1 0 414.466 0.840 20 0 HCADRO Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)[nH]n1 ZINC000491676331 1077260973 /nfs/dbraw/zinc/26/09/73/1077260973.db2.gz PXDKCKYKURLQOB-GFCCVEGCSA-N 1 0 414.466 0.874 20 0 HCADRO Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)[nH]n1 ZINC000491676337 1077261171 /nfs/dbraw/zinc/26/11/71/1077261171.db2.gz PXDKCKYKURLQOB-LBPRGKRZSA-N 1 0 414.466 0.874 20 0 HCADRO CN(C)C(=O)COc1cccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000491685144 1077261637 /nfs/dbraw/zinc/26/16/37/1077261637.db2.gz LAXLLPAYQPOJIE-UHFFFAOYSA-N 1 0 417.510 0.926 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000491686104 1077261603 /nfs/dbraw/zinc/26/16/03/1077261603.db2.gz RPFLRSMVURXTIW-UHFFFAOYSA-N 1 0 408.524 0.410 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)CN1CCOCC1 ZINC000491719537 1077262961 /nfs/dbraw/zinc/26/29/61/1077262961.db2.gz ILIVVDAZIGGQNX-AWEZNQCLSA-N 1 0 405.542 0.231 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)CN1CCOCC1 ZINC000491719538 1077262780 /nfs/dbraw/zinc/26/27/80/1077262780.db2.gz ILIVVDAZIGGQNX-CQSZACIVSA-N 1 0 405.542 0.231 20 0 HCADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000491722543 1077263433 /nfs/dbraw/zinc/26/34/33/1077263433.db2.gz YCUZKIKGDKYFAW-KRWDZBQOSA-N 1 0 421.519 0.918 20 0 HCADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000491722544 1077263448 /nfs/dbraw/zinc/26/34/48/1077263448.db2.gz YCUZKIKGDKYFAW-QGZVFWFLSA-N 1 0 421.519 0.918 20 0 HCADRO Cc1c(NC(=O)C(=O)NCCN2CCSCC2)cccc1C(=O)N1CCOCC1 ZINC000491727969 1077262388 /nfs/dbraw/zinc/26/23/88/1077262388.db2.gz DWTXDKIRGVMSMR-UHFFFAOYSA-N 1 0 420.535 0.571 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CCSCC2)ccc1C ZINC000491736302 1077262507 /nfs/dbraw/zinc/26/25/07/1077262507.db2.gz IUCGBTXPBAEHGY-UHFFFAOYSA-N 1 0 400.526 0.007 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1N1CCCC1=O ZINC000491760415 1077264133 /nfs/dbraw/zinc/26/41/33/1077264133.db2.gz HWFHSVJEJUGTIW-HNNXBMFYSA-N 1 0 404.467 0.550 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1N1CCCC1=O ZINC000491760416 1077264238 /nfs/dbraw/zinc/26/42/38/1077264238.db2.gz HWFHSVJEJUGTIW-OAHLLOKOSA-N 1 0 404.467 0.550 20 0 HCADRO CCN(CC)C(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000491762399 1077263243 /nfs/dbraw/zinc/26/32/43/1077263243.db2.gz LLINHBNDTJOXER-GOSISDBHSA-N 1 0 404.511 0.825 20 0 HCADRO CCN(CC)C(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000491762400 1077263317 /nfs/dbraw/zinc/26/33/17/1077263317.db2.gz LLINHBNDTJOXER-SFHVURJKSA-N 1 0 404.511 0.825 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)cn1 ZINC000491767018 1077263814 /nfs/dbraw/zinc/26/38/14/1077263814.db2.gz WKFHFEDLINGHHQ-GFCCVEGCSA-N 1 0 400.430 0.194 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)cn1 ZINC000491767020 1077263805 /nfs/dbraw/zinc/26/38/05/1077263805.db2.gz WKFHFEDLINGHHQ-LBPRGKRZSA-N 1 0 400.430 0.194 20 0 HCADRO C[N@H+](CCNC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)C1CC1 ZINC000491779628 1077264779 /nfs/dbraw/zinc/26/47/79/1077264779.db2.gz BOUXWXDVQYALDD-UHFFFAOYSA-N 1 0 423.539 0.788 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+](C)C3CC3)CC2)cc1 ZINC000491783105 1077264603 /nfs/dbraw/zinc/26/46/03/1077264603.db2.gz FTOCZNQPSNQRMZ-UHFFFAOYSA-N 1 0 408.524 0.999 20 0 HCADRO C[N@H+](CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)C1CC1 ZINC000491790849 1077264361 /nfs/dbraw/zinc/26/43/61/1077264361.db2.gz SULBDVRVDKFRIA-UHFFFAOYSA-N 1 0 421.523 0.291 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1C ZINC000491798262 1077264089 /nfs/dbraw/zinc/26/40/89/1077264089.db2.gz VCLHTFJIOLJNRO-UHFFFAOYSA-N 1 0 423.539 0.675 20 0 HCADRO COCCC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000491805349 1077265402 /nfs/dbraw/zinc/26/54/02/1077265402.db2.gz GMIWGQLGLCROOO-UHFFFAOYSA-N 1 0 420.510 0.709 20 0 HCADRO CCN(C1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1)S(C)(=O)=O ZINC000491810662 1077265750 /nfs/dbraw/zinc/26/57/50/1077265750.db2.gz JQWDDSIRUBWLHM-UHFFFAOYSA-N 1 0 410.540 0.959 20 0 HCADRO C[N@H+](CCNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)C1CC1 ZINC000491830043 1077265564 /nfs/dbraw/zinc/26/55/64/1077265564.db2.gz LDYCHHSFYPEMIA-UHFFFAOYSA-N 1 0 406.512 0.673 20 0 HCADRO CCOC(=O)CN(C(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000491832789 1077265807 /nfs/dbraw/zinc/26/58/07/1077265807.db2.gz AXNCSPPZQRTMJU-UHFFFAOYSA-N 1 0 416.522 0.823 20 0 HCADRO CCS(=O)(=O)N1CCC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000491833394 1077266165 /nfs/dbraw/zinc/26/61/65/1077266165.db2.gz FKGCXGXKRUDGJP-MSOLQXFVSA-N 1 0 401.573 0.932 20 0 HCADRO CCS(=O)(=O)N1CCC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000491833396 1077266151 /nfs/dbraw/zinc/26/61/51/1077266151.db2.gz FKGCXGXKRUDGJP-QZTJIDSGSA-N 1 0 401.573 0.932 20 0 HCADRO CCS(=O)(=O)N1CCC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000491833398 1077265985 /nfs/dbraw/zinc/26/59/85/1077265985.db2.gz FKGCXGXKRUDGJP-ROUUACIJSA-N 1 0 401.573 0.932 20 0 HCADRO CCS(=O)(=O)N1CCC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000491833400 1077266013 /nfs/dbraw/zinc/26/60/13/1077266013.db2.gz FKGCXGXKRUDGJP-ZWKOTPCHSA-N 1 0 401.573 0.932 20 0 HCADRO O=C(CCNS(=O)(=O)c1cccnc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000491836296 1077266048 /nfs/dbraw/zinc/26/60/48/1077266048.db2.gz ZTBZQFOBOPNABN-MSOLQXFVSA-N 1 0 410.540 0.634 20 0 HCADRO O=C(CCNS(=O)(=O)c1cccnc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000491836297 1077266172 /nfs/dbraw/zinc/26/61/72/1077266172.db2.gz ZTBZQFOBOPNABN-QZTJIDSGSA-N 1 0 410.540 0.634 20 0 HCADRO O=C(CCNS(=O)(=O)c1cccnc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000491836298 1077266109 /nfs/dbraw/zinc/26/61/09/1077266109.db2.gz ZTBZQFOBOPNABN-ROUUACIJSA-N 1 0 410.540 0.634 20 0 HCADRO O=C(CCNS(=O)(=O)c1cccnc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000491836299 1077266206 /nfs/dbraw/zinc/26/62/06/1077266206.db2.gz ZTBZQFOBOPNABN-ZWKOTPCHSA-N 1 0 410.540 0.634 20 0 HCADRO O=C(NCCNS(=O)(=O)c1cccnc1)Nc1ccc(Cn2ccnc2)cn1 ZINC000491836404 1077266025 /nfs/dbraw/zinc/26/60/25/1077266025.db2.gz BHUIEIKOTRPQAJ-UHFFFAOYSA-N 1 0 401.452 0.821 20 0 HCADRO C[N@H+](CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 ZINC000491837540 1077266583 /nfs/dbraw/zinc/26/65/83/1077266583.db2.gz MANHOSJHOOFLQE-UHFFFAOYSA-N 1 0 424.523 0.568 20 0 HCADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000491852503 1077266954 /nfs/dbraw/zinc/26/69/54/1077266954.db2.gz FSQKSRSTABEKPQ-MSOLQXFVSA-N 1 0 423.535 0.443 20 0 HCADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000491852505 1077266823 /nfs/dbraw/zinc/26/68/23/1077266823.db2.gz FSQKSRSTABEKPQ-QZTJIDSGSA-N 1 0 423.535 0.443 20 0 HCADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000491852508 1077266894 /nfs/dbraw/zinc/26/68/94/1077266894.db2.gz FSQKSRSTABEKPQ-ROUUACIJSA-N 1 0 423.535 0.443 20 0 HCADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000491852511 1077266882 /nfs/dbraw/zinc/26/68/82/1077266882.db2.gz FSQKSRSTABEKPQ-ZWKOTPCHSA-N 1 0 423.535 0.443 20 0 HCADRO C[N@H+](CCNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)C1CC1 ZINC000491856627 1077267167 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O=C(NCCCC[NH+]1CCOCC1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000492119984 1077278234 /nfs/dbraw/zinc/27/82/34/1077278234.db2.gz ANNUBHMMJYNROY-UHFFFAOYSA-N 1 0 409.552 0.759 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3CN(C)CCN3C)CC2)cc1 ZINC000492123024 1077278116 /nfs/dbraw/zinc/27/81/16/1077278116.db2.gz UOXSSBBOKVOOSV-IBGZPJMESA-N 1 0 423.583 0.634 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CN(C)CCN3C)CC2)cc1 ZINC000492123025 1077278209 /nfs/dbraw/zinc/27/82/09/1077278209.db2.gz UOXSSBBOKVOOSV-LJQANCHMSA-N 1 0 423.583 0.634 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000492123342 1077278202 /nfs/dbraw/zinc/27/82/02/1077278202.db2.gz YCGPDXSQWNZFLN-JOCHJYFZSA-N 1 0 412.490 0.802 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000492123343 1077278125 /nfs/dbraw/zinc/27/81/25/1077278125.db2.gz YCGPDXSQWNZFLN-QFIPXVFZSA-N 1 0 412.490 0.802 20 0 HCADRO Cc1nn(C)c(=O)c(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1C 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SGJWWQIUPKKKIJ-UHFFFAOYSA-N 1 0 403.527 0.723 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC000492197689 1077280691 /nfs/dbraw/zinc/28/06/91/1077280691.db2.gz SKFIOGOGSCHZKI-JWTNVVGKSA-N 1 0 401.511 0.476 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CC2)CC1 ZINC000492219360 1077282763 /nfs/dbraw/zinc/28/27/63/1077282763.db2.gz GKQKNKLZMGOQSO-GHTZIAJQSA-N 1 0 416.570 0.957 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)CC2)CC1 ZINC000492219361 1077282711 /nfs/dbraw/zinc/28/27/11/1077282711.db2.gz GKQKNKLZMGOQSO-NQIIRXRSSA-N 1 0 416.570 0.957 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)CC2)CC1 ZINC000492219362 1077282664 /nfs/dbraw/zinc/28/26/64/1077282664.db2.gz GKQKNKLZMGOQSO-RXVVDRJESA-N 1 0 416.570 0.957 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CC2)CC1 ZINC000492219363 1077282728 /nfs/dbraw/zinc/28/27/28/1077282728.db2.gz GKQKNKLZMGOQSO-WIYYLYMNSA-N 1 0 416.570 0.957 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CC2)CC1 ZINC000492219898 1077282651 /nfs/dbraw/zinc/28/26/51/1077282651.db2.gz OHAVAZCQABYLJZ-KDURUIRLSA-N 1 0 402.539 0.955 20 0 HCADRO COc1ccc(CNC(=O)C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)nc1 ZINC000492227238 1077282421 /nfs/dbraw/zinc/28/24/21/1077282421.db2.gz YRDHIDPJMIWNOV-UHFFFAOYSA-N 1 0 403.527 0.773 20 0 HCADRO CS(=O)(=O)CCCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000492236275 1077283279 /nfs/dbraw/zinc/28/32/79/1077283279.db2.gz DUUVLMQJBPUXCC-UHFFFAOYSA-N 1 0 402.561 0.445 20 0 HCADRO NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000492236570 1077283263 /nfs/dbraw/zinc/28/32/63/1077283263.db2.gz IRGIPSHOXQISIX-UHFFFAOYSA-N 1 0 417.553 0.457 20 0 HCADRO COc1ccc(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)nc1 ZINC000492252689 1077284723 /nfs/dbraw/zinc/28/47/23/1077284723.db2.gz LLHTZFRJTXFHBN-UHFFFAOYSA-N 1 0 412.490 0.980 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCOC3(CCOCC3)C2)cc1 ZINC000492258965 1077283845 /nfs/dbraw/zinc/28/38/45/1077283845.db2.gz OATAAZWADPJLGO-UHFFFAOYSA-N 1 0 418.494 0.923 20 0 HCADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000492295628 1077286065 /nfs/dbraw/zinc/28/60/65/1077286065.db2.gz QDVFAGZEHPLXFI-KRWDZBQOSA-N 1 0 408.524 0.713 20 0 HCADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000492295629 1077286175 /nfs/dbraw/zinc/28/61/75/1077286175.db2.gz QDVFAGZEHPLXFI-QGZVFWFLSA-N 1 0 408.524 0.713 20 0 HCADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCc3cscn3)cc2)CC1 ZINC000492298390 1077286283 /nfs/dbraw/zinc/28/62/83/1077286283.db2.gz XKKVAPKWKWIVCS-UHFFFAOYSA-N 1 0 415.519 0.757 20 0 HCADRO NS(=O)(=O)c1cccc(NC(=O)CN2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000492309085 1077286861 /nfs/dbraw/zinc/28/68/61/1077286861.db2.gz NLSPXWQACKRQCF-UHFFFAOYSA-N 1 0 410.540 0.707 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nc1 ZINC000492309094 1077287022 /nfs/dbraw/zinc/28/70/22/1077287022.db2.gz NPEAMNMSDLGYDW-UHFFFAOYSA-N 1 0 403.527 0.583 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nc1 ZINC000492311536 1077287241 /nfs/dbraw/zinc/28/72/41/1077287241.db2.gz UQKBANSBTYEIGY-CALCHBBNSA-N 1 0 403.527 0.723 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)nc1 ZINC000492311537 1077287198 /nfs/dbraw/zinc/28/71/98/1077287198.db2.gz UQKBANSBTYEIGY-IAGOWNOFSA-N 1 0 403.527 0.723 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nc1 ZINC000492311538 1077287352 /nfs/dbraw/zinc/28/73/52/1077287352.db2.gz UQKBANSBTYEIGY-IRXDYDNUSA-N 1 0 403.527 0.723 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccc(Cn3ccnc3)cn2)cn1 ZINC000492333053 1077287723 /nfs/dbraw/zinc/28/77/23/1077287723.db2.gz ZAVIFXKDCNVCBB-UHFFFAOYSA-N 1 0 411.470 0.845 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nc1 ZINC000492351367 1077288345 /nfs/dbraw/zinc/28/83/45/1077288345.db2.gz LODCNRGXGDMLTL-UHFFFAOYSA-N 1 0 403.527 0.723 20 0 HCADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc(F)cn1 ZINC000492372498 1077290580 /nfs/dbraw/zinc/29/05/80/1077290580.db2.gz GORXOSCAMJMGDM-NRFANRHFSA-N 1 0 400.454 0.932 20 0 HCADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc(F)cn1 ZINC000492372507 1077290695 /nfs/dbraw/zinc/29/06/95/1077290695.db2.gz GORXOSCAMJMGDM-OAQYLSRUSA-N 1 0 400.454 0.932 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(F)cn2)CC1 ZINC000492395058 1077291431 /nfs/dbraw/zinc/29/14/31/1077291431.db2.gz AGVOXOCZKZLWJT-UHFFFAOYSA-N 1 0 421.517 0.924 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCCCS(C)(=O)=O)CC1 ZINC000492399804 1077290987 /nfs/dbraw/zinc/29/09/87/1077290987.db2.gz KEPUOSBKSOGZFA-UHFFFAOYSA-N 1 0 404.577 0.547 20 0 HCADRO O=C(NCc1ccc(F)cn1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000492419124 1077292056 /nfs/dbraw/zinc/29/20/56/1077292056.db2.gz BUXPWWGIKOGSHP-UHFFFAOYSA-N 1 0 419.501 0.678 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000492440741 1077292729 /nfs/dbraw/zinc/29/27/29/1077292729.db2.gz MMBGELUTRWJRQN-UHFFFAOYSA-N 1 0 422.489 0.973 20 0 HCADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(F)cn2)CC1 ZINC000492446150 1077293005 /nfs/dbraw/zinc/29/30/05/1077293005.db2.gz OMDSTZBLJMYRPJ-UHFFFAOYSA-N 1 0 407.490 0.580 20 0 HCADRO C[N@H+](CCc1ccc(Cl)cc1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000492460861 1077293775 /nfs/dbraw/zinc/29/37/75/1077293775.db2.gz BWQJZOAGIBHLNJ-UHFFFAOYSA-N 1 0 422.957 0.817 20 0 HCADRO Cc1c(NC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)cnn1C ZINC000492462738 1077293240 /nfs/dbraw/zinc/29/32/40/1077293240.db2.gz OKASPSKWNZTNLJ-UHFFFAOYSA-N 1 0 400.483 0.932 20 0 HCADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000492487592 1077294660 /nfs/dbraw/zinc/29/46/60/1077294660.db2.gz SAVSZTADWCKRBZ-KRWDZBQOSA-N 1 0 415.498 0.868 20 0 HCADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000492487594 1077294596 /nfs/dbraw/zinc/29/45/96/1077294596.db2.gz SAVSZTADWCKRBZ-QGZVFWFLSA-N 1 0 415.498 0.868 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(F)cn2)CC1 ZINC000492488136 1077294579 /nfs/dbraw/zinc/29/45/79/1077294579.db2.gz JVNQQANITOWBAC-UHFFFAOYSA-N 1 0 421.517 0.780 20 0 HCADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000492489317 1077294859 /nfs/dbraw/zinc/29/48/59/1077294859.db2.gz WRVKKKRJKUWCDW-INIZCTEOSA-N 1 0 420.510 0.905 20 0 HCADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000492489318 1077294892 /nfs/dbraw/zinc/29/48/92/1077294892.db2.gz WRVKKKRJKUWCDW-MRXNPFEDSA-N 1 0 420.510 0.905 20 0 HCADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NCC1(O)CCS(=O)(=O)CC1 ZINC000492492044 1077295171 /nfs/dbraw/zinc/29/51/71/1077295171.db2.gz URALECGDKQNVPA-GOSISDBHSA-N 1 0 409.552 0.790 20 0 HCADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NCC1(O)CCS(=O)(=O)CC1 ZINC000492492047 1077295136 /nfs/dbraw/zinc/29/51/36/1077295136.db2.gz URALECGDKQNVPA-SFHVURJKSA-N 1 0 409.552 0.790 20 0 HCADRO C[NH+](C)CCCOc1ccc(CNC(=O)NCC2(O)CCS(=O)(=O)CC2)cc1 ZINC000492561338 1077298279 /nfs/dbraw/zinc/29/82/79/1077298279.db2.gz VQMJQPOTRUKSBS-UHFFFAOYSA-N 1 0 413.540 0.756 20 0 HCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(S(N)(=O)=O)nc3)nc2)CC1 ZINC000492573058 1077298452 /nfs/dbraw/zinc/29/84/52/1077298452.db2.gz NDLXWCJRISCRSR-UHFFFAOYSA-N 1 0 404.496 0.907 20 0 HCADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)C1 ZINC000492580572 1077299404 /nfs/dbraw/zinc/29/94/04/1077299404.db2.gz FIVXSGNJRYXVAX-CYBMUJFWSA-N 1 0 414.503 0.863 20 0 HCADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)C1 ZINC000492580573 1077299309 /nfs/dbraw/zinc/29/93/09/1077299309.db2.gz FIVXSGNJRYXVAX-ZDUSSCGKSA-N 1 0 414.503 0.863 20 0 HCADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000492583938 1077299621 /nfs/dbraw/zinc/29/96/21/1077299621.db2.gz SLHJMRVBTFFRBT-GOSISDBHSA-N 1 0 422.551 0.756 20 0 HCADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000492583939 1077299554 /nfs/dbraw/zinc/29/95/54/1077299554.db2.gz SLHJMRVBTFFRBT-SFHVURJKSA-N 1 0 422.551 0.756 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCc3cscn3)cc21 ZINC000492610615 1077301839 /nfs/dbraw/zinc/30/18/39/1077301839.db2.gz XXXYMUWEDBZTEO-UHFFFAOYSA-N 1 0 403.464 0.910 20 0 HCADRO CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000492632345 1077303251 /nfs/dbraw/zinc/30/32/51/1077303251.db2.gz UOTLLXJOZUQVJN-AZUAARDMSA-N 1 0 401.555 0.519 20 0 HCADRO CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000492632347 1077303417 /nfs/dbraw/zinc/30/34/17/1077303417.db2.gz UOTLLXJOZUQVJN-ICSRJNTNSA-N 1 0 401.555 0.519 20 0 HCADRO CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000492632350 1077303729 /nfs/dbraw/zinc/30/37/29/1077303729.db2.gz UOTLLXJOZUQVJN-QUCCMNQESA-N 1 0 401.555 0.519 20 0 HCADRO 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/nfs/dbraw/zinc/32/27/50/1077322750.db2.gz OIILVUKWRMPODQ-WMZOPIPTSA-N 1 0 420.535 0.363 20 0 HCADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000493036840 1077322702 /nfs/dbraw/zinc/32/27/02/1077322702.db2.gz WURPQKSIHCXMSI-KRWDZBQOSA-N 1 0 419.507 0.728 20 0 HCADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000493036841 1077322796 /nfs/dbraw/zinc/32/27/96/1077322796.db2.gz WURPQKSIHCXMSI-QGZVFWFLSA-N 1 0 419.507 0.728 20 0 HCADRO CC(=O)N1CCN(CCNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000493095599 1077325102 /nfs/dbraw/zinc/32/51/02/1077325102.db2.gz GDUOMCTXKOSRNB-UHFFFAOYSA-N 1 0 402.539 0.785 20 0 HCADRO Cc1nc(Cn2cc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)nn2)no1 ZINC000493104600 1077325809 /nfs/dbraw/zinc/32/58/09/1077325809.db2.gz JSTGWWJEZZOPCH-UHFFFAOYSA-N 1 0 410.482 0.565 20 0 HCADRO Cc1nc(Cn2nnc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c2C)no1 ZINC000493106040 1077325777 /nfs/dbraw/zinc/32/57/77/1077325777.db2.gz NYOVWYGPIPGRES-UHFFFAOYSA-N 1 0 424.509 0.874 20 0 HCADRO NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000493153786 1077327673 /nfs/dbraw/zinc/32/76/73/1077327673.db2.gz GNENDJIDVXKRAV-GOSISDBHSA-N 1 0 424.567 0.536 20 0 HCADRO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000493153790 1077327577 /nfs/dbraw/zinc/32/75/77/1077327577.db2.gz GNENDJIDVXKRAV-SFHVURJKSA-N 1 0 424.567 0.536 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](O)CC3)c2)CC1 ZINC000493203539 1077328715 /nfs/dbraw/zinc/32/87/15/1077328715.db2.gz UHCDBDYTKUMNJY-GOSISDBHSA-N 1 0 402.495 0.696 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H](O)CC3)c2)CC1 ZINC000493203541 1077328676 /nfs/dbraw/zinc/32/86/76/1077328676.db2.gz UHCDBDYTKUMNJY-SFHVURJKSA-N 1 0 402.495 0.696 20 0 HCADRO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)c1 ZINC000493217142 1077329286 /nfs/dbraw/zinc/32/92/86/1077329286.db2.gz QWRQCHVWYHGPOL-FQEVSTJZSA-N 1 0 400.523 0.743 20 0 HCADRO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)c1 ZINC000493217216 1077329223 /nfs/dbraw/zinc/32/92/23/1077329223.db2.gz QWRQCHVWYHGPOL-HXUWFJFHSA-N 1 0 400.523 0.743 20 0 HCADRO C[C@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)N1CCN(C)CC1 ZINC000493233351 1077330066 /nfs/dbraw/zinc/33/00/66/1077330066.db2.gz UHGPVHSXHXKTCT-GOSISDBHSA-N 1 0 401.555 0.764 20 0 HCADRO C[C@@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)N1CCN(C)CC1 ZINC000493233352 1077329981 /nfs/dbraw/zinc/32/99/81/1077329981.db2.gz UHGPVHSXHXKTCT-SFHVURJKSA-N 1 0 401.555 0.764 20 0 HCADRO O=C([C@H]1CC[C@@H](C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)O1)N1CCOCC1 ZINC000493276662 1077337871 /nfs/dbraw/zinc/33/78/71/1077337871.db2.gz LPADDEUFLAJSOJ-RBUKOAKNSA-N 1 0 409.527 0.354 20 0 HCADRO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c1 ZINC000493281574 1077339156 /nfs/dbraw/zinc/33/91/56/1077339156.db2.gz QKVVJJBQIVEODK-HNNXBMFYSA-N 1 0 417.553 0.954 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)CC2)cc1 ZINC000493316351 1077340023 /nfs/dbraw/zinc/34/00/23/1077340023.db2.gz APHJQPQTCPIEKX-AZUAARDMSA-N 1 0 420.579 0.854 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)CC2)cc1 ZINC000493316354 1077340171 /nfs/dbraw/zinc/34/01/71/1077340171.db2.gz APHJQPQTCPIEKX-ICSRJNTNSA-N 1 0 420.579 0.854 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)CC2)cc1 ZINC000493316357 1077340110 /nfs/dbraw/zinc/34/01/10/1077340110.db2.gz APHJQPQTCPIEKX-QUCCMNQESA-N 1 0 420.579 0.854 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)CC2)cc1 ZINC000493316359 1077340125 /nfs/dbraw/zinc/34/01/25/1077340125.db2.gz APHJQPQTCPIEKX-UYAOXDASSA-N 1 0 420.579 0.854 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[S@](=O)[C@H](C)C1 ZINC000493335601 1077339830 /nfs/dbraw/zinc/33/98/30/1077339830.db2.gz LYAISQFFIYOILN-HOLBHBGLSA-N 1 0 422.551 0.755 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[S@@](=O)[C@H](C)C1 ZINC000493335602 1077339755 /nfs/dbraw/zinc/33/97/55/1077339755.db2.gz LYAISQFFIYOILN-MHTXLSKPSA-N 1 0 422.551 0.755 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[S@@](=O)[C@@H](C)C1 ZINC000493335603 1077339630 /nfs/dbraw/zinc/33/96/30/1077339630.db2.gz LYAISQFFIYOILN-PEGYKEAPSA-N 1 0 422.551 0.755 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)C1 ZINC000493335604 1077339701 /nfs/dbraw/zinc/33/97/01/1077339701.db2.gz LYAISQFFIYOILN-WNNBVUDTSA-N 1 0 422.551 0.755 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CCC[C@@H](O)CC3)cc2)CC1 ZINC000493345185 1077342830 /nfs/dbraw/zinc/34/28/30/1077342830.db2.gz QCASDGZOKNUESB-GOSISDBHSA-N 1 0 404.511 0.625 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CCC[C@H](O)CC3)cc2)CC1 ZINC000493345186 1077343056 /nfs/dbraw/zinc/34/30/56/1077343056.db2.gz QCASDGZOKNUESB-SFHVURJKSA-N 1 0 404.511 0.625 20 0 HCADRO COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000493354187 1077340794 /nfs/dbraw/zinc/34/07/94/1077340794.db2.gz BWWCIZPVINAOAH-MSOLQXFVSA-N 1 0 420.510 0.305 20 0 HCADRO COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000493354188 1077340757 /nfs/dbraw/zinc/34/07/57/1077340757.db2.gz BWWCIZPVINAOAH-QZTJIDSGSA-N 1 0 420.510 0.305 20 0 HCADRO COC[C@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000493354189 1077340892 /nfs/dbraw/zinc/34/08/92/1077340892.db2.gz BWWCIZPVINAOAH-ROUUACIJSA-N 1 0 420.510 0.305 20 0 HCADRO COC[C@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000493354190 1077340852 /nfs/dbraw/zinc/34/08/52/1077340852.db2.gz BWWCIZPVINAOAH-ZWKOTPCHSA-N 1 0 420.510 0.305 20 0 HCADRO CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[NH+](C)C ZINC000493360902 1077341447 /nfs/dbraw/zinc/34/14/47/1077341447.db2.gz KHWOFNPHKGVSDK-SFHVURJKSA-N 1 0 411.524 0.877 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)C2)c1 ZINC000493365703 1077341818 /nfs/dbraw/zinc/34/18/18/1077341818.db2.gz REZCUIONHFAMCP-HOLBHBGLSA-N 1 0 422.551 0.676 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[S@@](=O)[C@H](C)C2)c1 ZINC000493365706 1077341791 /nfs/dbraw/zinc/34/17/91/1077341791.db2.gz REZCUIONHFAMCP-MHTXLSKPSA-N 1 0 422.551 0.676 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[S@@](=O)[C@@H](C)C2)c1 ZINC000493365707 1077341859 /nfs/dbraw/zinc/34/18/59/1077341859.db2.gz REZCUIONHFAMCP-PEGYKEAPSA-N 1 0 422.551 0.676 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)C2)c1 ZINC000493365708 1077341753 /nfs/dbraw/zinc/34/17/53/1077341753.db2.gz REZCUIONHFAMCP-WNNBVUDTSA-N 1 0 422.551 0.676 20 0 HCADRO CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)CC1 ZINC000493371238 1077343960 /nfs/dbraw/zinc/34/39/60/1077343960.db2.gz UTVYTPBNIOKJTP-RBUKOAKNSA-N 1 0 408.543 0.068 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000493379307 1077344431 /nfs/dbraw/zinc/34/44/31/1077344431.db2.gz CJIYDJPIOWYBMJ-IPELMVKDSA-N 1 0 414.506 0.845 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000493379310 1077344398 /nfs/dbraw/zinc/34/43/98/1077344398.db2.gz CJIYDJPIOWYBMJ-KFKAGJAMSA-N 1 0 414.506 0.845 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)[C@@H](CO)SC)cc2)CC1 ZINC000493382360 1077344256 /nfs/dbraw/zinc/34/42/56/1077344256.db2.gz IBHAOZBLFYFJAV-CRAIPNDOSA-N 1 0 408.568 0.991 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](CO)SC)cc2)CC1 ZINC000493382361 1077344414 /nfs/dbraw/zinc/34/44/14/1077344414.db2.gz IBHAOZBLFYFJAV-MAUKXSAKSA-N 1 0 408.568 0.991 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)[C@H](CO)SC)cc2)CC1 ZINC000493382362 1077344467 /nfs/dbraw/zinc/34/44/67/1077344467.db2.gz IBHAOZBLFYFJAV-QAPCUYQASA-N 1 0 408.568 0.991 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)[C@H](CO)SC)cc2)CC1 ZINC000493382363 1077344600 /nfs/dbraw/zinc/34/46/00/1077344600.db2.gz IBHAOZBLFYFJAV-YJBOKZPZSA-N 1 0 408.568 0.991 20 0 HCADRO C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000493387010 1077345065 /nfs/dbraw/zinc/34/50/65/1077345065.db2.gz PNDCZSMJLMNZKC-BBRMVZONSA-N 1 0 403.483 0.171 20 0 HCADRO C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000493387016 1077344949 /nfs/dbraw/zinc/34/49/49/1077344949.db2.gz PNDCZSMJLMNZKC-CJNGLKHVSA-N 1 0 403.483 0.171 20 0 HCADRO C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000493387017 1077345028 /nfs/dbraw/zinc/34/50/28/1077345028.db2.gz PNDCZSMJLMNZKC-CZUORRHYSA-N 1 0 403.483 0.171 20 0 HCADRO C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000493387018 1077344874 /nfs/dbraw/zinc/34/48/74/1077344874.db2.gz PNDCZSMJLMNZKC-XJKSGUPXSA-N 1 0 403.483 0.171 20 0 HCADRO CC[N@H+](CCC(=O)OC)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000493388421 1077345048 /nfs/dbraw/zinc/34/50/48/1077345048.db2.gz SQBKHGACUZVRBU-GOSISDBHSA-N 1 0 419.478 0.382 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](CCO)CSC)cc2)CC1 ZINC000493388789 1077345084 /nfs/dbraw/zinc/34/50/84/1077345084.db2.gz RVRKDYVARCSXLS-GOSISDBHSA-N 1 0 408.568 0.993 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](CCO)CSC)cc2)CC1 ZINC000493388791 1077344930 /nfs/dbraw/zinc/34/49/30/1077344930.db2.gz RVRKDYVARCSXLS-SFHVURJKSA-N 1 0 408.568 0.993 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC000493389397 1077345279 /nfs/dbraw/zinc/34/52/79/1077345279.db2.gz SPEDVDXQEJZRLA-FQEVSTJZSA-N 1 0 407.515 0.110 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC000493389398 1077345262 /nfs/dbraw/zinc/34/52/62/1077345262.db2.gz SPEDVDXQEJZRLA-HXUWFJFHSA-N 1 0 407.515 0.110 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000493408997 1077345934 /nfs/dbraw/zinc/34/59/34/1077345934.db2.gz KTELALXDKWJVPQ-PBHICJAKSA-N 1 0 409.508 0.694 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000493408998 1077346240 /nfs/dbraw/zinc/34/62/40/1077346240.db2.gz KTELALXDKWJVPQ-RHSMWYFYSA-N 1 0 409.508 0.694 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000493408999 1077346318 /nfs/dbraw/zinc/34/63/18/1077346318.db2.gz KTELALXDKWJVPQ-WMLDXEAASA-N 1 0 409.508 0.694 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000493409000 1077346255 /nfs/dbraw/zinc/34/62/55/1077346255.db2.gz KTELALXDKWJVPQ-YOEHRIQHSA-N 1 0 409.508 0.694 20 0 HCADRO Cn1c(=O)c(C(=O)C[NH2+][C@H]2CCC[C@]2(C)CO)c(N)n(Cc2ccccc2)c1=O ZINC000493410330 1077346280 /nfs/dbraw/zinc/34/62/80/1077346280.db2.gz KFHXLAURFASJQU-HRAATJIYSA-N 1 0 400.479 0.501 20 0 HCADRO Cn1c(=O)c(C(=O)C[NH2+][C@@H]2CCC[C@@]2(C)CO)c(N)n(Cc2ccccc2)c1=O ZINC000493410333 1077346343 /nfs/dbraw/zinc/34/63/43/1077346343.db2.gz KFHXLAURFASJQU-IERDGZPVSA-N 1 0 400.479 0.501 20 0 HCADRO Cn1c(=O)c(C(=O)C[NH2+][C@@H]2CCC[C@]2(C)CO)c(N)n(Cc2ccccc2)c1=O ZINC000493410335 1077346209 /nfs/dbraw/zinc/34/62/09/1077346209.db2.gz KFHXLAURFASJQU-IIBYNOLFSA-N 1 0 400.479 0.501 20 0 HCADRO Cn1c(=O)c(C(=O)C[NH2+][C@H]2CCC[C@@]2(C)CO)c(N)n(Cc2ccccc2)c1=O ZINC000493410337 1077346301 /nfs/dbraw/zinc/34/63/01/1077346301.db2.gz KFHXLAURFASJQU-KKSFZXQISA-N 1 0 400.479 0.501 20 0 HCADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000493415081 1077347242 /nfs/dbraw/zinc/34/72/42/1077347242.db2.gz WXOAFCGURRUIJK-ARFHVFGLSA-N 1 0 409.508 0.568 20 0 HCADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000493415083 1077347152 /nfs/dbraw/zinc/34/71/52/1077347152.db2.gz WXOAFCGURRUIJK-BZUAXINKSA-N 1 0 409.508 0.568 20 0 HCADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000493415086 1077347226 /nfs/dbraw/zinc/34/72/26/1077347226.db2.gz WXOAFCGURRUIJK-HRCADAONSA-N 1 0 409.508 0.568 20 0 HCADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000493415087 1077347205 /nfs/dbraw/zinc/34/72/05/1077347205.db2.gz WXOAFCGURRUIJK-OWCLPIDISA-N 1 0 409.508 0.568 20 0 HCADRO CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000493417025 1077347513 /nfs/dbraw/zinc/34/75/13/1077347513.db2.gz UTRMGCIJNLBJHH-CRAIPNDOSA-N 1 0 424.567 0.480 20 0 HCADRO CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000493417041 1077347527 /nfs/dbraw/zinc/34/75/27/1077347527.db2.gz UTRMGCIJNLBJHH-MAUKXSAKSA-N 1 0 424.567 0.480 20 0 HCADRO CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000493417044 1077347487 /nfs/dbraw/zinc/34/74/87/1077347487.db2.gz UTRMGCIJNLBJHH-QAPCUYQASA-N 1 0 424.567 0.480 20 0 HCADRO CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000493417050 1077347471 /nfs/dbraw/zinc/34/74/71/1077347471.db2.gz UTRMGCIJNLBJHH-YJBOKZPZSA-N 1 0 424.567 0.480 20 0 HCADRO COc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1OC ZINC000493437683 1077348890 /nfs/dbraw/zinc/34/88/90/1077348890.db2.gz HHRBLYKQCCVECG-GDBMZVCRSA-N 1 0 411.524 0.925 20 0 HCADRO COc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1OC ZINC000493437686 1077348988 /nfs/dbraw/zinc/34/89/88/1077348988.db2.gz HHRBLYKQCCVECG-GOEBONIOSA-N 1 0 411.524 0.925 20 0 HCADRO COc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OC ZINC000493437687 1077349166 /nfs/dbraw/zinc/34/91/66/1077349166.db2.gz HHRBLYKQCCVECG-HOCLYGCPSA-N 1 0 411.524 0.925 20 0 HCADRO COc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1OC ZINC000493437688 1077349090 /nfs/dbraw/zinc/34/90/90/1077349090.db2.gz HHRBLYKQCCVECG-ZBFHGGJFSA-N 1 0 411.524 0.925 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC[NH+]3CCCC3)c2)CC1 ZINC000493439141 1077347928 /nfs/dbraw/zinc/34/79/28/1077347928.db2.gz CAULTKOZCWKBPN-UHFFFAOYSA-N 1 0 408.524 0.365 20 0 HCADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@H](O)CC2)CC1 ZINC000493439476 1077347911 /nfs/dbraw/zinc/34/79/11/1077347911.db2.gz GYKZENSFLGNNCM-INIZCTEOSA-N 1 0 402.495 0.776 20 0 HCADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@@H](O)CC2)CC1 ZINC000493439477 1077347803 /nfs/dbraw/zinc/34/78/03/1077347803.db2.gz GYKZENSFLGNNCM-MRXNPFEDSA-N 1 0 402.495 0.776 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)[C@@H]2C1 ZINC000493440078 1077347978 /nfs/dbraw/zinc/34/79/78/1077347978.db2.gz QYLDDNKENFJBPJ-CKEIUWERSA-N 1 0 406.508 0.240 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)[C@H]2C1 ZINC000493440079 1077347867 /nfs/dbraw/zinc/34/78/67/1077347867.db2.gz QYLDDNKENFJBPJ-CPUCHLNUSA-N 1 0 406.508 0.240 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)[C@@H]2C1 ZINC000493440081 1077347948 /nfs/dbraw/zinc/34/79/48/1077347948.db2.gz QYLDDNKENFJBPJ-JKIFEVAISA-N 1 0 406.508 0.240 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)[C@H]2C1 ZINC000493440084 1077348192 /nfs/dbraw/zinc/34/81/92/1077348192.db2.gz QYLDDNKENFJBPJ-KEYYUXOJSA-N 1 0 406.508 0.240 20 0 HCADRO NC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000493443488 1077348568 /nfs/dbraw/zinc/34/85/68/1077348568.db2.gz SKENNOHKEYSSPO-AZUAARDMSA-N 1 0 424.501 0.652 20 0 HCADRO NC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000493443489 1077348486 /nfs/dbraw/zinc/34/84/86/1077348486.db2.gz SKENNOHKEYSSPO-ICSRJNTNSA-N 1 0 424.501 0.652 20 0 HCADRO NC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000493443490 1077348506 /nfs/dbraw/zinc/34/85/06/1077348506.db2.gz SKENNOHKEYSSPO-QUCCMNQESA-N 1 0 424.501 0.652 20 0 HCADRO NC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000493443491 1077348725 /nfs/dbraw/zinc/34/87/25/1077348725.db2.gz SKENNOHKEYSSPO-UYAOXDASSA-N 1 0 424.501 0.652 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000493467886 1077349304 /nfs/dbraw/zinc/34/93/04/1077349304.db2.gz UUSLXDXEJRLZLG-PBHICJAKSA-N 1 0 413.565 0.999 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000493467888 1077349411 /nfs/dbraw/zinc/34/94/11/1077349411.db2.gz UUSLXDXEJRLZLG-RHSMWYFYSA-N 1 0 413.565 0.999 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000493467890 1077349543 /nfs/dbraw/zinc/34/95/43/1077349543.db2.gz UUSLXDXEJRLZLG-WMLDXEAASA-N 1 0 413.565 0.999 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000493467891 1077349373 /nfs/dbraw/zinc/34/93/73/1077349373.db2.gz UUSLXDXEJRLZLG-YOEHRIQHSA-N 1 0 413.565 0.999 20 0 HCADRO CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000493470814 1077349469 /nfs/dbraw/zinc/34/94/69/1077349469.db2.gz AYSFDWUJWIOANU-UHFFFAOYSA-N 1 0 407.467 0.482 20 0 HCADRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000493473441 1077350025 /nfs/dbraw/zinc/35/00/25/1077350025.db2.gz PCHUSSRSGVHAJX-CNNODRBYSA-N 1 0 417.506 0.638 20 0 HCADRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000493473442 1077350222 /nfs/dbraw/zinc/35/02/22/1077350222.db2.gz PCHUSSRSGVHAJX-NNMXDRDESA-N 1 0 417.506 0.638 20 0 HCADRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000493473443 1077350157 /nfs/dbraw/zinc/35/01/57/1077350157.db2.gz PCHUSSRSGVHAJX-WOIUINJBSA-N 1 0 417.506 0.638 20 0 HCADRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000493473444 1077350148 /nfs/dbraw/zinc/35/01/48/1077350148.db2.gz PCHUSSRSGVHAJX-XQBPLPMBSA-N 1 0 417.506 0.638 20 0 HCADRO C[NH+]1CCN(c2cc(C(=O)N3CC[C@H](S(=O)(=O)N4CCCC4)C3)ccn2)CC1 ZINC000493474459 1077350506 /nfs/dbraw/zinc/35/05/06/1077350506.db2.gz TVACOBRLDDHVNN-KRWDZBQOSA-N 1 0 407.540 0.474 20 0 HCADRO C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H](S(=O)(=O)N4CCCC4)C3)ccn2)CC1 ZINC000493474460 1077350652 /nfs/dbraw/zinc/35/06/52/1077350652.db2.gz TVACOBRLDDHVNN-QGZVFWFLSA-N 1 0 407.540 0.474 20 0 HCADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000493503186 1077350957 /nfs/dbraw/zinc/35/09/57/1077350957.db2.gz MWJGGNAOZZAPIE-UHFFFAOYSA-N 1 0 404.492 0.863 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000493504727 1077350995 /nfs/dbraw/zinc/35/09/95/1077350995.db2.gz TWBZDBWAPWRHRD-HNNXBMFYSA-N 1 0 418.585 0.289 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000493504728 1077350912 /nfs/dbraw/zinc/35/09/12/1077350912.db2.gz TWBZDBWAPWRHRD-OAHLLOKOSA-N 1 0 418.585 0.289 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[S@@](=O)[C@@H](C)C3)cc2)CC1 ZINC000493505603 1077351193 /nfs/dbraw/zinc/35/11/93/1077351193.db2.gz XTZNQPZVSPRCQJ-DEXQXJORSA-N 1 0 406.552 0.742 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[S@](=O)[C@H](C)C3)cc2)CC1 ZINC000493505604 1077351229 /nfs/dbraw/zinc/35/12/29/1077351229.db2.gz XTZNQPZVSPRCQJ-HJWYETAXSA-N 1 0 406.552 0.742 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[S@](=O)[C@@H](C)C3)cc2)CC1 ZINC000493505605 1077351303 /nfs/dbraw/zinc/35/13/03/1077351303.db2.gz XTZNQPZVSPRCQJ-OLRZCDJHSA-N 1 0 406.552 0.742 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[S@@](=O)[C@H](C)C3)cc2)CC1 ZINC000493505606 1077351345 /nfs/dbraw/zinc/35/13/45/1077351345.db2.gz XTZNQPZVSPRCQJ-WVDZOPJMSA-N 1 0 406.552 0.742 20 0 HCADRO COc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1S(=O)(=O)N1CCOCC1 ZINC000493507588 1077353781 /nfs/dbraw/zinc/35/37/81/1077353781.db2.gz XNLZAYWNGFFLKP-DOTOQJQBSA-N 1 0 423.535 0.882 20 0 HCADRO COc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1S(=O)(=O)N1CCOCC1 ZINC000493507589 1077353814 /nfs/dbraw/zinc/35/38/14/1077353814.db2.gz XNLZAYWNGFFLKP-NVXWUHKLSA-N 1 0 423.535 0.882 20 0 HCADRO COc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1S(=O)(=O)N1CCOCC1 ZINC000493507590 1077353854 /nfs/dbraw/zinc/35/38/54/1077353854.db2.gz XNLZAYWNGFFLKP-RDJZCZTQSA-N 1 0 423.535 0.882 20 0 HCADRO COc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1S(=O)(=O)N1CCOCC1 ZINC000493507591 1077353739 /nfs/dbraw/zinc/35/37/39/1077353739.db2.gz XNLZAYWNGFFLKP-WBVHZDCISA-N 1 0 423.535 0.882 20 0 HCADRO NC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000493521950 1077352156 /nfs/dbraw/zinc/35/21/56/1077352156.db2.gz HLCHWBYPBWZLOY-HKUYNNGSSA-N 1 0 410.474 0.723 20 0 HCADRO NC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000493521953 1077352260 /nfs/dbraw/zinc/35/22/60/1077352260.db2.gz HLCHWBYPBWZLOY-IEBWSBKVSA-N 1 0 410.474 0.723 20 0 HCADRO NC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000493521955 1077352335 /nfs/dbraw/zinc/35/23/35/1077352335.db2.gz HLCHWBYPBWZLOY-MJGOQNOKSA-N 1 0 410.474 0.723 20 0 HCADRO NC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000493521957 1077352575 /nfs/dbraw/zinc/35/25/75/1077352575.db2.gz HLCHWBYPBWZLOY-PKOBYXMFSA-N 1 0 410.474 0.723 20 0 HCADRO C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000493528643 1077352719 /nfs/dbraw/zinc/35/27/19/1077352719.db2.gz PPGIEZILRFNEQB-AWEZNQCLSA-N 1 0 403.483 0.820 20 0 HCADRO C[C@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000493528646 1077352893 /nfs/dbraw/zinc/35/28/93/1077352893.db2.gz PPGIEZILRFNEQB-CQSZACIVSA-N 1 0 403.483 0.820 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[S@@]1=O ZINC000493540408 1077355161 /nfs/dbraw/zinc/35/51/61/1077355161.db2.gz AFTAVBJIJNOXTJ-ONSXPEOJSA-N 1 0 420.535 0.302 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[S@@]1=O ZINC000493540409 1077355238 /nfs/dbraw/zinc/35/52/38/1077355238.db2.gz AFTAVBJIJNOXTJ-MMEWPQADSA-N 1 0 420.535 0.302 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[S@]1=O ZINC000493540410 1077355213 /nfs/dbraw/zinc/35/52/13/1077355213.db2.gz AFTAVBJIJNOXTJ-MLNJSSBLSA-N 1 0 420.535 0.302 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[S@]1=O ZINC000493540411 1077355186 /nfs/dbraw/zinc/35/51/86/1077355186.db2.gz AFTAVBJIJNOXTJ-IZPCHGGPSA-N 1 0 420.535 0.302 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[S@@]1=O ZINC000493545581 1077355641 /nfs/dbraw/zinc/35/56/41/1077355641.db2.gz MGZVWIDMNNMZCE-YASQENCXSA-N 1 0 408.480 0.074 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[S@]1=O ZINC000493545591 1077355801 /nfs/dbraw/zinc/35/58/01/1077355801.db2.gz MGZVWIDMNNMZCE-PSBQPLHCSA-N 1 0 408.480 0.074 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[S@@]1=O ZINC000493545595 1077355825 /nfs/dbraw/zinc/35/58/25/1077355825.db2.gz MGZVWIDMNNMZCE-JNFKXCBWSA-N 1 0 408.480 0.074 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[S@]1=O ZINC000493545599 1077355935 /nfs/dbraw/zinc/35/59/35/1077355935.db2.gz MGZVWIDMNNMZCE-BODITIBLSA-N 1 0 408.480 0.074 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000493552586 1077354415 /nfs/dbraw/zinc/35/44/15/1077354415.db2.gz KSBPSOLFLKMFMY-CRAIPNDOSA-N 1 0 408.524 0.818 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000493552587 1077354545 /nfs/dbraw/zinc/35/45/45/1077354545.db2.gz KSBPSOLFLKMFMY-MAUKXSAKSA-N 1 0 408.524 0.818 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000493552588 1077354480 /nfs/dbraw/zinc/35/44/80/1077354480.db2.gz KSBPSOLFLKMFMY-QAPCUYQASA-N 1 0 408.524 0.818 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000493552589 1077354572 /nfs/dbraw/zinc/35/45/72/1077354572.db2.gz KSBPSOLFLKMFMY-YJBOKZPZSA-N 1 0 408.524 0.818 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3CS(=O)(=O)CCO3)CC2)cc1 ZINC000493571404 1077354965 /nfs/dbraw/zinc/35/49/65/1077354965.db2.gz BZSFYCQXTNJRCS-INIZCTEOSA-N 1 0 418.537 0.252 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CS(=O)(=O)CCO3)CC2)cc1 ZINC000493571407 1077354895 /nfs/dbraw/zinc/35/48/95/1077354895.db2.gz BZSFYCQXTNJRCS-MRXNPFEDSA-N 1 0 418.537 0.252 20 0 HCADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)s1 ZINC000493573527 1077354754 /nfs/dbraw/zinc/35/47/54/1077354754.db2.gz PHLJUBIAFUYNAU-DZGCQCFKSA-N 1 0 414.553 0.215 20 0 HCADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)s1 ZINC000493573531 1077354932 /nfs/dbraw/zinc/35/49/32/1077354932.db2.gz PHLJUBIAFUYNAU-HIFRSBDPSA-N 1 0 414.553 0.215 20 0 HCADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)s1 ZINC000493573533 1077354771 /nfs/dbraw/zinc/35/47/71/1077354771.db2.gz PHLJUBIAFUYNAU-UKRRQHHQSA-N 1 0 414.553 0.215 20 0 HCADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)s1 ZINC000493573535 1077354870 /nfs/dbraw/zinc/35/48/70/1077354870.db2.gz PHLJUBIAFUYNAU-ZFWWWQNUSA-N 1 0 414.553 0.215 20 0 HCADRO C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000493574777 1077356749 /nfs/dbraw/zinc/35/67/49/1077356749.db2.gz TYNKXGJXACQLRN-INIZCTEOSA-N 1 0 424.505 0.722 20 0 HCADRO C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000493574778 1077356873 /nfs/dbraw/zinc/35/68/73/1077356873.db2.gz TYNKXGJXACQLRN-MRXNPFEDSA-N 1 0 424.505 0.722 20 0 HCADRO CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000493600928 1077356114 /nfs/dbraw/zinc/35/61/14/1077356114.db2.gz AEGNTVDKNYJLTG-AZUAARDMSA-N 1 0 424.501 0.984 20 0 HCADRO CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000493600929 1077356307 /nfs/dbraw/zinc/35/63/07/1077356307.db2.gz AEGNTVDKNYJLTG-ICSRJNTNSA-N 1 0 424.501 0.984 20 0 HCADRO CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000493600931 1077356189 /nfs/dbraw/zinc/35/61/89/1077356189.db2.gz AEGNTVDKNYJLTG-QUCCMNQESA-N 1 0 424.501 0.984 20 0 HCADRO CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000493600933 1077356265 /nfs/dbraw/zinc/35/62/65/1077356265.db2.gz AEGNTVDKNYJLTG-UYAOXDASSA-N 1 0 424.501 0.984 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)[C@@H]3CCOC3)CC2)cc1 ZINC000493601730 1077356064 /nfs/dbraw/zinc/35/60/64/1077356064.db2.gz JQUMWKYUSBHUQS-BEFAXECRSA-N 1 0 411.524 0.785 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](O)[C@@H]3CCOC3)CC2)cc1 ZINC000493601732 1077356301 /nfs/dbraw/zinc/35/63/01/1077356301.db2.gz JQUMWKYUSBHUQS-DNVCBOLYSA-N 1 0 411.524 0.785 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](O)[C@H]3CCOC3)CC2)cc1 ZINC000493601734 1077356229 /nfs/dbraw/zinc/35/62/29/1077356229.db2.gz JQUMWKYUSBHUQS-HNAYVOBHSA-N 1 0 411.524 0.785 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)[C@H]3CCOC3)CC2)cc1 ZINC000493601736 1077356245 /nfs/dbraw/zinc/35/62/45/1077356245.db2.gz JQUMWKYUSBHUQS-KXBFYZLASA-N 1 0 411.524 0.785 20 0 HCADRO CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000493601798 1077356527 /nfs/dbraw/zinc/35/65/27/1077356527.db2.gz DTCFYPIDFGJDEB-PBHICJAKSA-N 1 0 422.551 0.631 20 0 HCADRO CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000493601800 1077356591 /nfs/dbraw/zinc/35/65/91/1077356591.db2.gz DTCFYPIDFGJDEB-RHSMWYFYSA-N 1 0 422.551 0.631 20 0 HCADRO CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000493601801 1077356444 /nfs/dbraw/zinc/35/64/44/1077356444.db2.gz DTCFYPIDFGJDEB-WMLDXEAASA-N 1 0 422.551 0.631 20 0 HCADRO CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000493601802 1077356391 /nfs/dbraw/zinc/35/63/91/1077356391.db2.gz DTCFYPIDFGJDEB-YOEHRIQHSA-N 1 0 422.551 0.631 20 0 HCADRO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cn1 ZINC000493602738 1077356416 /nfs/dbraw/zinc/35/64/16/1077356416.db2.gz HPGDQCUJKQLNBR-INIZCTEOSA-N 1 0 418.523 0.709 20 0 HCADRO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cn1 ZINC000493602739 1077356552 /nfs/dbraw/zinc/35/65/52/1077356552.db2.gz HPGDQCUJKQLNBR-MRXNPFEDSA-N 1 0 418.523 0.709 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000493602825 1077356541 /nfs/dbraw/zinc/35/65/41/1077356541.db2.gz PKXFDGKMMCFPSG-IBGZPJMESA-N 1 0 421.523 0.855 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000493602826 1077356585 /nfs/dbraw/zinc/35/65/85/1077356585.db2.gz PKXFDGKMMCFPSG-LJQANCHMSA-N 1 0 421.523 0.855 20 0 HCADRO CSC[C@H](CCO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000493606308 1077357711 /nfs/dbraw/zinc/35/77/11/1077357711.db2.gz PRHXTOLZVKQPNB-HNNXBMFYSA-N 1 0 422.551 0.633 20 0 HCADRO CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000493606309 1077357600 /nfs/dbraw/zinc/35/76/00/1077357600.db2.gz PRHXTOLZVKQPNB-OAHLLOKOSA-N 1 0 422.551 0.633 20 0 HCADRO CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000493607183 1077357844 /nfs/dbraw/zinc/35/78/44/1077357844.db2.gz UXHAXZIUAZYWMJ-UHFFFAOYSA-N 1 0 421.494 0.791 20 0 HCADRO CSc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)[NH+](C)C)cc1 ZINC000493621907 1077357120 /nfs/dbraw/zinc/35/71/20/1077357120.db2.gz PLJUQSSTGIGMDQ-HNNXBMFYSA-N 1 0 404.496 0.448 20 0 HCADRO CSc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)[NH+](C)C)cc1 ZINC000493621908 1077357083 /nfs/dbraw/zinc/35/70/83/1077357083.db2.gz PLJUQSSTGIGMDQ-OAHLLOKOSA-N 1 0 404.496 0.448 20 0 HCADRO CC(C)OCCN1CCN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000493629273 1077357369 /nfs/dbraw/zinc/35/73/69/1077357369.db2.gz AFSKWNKTXTUBSC-UHFFFAOYSA-N 1 0 411.524 0.739 20 0 HCADRO CCN1CCN(CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C(=O)C1=O ZINC000493638055 1077359194 /nfs/dbraw/zinc/35/91/94/1077359194.db2.gz JZOHPXOHGOFTKJ-GOSISDBHSA-N 1 0 402.495 0.639 20 0 HCADRO CCN1CCN(CC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C(=O)C1=O ZINC000493638056 1077359263 /nfs/dbraw/zinc/35/92/63/1077359263.db2.gz JZOHPXOHGOFTKJ-SFHVURJKSA-N 1 0 402.495 0.639 20 0 HCADRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000493656193 1077360157 /nfs/dbraw/zinc/36/01/57/1077360157.db2.gz KUGKFSUBOYTTHS-HKUYNNGSSA-N 1 0 413.515 0.799 20 0 HCADRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000493656200 1077360107 /nfs/dbraw/zinc/36/01/07/1077360107.db2.gz KUGKFSUBOYTTHS-IEBWSBKVSA-N 1 0 413.515 0.799 20 0 HCADRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000493656201 1077360034 /nfs/dbraw/zinc/36/00/34/1077360034.db2.gz KUGKFSUBOYTTHS-MJGOQNOKSA-N 1 0 413.515 0.799 20 0 HCADRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000493656202 1077360100 /nfs/dbraw/zinc/36/01/00/1077360100.db2.gz KUGKFSUBOYTTHS-PKOBYXMFSA-N 1 0 413.515 0.799 20 0 HCADRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000493656203 1077360167 /nfs/dbraw/zinc/36/01/67/1077360167.db2.gz KVBNHLADNQHDJC-HKUYNNGSSA-N 1 0 413.515 0.799 20 0 HCADRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000493656204 1077360187 /nfs/dbraw/zinc/36/01/87/1077360187.db2.gz KVBNHLADNQHDJC-IEBWSBKVSA-N 1 0 413.515 0.799 20 0 HCADRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000493656205 1077360041 /nfs/dbraw/zinc/36/00/41/1077360041.db2.gz KVBNHLADNQHDJC-MJGOQNOKSA-N 1 0 413.515 0.799 20 0 HCADRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000493656206 1077360008 /nfs/dbraw/zinc/36/00/08/1077360008.db2.gz KVBNHLADNQHDJC-PKOBYXMFSA-N 1 0 413.515 0.799 20 0 HCADRO COC[C@@H](CCO)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000493657197 1077360410 /nfs/dbraw/zinc/36/04/10/1077360410.db2.gz MKLZBLQOCCPXBM-GOSISDBHSA-N 1 0 420.510 0.953 20 0 HCADRO COC[C@H](CCO)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000493657200 1077360394 /nfs/dbraw/zinc/36/03/94/1077360394.db2.gz MKLZBLQOCCPXBM-SFHVURJKSA-N 1 0 420.510 0.953 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000493664206 1077359398 /nfs/dbraw/zinc/35/93/98/1077359398.db2.gz XVLCHVAXBMAFBZ-JKSUJKDBSA-N 1 0 402.495 0.829 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H](CCO)COC ZINC000493673266 1077361333 /nfs/dbraw/zinc/36/13/33/1077361333.db2.gz ACQAHDGONAUVCU-HNNXBMFYSA-N 1 0 408.499 0.289 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H](CCO)COC ZINC000493673267 1077361226 /nfs/dbraw/zinc/36/12/26/1077361226.db2.gz ACQAHDGONAUVCU-OAHLLOKOSA-N 1 0 408.499 0.289 20 0 HCADRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000493679168 1077361803 /nfs/dbraw/zinc/36/18/03/1077361803.db2.gz LUQRMNZJQVRKMF-AZUAARDMSA-N 1 0 409.552 0.801 20 0 HCADRO 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/nfs/dbraw/zinc/37/13/69/1077371369.db2.gz KRUCXBXHROWFTR-NHYWBVRUSA-N 1 0 410.496 0.323 20 0 HCADRO CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000493882955 1077371296 /nfs/dbraw/zinc/37/12/96/1077371296.db2.gz KRUCXBXHROWFTR-XHDPSFHLSA-N 1 0 410.496 0.323 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000493888623 1077372015 /nfs/dbraw/zinc/37/20/15/1077372015.db2.gz OKFFLKPXHZRUCY-CHWSQXEVSA-N 1 0 407.583 0.651 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000493888624 1077371971 /nfs/dbraw/zinc/37/19/71/1077371971.db2.gz OKFFLKPXHZRUCY-OLZOCXBDSA-N 1 0 407.583 0.651 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000493888625 1077372110 /nfs/dbraw/zinc/37/21/10/1077372110.db2.gz OKFFLKPXHZRUCY-QWHCGFSZSA-N 1 0 407.583 0.651 20 0 HCADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000493888626 1077372179 /nfs/dbraw/zinc/37/21/79/1077372179.db2.gz OKFFLKPXHZRUCY-STQMWFEESA-N 1 0 407.583 0.651 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000493888660 1077372145 /nfs/dbraw/zinc/37/21/45/1077372145.db2.gz OPJPWKMYRAAMHV-AZUAARDMSA-N 1 0 424.501 0.984 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000493888661 1077371985 /nfs/dbraw/zinc/37/19/85/1077371985.db2.gz OPJPWKMYRAAMHV-ICSRJNTNSA-N 1 0 424.501 0.984 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000493888662 1077372059 /nfs/dbraw/zinc/37/20/59/1077372059.db2.gz OPJPWKMYRAAMHV-QUCCMNQESA-N 1 0 424.501 0.984 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000493888663 1077372204 /nfs/dbraw/zinc/37/22/04/1077372204.db2.gz OPJPWKMYRAAMHV-UYAOXDASSA-N 1 0 424.501 0.984 20 0 HCADRO C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000493894896 1077374614 /nfs/dbraw/zinc/37/46/14/1077374614.db2.gz RXUSURZOGDVHDT-AWEZNQCLSA-N 1 0 403.483 0.820 20 0 HCADRO C[C@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000493894897 1077375037 /nfs/dbraw/zinc/37/50/37/1077375037.db2.gz RXUSURZOGDVHDT-CQSZACIVSA-N 1 0 403.483 0.820 20 0 HCADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000493895871 1077375335 /nfs/dbraw/zinc/37/53/35/1077375335.db2.gz AVYNEHUGIXVRPN-UHFFFAOYSA-N 1 0 417.553 0.922 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000493895997 1077374966 /nfs/dbraw/zinc/37/49/66/1077374966.db2.gz CDMASZIBVZKEHM-KRWDZBQOSA-N 1 0 404.511 0.746 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000493895998 1077374838 /nfs/dbraw/zinc/37/48/38/1077374838.db2.gz CDMASZIBVZKEHM-QGZVFWFLSA-N 1 0 404.511 0.746 20 0 HCADRO COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000493901395 1077376118 /nfs/dbraw/zinc/37/61/18/1077376118.db2.gz UBTVHFDJLOPTRX-UHFFFAOYSA-N 1 0 415.487 0.691 20 0 HCADRO O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493903191 1077376128 /nfs/dbraw/zinc/37/61/28/1077376128.db2.gz JOCCDDDVXVRTMP-AOIWGVFYSA-N 1 0 409.600 0.952 20 0 HCADRO O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493903193 1077376219 /nfs/dbraw/zinc/37/62/19/1077376219.db2.gz JOCCDDDVXVRTMP-LMMKCTJWSA-N 1 0 409.600 0.952 20 0 HCADRO O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493903195 1077376159 /nfs/dbraw/zinc/37/61/59/1077376159.db2.gz JOCCDDDVXVRTMP-ZHALLVOQSA-N 1 0 409.600 0.952 20 0 HCADRO COCCOCC(=O)NC1CCC(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000493903434 1077376422 /nfs/dbraw/zinc/37/64/22/1077376422.db2.gz OGFIFMQVHPESOV-UHFFFAOYSA-N 1 0 424.586 0.564 20 0 HCADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000493905269 1077372638 /nfs/dbraw/zinc/37/26/38/1077372638.db2.gz SCDCZZQUESQRTC-CVEARBPZSA-N 1 0 402.561 0.791 20 0 HCADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000493905270 1077372656 /nfs/dbraw/zinc/37/26/56/1077372656.db2.gz SCDCZZQUESQRTC-HOTGVXAUSA-N 1 0 402.561 0.791 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000493905271 1077372728 /nfs/dbraw/zinc/37/27/28/1077372728.db2.gz SCDCZZQUESQRTC-HZPDHXFCSA-N 1 0 402.561 0.791 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000493905272 1077372675 /nfs/dbraw/zinc/37/26/75/1077372675.db2.gz SCDCZZQUESQRTC-JKSUJKDBSA-N 1 0 402.561 0.791 20 0 HCADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(CC[NH+]3CCCC3)CC1)C2=O ZINC000493910443 1077373308 /nfs/dbraw/zinc/37/33/08/1077373308.db2.gz FAPCHDJZMUPHTE-DYESRHJHSA-N 1 0 405.543 0.727 20 0 HCADRO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(CC[NH+]3CCCC3)CC1)C2=O ZINC000493910444 1077373251 /nfs/dbraw/zinc/37/32/51/1077373251.db2.gz FAPCHDJZMUPHTE-LAUBAEHRSA-N 1 0 405.543 0.727 20 0 HCADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(CC[NH+]3CCCC3)CC1)C2=O ZINC000493910445 1077373186 /nfs/dbraw/zinc/37/31/86/1077373186.db2.gz FAPCHDJZMUPHTE-UTKZUKDTSA-N 1 0 405.543 0.727 20 0 HCADRO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(CC[NH+]3CCCC3)CC1)C2=O ZINC000493910446 1077373230 /nfs/dbraw/zinc/37/32/30/1077373230.db2.gz FAPCHDJZMUPHTE-UWJYYQICSA-N 1 0 405.543 0.727 20 0 HCADRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493910835 1077373269 /nfs/dbraw/zinc/37/32/69/1077373269.db2.gz JOCCDDDVXVRTMP-LNLFQRSKSA-N 1 0 409.600 0.952 20 0 HCADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000493911183 1077373301 /nfs/dbraw/zinc/37/33/01/1077373301.db2.gz FBTSVFRRPNQRRH-PKOBYXMFSA-N 1 0 407.536 0.972 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000493911424 1077373336 /nfs/dbraw/zinc/37/33/36/1077373336.db2.gz PGZBUKHRRXJRMD-IBGZPJMESA-N 1 0 422.551 0.308 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000493911425 1077373198 /nfs/dbraw/zinc/37/31/98/1077373198.db2.gz PGZBUKHRRXJRMD-LJQANCHMSA-N 1 0 422.551 0.308 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493919963 1077380269 /nfs/dbraw/zinc/38/02/69/1077380269.db2.gz LHWCCBLAIYHYSR-HNNXBMFYSA-N 1 0 413.544 0.198 20 0 HCADRO COc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1S(=O)(=O)N(C)C ZINC000493921051 1077380567 /nfs/dbraw/zinc/38/05/67/1077380567.db2.gz UKLCIVLIPNNSJO-UHFFFAOYSA-N 1 0 424.567 0.799 20 0 HCADRO Cn1nccc1[C@@H]1[C@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC(=O)N1C ZINC000493921181 1077380630 /nfs/dbraw/zinc/38/06/30/1077380630.db2.gz VITFITKSTAWIFD-BEFAXECRSA-N 1 0 400.483 0.591 20 0 HCADRO Cn1nccc1[C@H]1[C@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC(=O)N1C ZINC000493921182 1077380590 /nfs/dbraw/zinc/38/05/90/1077380590.db2.gz VITFITKSTAWIFD-DNVCBOLYSA-N 1 0 400.483 0.591 20 0 HCADRO Cn1nccc1[C@H]1[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC(=O)N1C ZINC000493921183 1077380483 /nfs/dbraw/zinc/38/04/83/1077380483.db2.gz VITFITKSTAWIFD-HNAYVOBHSA-N 1 0 400.483 0.591 20 0 HCADRO Cn1nccc1[C@@H]1[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC(=O)N1C ZINC000493921184 1077380452 /nfs/dbraw/zinc/38/04/52/1077380452.db2.gz VITFITKSTAWIFD-KXBFYZLASA-N 1 0 400.483 0.591 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000493923880 1077376741 /nfs/dbraw/zinc/37/67/41/1077376741.db2.gz FQILRFPHDHGPEC-FXAWDEMLSA-N 1 0 410.465 0.617 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000493923883 1077376801 /nfs/dbraw/zinc/37/68/01/1077376801.db2.gz FQILRFPHDHGPEC-PXNSSMCTSA-N 1 0 410.465 0.617 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000493923884 1077376857 /nfs/dbraw/zinc/37/68/57/1077376857.db2.gz FQILRFPHDHGPEC-XLIONFOSSA-N 1 0 410.465 0.617 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000493923885 1077376709 /nfs/dbraw/zinc/37/67/09/1077376709.db2.gz FQILRFPHDHGPEC-YLJYHZDGSA-N 1 0 410.465 0.617 20 0 HCADRO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(CC[NH+]3CCCC3)CC1)C2=O ZINC000493926798 1077377388 /nfs/dbraw/zinc/37/73/88/1077377388.db2.gz HEWWFHOOQJFJCR-UHFFFAOYSA-N 1 0 405.543 0.727 20 0 HCADRO CN1C(=O)N(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)C(=O)C12CCCCC2 ZINC000493931474 1077377967 /nfs/dbraw/zinc/37/79/67/1077377967.db2.gz AWCASIIKLMQIFM-UHFFFAOYSA-N 1 0 405.543 0.823 20 0 HCADRO CC(=O)NCC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000493932059 1077377898 /nfs/dbraw/zinc/37/78/98/1077377898.db2.gz JESNYYLDRZLQDJ-UHFFFAOYSA-N 1 0 414.428 0.992 20 0 HCADRO CN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)(C)C[NH+]1CCCCCC1 ZINC000493932479 1077378271 /nfs/dbraw/zinc/37/82/71/1077378271.db2.gz BVOGLTSMSFEXIP-UHFFFAOYSA-N 1 0 418.542 0.937 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000493933746 1077378341 /nfs/dbraw/zinc/37/83/41/1077378341.db2.gz TWHHATZTZSFMJF-UHFFFAOYSA-N 1 0 408.568 0.903 20 0 HCADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)s1 ZINC000493934405 1077378263 /nfs/dbraw/zinc/37/82/63/1077378263.db2.gz YIAAXKWECKDQGG-UHFFFAOYSA-N 1 0 414.597 0.693 20 0 HCADRO O=C(c1nc2ncc(Br)cn2n1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493934760 1077378282 /nfs/dbraw/zinc/37/82/82/1077378282.db2.gz ZYCWERAXJWNWNG-UHFFFAOYSA-N 1 0 408.304 0.740 20 0 HCADRO CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)(C)C[NH+]1CCCCCC1 ZINC000493936221 1077378549 /nfs/dbraw/zinc/37/85/49/1077378549.db2.gz KFHYTJXIPFGAEN-UHFFFAOYSA-N 1 0 404.515 0.547 20 0 HCADRO COC(=O)c1ccccc1CS(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000493936983 1077378531 /nfs/dbraw/zinc/37/85/31/1077378531.db2.gz MEGMWKOPTYTIEO-UHFFFAOYSA-N 1 0 411.524 0.693 20 0 HCADRO COc1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc(OC)c1OCC(N)=O ZINC000493938682 1077378689 /nfs/dbraw/zinc/37/86/89/1077378689.db2.gz BISCDEXGGWJXOU-UHFFFAOYSA-N 1 0 420.510 0.422 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000493938814 1077378643 /nfs/dbraw/zinc/37/86/43/1077378643.db2.gz FZMWDUWRUFIOTO-KSZLIROESA-N 1 0 405.520 0.413 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000493938815 1077378568 /nfs/dbraw/zinc/37/85/68/1077378568.db2.gz FZMWDUWRUFIOTO-KURKYZTESA-N 1 0 405.520 0.413 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000493938816 1077378504 /nfs/dbraw/zinc/37/85/04/1077378504.db2.gz FZMWDUWRUFIOTO-KZNAEPCWSA-N 1 0 405.520 0.413 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000493938817 1077378603 /nfs/dbraw/zinc/37/86/03/1077378603.db2.gz FZMWDUWRUFIOTO-RCCFBDPRSA-N 1 0 405.520 0.413 20 0 HCADRO CCOC(=O)c1cnn2c1nccc2C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000493946851 1077379934 /nfs/dbraw/zinc/37/99/34/1077379934.db2.gz MKNXIMMNTDBUAP-HNNXBMFYSA-N 1 0 414.466 0.285 20 0 HCADRO CCOC(=O)c1cnn2c1nccc2C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000493946852 1077379862 /nfs/dbraw/zinc/37/98/62/1077379862.db2.gz MKNXIMMNTDBUAP-OAHLLOKOSA-N 1 0 414.466 0.285 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)ccc1OC ZINC000493947258 1077379851 /nfs/dbraw/zinc/37/98/51/1077379851.db2.gz TZDJAVHJLAVKPN-UHFFFAOYSA-N 1 0 410.540 0.457 20 0 HCADRO C[C@@]1(C[C@H]2CCCN2C(=O)NCC2([NH+]3CCCC3)CCOCC2)NC(=O)NC1=O ZINC000493950748 1077381113 /nfs/dbraw/zinc/38/11/13/1077381113.db2.gz SFRQOEIJQGVYOA-BEFAXECRSA-N 1 0 407.515 0.794 20 0 HCADRO C[C@]1(C[C@H]2CCCN2C(=O)NCC2([NH+]3CCCC3)CCOCC2)NC(=O)NC1=O ZINC000493950749 1077381207 /nfs/dbraw/zinc/38/12/07/1077381207.db2.gz SFRQOEIJQGVYOA-DNVCBOLYSA-N 1 0 407.515 0.794 20 0 HCADRO C[C@]1(C[C@@H]2CCCN2C(=O)NCC2([NH+]3CCCC3)CCOCC2)NC(=O)NC1=O ZINC000493950750 1077381191 /nfs/dbraw/zinc/38/11/91/1077381191.db2.gz SFRQOEIJQGVYOA-HNAYVOBHSA-N 1 0 407.515 0.794 20 0 HCADRO C[C@@]1(C[C@@H]2CCCN2C(=O)NCC2([NH+]3CCCC3)CCOCC2)NC(=O)NC1=O ZINC000493950751 1077381130 /nfs/dbraw/zinc/38/11/30/1077381130.db2.gz SFRQOEIJQGVYOA-KXBFYZLASA-N 1 0 407.515 0.794 20 0 HCADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCCCN1C(=O)CCC1=O ZINC000493950976 1077381046 /nfs/dbraw/zinc/38/10/46/1077381046.db2.gz VKKLLJGOTGWSQW-UHFFFAOYSA-N 1 0 415.538 0.985 20 0 HCADRO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493954223 1077381734 /nfs/dbraw/zinc/38/17/34/1077381734.db2.gz CNXHGZNNNYEJPY-INIZCTEOSA-N 1 0 412.531 0.733 20 0 HCADRO Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nn1-c1nc(C)cc(C)n1 ZINC000493954438 1077381772 /nfs/dbraw/zinc/38/17/72/1077381772.db2.gz FXUCCUBCGZXLLU-GOSISDBHSA-N 1 0 411.510 0.966 20 0 HCADRO Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1-c1nc(C)cc(C)n1 ZINC000493954439 1077381646 /nfs/dbraw/zinc/38/16/46/1077381646.db2.gz FXUCCUBCGZXLLU-SFHVURJKSA-N 1 0 411.510 0.966 20 0 HCADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000493960416 1077382357 /nfs/dbraw/zinc/38/23/57/1077382357.db2.gz LVPCJRNQEFVLAA-LQBHMHGISA-N 1 0 408.405 0.635 20 0 HCADRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000493960421 1077382284 /nfs/dbraw/zinc/38/22/84/1077382284.db2.gz LVPCJRNQEFVLAA-LUFJJVMOSA-N 1 0 408.405 0.635 20 0 HCADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000493960423 1077382310 /nfs/dbraw/zinc/38/23/10/1077382310.db2.gz LVPCJRNQEFVLAA-UOWOHEGISA-N 1 0 408.405 0.635 20 0 HCADRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000493960425 1077382236 /nfs/dbraw/zinc/38/22/36/1077382236.db2.gz LVPCJRNQEFVLAA-VAHXTSCQSA-N 1 0 408.405 0.635 20 0 HCADRO COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000493962370 1077382405 /nfs/dbraw/zinc/38/24/05/1077382405.db2.gz YZHOWGDZOMIKIQ-UHFFFAOYSA-N 1 0 424.567 0.465 20 0 HCADRO CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000493966480 1077383092 /nfs/dbraw/zinc/38/30/92/1077383092.db2.gz IPUHKOAJEGOMPY-FQEVSTJZSA-N 1 0 415.538 0.558 20 0 HCADRO CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000493966481 1077382951 /nfs/dbraw/zinc/38/29/51/1077382951.db2.gz IPUHKOAJEGOMPY-HXUWFJFHSA-N 1 0 415.538 0.558 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000493966621 1077383005 /nfs/dbraw/zinc/38/30/05/1077383005.db2.gz BMOKWYYRYFANDT-HNNXBMFYSA-N 1 0 412.512 0.106 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000493966622 1077383043 /nfs/dbraw/zinc/38/30/43/1077383043.db2.gz BMOKWYYRYFANDT-OAHLLOKOSA-N 1 0 412.512 0.106 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000493968297 1077383230 /nfs/dbraw/zinc/38/32/30/1077383230.db2.gz JUXPDZUVJYPQLF-KRWDZBQOSA-N 1 0 404.511 0.746 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000493968302 1077383347 /nfs/dbraw/zinc/38/33/47/1077383347.db2.gz JUXPDZUVJYPQLF-QGZVFWFLSA-N 1 0 404.511 0.746 20 0 HCADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000493970995 1077383695 /nfs/dbraw/zinc/38/36/95/1077383695.db2.gz IWVJGGYJNBFRAJ-UHFFFAOYSA-N 1 0 400.476 0.845 20 0 HCADRO COCCS(=O)(=O)c1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000493972874 1077384303 /nfs/dbraw/zinc/38/43/03/1077384303.db2.gz CPCRIMIQFOMYHN-UHFFFAOYSA-N 1 0 409.552 0.960 20 0 HCADRO CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)(C)C[NH+]1CCCCCC1 ZINC000494006783 1077391482 /nfs/dbraw/zinc/39/14/82/1077391482.db2.gz LNFPWCVNIUVWSD-UHFFFAOYSA-N 1 0 404.515 0.547 20 0 HCADRO C[NH+]1CCN(c2cccc(C(=O)N3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)n2)CC1 ZINC000494008952 1077391638 /nfs/dbraw/zinc/39/16/38/1077391638.db2.gz YUBIPHSAFUHPQN-INIZCTEOSA-N 1 0 421.567 0.767 20 0 HCADRO C[NH+]1CCN(c2cccc(C(=O)N3CCC[C@H](CNS(=O)(=O)C4CC4)C3)n2)CC1 ZINC000494008953 1077391782 /nfs/dbraw/zinc/39/17/82/1077391782.db2.gz YUBIPHSAFUHPQN-MRXNPFEDSA-N 1 0 421.567 0.767 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000494014783 1077388337 /nfs/dbraw/zinc/38/83/37/1077388337.db2.gz DWHVKJVCTUXXJY-GOSISDBHSA-N 1 0 422.551 0.804 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000494014784 1077388367 /nfs/dbraw/zinc/38/83/67/1077388367.db2.gz DWHVKJVCTUXXJY-SFHVURJKSA-N 1 0 422.551 0.804 20 0 HCADRO C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000494019303 1077388959 /nfs/dbraw/zinc/38/89/59/1077388959.db2.gz STWWTYXHKYTBEH-BBRMVZONSA-N 1 0 419.507 0.171 20 0 HCADRO C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000494019304 1077388935 /nfs/dbraw/zinc/38/89/35/1077388935.db2.gz STWWTYXHKYTBEH-CJNGLKHVSA-N 1 0 419.507 0.171 20 0 HCADRO C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000494019305 1077389026 /nfs/dbraw/zinc/38/90/26/1077389026.db2.gz STWWTYXHKYTBEH-CZUORRHYSA-N 1 0 419.507 0.171 20 0 HCADRO C[C@H]1[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000494019306 1077389053 /nfs/dbraw/zinc/38/90/53/1077389053.db2.gz STWWTYXHKYTBEH-XJKSGUPXSA-N 1 0 419.507 0.171 20 0 HCADRO C[C@H]1[C@H](NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC[N@@H+]1Cc1ccccc1 ZINC000494020057 1077389319 /nfs/dbraw/zinc/38/93/19/1077389319.db2.gz XETIOIMPFKGBQP-DZGCQCFKSA-N 1 0 420.491 0.436 20 0 HCADRO C[C@@H]1[C@@H](NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC[N@@H+]1Cc1ccccc1 ZINC000494020058 1077389393 /nfs/dbraw/zinc/38/93/93/1077389393.db2.gz XETIOIMPFKGBQP-HIFRSBDPSA-N 1 0 420.491 0.436 20 0 HCADRO C[C@@H]1[C@H](NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC[N@@H+]1Cc1ccccc1 ZINC000494020059 1077389219 /nfs/dbraw/zinc/38/92/19/1077389219.db2.gz XETIOIMPFKGBQP-UKRRQHHQSA-N 1 0 420.491 0.436 20 0 HCADRO C[C@H]1[C@@H](NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC[N@@H+]1Cc1ccccc1 ZINC000494020060 1077389358 /nfs/dbraw/zinc/38/93/58/1077389358.db2.gz XETIOIMPFKGBQP-ZFWWWQNUSA-N 1 0 420.491 0.436 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCN3CCCS3(=O)=O)CC2)cc1 ZINC000494020891 1077389289 /nfs/dbraw/zinc/38/92/89/1077389289.db2.gz PRVMFGCFUQKWGV-UHFFFAOYSA-N 1 0 417.553 0.473 20 0 HCADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000494036392 1077391120 /nfs/dbraw/zinc/39/11/20/1077391120.db2.gz FBAWYOMIOKZJSV-INIZCTEOSA-N 1 0 423.539 0.879 20 0 HCADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000494036395 1077391135 /nfs/dbraw/zinc/39/11/35/1077391135.db2.gz FBAWYOMIOKZJSV-MRXNPFEDSA-N 1 0 423.539 0.879 20 0 HCADRO C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)ccn2)CC1 ZINC000494036466 1077391451 /nfs/dbraw/zinc/39/14/51/1077391451.db2.gz FJPDTDULEYELBT-INIZCTEOSA-N 1 0 421.567 0.767 20 0 HCADRO C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H](CNS(=O)(=O)C4CC4)C3)ccn2)CC1 ZINC000494036467 1077391395 /nfs/dbraw/zinc/39/13/95/1077391395.db2.gz FJPDTDULEYELBT-MRXNPFEDSA-N 1 0 421.567 0.767 20 0 HCADRO C[C@@H]1[C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000494037851 1077395390 /nfs/dbraw/zinc/39/53/90/1077395390.db2.gz LVYNMKPCHFQBNR-GDBMZVCRSA-N 1 0 410.478 0.213 20 0 HCADRO C[C@H]1[C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000494037852 1077395334 /nfs/dbraw/zinc/39/53/34/1077395334.db2.gz LVYNMKPCHFQBNR-GOEBONIOSA-N 1 0 410.478 0.213 20 0 HCADRO C[C@H]1[C@@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000494037853 1077395156 /nfs/dbraw/zinc/39/51/56/1077395156.db2.gz LVYNMKPCHFQBNR-HOCLYGCPSA-N 1 0 410.478 0.213 20 0 HCADRO C[C@@H]1[C@@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000494037854 1077395209 /nfs/dbraw/zinc/39/52/09/1077395209.db2.gz LVYNMKPCHFQBNR-ZBFHGGJFSA-N 1 0 410.478 0.213 20 0 HCADRO C[C@@H]1[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000494045618 1077392037 /nfs/dbraw/zinc/39/20/37/1077392037.db2.gz BIRCVBGGMUOHBL-GDBMZVCRSA-N 1 0 410.478 0.213 20 0 HCADRO C[C@H]1[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000494045619 1077392153 /nfs/dbraw/zinc/39/21/53/1077392153.db2.gz BIRCVBGGMUOHBL-GOEBONIOSA-N 1 0 410.478 0.213 20 0 HCADRO C[C@H]1[C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000494045620 1077392010 /nfs/dbraw/zinc/39/20/10/1077392010.db2.gz BIRCVBGGMUOHBL-HOCLYGCPSA-N 1 0 410.478 0.213 20 0 HCADRO C[C@@H]1[C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000494045621 1077392127 /nfs/dbraw/zinc/39/21/27/1077392127.db2.gz BIRCVBGGMUOHBL-ZBFHGGJFSA-N 1 0 410.478 0.213 20 0 HCADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000494047220 1077392088 /nfs/dbraw/zinc/39/20/88/1077392088.db2.gz HWNFEKYTTXEXIO-AEFFLSMTSA-N 1 0 424.567 0.600 20 0 HCADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000494047221 1077391930 /nfs/dbraw/zinc/39/19/30/1077391930.db2.gz HWNFEKYTTXEXIO-FUHWJXTLSA-N 1 0 424.567 0.600 20 0 HCADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000494047222 1077391962 /nfs/dbraw/zinc/39/19/62/1077391962.db2.gz HWNFEKYTTXEXIO-SJLPKXTDSA-N 1 0 424.567 0.600 20 0 HCADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000494047224 1077392378 /nfs/dbraw/zinc/39/23/78/1077392378.db2.gz HWNFEKYTTXEXIO-WMZOPIPTSA-N 1 0 424.567 0.600 20 0 HCADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H]1n1cccn1 ZINC000494074039 1077398765 /nfs/dbraw/zinc/39/87/65/1077398765.db2.gz UKSUXJLTZYMDBF-JZXOWHBKSA-N 1 0 415.498 0.820 20 0 HCADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H]1n1cccn1 ZINC000494074040 1077398851 /nfs/dbraw/zinc/39/88/51/1077398851.db2.gz UKSUXJLTZYMDBF-LZLYRXPVSA-N 1 0 415.498 0.820 20 0 HCADRO CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H]1n1cccn1 ZINC000494074041 1077398704 /nfs/dbraw/zinc/39/87/04/1077398704.db2.gz UKSUXJLTZYMDBF-NUJGCVRESA-N 1 0 415.498 0.820 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCS(=O)(=O)NC(C)C)CC2)cc1 ZINC000494075045 1077398669 /nfs/dbraw/zinc/39/86/69/1077398669.db2.gz KXZOLKUULSDSHM-UHFFFAOYSA-N 1 0 419.569 0.766 20 0 HCADRO C[C@@H]1[C@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[N@@H+]1Cc1ccccc1 ZINC000494076542 1077399000 /nfs/dbraw/zinc/39/90/00/1077399000.db2.gz BPVXFKDYQAUDME-CRAIPNDOSA-N 1 0 409.490 0.818 20 0 HCADRO C[C@H]1[C@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[N@@H+]1Cc1ccccc1 ZINC000494076543 1077399135 /nfs/dbraw/zinc/39/91/35/1077399135.db2.gz BPVXFKDYQAUDME-MAUKXSAKSA-N 1 0 409.490 0.818 20 0 HCADRO C[C@@H]1[C@@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[N@@H+]1Cc1ccccc1 ZINC000494076544 1077399177 /nfs/dbraw/zinc/39/91/77/1077399177.db2.gz BPVXFKDYQAUDME-QAPCUYQASA-N 1 0 409.490 0.818 20 0 HCADRO C[C@H]1[C@@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[N@@H+]1Cc1ccccc1 ZINC000494076545 1077398958 /nfs/dbraw/zinc/39/89/58/1077398958.db2.gz BPVXFKDYQAUDME-YJBOKZPZSA-N 1 0 409.490 0.818 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000494080511 1077399668 /nfs/dbraw/zinc/39/96/68/1077399668.db2.gz SUXNMSXFOCHLJM-HNNXBMFYSA-N 1 0 412.512 0.106 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000494080512 1077399744 /nfs/dbraw/zinc/39/97/44/1077399744.db2.gz SUXNMSXFOCHLJM-OAHLLOKOSA-N 1 0 412.512 0.106 20 0 HCADRO COCCNC(=O)Cn1cc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000494080542 1077399626 /nfs/dbraw/zinc/39/96/26/1077399626.db2.gz TXZQHXKKZNLNAV-MSOLQXFVSA-N 1 0 422.530 0.535 20 0 HCADRO COCCNC(=O)Cn1cc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000494080543 1077399702 /nfs/dbraw/zinc/39/97/02/1077399702.db2.gz TXZQHXKKZNLNAV-QZTJIDSGSA-N 1 0 422.530 0.535 20 0 HCADRO COCCNC(=O)Cn1cc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000494080544 1077399719 /nfs/dbraw/zinc/39/97/19/1077399719.db2.gz TXZQHXKKZNLNAV-ROUUACIJSA-N 1 0 422.530 0.535 20 0 HCADRO COCCNC(=O)Cn1cc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000494080545 1077399617 /nfs/dbraw/zinc/39/96/17/1077399617.db2.gz TXZQHXKKZNLNAV-ZWKOTPCHSA-N 1 0 422.530 0.535 20 0 HCADRO CC[NH+]1CCN(CCC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000494084061 1077400819 /nfs/dbraw/zinc/40/08/19/1077400819.db2.gz WCNGTTIEKCLQCG-NRFANRHFSA-N 1 0 413.566 0.964 20 0 HCADRO CC[NH+]1CCN(CCC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000494084062 1077400628 /nfs/dbraw/zinc/40/06/28/1077400628.db2.gz WCNGTTIEKCLQCG-OAQYLSRUSA-N 1 0 413.566 0.964 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000494087451 1077400766 /nfs/dbraw/zinc/40/07/66/1077400766.db2.gz GSMHUPDAYOCZQP-KRWDZBQOSA-N 1 0 413.540 0.789 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000494087452 1077400394 /nfs/dbraw/zinc/40/03/94/1077400394.db2.gz GSMHUPDAYOCZQP-QGZVFWFLSA-N 1 0 413.540 0.789 20 0 HCADRO COCCNC(=O)Cn1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000494090656 1077396251 /nfs/dbraw/zinc/39/62/51/1077396251.db2.gz SQFRNSGCJJHEKP-DLBZAZTESA-N 1 0 408.503 0.145 20 0 HCADRO COCCNC(=O)Cn1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000494090657 1077396384 /nfs/dbraw/zinc/39/63/84/1077396384.db2.gz SQFRNSGCJJHEKP-IAGOWNOFSA-N 1 0 408.503 0.145 20 0 HCADRO COCCNC(=O)Cn1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000494090658 1077396240 /nfs/dbraw/zinc/39/62/40/1077396240.db2.gz SQFRNSGCJJHEKP-IRXDYDNUSA-N 1 0 408.503 0.145 20 0 HCADRO COCCNC(=O)Cn1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000494090659 1077396314 /nfs/dbraw/zinc/39/63/14/1077396314.db2.gz SQFRNSGCJJHEKP-SJORKVTESA-N 1 0 408.503 0.145 20 0 HCADRO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1=O ZINC000494100103 1077397692 /nfs/dbraw/zinc/39/76/92/1077397692.db2.gz VXXJWANTPZFSGQ-ATZDWAIDSA-N 1 0 413.522 0.498 20 0 HCADRO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1=O ZINC000494100104 1077397655 /nfs/dbraw/zinc/39/76/55/1077397655.db2.gz VXXJWANTPZFSGQ-AYOQOUSVSA-N 1 0 413.522 0.498 20 0 HCADRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1=O ZINC000494100105 1077397570 /nfs/dbraw/zinc/39/75/70/1077397570.db2.gz VXXJWANTPZFSGQ-LZQZEXGQSA-N 1 0 413.522 0.498 20 0 HCADRO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1=O ZINC000494100106 1077397637 /nfs/dbraw/zinc/39/76/37/1077397637.db2.gz VXXJWANTPZFSGQ-MNEFBYGVSA-N 1 0 413.522 0.498 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)c2)CC1 ZINC000494104644 1077407667 /nfs/dbraw/zinc/40/76/67/1077407667.db2.gz FBARVKODVIAVCL-GOSISDBHSA-N 1 0 415.538 0.888 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)c2)CC1 ZINC000494104645 1077407353 /nfs/dbraw/zinc/40/73/53/1077407353.db2.gz FBARVKODVIAVCL-SFHVURJKSA-N 1 0 415.538 0.888 20 0 HCADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000494110050 1077401872 /nfs/dbraw/zinc/40/18/72/1077401872.db2.gz YGZPMDOJJDJSHH-UHFFFAOYSA-N 1 0 404.492 0.542 20 0 HCADRO O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCC[NH+]1CCCC1 ZINC000494115523 1077403038 /nfs/dbraw/zinc/40/30/38/1077403038.db2.gz IPXWXBWBKUZFGA-UHFFFAOYSA-N 1 0 401.554 0.914 20 0 HCADRO O=C(Nc1cnn(CC(=O)N2CCOCC2)c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000494117823 1077404164 /nfs/dbraw/zinc/40/41/64/1077404164.db2.gz XIVYGFRVABNKNY-MSOLQXFVSA-N 1 0 420.514 0.241 20 0 HCADRO O=C(Cn1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1)N1CCOCC1 ZINC000494117824 1077404338 /nfs/dbraw/zinc/40/43/38/1077404338.db2.gz XIVYGFRVABNKNY-QZTJIDSGSA-N 1 0 420.514 0.241 20 0 HCADRO O=C(Cn1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1)N1CCOCC1 ZINC000494117825 1077404433 /nfs/dbraw/zinc/40/44/33/1077404433.db2.gz XIVYGFRVABNKNY-ROUUACIJSA-N 1 0 420.514 0.241 20 0 HCADRO O=C(Nc1cnn(CC(=O)N2CCOCC2)c1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000494117826 1077404367 /nfs/dbraw/zinc/40/43/67/1077404367.db2.gz XIVYGFRVABNKNY-ZWKOTPCHSA-N 1 0 420.514 0.241 20 0 HCADRO CC(C)[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000494128451 1077415801 /nfs/dbraw/zinc/41/58/01/1077415801.db2.gz XRTQZXJMPCMLEW-UHFFFAOYSA-N 1 0 408.524 0.410 20 0 HCADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000494131636 1077417088 /nfs/dbraw/zinc/41/70/88/1077417088.db2.gz VCUAZZHXTFQAPK-PDOICOKGSA-N 1 0 402.543 0.424 20 0 HCADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000494131637 1077417434 /nfs/dbraw/zinc/41/74/34/1077417434.db2.gz VCUAZZHXTFQAPK-VIPLHTEESA-N 1 0 402.543 0.424 20 0 HCADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000494131638 1077417282 /nfs/dbraw/zinc/41/72/82/1077417282.db2.gz VCUAZZHXTFQAPK-WOCWXWTJSA-N 1 0 402.543 0.424 20 0 HCADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000494131639 1077417538 /nfs/dbraw/zinc/41/75/38/1077417538.db2.gz VCUAZZHXTFQAPK-WWNBULGVSA-N 1 0 402.543 0.424 20 0 HCADRO CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000494133631 1077408722 /nfs/dbraw/zinc/40/87/22/1077408722.db2.gz CKJOUXNAEXDARK-HKUYNNGSSA-N 1 0 414.510 0.976 20 0 HCADRO CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000494133632 1077408946 /nfs/dbraw/zinc/40/89/46/1077408946.db2.gz CKJOUXNAEXDARK-IEBWSBKVSA-N 1 0 414.510 0.976 20 0 HCADRO CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000494133633 1077409259 /nfs/dbraw/zinc/40/92/59/1077409259.db2.gz CKJOUXNAEXDARK-MJGOQNOKSA-N 1 0 414.510 0.976 20 0 HCADRO CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000494133634 1077409158 /nfs/dbraw/zinc/40/91/58/1077409158.db2.gz CKJOUXNAEXDARK-PKOBYXMFSA-N 1 0 414.510 0.976 20 0 HCADRO CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000494137210 1077410887 /nfs/dbraw/zinc/41/08/87/1077410887.db2.gz PAODRYCQKNUMPS-HKUYNNGSSA-N 1 0 414.510 0.976 20 0 HCADRO CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000494137211 1077410588 /nfs/dbraw/zinc/41/05/88/1077410588.db2.gz PAODRYCQKNUMPS-IEBWSBKVSA-N 1 0 414.510 0.976 20 0 HCADRO CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000494137212 1077410421 /nfs/dbraw/zinc/41/04/21/1077410421.db2.gz PAODRYCQKNUMPS-MJGOQNOKSA-N 1 0 414.510 0.976 20 0 HCADRO CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000494137213 1077410734 /nfs/dbraw/zinc/41/07/34/1077410734.db2.gz PAODRYCQKNUMPS-PKOBYXMFSA-N 1 0 414.510 0.976 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCS[C@H](C)CC2)CC1 ZINC000494145654 1077413509 /nfs/dbraw/zinc/41/35/09/1077413509.db2.gz OXDIOVIOYJEPLY-CYBMUJFWSA-N 1 0 416.569 0.952 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCS[C@@H](C)CC2)CC1 ZINC000494145655 1077413709 /nfs/dbraw/zinc/41/37/09/1077413709.db2.gz OXDIOVIOYJEPLY-ZDUSSCGKSA-N 1 0 416.569 0.952 20 0 HCADRO NS(=O)(=O)c1cc(F)cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000494151702 1077414838 /nfs/dbraw/zinc/41/48/38/1077414838.db2.gz 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1 0 411.499 0.580 20 0 HCADRO O=C(Nc1ccn(CCN2CCOCC2)n1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000494176695 1077421454 /nfs/dbraw/zinc/42/14/54/1077421454.db2.gz RDDKMJLWGXEHLS-QZTJIDSGSA-N 1 0 406.531 0.715 20 0 HCADRO O=C(Nc1ccn(CCN2CCOCC2)n1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000494176696 1077421560 /nfs/dbraw/zinc/42/15/60/1077421560.db2.gz RDDKMJLWGXEHLS-ROUUACIJSA-N 1 0 406.531 0.715 20 0 HCADRO O=C(Nc1ccn(CCN2CCOCC2)n1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000494176697 1077421910 /nfs/dbraw/zinc/42/19/10/1077421910.db2.gz RDDKMJLWGXEHLS-ZWKOTPCHSA-N 1 0 406.531 0.715 20 0 HCADRO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NC[C@@H]3CN(C4CC4)CCO3)no2)cn1 ZINC000494187651 1077434174 /nfs/dbraw/zinc/43/41/74/1077434174.db2.gz CUPYUUZEFNFRIL-CVEARBPZSA-N 1 0 417.470 0.416 20 0 HCADRO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NC[C@H]3CN(C4CC4)CCO3)no2)cn1 ZINC000494187652 1077434089 /nfs/dbraw/zinc/43/40/89/1077434089.db2.gz CUPYUUZEFNFRIL-HOTGVXAUSA-N 1 0 417.470 0.416 20 0 HCADRO 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ZINC000494201123 1077441021 /nfs/dbraw/zinc/44/10/21/1077441021.db2.gz JWFUJWVZVGBQRV-KRWDZBQOSA-N 1 0 404.467 0.503 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000494201124 1077441090 /nfs/dbraw/zinc/44/10/90/1077441090.db2.gz JWFUJWVZVGBQRV-QGZVFWFLSA-N 1 0 404.467 0.503 20 0 HCADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000494201814 1077441601 /nfs/dbraw/zinc/44/16/01/1077441601.db2.gz OYSOMGVXNQJBJH-LSDHHAIUSA-N 1 0 405.499 0.802 20 0 HCADRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494203211 1077441794 /nfs/dbraw/zinc/44/17/94/1077441794.db2.gz AYCLXQPTDPODOM-BEFAXECRSA-N 1 0 411.524 0.481 20 0 HCADRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494203212 1077441677 /nfs/dbraw/zinc/44/16/77/1077441677.db2.gz AYCLXQPTDPODOM-DNVCBOLYSA-N 1 0 411.524 0.481 20 0 HCADRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494203213 1077441594 /nfs/dbraw/zinc/44/15/94/1077441594.db2.gz AYCLXQPTDPODOM-HNAYVOBHSA-N 1 0 411.524 0.481 20 0 HCADRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494203214 1077441589 /nfs/dbraw/zinc/44/15/89/1077441589.db2.gz AYCLXQPTDPODOM-KXBFYZLASA-N 1 0 411.524 0.481 20 0 HCADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3CN(C4CC4)CCO3)CC2)C1 ZINC000494203684 1077442327 /nfs/dbraw/zinc/44/23/27/1077442327.db2.gz FCBLSNWWVARZRS-PMACEKPBSA-N 1 0 409.575 0.286 20 0 HCADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3CN(C4CC4)CCO3)CC2)C1 ZINC000494203685 1077442517 /nfs/dbraw/zinc/44/25/17/1077442517.db2.gz FCBLSNWWVARZRS-UXHICEINSA-N 1 0 409.575 0.286 20 0 HCADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3CN(C4CC4)CCO3)CC2)C1 ZINC000494203686 1077442832 /nfs/dbraw/zinc/44/28/32/1077442832.db2.gz FCBLSNWWVARZRS-VQTJNVASSA-N 1 0 409.575 0.286 20 0 HCADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3CN(C4CC4)CCO3)CC2)C1 ZINC000494203687 1077442427 /nfs/dbraw/zinc/44/24/27/1077442427.db2.gz FCBLSNWWVARZRS-WOJBJXKFSA-N 1 0 409.575 0.286 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(OCC[NH+](C)C)c1 ZINC000494206252 1077427688 /nfs/dbraw/zinc/42/76/88/1077427688.db2.gz WBVFAKFKLOLSSX-BFYDXBDKSA-N 1 0 402.495 0.999 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(OCC[NH+](C)C)c1 ZINC000494206253 1077428187 /nfs/dbraw/zinc/42/81/87/1077428187.db2.gz WBVFAKFKLOLSSX-INMHGKMJSA-N 1 0 402.495 0.999 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(OCC[NH+](C)C)c1 ZINC000494206254 1077428145 /nfs/dbraw/zinc/42/81/45/1077428145.db2.gz WBVFAKFKLOLSSX-UXLLHSPISA-N 1 0 402.495 0.999 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(OCC[NH+](C)C)c1 ZINC000494206255 1077427793 /nfs/dbraw/zinc/42/77/93/1077427793.db2.gz WBVFAKFKLOLSSX-ZMSDIMECSA-N 1 0 402.495 0.999 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN(C4CC4)CCO3)CC2)cc1 ZINC000494207215 1077429062 /nfs/dbraw/zinc/42/90/62/1077429062.db2.gz BZDGXELISYCPMO-GOSISDBHSA-N 1 0 422.551 0.874 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CN(C4CC4)CCO3)CC2)cc1 ZINC000494207216 1077428842 /nfs/dbraw/zinc/42/88/42/1077428842.db2.gz BZDGXELISYCPMO-SFHVURJKSA-N 1 0 422.551 0.874 20 0 HCADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000494208512 1077429157 /nfs/dbraw/zinc/42/91/57/1077429157.db2.gz LRDYPOFERYZSKD-CRAIPNDOSA-N 1 0 416.588 0.941 20 0 HCADRO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000494208513 1077428627 /nfs/dbraw/zinc/42/86/27/1077428627.db2.gz LRDYPOFERYZSKD-MAUKXSAKSA-N 1 0 416.588 0.941 20 0 HCADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000494213239 1077431621 /nfs/dbraw/zinc/43/16/21/1077431621.db2.gz RWOBWSTVNPTPCP-CABCVRRESA-N 1 0 408.524 0.473 20 0 HCADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000494213240 1077431628 /nfs/dbraw/zinc/43/16/28/1077431628.db2.gz RWOBWSTVNPTPCP-GJZGRUSLSA-N 1 0 408.524 0.473 20 0 HCADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000494213241 1077431478 /nfs/dbraw/zinc/43/14/78/1077431478.db2.gz RWOBWSTVNPTPCP-HUUCEWRRSA-N 1 0 408.524 0.473 20 0 HCADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000494213242 1077431260 /nfs/dbraw/zinc/43/12/60/1077431260.db2.gz RWOBWSTVNPTPCP-LSDHHAIUSA-N 1 0 408.524 0.473 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000494218045 1077433411 /nfs/dbraw/zinc/43/34/11/1077433411.db2.gz ZNZUEMWGXVYGTG-GFCCVEGCSA-N 1 0 402.542 0.790 20 0 HCADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000494218283 1077433630 /nfs/dbraw/zinc/43/36/30/1077433630.db2.gz BCVXUNVMZGXCMX-LSDHHAIUSA-N 1 0 420.514 0.089 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)NCc3ncccc3S(C)(=O)=O)ccn2)CC1 ZINC000494218859 1077434324 /nfs/dbraw/zinc/43/43/24/1077434324.db2.gz FVGIFCZLUUYCNL-UHFFFAOYSA-N 1 0 418.523 0.631 20 0 HCADRO CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000494219216 1077434265 /nfs/dbraw/zinc/43/42/65/1077434265.db2.gz IFSXGJUUKJGVOA-RYQLBKOJSA-N 1 0 408.522 0.837 20 0 HCADRO CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000494219217 1077434662 /nfs/dbraw/zinc/43/46/62/1077434662.db2.gz IFSXGJUUKJGVOA-SZMVWBNQSA-N 1 0 408.522 0.837 20 0 HCADRO Cc1nc2cncc(N3CCN(C(=O)NC[C@H]4CN(C5CC5)CCO4)CC3)n2n1 ZINC000494219258 1077434632 /nfs/dbraw/zinc/43/46/32/1077434632.db2.gz ILUOJUQEGYCBTC-INIZCTEOSA-N 1 0 400.487 0.128 20 0 HCADRO Cc1nc2cncc(N3CCN(C(=O)NC[C@@H]4CN(C5CC5)CCO4)CC3)n2n1 ZINC000494219259 1077434202 /nfs/dbraw/zinc/43/42/02/1077434202.db2.gz ILUOJUQEGYCBTC-MRXNPFEDSA-N 1 0 400.487 0.128 20 0 HCADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000494219481 1077433688 /nfs/dbraw/zinc/43/36/88/1077433688.db2.gz JSVJAYARVXXRPG-INIZCTEOSA-N 1 0 410.540 0.860 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000494219482 1077433332 /nfs/dbraw/zinc/43/33/32/1077433332.db2.gz JSVJAYARVXXRPG-MRXNPFEDSA-N 1 0 410.540 0.860 20 0 HCADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000494221694 1077444801 /nfs/dbraw/zinc/44/48/01/1077444801.db2.gz ZNZUEMWGXVYGTG-LBPRGKRZSA-N 1 0 402.542 0.790 20 0 HCADRO COCCN(C(=O)C[NH2+][C@]1(C)CCO[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494223798 1077453714 /nfs/dbraw/zinc/45/37/14/1077453714.db2.gz OUHGBVYPSJLEGO-BFUOFWGJSA-N 1 0 411.503 0.324 20 0 HCADRO COCCN(C(=O)C[NH2+][C@@]1(C)CCO[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494223799 1077453907 /nfs/dbraw/zinc/45/39/07/1077453907.db2.gz OUHGBVYPSJLEGO-DJJJIMSYSA-N 1 0 411.503 0.324 20 0 HCADRO COCCN(C(=O)C[NH2+][C@]1(C)CCO[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494223800 1077453833 /nfs/dbraw/zinc/45/38/33/1077453833.db2.gz OUHGBVYPSJLEGO-ORAYPTAESA-N 1 0 411.503 0.324 20 0 HCADRO COCCN(C(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494223801 1077444163 /nfs/dbraw/zinc/44/41/63/1077444163.db2.gz OUHGBVYPSJLEGO-YJYMSZOUSA-N 1 0 411.503 0.324 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C(F)F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000494223898 1077452237 /nfs/dbraw/zinc/45/22/37/1077452237.db2.gz PKZNJGSGXWNGAF-CABCVRRESA-N 1 0 412.437 0.534 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C(F)F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000494223899 1077451950 /nfs/dbraw/zinc/45/19/50/1077451950.db2.gz PKZNJGSGXWNGAF-GJZGRUSLSA-N 1 0 412.437 0.534 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C(F)F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000494223900 1077452007 /nfs/dbraw/zinc/45/20/07/1077452007.db2.gz PKZNJGSGXWNGAF-HUUCEWRRSA-N 1 0 412.437 0.534 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C(F)F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000494223901 1077452070 /nfs/dbraw/zinc/45/20/70/1077452070.db2.gz PKZNJGSGXWNGAF-LSDHHAIUSA-N 1 0 412.437 0.534 20 0 HCADRO COCCN(Cc1ccnn1C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000494224119 1077444886 /nfs/dbraw/zinc/44/48/86/1077444886.db2.gz QQDVUONIQXMDIJ-UHFFFAOYSA-N 1 0 401.515 0.925 20 0 HCADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000494225081 1077459459 /nfs/dbraw/zinc/45/94/59/1077459459.db2.gz XQIXIHXMLXSPPO-CABCVRRESA-N 1 0 420.514 0.089 20 0 HCADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000494225082 1077459587 /nfs/dbraw/zinc/45/95/87/1077459587.db2.gz XQIXIHXMLXSPPO-GJZGRUSLSA-N 1 0 420.514 0.089 20 0 HCADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000494225083 1077459336 /nfs/dbraw/zinc/45/93/36/1077459336.db2.gz XQIXIHXMLXSPPO-HUUCEWRRSA-N 1 0 420.514 0.089 20 0 HCADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000494225084 1077459294 /nfs/dbraw/zinc/45/92/94/1077459294.db2.gz XQIXIHXMLXSPPO-LSDHHAIUSA-N 1 0 420.514 0.089 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ncccc3S(C)(=O)=O)cn2)CC1 ZINC000494225279 1077453763 /nfs/dbraw/zinc/45/37/63/1077453763.db2.gz ZCTSMULLTLOUQD-UHFFFAOYSA-N 1 0 418.523 0.631 20 0 HCADRO C[NH+](C)Cc1ccc(N2CCN(C(=O)NC[C@H]3CN(C4CC4)CCO3)CC2)nc1 ZINC000494225682 1077459230 /nfs/dbraw/zinc/45/92/30/1077459230.db2.gz BVYHYVSCTYTULQ-IBGZPJMESA-N 1 0 402.543 0.838 20 0 HCADRO C[NH+](C)Cc1ccc(N2CCN(C(=O)NC[C@@H]3CN(C4CC4)CCO3)CC2)nc1 ZINC000494225683 1077459602 /nfs/dbraw/zinc/45/96/02/1077459602.db2.gz BVYHYVSCTYTULQ-LJQANCHMSA-N 1 0 402.543 0.838 20 0 HCADRO COCCN(Cc1ccnn1C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000494228457 1077460867 /nfs/dbraw/zinc/46/08/67/1077460867.db2.gz WDJKBBORFPWTRV-UHFFFAOYSA-N 1 0 401.515 0.925 20 0 HCADRO CCCCn1c(N)c(N(CCOC)C(=O)C[NH2+][C@]2(C)CCO[C@@H]2C)c(=O)[nH]c1=O ZINC000494228986 1077461510 /nfs/dbraw/zinc/46/15/10/1077461510.db2.gz ZESRXLXPYWXKSQ-BFUOFWGJSA-N 1 0 411.503 0.468 20 0 HCADRO CCCCn1c(N)c(N(CCOC)C(=O)C[NH2+][C@@]2(C)CCO[C@H]2C)c(=O)[nH]c1=O ZINC000494228987 1077461618 /nfs/dbraw/zinc/46/16/18/1077461618.db2.gz ZESRXLXPYWXKSQ-DJJJIMSYSA-N 1 0 411.503 0.468 20 0 HCADRO CCCCn1c(N)c(N(CCOC)C(=O)C[NH2+][C@]2(C)CCO[C@H]2C)c(=O)[nH]c1=O ZINC000494228988 1077461368 /nfs/dbraw/zinc/46/13/68/1077461368.db2.gz ZESRXLXPYWXKSQ-ORAYPTAESA-N 1 0 411.503 0.468 20 0 HCADRO CCCCn1c(N)c(N(CCOC)C(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C)c(=O)[nH]c1=O ZINC000494228989 1077461599 /nfs/dbraw/zinc/46/15/99/1077461599.db2.gz ZESRXLXPYWXKSQ-YJYMSZOUSA-N 1 0 411.503 0.468 20 0 HCADRO CCS(=O)(=O)N1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000494229459 1077461539 /nfs/dbraw/zinc/46/15/39/1077461539.db2.gz CMSJXJPXUNLBII-HNNXBMFYSA-N 1 0 402.561 0.695 20 0 HCADRO CCS(=O)(=O)N1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000494229460 1077461432 /nfs/dbraw/zinc/46/14/32/1077461432.db2.gz CMSJXJPXUNLBII-OAHLLOKOSA-N 1 0 402.561 0.695 20 0 HCADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000494234051 1077466808 /nfs/dbraw/zinc/46/68/08/1077466808.db2.gz MUTUEKLOASFKKX-CVEARBPZSA-N 1 0 401.467 0.666 20 0 HCADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000494234052 1077466547 /nfs/dbraw/zinc/46/65/47/1077466547.db2.gz MUTUEKLOASFKKX-HOTGVXAUSA-N 1 0 401.467 0.666 20 0 HCADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000494234053 1077466919 /nfs/dbraw/zinc/46/69/19/1077466919.db2.gz MUTUEKLOASFKKX-HZPDHXFCSA-N 1 0 401.467 0.666 20 0 HCADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000494234054 1077466883 /nfs/dbraw/zinc/46/68/83/1077466883.db2.gz MUTUEKLOASFKKX-JKSUJKDBSA-N 1 0 401.467 0.666 20 0 HCADRO CNC(=O)CCOC1CCN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000494234924 1077467483 /nfs/dbraw/zinc/46/74/83/1077467483.db2.gz SILBNLDDULKUJJ-UHFFFAOYSA-N 1 0 420.510 0.709 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C)CC1 ZINC000494235041 1077467354 /nfs/dbraw/zinc/46/73/54/1077467354.db2.gz UARBTLJCUCYVKZ-PBHICJAKSA-N 1 0 400.501 0.281 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@]2(C)CCO[C@@H]2C)CC1 ZINC000494235042 1077467223 /nfs/dbraw/zinc/46/72/23/1077467223.db2.gz UARBTLJCUCYVKZ-RHSMWYFYSA-N 1 0 400.501 0.281 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@]2(C)CCO[C@H]2C)CC1 ZINC000494235043 1077466950 /nfs/dbraw/zinc/46/69/50/1077466950.db2.gz UARBTLJCUCYVKZ-WMLDXEAASA-N 1 0 400.501 0.281 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@]2(C)CCO[C@H]2C)CC1 ZINC000494235044 1077467405 /nfs/dbraw/zinc/46/74/05/1077467405.db2.gz UARBTLJCUCYVKZ-YOEHRIQHSA-N 1 0 400.501 0.281 20 0 HCADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@H]3C)CC2)c1 ZINC000494237034 1077467457 /nfs/dbraw/zinc/46/74/57/1077467457.db2.gz IDHDSQWZFFFONZ-JXFKEZNVSA-N 1 0 423.535 0.879 20 0 HCADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@]3(C)CCO[C@H]3C)CC2)c1 ZINC000494237035 1077467319 /nfs/dbraw/zinc/46/73/19/1077467319.db2.gz IDHDSQWZFFFONZ-OXJNMPFZSA-N 1 0 423.535 0.879 20 0 HCADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@]3(C)CCO[C@@H]3C)CC2)c1 ZINC000494237036 1077467374 /nfs/dbraw/zinc/46/73/74/1077467374.db2.gz IDHDSQWZFFFONZ-OXQOHEQNSA-N 1 0 423.535 0.879 20 0 HCADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@@H]3C)CC2)c1 ZINC000494237037 1077467509 /nfs/dbraw/zinc/46/75/09/1077467509.db2.gz IDHDSQWZFFFONZ-UZLBHIALSA-N 1 0 423.535 0.879 20 0 HCADRO CN1C(=O)C[C@H]([NH2+]CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000494237334 1077467526 /nfs/dbraw/zinc/46/75/26/1077467526.db2.gz KGTIKWGCVWWJSF-FXAWDEMLSA-N 1 0 420.460 0.907 20 0 HCADRO CN1C(=O)C[C@H]([NH2+]CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494237335 1077467386 /nfs/dbraw/zinc/46/73/86/1077467386.db2.gz KGTIKWGCVWWJSF-PXNSSMCTSA-N 1 0 420.460 0.907 20 0 HCADRO CN1C(=O)C[C@@H]([NH2+]CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494237336 1077467289 /nfs/dbraw/zinc/46/72/89/1077467289.db2.gz KGTIKWGCVWWJSF-XLIONFOSSA-N 1 0 420.460 0.907 20 0 HCADRO CN1C(=O)C[C@@H]([NH2+]CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000494237337 1077467426 /nfs/dbraw/zinc/46/74/26/1077467426.db2.gz KGTIKWGCVWWJSF-YLJYHZDGSA-N 1 0 420.460 0.907 20 0 HCADRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000494241163 1077469409 /nfs/dbraw/zinc/46/94/09/1077469409.db2.gz JUOSUHAXMZMEFV-KLHJMIIUSA-N 1 0 403.479 0.654 20 0 HCADRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000494241164 1077469429 /nfs/dbraw/zinc/46/94/29/1077469429.db2.gz JUOSUHAXMZMEFV-RRMPHLOHSA-N 1 0 403.479 0.654 20 0 HCADRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000494241165 1077469594 /nfs/dbraw/zinc/46/95/94/1077469594.db2.gz JUOSUHAXMZMEFV-UQASEVPWSA-N 1 0 403.479 0.654 20 0 HCADRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000494241166 1077469834 /nfs/dbraw/zinc/46/98/34/1077469834.db2.gz JUOSUHAXMZMEFV-XERREHJYSA-N 1 0 403.479 0.654 20 0 HCADRO COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCO1 ZINC000494241210 1077469448 /nfs/dbraw/zinc/46/94/48/1077469448.db2.gz KCHOHGCTSWKRBM-INIZCTEOSA-N 1 0 421.519 0.964 20 0 HCADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCO1 ZINC000494241211 1077469643 /nfs/dbraw/zinc/46/96/43/1077469643.db2.gz KCHOHGCTSWKRBM-MRXNPFEDSA-N 1 0 421.519 0.964 20 0 HCADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000494241280 1077469560 /nfs/dbraw/zinc/46/95/60/1077469560.db2.gz KSEDNRZKAREYAK-LIXBPZJASA-N 1 0 408.449 0.939 20 0 HCADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000494241281 1077469797 /nfs/dbraw/zinc/46/97/97/1077469797.db2.gz KSEDNRZKAREYAK-LSKLOWJMSA-N 1 0 408.449 0.939 20 0 HCADRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000494241282 1077469613 /nfs/dbraw/zinc/46/96/13/1077469613.db2.gz KSEDNRZKAREYAK-PBQZTSCYSA-N 1 0 408.449 0.939 20 0 HCADRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000494241283 1077469474 /nfs/dbraw/zinc/46/94/74/1077469474.db2.gz KSEDNRZKAREYAK-SDDDUWNISA-N 1 0 408.449 0.939 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@H]3C)CC2)cc1 ZINC000494243518 1077462366 /nfs/dbraw/zinc/46/23/66/1077462366.db2.gz AXORJYDFUIROLP-JXFKEZNVSA-N 1 0 423.535 0.879 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@]3(C)CCO[C@H]3C)CC2)cc1 ZINC000494243519 1077462148 /nfs/dbraw/zinc/46/21/48/1077462148.db2.gz AXORJYDFUIROLP-OXJNMPFZSA-N 1 0 423.535 0.879 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@]3(C)CCO[C@@H]3C)CC2)cc1 ZINC000494243520 1077462407 /nfs/dbraw/zinc/46/24/07/1077462407.db2.gz AXORJYDFUIROLP-OXQOHEQNSA-N 1 0 423.535 0.879 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@@H]3C)CC2)cc1 ZINC000494243521 1077462170 /nfs/dbraw/zinc/46/21/70/1077462170.db2.gz AXORJYDFUIROLP-UZLBHIALSA-N 1 0 423.535 0.879 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000494243570 1077462189 /nfs/dbraw/zinc/46/21/89/1077462189.db2.gz BDXFHWRIABQABO-CVEARBPZSA-N 1 0 404.467 0.517 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000494243571 1077462301 /nfs/dbraw/zinc/46/23/01/1077462301.db2.gz BDXFHWRIABQABO-HOTGVXAUSA-N 1 0 404.467 0.517 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000494243572 1077462233 /nfs/dbraw/zinc/46/22/33/1077462233.db2.gz BDXFHWRIABQABO-HZPDHXFCSA-N 1 0 404.467 0.517 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000494243573 1077462139 /nfs/dbraw/zinc/46/21/39/1077462139.db2.gz BDXFHWRIABQABO-JKSUJKDBSA-N 1 0 404.467 0.517 20 0 HCADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000494244349 1077462814 /nfs/dbraw/zinc/46/28/14/1077462814.db2.gz IHWVRJKJHNIMDA-CFLQYTFWSA-N 1 0 408.449 0.953 20 0 HCADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000494244350 1077462754 /nfs/dbraw/zinc/46/27/54/1077462754.db2.gz IHWVRJKJHNIMDA-LIVBEALHSA-N 1 0 408.449 0.953 20 0 HCADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000494244351 1077462961 /nfs/dbraw/zinc/46/29/61/1077462961.db2.gz IHWVRJKJHNIMDA-WIBUTAKZSA-N 1 0 408.449 0.953 20 0 HCADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000494244352 1077462840 /nfs/dbraw/zinc/46/28/40/1077462840.db2.gz IHWVRJKJHNIMDA-ZTQAJYAQSA-N 1 0 408.449 0.953 20 0 HCADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000494250545 1077464835 /nfs/dbraw/zinc/46/48/35/1077464835.db2.gz JNQRGNRDQBXZNF-DOTOQJQBSA-N 1 0 413.450 0.538 20 0 HCADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000494250546 1077464915 /nfs/dbraw/zinc/46/49/15/1077464915.db2.gz JNQRGNRDQBXZNF-NVXWUHKLSA-N 1 0 413.450 0.538 20 0 HCADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000494250547 1077464815 /nfs/dbraw/zinc/46/48/15/1077464815.db2.gz JNQRGNRDQBXZNF-RDJZCZTQSA-N 1 0 413.450 0.538 20 0 HCADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000494250548 1077464896 /nfs/dbraw/zinc/46/48/96/1077464896.db2.gz JNQRGNRDQBXZNF-WBVHZDCISA-N 1 0 413.450 0.538 20 0 HCADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000494251792 1077471090 /nfs/dbraw/zinc/47/10/90/1077471090.db2.gz SUAXHCPNDJIPPD-CVEARBPZSA-N 1 0 422.551 0.863 20 0 HCADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000494251793 1077470954 /nfs/dbraw/zinc/47/09/54/1077470954.db2.gz SUAXHCPNDJIPPD-HOTGVXAUSA-N 1 0 422.551 0.863 20 0 HCADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000494251794 1077470967 /nfs/dbraw/zinc/47/09/67/1077470967.db2.gz SUAXHCPNDJIPPD-HZPDHXFCSA-N 1 0 422.551 0.863 20 0 HCADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000494251795 1077471073 /nfs/dbraw/zinc/47/10/73/1077471073.db2.gz SUAXHCPNDJIPPD-JKSUJKDBSA-N 1 0 422.551 0.863 20 0 HCADRO Cc1nc(Cn2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)nn2)no1 ZINC000494252056 1077471049 /nfs/dbraw/zinc/47/10/49/1077471049.db2.gz VHMHVUWVTBVWLA-UHFFFAOYSA-N 1 0 410.482 0.960 20 0 HCADRO CN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000494254520 1077471606 /nfs/dbraw/zinc/47/16/06/1077471606.db2.gz RYJOZMDXTZTATE-KRWDZBQOSA-N 1 0 404.511 0.746 20 0 HCADRO CN(C[C@H]1CCOC1)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000494254521 1077471829 /nfs/dbraw/zinc/47/18/29/1077471829.db2.gz RYJOZMDXTZTATE-QGZVFWFLSA-N 1 0 404.511 0.746 20 0 HCADRO COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CCO1 ZINC000494256039 1077472247 /nfs/dbraw/zinc/47/22/47/1077472247.db2.gz GEAXPWXVJCLGPN-HNNXBMFYSA-N 1 0 407.467 0.664 20 0 HCADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CCO1 ZINC000494256040 1077472276 /nfs/dbraw/zinc/47/22/76/1077472276.db2.gz GEAXPWXVJCLGPN-OAHLLOKOSA-N 1 0 407.467 0.664 20 0 HCADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000494257242 1077472559 /nfs/dbraw/zinc/47/25/59/1077472559.db2.gz PIOUBBIMPBZPMR-DOTOQJQBSA-N 1 0 411.915 0.913 20 0 HCADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000494257243 1077472324 /nfs/dbraw/zinc/47/23/24/1077472324.db2.gz PIOUBBIMPBZPMR-NVXWUHKLSA-N 1 0 411.915 0.913 20 0 HCADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000494257244 1077473002 /nfs/dbraw/zinc/47/30/02/1077473002.db2.gz PIOUBBIMPBZPMR-RDJZCZTQSA-N 1 0 411.915 0.913 20 0 HCADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000494257245 1077472716 /nfs/dbraw/zinc/47/27/16/1077472716.db2.gz PIOUBBIMPBZPMR-WBVHZDCISA-N 1 0 411.915 0.913 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)C[C@@H](C)O1 ZINC000494261855 1077479225 /nfs/dbraw/zinc/47/92/25/1077479225.db2.gz JEJBMRJGVNXJEI-BFYDXBDKSA-N 1 0 400.545 0.111 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)C[C@H](C)O1 ZINC000494261856 1077479437 /nfs/dbraw/zinc/47/94/37/1077479437.db2.gz JEJBMRJGVNXJEI-HLLBOEOZSA-N 1 0 400.545 0.111 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)C[C@@H](C)O1 ZINC000494261857 1077479058 /nfs/dbraw/zinc/47/90/58/1077479058.db2.gz JEJBMRJGVNXJEI-INMHGKMJSA-N 1 0 400.545 0.111 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)C[C@H](C)O1 ZINC000494261858 1077479169 /nfs/dbraw/zinc/47/91/69/1077479169.db2.gz JEJBMRJGVNXJEI-UXLLHSPISA-N 1 0 400.545 0.111 20 0 HCADRO Cc1nc(Cn2cc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)nn2)no1 ZINC000494261866 1077478877 /nfs/dbraw/zinc/47/88/77/1077478877.db2.gz JIRKBIYFRYXGCV-UHFFFAOYSA-N 1 0 424.509 0.956 20 0 HCADRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000494264090 1077480129 /nfs/dbraw/zinc/48/01/29/1077480129.db2.gz DFZVHEQZVUPTTP-ACJLOTCBSA-N 1 0 417.478 0.955 20 0 HCADRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000494264091 1077479895 /nfs/dbraw/zinc/47/98/95/1077479895.db2.gz DFZVHEQZVUPTTP-FZKQIMNGSA-N 1 0 417.478 0.955 20 0 HCADRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000494264092 1077479725 /nfs/dbraw/zinc/47/97/25/1077479725.db2.gz DFZVHEQZVUPTTP-SCLBCKFNSA-N 1 0 417.478 0.955 20 0 HCADRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000494264093 1077480050 /nfs/dbraw/zinc/48/00/50/1077480050.db2.gz DFZVHEQZVUPTTP-UGSOOPFHSA-N 1 0 417.478 0.955 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@H](O)C(F)F ZINC000494270841 1077474445 /nfs/dbraw/zinc/47/44/45/1077474445.db2.gz KWPUCADOTPDBOB-AWEZNQCLSA-N 1 0 400.426 0.518 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@H](O)C(F)F ZINC000494270842 1077474147 /nfs/dbraw/zinc/47/41/47/1077474147.db2.gz KWPUCADOTPDBOB-CQSZACIVSA-N 1 0 400.426 0.518 20 0 HCADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000494271941 1077475236 /nfs/dbraw/zinc/47/52/36/1077475236.db2.gz UYTOHPRJIDCLQH-GOSISDBHSA-N 1 0 418.494 0.163 20 0 HCADRO COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000494271942 1077475343 /nfs/dbraw/zinc/47/53/43/1077475343.db2.gz UYTOHPRJIDCLQH-SFHVURJKSA-N 1 0 418.494 0.163 20 0 HCADRO COc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1-n1nnnc1C ZINC000494273373 1077475120 /nfs/dbraw/zinc/47/51/20/1077475120.db2.gz HRYMALKKKOEWEL-DZGCQCFKSA-N 1 0 401.471 0.907 20 0 HCADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1-n1nnnc1C ZINC000494273374 1077475150 /nfs/dbraw/zinc/47/51/50/1077475150.db2.gz HRYMALKKKOEWEL-HIFRSBDPSA-N 1 0 401.471 0.907 20 0 HCADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1-n1nnnc1C ZINC000494273375 1077476006 /nfs/dbraw/zinc/47/60/06/1077476006.db2.gz HRYMALKKKOEWEL-UKRRQHHQSA-N 1 0 401.471 0.907 20 0 HCADRO COc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1-n1nnnc1C ZINC000494273376 1077475897 /nfs/dbraw/zinc/47/58/97/1077475897.db2.gz HRYMALKKKOEWEL-ZFWWWQNUSA-N 1 0 401.471 0.907 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@@H]3C)CC2)cc1 ZINC000494276747 1077477126 /nfs/dbraw/zinc/47/71/26/1077477126.db2.gz LECAUMHDPIOEOU-BEFAXECRSA-N 1 0 411.524 0.685 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@]3(C)CCO[C@@H]3C)CC2)cc1 ZINC000494276748 1077477253 /nfs/dbraw/zinc/47/72/53/1077477253.db2.gz LECAUMHDPIOEOU-DNVCBOLYSA-N 1 0 411.524 0.685 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@]3(C)CCO[C@H]3C)CC2)cc1 ZINC000494276749 1077477040 /nfs/dbraw/zinc/47/70/40/1077477040.db2.gz LECAUMHDPIOEOU-HNAYVOBHSA-N 1 0 411.524 0.685 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@H]3C)CC2)cc1 ZINC000494276750 1077477069 /nfs/dbraw/zinc/47/70/69/1077477069.db2.gz LECAUMHDPIOEOU-KXBFYZLASA-N 1 0 411.524 0.685 20 0 HCADRO CNC(=O)CCOC1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000494277386 1077476411 /nfs/dbraw/zinc/47/64/11/1077476411.db2.gz QONXSBBTHAOHOY-UHFFFAOYSA-N 1 0 404.511 0.873 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCCOc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000494279379 1077478476 /nfs/dbraw/zinc/47/84/76/1077478476.db2.gz JZBJHPRNKZJQRY-UHFFFAOYSA-N 1 0 402.495 0.963 20 0 HCADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1 ZINC000494279984 1077484301 /nfs/dbraw/zinc/48/43/01/1077484301.db2.gz QFNYSDAOBISOEV-DOTOQJQBSA-N 1 0 422.551 0.849 20 0 HCADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1 ZINC000494279985 1077483934 /nfs/dbraw/zinc/48/39/34/1077483934.db2.gz QFNYSDAOBISOEV-NVXWUHKLSA-N 1 0 422.551 0.849 20 0 HCADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1 ZINC000494279986 1077484122 /nfs/dbraw/zinc/48/41/22/1077484122.db2.gz QFNYSDAOBISOEV-RDJZCZTQSA-N 1 0 422.551 0.849 20 0 HCADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1 ZINC000494279987 1077484362 /nfs/dbraw/zinc/48/43/62/1077484362.db2.gz QFNYSDAOBISOEV-WBVHZDCISA-N 1 0 422.551 0.849 20 0 HCADRO CCc1c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)nnn1Cc1ccc(F)cc1 ZINC000494280167 1077484139 /nfs/dbraw/zinc/48/41/39/1077484139.db2.gz SAFXWGKYAKRRNT-UHFFFAOYSA-N 1 0 402.474 0.874 20 0 HCADRO Cn1cc(S(=O)(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c(=O)n(C)c1=O ZINC000494281405 1077484739 /nfs/dbraw/zinc/48/47/39/1077484739.db2.gz DOYCZJXIYVWQLR-IBGZPJMESA-N 1 0 406.508 0.417 20 0 HCADRO Cn1cc(S(=O)(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c(=O)n(C)c1=O ZINC000494281406 1077484639 /nfs/dbraw/zinc/48/46/39/1077484639.db2.gz DOYCZJXIYVWQLR-LJQANCHMSA-N 1 0 406.508 0.417 20 0 HCADRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494282373 1077485623 /nfs/dbraw/zinc/48/56/23/1077485623.db2.gz NFEZGNBDVMAWHX-BEFAXECRSA-N 1 0 411.524 0.481 20 0 HCADRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494282374 1077485576 /nfs/dbraw/zinc/48/55/76/1077485576.db2.gz NFEZGNBDVMAWHX-DNVCBOLYSA-N 1 0 411.524 0.481 20 0 HCADRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494282375 1077485749 /nfs/dbraw/zinc/48/57/49/1077485749.db2.gz NFEZGNBDVMAWHX-HNAYVOBHSA-N 1 0 411.524 0.481 20 0 HCADRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494282376 1077485730 /nfs/dbraw/zinc/48/57/30/1077485730.db2.gz NFEZGNBDVMAWHX-KXBFYZLASA-N 1 0 411.524 0.481 20 0 HCADRO CNC(=O)CCOC1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000494282450 1077485546 /nfs/dbraw/zinc/48/55/46/1077485546.db2.gz NULVWSBPRYFACJ-UHFFFAOYSA-N 1 0 420.510 0.709 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000494288477 1077488405 /nfs/dbraw/zinc/48/84/05/1077488405.db2.gz SLMZZTNUDLVTOB-DLBZAZTESA-N 1 0 418.494 0.907 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000494288478 1077488830 /nfs/dbraw/zinc/48/88/30/1077488830.db2.gz SLMZZTNUDLVTOB-IAGOWNOFSA-N 1 0 418.494 0.907 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000494288479 1077488682 /nfs/dbraw/zinc/48/86/82/1077488682.db2.gz SLMZZTNUDLVTOB-IRXDYDNUSA-N 1 0 418.494 0.907 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000494288480 1077488369 /nfs/dbraw/zinc/48/83/69/1077488369.db2.gz SLMZZTNUDLVTOB-SJORKVTESA-N 1 0 418.494 0.907 20 0 HCADRO Cc1cc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)nn1-c1nc(C)cc(C)n1 ZINC000494298681 1077493322 /nfs/dbraw/zinc/49/33/22/1077493322.db2.gz QCUBHXAFIPKAPM-UHFFFAOYSA-N 1 0 415.542 0.707 20 0 HCADRO CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1Cl ZINC000494303652 1077494477 /nfs/dbraw/zinc/49/44/77/1077494477.db2.gz LMWLCWYOCDPILK-AWEZNQCLSA-N 1 0 424.933 0.525 20 0 HCADRO CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1Cl ZINC000494303653 1077494730 /nfs/dbraw/zinc/49/47/30/1077494730.db2.gz LMWLCWYOCDPILK-CQSZACIVSA-N 1 0 424.933 0.525 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000494308894 1077483642 /nfs/dbraw/zinc/48/36/42/1077483642.db2.gz HWHFUDOTMVLATB-DLBZAZTESA-N 1 0 418.494 0.446 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000494308899 1077483703 /nfs/dbraw/zinc/48/37/03/1077483703.db2.gz HWHFUDOTMVLATB-IAGOWNOFSA-N 1 0 418.494 0.446 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000494308902 1077483458 /nfs/dbraw/zinc/48/34/58/1077483458.db2.gz HWHFUDOTMVLATB-IRXDYDNUSA-N 1 0 418.494 0.446 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000494308905 1077483438 /nfs/dbraw/zinc/48/34/38/1077483438.db2.gz HWHFUDOTMVLATB-SJORKVTESA-N 1 0 418.494 0.446 20 0 HCADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)C1 ZINC000494311803 1077495869 /nfs/dbraw/zinc/49/58/69/1077495869.db2.gz MRBGAHFBPLLSHN-CVEARBPZSA-N 1 0 422.551 0.932 20 0 HCADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)C1 ZINC000494311817 1077495916 /nfs/dbraw/zinc/49/59/16/1077495916.db2.gz MRBGAHFBPLLSHN-HOTGVXAUSA-N 1 0 422.551 0.932 20 0 HCADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)C1 ZINC000494311820 1077496052 /nfs/dbraw/zinc/49/60/52/1077496052.db2.gz MRBGAHFBPLLSHN-HZPDHXFCSA-N 1 0 422.551 0.932 20 0 HCADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)C1 ZINC000494311821 1077496875 /nfs/dbraw/zinc/49/68/75/1077496875.db2.gz MRBGAHFBPLLSHN-JKSUJKDBSA-N 1 0 422.551 0.932 20 0 HCADRO COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCO1 ZINC000494321355 1077506959 /nfs/dbraw/zinc/50/69/59/1077506959.db2.gz ZGPWSCURYIHRQL-INIZCTEOSA-N 1 0 420.466 0.306 20 0 HCADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCO1 ZINC000494321358 1077507096 /nfs/dbraw/zinc/50/70/96/1077507096.db2.gz ZGPWSCURYIHRQL-MRXNPFEDSA-N 1 0 420.466 0.306 20 0 HCADRO Cc1nc(Cn2cc(C(=O)NCc3ccc(CN4CC[NH+](C)CC4)cc3)nn2)no1 ZINC000494323843 1077507548 /nfs/dbraw/zinc/50/75/48/1077507548.db2.gz XTCDKFGLICGYTF-UHFFFAOYSA-N 1 0 410.482 0.695 20 0 HCADRO NC(=O)c1cccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000494325914 1077508245 /nfs/dbraw/zinc/50/82/45/1077508245.db2.gz DMDKNWFTENLFNW-UHFFFAOYSA-N 1 0 410.474 0.997 20 0 HCADRO CCCCS(=O)(=O)N1CCC(C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000494329409 1077498264 /nfs/dbraw/zinc/49/82/64/1077498264.db2.gz XUOZPCWUCIUUTK-KRWDZBQOSA-N 1 0 402.605 0.971 20 0 HCADRO CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000494329410 1077498292 /nfs/dbraw/zinc/49/82/92/1077498292.db2.gz XUOZPCWUCIUUTK-QGZVFWFLSA-N 1 0 402.605 0.971 20 0 HCADRO CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000494330946 1077498666 /nfs/dbraw/zinc/49/86/66/1077498666.db2.gz PSRQAVDOJSZLLE-KRWDZBQOSA-N 1 0 406.527 0.789 20 0 HCADRO CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000494330951 1077498879 /nfs/dbraw/zinc/49/88/79/1077498879.db2.gz PSRQAVDOJSZLLE-QGZVFWFLSA-N 1 0 406.527 0.789 20 0 HCADRO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC[NH+](C2CC2)CC1 ZINC000494332132 1077498748 /nfs/dbraw/zinc/49/87/48/1077498748.db2.gz SCRCIICINNJZSX-UHFFFAOYSA-N 1 0 406.508 0.620 20 0 HCADRO CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000494342516 1077502161 /nfs/dbraw/zinc/50/21/61/1077502161.db2.gz YNDPUCWVSDFCPN-FQEVSTJZSA-N 1 0 417.554 0.288 20 0 HCADRO CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000494342517 1077502848 /nfs/dbraw/zinc/50/28/48/1077502848.db2.gz YNDPUCWVSDFCPN-HXUWFJFHSA-N 1 0 417.554 0.288 20 0 HCADRO CCC1(O)CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000494344180 1077503488 /nfs/dbraw/zinc/50/34/88/1077503488.db2.gz BHXNMUFYVNKMNQ-UHFFFAOYSA-N 1 0 404.467 0.858 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@]3(C)CO)cc2)CC1 ZINC000494346291 1077504050 /nfs/dbraw/zinc/50/40/50/1077504050.db2.gz GHONIJSDJMGKGV-DENIHFKCSA-N 1 0 418.538 0.919 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000494346293 1077504217 /nfs/dbraw/zinc/50/42/17/1077504217.db2.gz GHONIJSDJMGKGV-KNQAVFIVSA-N 1 0 418.538 0.919 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@]3(C)CO)cc2)CC1 ZINC000494346294 1077504125 /nfs/dbraw/zinc/50/41/25/1077504125.db2.gz GHONIJSDJMGKGV-SIKLNZKXSA-N 1 0 418.538 0.919 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000494346296 1077504074 /nfs/dbraw/zinc/50/40/74/1077504074.db2.gz GHONIJSDJMGKGV-UGKGYDQZSA-N 1 0 418.538 0.919 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@](O)(C(F)(F)F)C3)c2)CC1 ZINC000494375467 1077521627 /nfs/dbraw/zinc/52/16/27/1077521627.db2.gz QBLMDNHPJKJOFQ-GOSISDBHSA-N 1 0 414.428 0.898 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@](O)(C(F)(F)F)C3)c2)CC1 ZINC000494375468 1077521095 /nfs/dbraw/zinc/52/10/95/1077521095.db2.gz QBLMDNHPJKJOFQ-SFHVURJKSA-N 1 0 414.428 0.898 20 0 HCADRO CCS(=O)(=O)NCCS(=O)(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000494377307 1077522705 /nfs/dbraw/zinc/52/27/05/1077522705.db2.gz YAKACQYWFCKEJT-KRWDZBQOSA-N 1 0 403.570 0.900 20 0 HCADRO CCS(=O)(=O)NCCS(=O)(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000494377308 1077522460 /nfs/dbraw/zinc/52/24/60/1077522460.db2.gz YAKACQYWFCKEJT-QGZVFWFLSA-N 1 0 403.570 0.900 20 0 HCADRO Cn1c2ccccc2cc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1=O ZINC000494382905 1077524307 /nfs/dbraw/zinc/52/43/07/1077524307.db2.gz FQTRYHKDHUVAHF-IBGZPJMESA-N 1 0 411.506 0.987 20 0 HCADRO Cn1c2ccccc2cc(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1=O ZINC000494382907 1077524709 /nfs/dbraw/zinc/52/47/09/1077524709.db2.gz FQTRYHKDHUVAHF-LJQANCHMSA-N 1 0 411.506 0.987 20 0 HCADRO COC(=O)C(C)(C)N1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000494390194 1077534006 /nfs/dbraw/zinc/53/40/06/1077534006.db2.gz YOTYEGXGPOBHRT-UHFFFAOYSA-N 1 0 424.586 0.707 20 0 HCADRO COC(=O)C(C)(C)N1CCN(CCC[NH+]2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000494391918 1077534878 /nfs/dbraw/zinc/53/48/78/1077534878.db2.gz MGGHOCGWFFRNOT-UHFFFAOYSA-N 1 0 412.575 0.515 20 0 HCADRO COC(=O)C(C)(C)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000494395567 1077527113 /nfs/dbraw/zinc/52/71/13/1077527113.db2.gz UXLXZACATRLQQX-UHFFFAOYSA-N 1 0 404.515 0.085 20 0 HCADRO CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000494396136 1077527498 /nfs/dbraw/zinc/52/74/98/1077527498.db2.gz WMLOGASYCNVPAR-GOSISDBHSA-N 1 0 419.526 0.430 20 0 HCADRO CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000494396142 1077527344 /nfs/dbraw/zinc/52/73/44/1077527344.db2.gz WMLOGASYCNVPAR-SFHVURJKSA-N 1 0 419.526 0.430 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000494406706 1077529998 /nfs/dbraw/zinc/52/99/98/1077529998.db2.gz QOWOFTWMLJIJBD-NRFANRHFSA-N 1 0 407.559 0.973 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000494406711 1077530075 /nfs/dbraw/zinc/53/00/75/1077530075.db2.gz QOWOFTWMLJIJBD-OAQYLSRUSA-N 1 0 407.559 0.973 20 0 HCADRO COC(=O)C(C)(C)N1CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000494418612 1077540353 /nfs/dbraw/zinc/54/03/53/1077540353.db2.gz OQUHTUZWJNDDJG-UHFFFAOYSA-N 1 0 403.527 0.690 20 0 HCADRO CC(C)(C(N)=O)N1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000494421127 1077540238 /nfs/dbraw/zinc/54/02/38/1077540238.db2.gz XOVZTLKSKMBFQU-UHFFFAOYSA-N 1 0 417.554 0.734 20 0 HCADRO COC(=O)C(C)(C)N1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000494424156 1077535638 /nfs/dbraw/zinc/53/56/38/1077535638.db2.gz HXZISPZZYSUMSR-UHFFFAOYSA-N 1 0 412.512 0.232 20 0 HCADRO Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3cccc(C[NH+](C)C)c3)CCO2)n1 ZINC000494425431 1077536148 /nfs/dbraw/zinc/53/61/48/1077536148.db2.gz LYEZWWPFEYGKJS-GOSISDBHSA-N 1 0 400.483 0.823 20 0 HCADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C[NH+](C)C)c3)CCO2)n1 ZINC000494425434 1077535962 /nfs/dbraw/zinc/53/59/62/1077535962.db2.gz LYEZWWPFEYGKJS-SFHVURJKSA-N 1 0 400.483 0.823 20 0 HCADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000494426704 1077536530 /nfs/dbraw/zinc/53/65/30/1077536530.db2.gz QYTCLHIJZIIKDB-FQEVSTJZSA-N 1 0 421.586 0.873 20 0 HCADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000494426710 1077536568 /nfs/dbraw/zinc/53/65/68/1077536568.db2.gz QYTCLHIJZIIKDB-HXUWFJFHSA-N 1 0 421.586 0.873 20 0 HCADRO Cn1c2ccccc2cc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1=O ZINC000494426939 1077536783 /nfs/dbraw/zinc/53/67/83/1077536783.db2.gz RGGSAFJKWSJMNO-UHFFFAOYSA-N 1 0 411.506 0.988 20 0 HCADRO C[C@@]1(CO)CCC[C@@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000494428462 1077536735 /nfs/dbraw/zinc/53/67/35/1077536735.db2.gz VCXWYWICPQAVSL-AVRDEDQJSA-N 1 0 416.522 0.990 20 0 HCADRO C[C@@]1(CO)CCC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000494428464 1077536912 /nfs/dbraw/zinc/53/69/12/1077536912.db2.gz VCXWYWICPQAVSL-GCJKJVERSA-N 1 0 416.522 0.990 20 0 HCADRO C[C@]1(CO)CCC[C@@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000494428465 1077536761 /nfs/dbraw/zinc/53/67/61/1077536761.db2.gz VCXWYWICPQAVSL-PGRDOPGGSA-N 1 0 416.522 0.990 20 0 HCADRO C[C@]1(CO)CCC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000494428466 1077536890 /nfs/dbraw/zinc/53/68/90/1077536890.db2.gz VCXWYWICPQAVSL-XMSQKQJNSA-N 1 0 416.522 0.990 20 0 HCADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)CCO2)n1 ZINC000494428553 1077536904 /nfs/dbraw/zinc/53/69/04/1077536904.db2.gz VKMMNTUWHVEXER-IBGZPJMESA-N 1 0 414.510 0.865 20 0 HCADRO Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)CCO2)n1 ZINC000494428554 1077536872 /nfs/dbraw/zinc/53/68/72/1077536872.db2.gz VKMMNTUWHVEXER-LJQANCHMSA-N 1 0 414.510 0.865 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@]3(C)CO)cc21 ZINC000494429149 1077537324 /nfs/dbraw/zinc/53/73/24/1077537324.db2.gz JLRLCUDWXUOUIT-JXFKEZNVSA-N 1 0 404.467 0.762 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@]3(C)CO)cc21 ZINC000494429153 1077537240 /nfs/dbraw/zinc/53/72/40/1077537240.db2.gz JLRLCUDWXUOUIT-OXJNMPFZSA-N 1 0 404.467 0.762 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@]3(C)CO)cc21 ZINC000494429155 1077537125 /nfs/dbraw/zinc/53/71/25/1077537125.db2.gz JLRLCUDWXUOUIT-OXQOHEQNSA-N 1 0 404.467 0.762 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@]3(C)CO)cc21 ZINC000494429156 1077537173 /nfs/dbraw/zinc/53/71/73/1077537173.db2.gz JLRLCUDWXUOUIT-UZLBHIALSA-N 1 0 404.467 0.762 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000494444261 1077541069 /nfs/dbraw/zinc/54/10/69/1077541069.db2.gz LHNHELSRJRRTJM-DOTOQJQBSA-N 1 0 412.512 0.281 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000494444262 1077541113 /nfs/dbraw/zinc/54/11/13/1077541113.db2.gz LHNHELSRJRRTJM-NVXWUHKLSA-N 1 0 412.512 0.281 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000494444263 1077540973 /nfs/dbraw/zinc/54/09/73/1077540973.db2.gz LHNHELSRJRRTJM-RDJZCZTQSA-N 1 0 412.512 0.281 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000494444264 1077541039 /nfs/dbraw/zinc/54/10/39/1077541039.db2.gz LHNHELSRJRRTJM-WBVHZDCISA-N 1 0 412.512 0.281 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000494449331 1077541387 /nfs/dbraw/zinc/54/13/87/1077541387.db2.gz IJERPXGWPOKFQI-AZUAARDMSA-N 1 0 407.536 0.818 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000494449332 1077541340 /nfs/dbraw/zinc/54/13/40/1077541340.db2.gz IJERPXGWPOKFQI-ICSRJNTNSA-N 1 0 407.536 0.818 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000494449333 1077541427 /nfs/dbraw/zinc/54/14/27/1077541427.db2.gz IJERPXGWPOKFQI-QUCCMNQESA-N 1 0 407.536 0.818 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000494449334 1077541778 /nfs/dbraw/zinc/54/17/78/1077541778.db2.gz IJERPXGWPOKFQI-UYAOXDASSA-N 1 0 407.536 0.818 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494450181 1077541854 /nfs/dbraw/zinc/54/18/54/1077541854.db2.gz CMFVFAYCRBGKNV-FXAWDEMLSA-N 1 0 423.535 0.481 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494450184 1077541785 /nfs/dbraw/zinc/54/17/85/1077541785.db2.gz CMFVFAYCRBGKNV-PXNSSMCTSA-N 1 0 423.535 0.481 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494450185 1077541911 /nfs/dbraw/zinc/54/19/11/1077541911.db2.gz CMFVFAYCRBGKNV-XLIONFOSSA-N 1 0 423.535 0.481 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494450187 1077541696 /nfs/dbraw/zinc/54/16/96/1077541696.db2.gz CMFVFAYCRBGKNV-YLJYHZDGSA-N 1 0 423.535 0.481 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494451073 1077542328 /nfs/dbraw/zinc/54/23/28/1077542328.db2.gz GOKQTQZWXNSSBI-HKUYNNGSSA-N 1 0 409.508 0.803 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494451074 1077542324 /nfs/dbraw/zinc/54/23/24/1077542324.db2.gz GOKQTQZWXNSSBI-IEBWSBKVSA-N 1 0 409.508 0.803 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494451075 1077542173 /nfs/dbraw/zinc/54/21/73/1077542173.db2.gz GOKQTQZWXNSSBI-MJGOQNOKSA-N 1 0 409.508 0.803 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494451076 1077542275 /nfs/dbraw/zinc/54/22/75/1077542275.db2.gz GOKQTQZWXNSSBI-PKOBYXMFSA-N 1 0 409.508 0.803 20 0 HCADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000494452569 1077542151 /nfs/dbraw/zinc/54/21/51/1077542151.db2.gz IMGRFIXKYNAWPF-HNNXBMFYSA-N 1 0 409.556 0.805 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000494452695 1077542340 /nfs/dbraw/zinc/54/23/40/1077542340.db2.gz IRUFQAIXXUWKSZ-BSIFCXSSSA-N 1 0 415.490 0.654 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000494452698 1077542336 /nfs/dbraw/zinc/54/23/36/1077542336.db2.gz IRUFQAIXXUWKSZ-LKUPVBHCSA-N 1 0 415.490 0.654 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000494452702 1077542332 /nfs/dbraw/zinc/54/23/32/1077542332.db2.gz IRUFQAIXXUWKSZ-OZOXKJRCSA-N 1 0 415.490 0.654 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000494452704 1077542203 /nfs/dbraw/zinc/54/22/03/1077542203.db2.gz IRUFQAIXXUWKSZ-PBEJRMEISA-N 1 0 415.490 0.654 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000494454380 1077542563 /nfs/dbraw/zinc/54/25/63/1077542563.db2.gz SHUXWGJWGNAAEB-FXAWDEMLSA-N 1 0 408.930 0.992 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000494454388 1077542762 /nfs/dbraw/zinc/54/27/62/1077542762.db2.gz SHUXWGJWGNAAEB-PXNSSMCTSA-N 1 0 408.930 0.992 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000494454393 1077542619 /nfs/dbraw/zinc/54/26/19/1077542619.db2.gz SHUXWGJWGNAAEB-XLIONFOSSA-N 1 0 408.930 0.992 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000494454397 1077542527 /nfs/dbraw/zinc/54/25/27/1077542527.db2.gz SHUXWGJWGNAAEB-YLJYHZDGSA-N 1 0 408.930 0.992 20 0 HCADRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000494460753 1077543606 /nfs/dbraw/zinc/54/36/06/1077543606.db2.gz ZDQVHDYYICRBNU-UHFFFAOYSA-N 1 0 415.512 0.694 20 0 HCADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 ZINC000494461109 1077543626 /nfs/dbraw/zinc/54/36/26/1077543626.db2.gz HUEAJYSYHBAZEU-KBXCAEBGSA-N 1 0 421.517 0.915 20 0 HCADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 ZINC000494461110 1077543719 /nfs/dbraw/zinc/54/37/19/1077543719.db2.gz HUEAJYSYHBAZEU-KDOFPFPSSA-N 1 0 421.517 0.915 20 0 HCADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 ZINC000494461111 1077543426 /nfs/dbraw/zinc/54/34/26/1077543426.db2.gz HUEAJYSYHBAZEU-KSSFIOAISA-N 1 0 421.517 0.915 20 0 HCADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 ZINC000494461112 1077543381 /nfs/dbraw/zinc/54/33/81/1077543381.db2.gz HUEAJYSYHBAZEU-RDTXWAMCSA-N 1 0 421.517 0.915 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000494464414 1077544076 /nfs/dbraw/zinc/54/40/76/1077544076.db2.gz JQYWYGULACYATR-HKUYNNGSSA-N 1 0 411.499 0.816 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000494464415 1077544361 /nfs/dbraw/zinc/54/43/61/1077544361.db2.gz JQYWYGULACYATR-IEBWSBKVSA-N 1 0 411.499 0.816 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000494464416 1077544454 /nfs/dbraw/zinc/54/44/54/1077544454.db2.gz JQYWYGULACYATR-MJGOQNOKSA-N 1 0 411.499 0.816 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000494464417 1077544581 /nfs/dbraw/zinc/54/45/81/1077544581.db2.gz JQYWYGULACYATR-PKOBYXMFSA-N 1 0 411.499 0.816 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000494467652 1077544575 /nfs/dbraw/zinc/54/45/75/1077544575.db2.gz RJDCNMFLABNNQR-AZUAARDMSA-N 1 0 423.535 0.685 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000494467655 1077544496 /nfs/dbraw/zinc/54/44/96/1077544496.db2.gz RJDCNMFLABNNQR-ICSRJNTNSA-N 1 0 423.535 0.685 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000494467657 1077544928 /nfs/dbraw/zinc/54/49/28/1077544928.db2.gz RJDCNMFLABNNQR-QUCCMNQESA-N 1 0 423.535 0.685 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000494467659 1077544986 /nfs/dbraw/zinc/54/49/86/1077544986.db2.gz RJDCNMFLABNNQR-UYAOXDASSA-N 1 0 423.535 0.685 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)CC2)CC1 ZINC000494467870 1077544319 /nfs/dbraw/zinc/54/43/19/1077544319.db2.gz HUWNTAJUCUMDKD-JOCHJYFZSA-N 1 0 413.522 0.841 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)CC2)CC1 ZINC000494467873 1077544419 /nfs/dbraw/zinc/54/44/19/1077544419.db2.gz HUWNTAJUCUMDKD-QFIPXVFZSA-N 1 0 413.522 0.841 20 0 HCADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN(C[C@H](C)O)CC3)CC2)cc1 ZINC000494468206 1077545034 /nfs/dbraw/zinc/54/50/34/1077545034.db2.gz SCUJSDOQTRBSCL-IBGZPJMESA-N 1 0 404.555 0.728 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494468370 1077544911 /nfs/dbraw/zinc/54/49/11/1077544911.db2.gz SKKDRLOAOMPAKF-HKUYNNGSSA-N 1 0 409.508 0.803 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494468373 1077544803 /nfs/dbraw/zinc/54/48/03/1077544803.db2.gz SKKDRLOAOMPAKF-IEBWSBKVSA-N 1 0 409.508 0.803 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494468376 1077545012 /nfs/dbraw/zinc/54/50/12/1077545012.db2.gz SKKDRLOAOMPAKF-MJGOQNOKSA-N 1 0 409.508 0.803 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494468379 1077544823 /nfs/dbraw/zinc/54/48/23/1077544823.db2.gz SKKDRLOAOMPAKF-PKOBYXMFSA-N 1 0 409.508 0.803 20 0 HCADRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000494470562 1077545872 /nfs/dbraw/zinc/54/58/72/1077545872.db2.gz VVORBUIDXNQQGT-UHFFFAOYSA-N 1 0 406.508 0.764 20 0 HCADRO Cn1c2ncn(CC[NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)c2c(=O)n(C)c1=O ZINC000494474732 1077546468 /nfs/dbraw/zinc/54/64/68/1077546468.db2.gz RIXCOCHLRWQZJO-GDBMZVCRSA-N 1 0 405.405 0.832 20 0 HCADRO Cn1c2ncn(CC[NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)c2c(=O)n(C)c1=O ZINC000494474734 1077546368 /nfs/dbraw/zinc/54/63/68/1077546368.db2.gz RIXCOCHLRWQZJO-GOEBONIOSA-N 1 0 405.405 0.832 20 0 HCADRO Cn1c2ncn(CC[NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)c2c(=O)n(C)c1=O ZINC000494474735 1077546449 /nfs/dbraw/zinc/54/64/49/1077546449.db2.gz RIXCOCHLRWQZJO-HOCLYGCPSA-N 1 0 405.405 0.832 20 0 HCADRO Cn1c2ncn(CC[NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)c2c(=O)n(C)c1=O ZINC000494474736 1077546493 /nfs/dbraw/zinc/54/64/93/1077546493.db2.gz RIXCOCHLRWQZJO-ZBFHGGJFSA-N 1 0 405.405 0.832 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494475387 1077546423 /nfs/dbraw/zinc/54/64/23/1077546423.db2.gz NXDWXRZKYREIMV-AZUAARDMSA-N 1 0 423.535 0.481 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494475388 1077546454 /nfs/dbraw/zinc/54/64/54/1077546454.db2.gz NXDWXRZKYREIMV-ICSRJNTNSA-N 1 0 423.535 0.481 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494475389 1077546355 /nfs/dbraw/zinc/54/63/55/1077546355.db2.gz NXDWXRZKYREIMV-QUCCMNQESA-N 1 0 423.535 0.481 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494475390 1077547197 /nfs/dbraw/zinc/54/71/97/1077547197.db2.gz NXDWXRZKYREIMV-UYAOXDASSA-N 1 0 423.535 0.481 20 0 HCADRO Cc1nc(Cn2nnc(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)c2C)no1 ZINC000494475758 1077546512 /nfs/dbraw/zinc/54/65/12/1077546512.db2.gz TYOGELZZYKIMRA-UHFFFAOYSA-N 1 0 411.470 0.403 20 0 HCADRO C[C@H](O)C[NH+]1CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000494475832 1077546406 /nfs/dbraw/zinc/54/64/06/1077546406.db2.gz NAPZMALLHLXJKT-KRWDZBQOSA-N 1 0 424.567 0.798 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1 ZINC000494476163 1077547110 /nfs/dbraw/zinc/54/71/10/1077547110.db2.gz UWZNNHJDUSYQQG-AEFFLSMTSA-N 1 0 407.536 0.673 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1 ZINC000494476165 1077546932 /nfs/dbraw/zinc/54/69/32/1077546932.db2.gz UWZNNHJDUSYQQG-FUHWJXTLSA-N 1 0 407.536 0.673 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1 ZINC000494476168 1077546957 /nfs/dbraw/zinc/54/69/57/1077546957.db2.gz UWZNNHJDUSYQQG-SJLPKXTDSA-N 1 0 407.536 0.673 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1 ZINC000494476170 1077547147 /nfs/dbraw/zinc/54/71/47/1077547147.db2.gz UWZNNHJDUSYQQG-WMZOPIPTSA-N 1 0 407.536 0.673 20 0 HCADRO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000494477602 1077547068 /nfs/dbraw/zinc/54/70/68/1077547068.db2.gz RDXUYTOUEKVBGS-DOTOQJQBSA-N 1 0 416.588 0.305 20 0 HCADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000494477605 1077547002 /nfs/dbraw/zinc/54/70/02/1077547002.db2.gz RDXUYTOUEKVBGS-NVXWUHKLSA-N 1 0 416.588 0.305 20 0 HCADRO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000494477606 1077547092 /nfs/dbraw/zinc/54/70/92/1077547092.db2.gz RDXUYTOUEKVBGS-RDJZCZTQSA-N 1 0 416.588 0.305 20 0 HCADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000494477608 1077547081 /nfs/dbraw/zinc/54/70/81/1077547081.db2.gz RDXUYTOUEKVBGS-WBVHZDCISA-N 1 0 416.588 0.305 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000494482486 1077548113 /nfs/dbraw/zinc/54/81/13/1077548113.db2.gz LLCVKHFTPYPPEP-HKUYNNGSSA-N 1 0 411.499 0.816 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000494482487 1077547960 /nfs/dbraw/zinc/54/79/60/1077547960.db2.gz LLCVKHFTPYPPEP-IEBWSBKVSA-N 1 0 411.499 0.816 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000494482488 1077548148 /nfs/dbraw/zinc/54/81/48/1077548148.db2.gz LLCVKHFTPYPPEP-MJGOQNOKSA-N 1 0 411.499 0.816 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000494482489 1077548095 /nfs/dbraw/zinc/54/80/95/1077548095.db2.gz LLCVKHFTPYPPEP-PKOBYXMFSA-N 1 0 411.499 0.816 20 0 HCADRO C[C@H](O)C[NH+]1CCN(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000494482803 1077548232 /nfs/dbraw/zinc/54/82/32/1077548232.db2.gz LYSQOXJHHPTBDA-KRWDZBQOSA-N 1 0 424.567 0.798 20 0 HCADRO C[C@H](O)C[NH+]1CCN(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000494483728 1077547995 /nfs/dbraw/zinc/54/79/95/1077547995.db2.gz IYMMHQMQUKUUMM-KRWDZBQOSA-N 1 0 413.540 0.085 20 0 HCADRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000494487597 1077548593 /nfs/dbraw/zinc/54/85/93/1077548593.db2.gz PUMBGOFZAIFILE-KRWDZBQOSA-N 1 0 401.485 0.303 20 0 HCADRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000494487598 1077548580 /nfs/dbraw/zinc/54/85/80/1077548580.db2.gz PUMBGOFZAIFILE-QGZVFWFLSA-N 1 0 401.485 0.303 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc(C(=O)N(C)CCO)cc2)C1 ZINC000494498378 1077549965 /nfs/dbraw/zinc/54/99/65/1077549965.db2.gz ZVOOYBUQELEJOS-IBGZPJMESA-N 1 0 407.511 0.603 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc(C(=O)N(C)CCO)cc2)C1 ZINC000494498379 1077550138 /nfs/dbraw/zinc/55/01/38/1077550138.db2.gz ZVOOYBUQELEJOS-LJQANCHMSA-N 1 0 407.511 0.603 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000494501791 1077550024 /nfs/dbraw/zinc/55/00/24/1077550024.db2.gz IMJLAYRXNRZRML-APWZRJJASA-N 1 0 411.499 0.816 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000494501792 1077549905 /nfs/dbraw/zinc/54/99/05/1077549905.db2.gz IMJLAYRXNRZRML-LPHOPBHVSA-N 1 0 411.499 0.816 20 0 HCADRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000494501793 1077550165 /nfs/dbraw/zinc/55/01/65/1077550165.db2.gz IMJLAYRXNRZRML-QFBILLFUSA-N 1 0 411.499 0.816 20 0 HCADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000494501794 1077550660 /nfs/dbraw/zinc/55/06/60/1077550660.db2.gz IMJLAYRXNRZRML-VQIMIIECSA-N 1 0 411.499 0.816 20 0 HCADRO CCS(=O)(=O)N1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000494504358 1077545778 /nfs/dbraw/zinc/54/57/78/1077545778.db2.gz BIUAWRYVGPIBQO-UHFFFAOYSA-N 1 0 409.552 0.998 20 0 HCADRO COCCN(C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494510674 1077553253 /nfs/dbraw/zinc/55/32/53/1077553253.db2.gz VTOFRVCSZDHTAB-PBHICJAKSA-N 1 0 423.514 0.324 20 0 HCADRO COCCN(C(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494510675 1077553095 /nfs/dbraw/zinc/55/30/95/1077553095.db2.gz VTOFRVCSZDHTAB-RHSMWYFYSA-N 1 0 423.514 0.324 20 0 HCADRO COCCN(C(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494510676 1077552973 /nfs/dbraw/zinc/55/29/73/1077552973.db2.gz VTOFRVCSZDHTAB-WMLDXEAASA-N 1 0 423.514 0.324 20 0 HCADRO COCCN(C(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494510679 1077553229 /nfs/dbraw/zinc/55/32/29/1077553229.db2.gz VTOFRVCSZDHTAB-YOEHRIQHSA-N 1 0 423.514 0.324 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2cccc(C(=O)NC[C@@H](C)O)c2)C1 ZINC000494514142 1077550467 /nfs/dbraw/zinc/55/04/67/1077550467.db2.gz VXIHSVCSFXWGBW-APWZRJJASA-N 1 0 407.511 0.649 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2cccc(C(=O)NC[C@H](C)O)c2)C1 ZINC000494514143 1077551001 /nfs/dbraw/zinc/55/10/01/1077551001.db2.gz VXIHSVCSFXWGBW-LPHOPBHVSA-N 1 0 407.511 0.649 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2cccc(C(=O)NC[C@H](C)O)c2)C1 ZINC000494514144 1077551072 /nfs/dbraw/zinc/55/10/72/1077551072.db2.gz VXIHSVCSFXWGBW-QFBILLFUSA-N 1 0 407.511 0.649 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2cccc(C(=O)NC[C@@H](C)O)c2)C1 ZINC000494514145 1077551167 /nfs/dbraw/zinc/55/11/67/1077551167.db2.gz VXIHSVCSFXWGBW-VQIMIIECSA-N 1 0 407.511 0.649 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000494515549 1077551267 /nfs/dbraw/zinc/55/12/67/1077551267.db2.gz QSDIXFQUXFBQAS-HNNXBMFYSA-N 1 0 402.517 0.385 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000494515550 1077551228 /nfs/dbraw/zinc/55/12/28/1077551228.db2.gz QSDIXFQUXFBQAS-OAHLLOKOSA-N 1 0 402.517 0.385 20 0 HCADRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000494518086 1077551574 /nfs/dbraw/zinc/55/15/74/1077551574.db2.gz GSUOKKOSGQTAOG-AWEZNQCLSA-N 1 0 414.528 0.483 20 0 HCADRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000494518087 1077551692 /nfs/dbraw/zinc/55/16/92/1077551692.db2.gz GSUOKKOSGQTAOG-CQSZACIVSA-N 1 0 414.528 0.483 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)C[C@@H]3CCOC3)CC2)cc1 ZINC000494534718 1077553690 /nfs/dbraw/zinc/55/36/90/1077553690.db2.gz YGQVXQUSAWOGQS-INIZCTEOSA-N 1 0 411.524 0.496 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)C[C@H]3CCOC3)CC2)cc1 ZINC000494534719 1077554080 /nfs/dbraw/zinc/55/40/80/1077554080.db2.gz YGQVXQUSAWOGQS-MRXNPFEDSA-N 1 0 411.524 0.496 20 0 HCADRO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCOC2)cc1S(=O)(=O)N1CCOCC1 ZINC000494534774 1077554191 /nfs/dbraw/zinc/55/41/91/1077554191.db2.gz VQQBQHGNOCJFEB-INIZCTEOSA-N 1 0 411.524 0.923 20 0 HCADRO Cc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCOC2)cc1S(=O)(=O)N1CCOCC1 ZINC000494534775 1077554339 /nfs/dbraw/zinc/55/43/39/1077554339.db2.gz VQQBQHGNOCJFEB-MRXNPFEDSA-N 1 0 411.524 0.923 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC000494543985 1077555733 /nfs/dbraw/zinc/55/57/33/1077555733.db2.gz SMBUQFNVCQULDM-HNNXBMFYSA-N 1 0 400.501 0.093 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)C[C@H]2CCOC2)CC1 ZINC000494543987 1077555811 /nfs/dbraw/zinc/55/58/11/1077555811.db2.gz SMBUQFNVCQULDM-OAHLLOKOSA-N 1 0 400.501 0.093 20 0 HCADRO O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494554370 1077560781 /nfs/dbraw/zinc/56/07/81/1077560781.db2.gz VRJOVLSUGAAIJC-AVRDEDQJSA-N 1 0 414.506 0.999 20 0 HCADRO O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494554374 1077560805 /nfs/dbraw/zinc/56/08/05/1077560805.db2.gz VRJOVLSUGAAIJC-GCJKJVERSA-N 1 0 414.506 0.999 20 0 HCADRO O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494554375 1077560726 /nfs/dbraw/zinc/56/07/26/1077560726.db2.gz VRJOVLSUGAAIJC-PGRDOPGGSA-N 1 0 414.506 0.999 20 0 HCADRO O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494554376 1077560567 /nfs/dbraw/zinc/56/05/67/1077560567.db2.gz VRJOVLSUGAAIJC-XMSQKQJNSA-N 1 0 414.506 0.999 20 0 HCADRO CN1CCC(CNC(=O)N2CCN(C(C)(C)C(N)=O)CC2)([NH+]2CCCCC2)CC1 ZINC000494556316 1077556709 /nfs/dbraw/zinc/55/67/09/1077556709.db2.gz DMUBAAHTRZCBFB-UHFFFAOYSA-N 1 0 408.591 0.528 20 0 HCADRO CN1CCC(CNC(=O)N2CCN(c3nc(N)ns3)CC2)([NH+]2CCCCC2)CC1 ZINC000494556964 1077556882 /nfs/dbraw/zinc/55/68/82/1077556882.db2.gz HCZYQQHFMPIKJN-UHFFFAOYSA-N 1 0 422.603 0.902 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)ccn2)CC1 ZINC000494566571 1077558919 /nfs/dbraw/zinc/55/89/19/1077558919.db2.gz QFRYARURWRDPTR-JOCHJYFZSA-N 1 0 422.489 0.818 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)ccn2)CC1 ZINC000494566576 1077558759 /nfs/dbraw/zinc/55/87/59/1077558759.db2.gz QFRYARURWRDPTR-QFIPXVFZSA-N 1 0 422.489 0.818 20 0 HCADRO C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@H]1CCOC1 ZINC000494573630 1077559469 /nfs/dbraw/zinc/55/94/69/1077559469.db2.gz GQZLPFVPJDLPNK-APWZRJJASA-N 1 0 403.479 0.466 20 0 HCADRO C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@@H]1CCOC1 ZINC000494573631 1077559734 /nfs/dbraw/zinc/55/97/34/1077559734.db2.gz GQZLPFVPJDLPNK-LPHOPBHVSA-N 1 0 403.479 0.466 20 0 HCADRO C[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C[C@@H]1CCOC1 ZINC000494573632 1077559985 /nfs/dbraw/zinc/55/99/85/1077559985.db2.gz GQZLPFVPJDLPNK-QFBILLFUSA-N 1 0 403.479 0.466 20 0 HCADRO C[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C[C@H]1CCOC1 ZINC000494573633 1077560126 /nfs/dbraw/zinc/56/01/26/1077560126.db2.gz GQZLPFVPJDLPNK-VQIMIIECSA-N 1 0 403.479 0.466 20 0 HCADRO C[C@@]1(c2cccc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)c2)NC(=O)NC1=O ZINC000494574883 1077560311 /nfs/dbraw/zinc/56/03/11/1077560311.db2.gz OKVJKWNJQLKSMP-NRFANRHFSA-N 1 0 400.479 0.926 20 0 HCADRO C[C@]1(c2cccc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)c2)NC(=O)NC1=O ZINC000494574884 1077560346 /nfs/dbraw/zinc/56/03/46/1077560346.db2.gz OKVJKWNJQLKSMP-OAQYLSRUSA-N 1 0 400.479 0.926 20 0 HCADRO COCCN(C(=O)C[N@H+](C)C[C@@H]1CCOC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494575332 1077560269 /nfs/dbraw/zinc/56/02/69/1077560269.db2.gz RBUYBMVIQKJQSN-AWEZNQCLSA-N 1 0 411.503 0.135 20 0 HCADRO COCCN(C(=O)C[N@H+](C)C[C@H]1CCOC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494575333 1077559933 /nfs/dbraw/zinc/55/99/33/1077559933.db2.gz RBUYBMVIQKJQSN-CQSZACIVSA-N 1 0 411.503 0.135 20 0 HCADRO COCCN(CCOC)S(=O)(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000494575557 1077560178 /nfs/dbraw/zinc/56/01/78/1077560178.db2.gz SFMQWYGBHXQEIX-IBGZPJMESA-N 1 0 415.556 0.395 20 0 HCADRO COCCN(CCOC)S(=O)(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000494575558 1077560040 /nfs/dbraw/zinc/56/00/40/1077560040.db2.gz SFMQWYGBHXQEIX-LJQANCHMSA-N 1 0 415.556 0.395 20 0 HCADRO CNC(=O)c1cc(S(=O)(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1C ZINC000494579579 1077561517 /nfs/dbraw/zinc/56/15/17/1077561517.db2.gz NGQATPFQPNQNDY-FQEVSTJZSA-N 1 0 420.535 0.642 20 0 HCADRO CNC(=O)c1cc(S(=O)(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1C ZINC000494579595 1077561649 /nfs/dbraw/zinc/56/16/49/1077561649.db2.gz NGQATPFQPNQNDY-HXUWFJFHSA-N 1 0 420.535 0.642 20 0 HCADRO CNC(=O)Cc1noc(CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC000494580276 1077562177 /nfs/dbraw/zinc/56/21/77/1077562177.db2.gz PFPCFIXNIHCCJO-KRWDZBQOSA-N 1 0 413.526 0.787 20 0 HCADRO CNC(=O)Cc1noc(CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC000494580277 1077562030 /nfs/dbraw/zinc/56/20/30/1077562030.db2.gz PFPCFIXNIHCCJO-QGZVFWFLSA-N 1 0 413.526 0.787 20 0 HCADRO C[C@@](O)(CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)CN1CCOCC1 ZINC000494583896 1077562655 /nfs/dbraw/zinc/56/26/55/1077562655.db2.gz LIHPOLPOFYROIQ-JOCHJYFZSA-N 1 0 405.539 0.704 20 0 HCADRO C[C@](O)(CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)CN1CCOCC1 ZINC000494583897 1077562293 /nfs/dbraw/zinc/56/22/93/1077562293.db2.gz LIHPOLPOFYROIQ-QFIPXVFZSA-N 1 0 405.539 0.704 20 0 HCADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCCN1CCOCC1 ZINC000494584089 1077562420 /nfs/dbraw/zinc/56/24/20/1077562420.db2.gz GRCHSFHZLNFLLH-FQEVSTJZSA-N 1 0 411.568 0.607 20 0 HCADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCCN1CCOCC1 ZINC000494584090 1077562351 /nfs/dbraw/zinc/56/23/51/1077562351.db2.gz GRCHSFHZLNFLLH-HXUWFJFHSA-N 1 0 411.568 0.607 20 0 HCADRO COCCn1cc(S(=O)(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000494585734 1077562585 /nfs/dbraw/zinc/56/25/85/1077562585.db2.gz KTVWMHDOXJFIRS-IBGZPJMESA-N 1 0 408.524 0.787 20 0 HCADRO COCCn1cc(S(=O)(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000494585739 1077562533 /nfs/dbraw/zinc/56/25/33/1077562533.db2.gz KTVWMHDOXJFIRS-LJQANCHMSA-N 1 0 408.524 0.787 20 0 HCADRO CC(C)(C(N)=O)N1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000494586000 1077562979 /nfs/dbraw/zinc/56/29/79/1077562979.db2.gz WBDFYXOCUNEZOZ-UHFFFAOYSA-N 1 0 402.539 0.913 20 0 HCADRO O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000494587089 1077561195 /nfs/dbraw/zinc/56/11/95/1077561195.db2.gz PCRDIMKGVASDBJ-HNNXBMFYSA-N 1 0 411.549 0.867 20 0 HCADRO O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000494587090 1077561124 /nfs/dbraw/zinc/56/11/24/1077561124.db2.gz PCRDIMKGVASDBJ-OAHLLOKOSA-N 1 0 411.549 0.867 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)c2)CC1 ZINC000494596528 1077569697 /nfs/dbraw/zinc/56/96/97/1077569697.db2.gz SNRGQNOUGNISCL-KRWDZBQOSA-N 1 0 408.524 0.066 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)c2)CC1 ZINC000494596533 1077569773 /nfs/dbraw/zinc/56/97/73/1077569773.db2.gz SNRGQNOUGNISCL-QGZVFWFLSA-N 1 0 408.524 0.066 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCNC(=O)c2c(F)cccc2F)C1 ZINC000494598475 1077570111 /nfs/dbraw/zinc/57/01/11/1077570111.db2.gz FIMPTBASEZAQDA-CYBMUJFWSA-N 1 0 411.453 0.581 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCNC(=O)c2c(F)cccc2F)C1 ZINC000494598478 1077570148 /nfs/dbraw/zinc/57/01/48/1077570148.db2.gz FIMPTBASEZAQDA-ZDUSSCGKSA-N 1 0 411.453 0.581 20 0 HCADRO COC(=O)Cn1cc(S(=O)(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000494602908 1077567576 /nfs/dbraw/zinc/56/75/76/1077567576.db2.gz KNKGBJSVABFHKK-IBGZPJMESA-N 1 0 422.507 0.314 20 0 HCADRO COC(=O)Cn1cc(S(=O)(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000494602909 1077567665 /nfs/dbraw/zinc/56/76/65/1077567665.db2.gz KNKGBJSVABFHKK-LJQANCHMSA-N 1 0 422.507 0.314 20 0 HCADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000494609646 1077571853 /nfs/dbraw/zinc/57/18/53/1077571853.db2.gz RQCPGPCOWOQAIM-IBGZPJMESA-N 1 0 406.508 0.382 20 0 HCADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000494609647 1077571919 /nfs/dbraw/zinc/57/19/19/1077571919.db2.gz RQCPGPCOWOQAIM-LJQANCHMSA-N 1 0 406.508 0.382 20 0 HCADRO CC(C)[C@H](CCO)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000494615058 1077571507 /nfs/dbraw/zinc/57/15/07/1077571507.db2.gz VIQXFPGKLQNJOI-IBGZPJMESA-N 1 0 406.527 0.775 20 0 HCADRO CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000494615064 1077571375 /nfs/dbraw/zinc/57/13/75/1077571375.db2.gz VIQXFPGKLQNJOI-LJQANCHMSA-N 1 0 406.527 0.775 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000494620404 1077573760 /nfs/dbraw/zinc/57/37/60/1077573760.db2.gz OAWJYCLBKPBSCW-GOSISDBHSA-N 1 0 422.551 0.456 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000494620405 1077573986 /nfs/dbraw/zinc/57/39/86/1077573986.db2.gz OAWJYCLBKPBSCW-SFHVURJKSA-N 1 0 422.551 0.456 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)c(C)c2)CC1 ZINC000494621085 1077574494 /nfs/dbraw/zinc/57/44/94/1077574494.db2.gz PXIBYSLMLXKXAN-INIZCTEOSA-N 1 0 422.551 0.769 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)c(C)c2)CC1 ZINC000494621086 1077574441 /nfs/dbraw/zinc/57/44/41/1077574441.db2.gz PXIBYSLMLXKXAN-MRXNPFEDSA-N 1 0 422.551 0.769 20 0 HCADRO C[NH+](C)CC1(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCCCC1 ZINC000494625781 1077574725 /nfs/dbraw/zinc/57/47/25/1077574725.db2.gz MDJWLQNSHJMERL-UHFFFAOYSA-N 1 0 402.561 0.220 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000494635096 1077576545 /nfs/dbraw/zinc/57/65/45/1077576545.db2.gz DXZFLFFQUZGHMP-CYBMUJFWSA-N 1 0 417.915 0.912 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000494635097 1077576749 /nfs/dbraw/zinc/57/67/49/1077576749.db2.gz DXZFLFFQUZGHMP-ZDUSSCGKSA-N 1 0 417.915 0.912 20 0 HCADRO CC(C)[C@H](CCO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000494635191 1077577107 /nfs/dbraw/zinc/57/71/07/1077577107.db2.gz FORJAMUVXSKXGD-KRWDZBQOSA-N 1 0 404.511 0.926 20 0 HCADRO CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000494635198 1077576999 /nfs/dbraw/zinc/57/69/99/1077576999.db2.gz FORJAMUVXSKXGD-QGZVFWFLSA-N 1 0 404.511 0.926 20 0 HCADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000494643181 1077578148 /nfs/dbraw/zinc/57/81/48/1077578148.db2.gz OCZZMJGSNRKWTN-HNNXBMFYSA-N 1 0 415.523 0.705 20 0 HCADRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000494643182 1077578075 /nfs/dbraw/zinc/57/80/75/1077578075.db2.gz OCZZMJGSNRKWTN-OAHLLOKOSA-N 1 0 415.523 0.705 20 0 HCADRO C[C@H]([NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cn[nH]c1 ZINC000494644610 1077578185 /nfs/dbraw/zinc/57/81/85/1077578185.db2.gz CVYHSFYVXNTRBA-AWEZNQCLSA-N 1 0 407.496 0.398 20 0 HCADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cn[nH]c1 ZINC000494644611 1077577941 /nfs/dbraw/zinc/57/79/41/1077577941.db2.gz CVYHSFYVXNTRBA-CQSZACIVSA-N 1 0 407.496 0.398 20 0 HCADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)c3cn[nH]c3)CC2)c1 ZINC000494649011 1077578644 /nfs/dbraw/zinc/57/86/44/1077578644.db2.gz MORTWMSDIUAXTJ-AWEZNQCLSA-N 1 0 419.507 0.796 20 0 HCADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](C)c3cn[nH]c3)CC2)c1 ZINC000494649272 1077578847 /nfs/dbraw/zinc/57/88/47/1077578847.db2.gz MORTWMSDIUAXTJ-CQSZACIVSA-N 1 0 419.507 0.796 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000494649542 1077578589 /nfs/dbraw/zinc/57/85/89/1077578589.db2.gz BLAFZVVTWSIKIH-AWEZNQCLSA-N 1 0 419.507 0.796 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000494649543 1077578463 /nfs/dbraw/zinc/57/84/63/1077578463.db2.gz BLAFZVVTWSIKIH-CQSZACIVSA-N 1 0 419.507 0.796 20 0 HCADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000494651882 1077575444 /nfs/dbraw/zinc/57/54/44/1077575444.db2.gz REMIOKGZOZOBQI-JYJNAYRXSA-N 1 0 416.565 0.874 20 0 HCADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000494651889 1077575296 /nfs/dbraw/zinc/57/52/96/1077575296.db2.gz REMIOKGZOZOBQI-OAGGEKHMSA-N 1 0 416.565 0.874 20 0 HCADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000494651891 1077575422 /nfs/dbraw/zinc/57/54/22/1077575422.db2.gz REMIOKGZOZOBQI-PMPSAXMXSA-N 1 0 416.565 0.874 20 0 HCADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000494651893 1077575226 /nfs/dbraw/zinc/57/52/26/1077575226.db2.gz REMIOKGZOZOBQI-XHSDSOJGSA-N 1 0 416.565 0.874 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)c(C)c2)CC1 ZINC000494652450 1077577696 /nfs/dbraw/zinc/57/76/96/1077577696.db2.gz IIRDUJOIGRJTAR-INIZCTEOSA-N 1 0 413.522 0.955 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)c(C)c2)CC1 ZINC000494652451 1077577652 /nfs/dbraw/zinc/57/76/52/1077577652.db2.gz IIRDUJOIGRJTAR-MRXNPFEDSA-N 1 0 413.522 0.955 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000494654022 1077585709 /nfs/dbraw/zinc/58/57/09/1077585709.db2.gz MEWMZKMCSLRVEZ-GOSISDBHSA-N 1 0 413.522 0.642 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000494654024 1077586085 /nfs/dbraw/zinc/58/60/85/1077586085.db2.gz MEWMZKMCSLRVEZ-SFHVURJKSA-N 1 0 413.522 0.642 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000494663039 1077580008 /nfs/dbraw/zinc/58/00/08/1077580008.db2.gz DEAPCJBHFDJLNP-GOSISDBHSA-N 1 0 417.558 0.493 20 0 HCADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000494663040 1077579980 /nfs/dbraw/zinc/57/99/80/1077579980.db2.gz DEAPCJBHFDJLNP-SFHVURJKSA-N 1 0 417.558 0.493 20 0 HCADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000494664153 1077580908 /nfs/dbraw/zinc/58/09/08/1077580908.db2.gz GQNYASSBDMWAHY-CABCVRRESA-N 1 0 401.554 0.011 20 0 HCADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000494664165 1077580839 /nfs/dbraw/zinc/58/08/39/1077580839.db2.gz GQNYASSBDMWAHY-GJZGRUSLSA-N 1 0 401.554 0.011 20 0 HCADRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000494664168 1077580857 /nfs/dbraw/zinc/58/08/57/1077580857.db2.gz GQNYASSBDMWAHY-HUUCEWRRSA-N 1 0 401.554 0.011 20 0 HCADRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000494664172 1077580926 /nfs/dbraw/zinc/58/09/26/1077580926.db2.gz GQNYASSBDMWAHY-LSDHHAIUSA-N 1 0 401.554 0.011 20 0 HCADRO C[C@H]([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cn[nH]c1 ZINC000494669449 1077582218 /nfs/dbraw/zinc/58/22/18/1077582218.db2.gz PHDMMQKDEXHNQU-AWEZNQCLSA-N 1 0 407.496 0.398 20 0 HCADRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cn[nH]c1 ZINC000494669450 1077582261 /nfs/dbraw/zinc/58/22/61/1077582261.db2.gz PHDMMQKDEXHNQU-CQSZACIVSA-N 1 0 407.496 0.398 20 0 HCADRO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1 ZINC000494670790 1077582281 /nfs/dbraw/zinc/58/22/81/1077582281.db2.gz UAEFJGYEEWSTBU-GOSISDBHSA-N 1 0 423.535 0.375 20 0 HCADRO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1 ZINC000494670792 1077582338 /nfs/dbraw/zinc/58/23/38/1077582338.db2.gz UAEFJGYEEWSTBU-SFHVURJKSA-N 1 0 423.535 0.375 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000494671621 1077582486 /nfs/dbraw/zinc/58/24/86/1077582486.db2.gz IWHFPTRYIXZGDW-HNNXBMFYSA-N 1 0 401.467 0.395 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000494671622 1077582545 /nfs/dbraw/zinc/58/25/45/1077582545.db2.gz IWHFPTRYIXZGDW-OAHLLOKOSA-N 1 0 401.467 0.395 20 0 HCADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000494672512 1077583614 /nfs/dbraw/zinc/58/36/14/1077583614.db2.gz MKMJZKPVRGUYBR-INIZCTEOSA-N 1 0 406.531 0.666 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000494672517 1077583456 /nfs/dbraw/zinc/58/34/56/1077583456.db2.gz MKMJZKPVRGUYBR-MRXNPFEDSA-N 1 0 406.531 0.666 20 0 HCADRO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000494672868 1077582922 /nfs/dbraw/zinc/58/29/22/1077582922.db2.gz INYTUBAKXQZEJS-HNNXBMFYSA-N 1 0 415.462 0.254 20 0 HCADRO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000494672869 1077583065 /nfs/dbraw/zinc/58/30/65/1077583065.db2.gz INYTUBAKXQZEJS-OAHLLOKOSA-N 1 0 415.462 0.254 20 0 HCADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000494673231 1077583948 /nfs/dbraw/zinc/58/39/48/1077583948.db2.gz PLOFIEJUGAYZDS-GOSISDBHSA-N 1 0 400.523 0.843 20 0 HCADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000494673233 1077583908 /nfs/dbraw/zinc/58/39/08/1077583908.db2.gz PLOFIEJUGAYZDS-SFHVURJKSA-N 1 0 400.523 0.843 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000494673263 1077584008 /nfs/dbraw/zinc/58/40/08/1077584008.db2.gz KKPMOHYDNLOKSJ-KRWDZBQOSA-N 1 0 409.575 0.872 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000494673265 1077583845 /nfs/dbraw/zinc/58/38/45/1077583845.db2.gz KKPMOHYDNLOKSJ-QGZVFWFLSA-N 1 0 409.575 0.872 20 0 HCADRO COCCN(C(=O)C[NH2+][C@H](C)c1cn[nH]c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494675675 1077584476 /nfs/dbraw/zinc/58/44/76/1077584476.db2.gz WAXMVYTYGQIMPX-GFCCVEGCSA-N 1 0 407.475 0.240 20 0 HCADRO COCCN(C(=O)C[NH2+][C@@H](C)c1cn[nH]c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494675676 1077584424 /nfs/dbraw/zinc/58/44/24/1077584424.db2.gz WAXMVYTYGQIMPX-LBPRGKRZSA-N 1 0 407.475 0.240 20 0 HCADRO C[C@H](O)CN1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000494677461 1077584737 /nfs/dbraw/zinc/58/47/37/1077584737.db2.gz ACWHZZNGFBQQFF-SFHVURJKSA-N 1 0 405.547 0.087 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H](CO)c1cccnc1 ZINC000494678557 1077584863 /nfs/dbraw/zinc/58/48/63/1077584863.db2.gz FKPXEVIOBFWMNG-IBGZPJMESA-N 1 0 413.526 0.849 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H](CO)c1cccnc1 ZINC000494678559 1077584915 /nfs/dbraw/zinc/58/49/15/1077584915.db2.gz FKPXEVIOBFWMNG-LJQANCHMSA-N 1 0 413.526 0.849 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000494681558 1077585236 /nfs/dbraw/zinc/58/52/36/1077585236.db2.gz LMDJXTRIDVJAKE-AWEZNQCLSA-N 1 0 407.496 0.602 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000494681561 1077585352 /nfs/dbraw/zinc/58/53/52/1077585352.db2.gz LMDJXTRIDVJAKE-CQSZACIVSA-N 1 0 407.496 0.602 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1C ZINC000494681817 1077585377 /nfs/dbraw/zinc/58/53/77/1077585377.db2.gz MTEVVGXQIGBNDA-GOSISDBHSA-N 1 0 407.536 0.593 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1C ZINC000494681818 1077585188 /nfs/dbraw/zinc/58/51/88/1077585188.db2.gz MTEVVGXQIGBNDA-SFHVURJKSA-N 1 0 407.536 0.593 20 0 HCADRO CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000494681967 1077584787 /nfs/dbraw/zinc/58/47/87/1077584787.db2.gz NLLCXQRFMYTQJI-GOSISDBHSA-N 1 0 404.511 0.846 20 0 HCADRO CC(C)[C@H](CCO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000494681968 1077584901 /nfs/dbraw/zinc/58/49/01/1077584901.db2.gz NLLCXQRFMYTQJI-SFHVURJKSA-N 1 0 404.511 0.846 20 0 HCADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000494682135 1077585808 /nfs/dbraw/zinc/58/58/08/1077585808.db2.gz XBOJDRIKQDNOGY-CVEARBPZSA-N 1 0 418.542 0.380 20 0 HCADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000494682139 1077585632 /nfs/dbraw/zinc/58/56/32/1077585632.db2.gz XBOJDRIKQDNOGY-HOTGVXAUSA-N 1 0 418.542 0.380 20 0 HCADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000494682140 1077585680 /nfs/dbraw/zinc/58/56/80/1077585680.db2.gz XBOJDRIKQDNOGY-HZPDHXFCSA-N 1 0 418.542 0.380 20 0 HCADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000494682142 1077585781 /nfs/dbraw/zinc/58/57/81/1077585781.db2.gz XBOJDRIKQDNOGY-JKSUJKDBSA-N 1 0 418.542 0.380 20 0 HCADRO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000494682693 1077585660 /nfs/dbraw/zinc/58/56/60/1077585660.db2.gz AVVHJFCRNNARLF-HNNXBMFYSA-N 1 0 404.467 0.760 20 0 HCADRO O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000494682694 1077585592 /nfs/dbraw/zinc/58/55/92/1077585592.db2.gz AVVHJFCRNNARLF-OAHLLOKOSA-N 1 0 404.467 0.760 20 0 HCADRO C[C@H](NC(=O)CNC(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000494683583 1077588323 /nfs/dbraw/zinc/58/83/23/1077588323.db2.gz FTNFXTVBEMCCOV-DLBZAZTESA-N 1 0 406.502 0.773 20 0 HCADRO C[C@@H](NC(=O)CNC(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000494683584 1077588346 /nfs/dbraw/zinc/58/83/46/1077588346.db2.gz FTNFXTVBEMCCOV-IAGOWNOFSA-N 1 0 406.502 0.773 20 0 HCADRO C[C@H](NC(=O)CNC(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000494683585 1077588096 /nfs/dbraw/zinc/58/80/96/1077588096.db2.gz FTNFXTVBEMCCOV-IRXDYDNUSA-N 1 0 406.502 0.773 20 0 HCADRO C[C@@H](NC(=O)CNC(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000494683586 1077588012 /nfs/dbraw/zinc/58/80/12/1077588012.db2.gz FTNFXTVBEMCCOV-SJORKVTESA-N 1 0 406.502 0.773 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1C ZINC000494684752 1077588267 /nfs/dbraw/zinc/58/82/67/1077588267.db2.gz GEDKUSBXDOOLFM-INIZCTEOSA-N 1 0 410.540 0.496 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)ccc1C ZINC000494684755 1077588385 /nfs/dbraw/zinc/58/83/85/1077588385.db2.gz GEDKUSBXDOOLFM-MRXNPFEDSA-N 1 0 410.540 0.496 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1 ZINC000494684848 1077588054 /nfs/dbraw/zinc/58/80/54/1077588054.db2.gz GOWIKWUIHWZECL-GDBMZVCRSA-N 1 0 420.518 0.614 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1 ZINC000494684863 1077588110 /nfs/dbraw/zinc/58/81/10/1077588110.db2.gz GOWIKWUIHWZECL-GOEBONIOSA-N 1 0 420.518 0.614 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1 ZINC000494684864 1077588140 /nfs/dbraw/zinc/58/81/40/1077588140.db2.gz GOWIKWUIHWZECL-HOCLYGCPSA-N 1 0 420.518 0.614 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1 ZINC000494684866 1077588175 /nfs/dbraw/zinc/58/81/75/1077588175.db2.gz GOWIKWUIHWZECL-ZBFHGGJFSA-N 1 0 420.518 0.614 20 0 HCADRO COc1ccc(CN2CCN(C(=O)CN3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)cc1 ZINC000494685132 1077588866 /nfs/dbraw/zinc/58/88/66/1077588866.db2.gz IEUHDGSSCFJCDA-NRFANRHFSA-N 1 0 416.566 0.994 20 0 HCADRO COc1ccc(CN2CCN(C(=O)CN3CC[NH+](C[C@H]4CCOC4)CC3)CC2)cc1 ZINC000494685133 1077588594 /nfs/dbraw/zinc/58/85/94/1077588594.db2.gz IEUHDGSSCFJCDA-OAQYLSRUSA-N 1 0 416.566 0.994 20 0 HCADRO COc1cc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ccc1OCC(N)=O ZINC000494685313 1077588927 /nfs/dbraw/zinc/58/89/27/1077588927.db2.gz NAQUMHVIXYPPDE-HNNXBMFYSA-N 1 0 420.510 0.954 20 0 HCADRO COc1cc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)ccc1OCC(N)=O ZINC000494685314 1077588951 /nfs/dbraw/zinc/58/89/51/1077588951.db2.gz NAQUMHVIXYPPDE-OAHLLOKOSA-N 1 0 420.510 0.954 20 0 HCADRO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1cn[nH]c1 ZINC000494685324 1077588659 /nfs/dbraw/zinc/58/86/59/1077588659.db2.gz JDSAAKITIWGWNF-GFCCVEGCSA-N 1 0 413.450 0.872 20 0 HCADRO C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1cn[nH]c1 ZINC000494685325 1077588751 /nfs/dbraw/zinc/58/87/51/1077588751.db2.gz JDSAAKITIWGWNF-LBPRGKRZSA-N 1 0 413.450 0.872 20 0 HCADRO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000494685404 1077588624 /nfs/dbraw/zinc/58/86/24/1077588624.db2.gz NEPVHIZMODKZAQ-GFCCVEGCSA-N 1 0 419.956 0.691 20 0 HCADRO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000494685405 1077588839 /nfs/dbraw/zinc/58/88/39/1077588839.db2.gz NEPVHIZMODKZAQ-LBPRGKRZSA-N 1 0 419.956 0.691 20 0 HCADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000494685659 1077588903 /nfs/dbraw/zinc/58/89/03/1077588903.db2.gz OKDFMAGOSNGGEZ-CABCVRRESA-N 1 0 405.499 0.802 20 0 HCADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000494685660 1077588708 /nfs/dbraw/zinc/58/87/08/1077588708.db2.gz OKDFMAGOSNGGEZ-GJZGRUSLSA-N 1 0 405.499 0.802 20 0 HCADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000494685661 1077588885 /nfs/dbraw/zinc/58/88/85/1077588885.db2.gz OKDFMAGOSNGGEZ-HUUCEWRRSA-N 1 0 405.499 0.802 20 0 HCADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000494685662 1077588735 /nfs/dbraw/zinc/58/87/35/1077588735.db2.gz OKDFMAGOSNGGEZ-LSDHHAIUSA-N 1 0 405.499 0.802 20 0 HCADRO COc1cc(C(=O)NCc2ccncc2OCC[NH+](C)C)sc1S(N)(=O)=O ZINC000494685867 1077588826 /nfs/dbraw/zinc/58/88/26/1077588826.db2.gz PFLLMLRUPLXDFJ-UHFFFAOYSA-N 1 0 414.509 0.670 20 0 HCADRO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494686053 1077588364 /nfs/dbraw/zinc/58/83/64/1077588364.db2.gz AXIUKAGWPOTHLG-DLBZAZTESA-N 1 0 424.567 0.918 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494686054 1077588677 /nfs/dbraw/zinc/58/86/77/1077588677.db2.gz AXIUKAGWPOTHLG-IAGOWNOFSA-N 1 0 424.567 0.918 20 0 HCADRO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494686055 1077588983 /nfs/dbraw/zinc/58/89/83/1077588983.db2.gz AXIUKAGWPOTHLG-IRXDYDNUSA-N 1 0 424.567 0.918 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494686056 1077588805 /nfs/dbraw/zinc/58/88/05/1077588805.db2.gz AXIUKAGWPOTHLG-SJORKVTESA-N 1 0 424.567 0.918 20 0 HCADRO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCc2ccncc2OCC[NH+](C)C)c1 ZINC000494687368 1077589486 /nfs/dbraw/zinc/58/94/86/1077589486.db2.gz QSINMGYLPFJYTF-UHFFFAOYSA-N 1 0 409.512 0.967 20 0 HCADRO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000494688500 1077589266 /nfs/dbraw/zinc/58/92/66/1077589266.db2.gz XSWHATDXZZCERC-IBGZPJMESA-N 1 0 419.547 0.465 20 0 HCADRO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000494688501 1077589450 /nfs/dbraw/zinc/58/94/50/1077589450.db2.gz XSWHATDXZZCERC-LJQANCHMSA-N 1 0 419.547 0.465 20 0 HCADRO COc1cc(OC)c(CNC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(OC)c1 ZINC000494689223 1077589390 /nfs/dbraw/zinc/58/93/90/1077589390.db2.gz JSOZBXWESXAVSY-INIZCTEOSA-N 1 0 407.511 0.983 20 0 HCADRO COc1cc(OC)c(CNC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)c(OC)c1 ZINC000494689224 1077589318 /nfs/dbraw/zinc/58/93/18/1077589318.db2.gz JSOZBXWESXAVSY-MRXNPFEDSA-N 1 0 407.511 0.983 20 0 HCADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C4(CC4)C3)CC2)c1 ZINC000494691108 1077589812 /nfs/dbraw/zinc/58/98/12/1077589812.db2.gz RKXVTEGLFBHHLM-GOSISDBHSA-N 1 0 421.519 0.179 20 0 HCADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](O)C4(CC4)C3)CC2)c1 ZINC000494691109 1077590011 /nfs/dbraw/zinc/59/00/11/1077590011.db2.gz RKXVTEGLFBHHLM-SFHVURJKSA-N 1 0 421.519 0.179 20 0 HCADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000494693709 1077590428 /nfs/dbraw/zinc/59/04/28/1077590428.db2.gz ZAMCFQJNWXRVJZ-KRWDZBQOSA-N 1 0 413.526 0.903 20 0 HCADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000494693710 1077590380 /nfs/dbraw/zinc/59/03/80/1077590380.db2.gz ZAMCFQJNWXRVJZ-QGZVFWFLSA-N 1 0 413.526 0.903 20 0 HCADRO C[C@@H](O)CN1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000494694485 1077590583 /nfs/dbraw/zinc/59/05/83/1077590583.db2.gz ACWHZZNGFBQQFF-GOSISDBHSA-N 1 0 405.547 0.087 20 0 HCADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494695368 1077590483 /nfs/dbraw/zinc/59/04/83/1077590483.db2.gz PRDSSYPELLLFPL-IBGZPJMESA-N 1 0 416.522 0.358 20 0 HCADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494695369 1077590646 /nfs/dbraw/zinc/59/06/46/1077590646.db2.gz PRDSSYPELLLFPL-LJQANCHMSA-N 1 0 416.522 0.358 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)NCC2(O)CCS(=O)(=O)CC2)cc1 ZINC000494695545 1077590458 /nfs/dbraw/zinc/59/04/58/1077590458.db2.gz DKOPDGQEYWSBTE-UHFFFAOYSA-N 1 0 413.540 0.408 20 0 HCADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000494696128 1077590615 /nfs/dbraw/zinc/59/06/15/1077590615.db2.gz WYLRKXAUHJZKAZ-CXAGYDPISA-N 1 0 407.490 0.525 20 0 HCADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000494696129 1077590542 /nfs/dbraw/zinc/59/05/42/1077590542.db2.gz WYLRKXAUHJZKAZ-DYVFJYSZSA-N 1 0 407.490 0.525 20 0 HCADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000494696130 1077590514 /nfs/dbraw/zinc/59/05/14/1077590514.db2.gz WYLRKXAUHJZKAZ-GUYCJALGSA-N 1 0 407.490 0.525 20 0 HCADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000494696131 1077591015 /nfs/dbraw/zinc/59/10/15/1077591015.db2.gz WYLRKXAUHJZKAZ-SUMWQHHRSA-N 1 0 407.490 0.525 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCNC(=O)c2c(F)cccc2F)CC1 ZINC000494698899 1077590770 /nfs/dbraw/zinc/59/07/70/1077590770.db2.gz XYULTVVRHAYZKD-UHFFFAOYSA-N 1 0 423.464 0.644 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000494703359 1077586758 /nfs/dbraw/zinc/58/67/58/1077586758.db2.gz MNEVGWNTJYWLTN-KRWDZBQOSA-N 1 0 416.588 0.151 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000494703360 1077586519 /nfs/dbraw/zinc/58/65/19/1077586519.db2.gz MNEVGWNTJYWLTN-QGZVFWFLSA-N 1 0 416.588 0.151 20 0 HCADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494703413 1077586615 /nfs/dbraw/zinc/58/66/15/1077586615.db2.gz MWNWQSHMRJIKKD-CVEARBPZSA-N 1 0 422.551 0.266 20 0 HCADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494703414 1077586634 /nfs/dbraw/zinc/58/66/34/1077586634.db2.gz MWNWQSHMRJIKKD-HOTGVXAUSA-N 1 0 422.551 0.266 20 0 HCADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494703415 1077586437 /nfs/dbraw/zinc/58/64/37/1077586437.db2.gz MWNWQSHMRJIKKD-HZPDHXFCSA-N 1 0 422.551 0.266 20 0 HCADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494703416 1077586549 /nfs/dbraw/zinc/58/65/49/1077586549.db2.gz MWNWQSHMRJIKKD-JKSUJKDBSA-N 1 0 422.551 0.266 20 0 HCADRO Cc1ccc(NC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1S(=O)(=O)N(C)C ZINC000494703417 1077586772 /nfs/dbraw/zinc/58/67/72/1077586772.db2.gz MXBDEMVWKQTBPC-KRWDZBQOSA-N 1 0 424.567 0.838 20 0 HCADRO Cc1ccc(NC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1S(=O)(=O)N(C)C ZINC000494703418 1077586460 /nfs/dbraw/zinc/58/64/60/1077586460.db2.gz MXBDEMVWKQTBPC-QGZVFWFLSA-N 1 0 424.567 0.838 20 0 HCADRO CC(C)[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000494703765 1077591925 /nfs/dbraw/zinc/59/19/25/1077591925.db2.gz OGKLWXMXIVSGMV-CYBMUJFWSA-N 1 0 407.456 0.868 20 0 HCADRO CC(C)[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000494703766 1077591973 /nfs/dbraw/zinc/59/19/73/1077591973.db2.gz OGKLWXMXIVSGMV-ZDUSSCGKSA-N 1 0 407.456 0.868 20 0 HCADRO COC(=O)c1cc(NC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc(C(=O)OC)c1 ZINC000494704619 1077587294 /nfs/dbraw/zinc/58/72/94/1077587294.db2.gz SUKYBUWYGBCYAX-HNNXBMFYSA-N 1 0 419.478 0.852 20 0 HCADRO COC(=O)c1cc(NC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)cc(C(=O)OC)c1 ZINC000494704620 1077587181 /nfs/dbraw/zinc/58/71/81/1077587181.db2.gz SUKYBUWYGBCYAX-OAHLLOKOSA-N 1 0 419.478 0.852 20 0 HCADRO CCN(CC(=O)NCc1cccs1)C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494704867 1077587160 /nfs/dbraw/zinc/58/71/60/1077587160.db2.gz UOKFJXRFJSLENW-KRWDZBQOSA-N 1 0 408.568 0.867 20 0 HCADRO CCN(CC(=O)NCc1cccs1)C(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494704869 1077587011 /nfs/dbraw/zinc/58/70/11/1077587011.db2.gz UOKFJXRFJSLENW-QGZVFWFLSA-N 1 0 408.568 0.867 20 0 HCADRO COc1ccccc1N(CCC(N)=O)C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494706217 1077587919 /nfs/dbraw/zinc/58/79/19/1077587919.db2.gz AKLVGJQUEPVHBP-KRWDZBQOSA-N 1 0 404.511 0.558 20 0 HCADRO COc1ccccc1N(CCC(N)=O)C(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494706218 1077588285 /nfs/dbraw/zinc/58/82/85/1077588285.db2.gz AKLVGJQUEPVHBP-QGZVFWFLSA-N 1 0 404.511 0.558 20 0 HCADRO COc1cccc(NC(=O)CN(C)C(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000494707898 1077587253 /nfs/dbraw/zinc/58/72/53/1077587253.db2.gz HYBVTTXCRZPSRE-KRWDZBQOSA-N 1 0 404.511 0.746 20 0 HCADRO COc1cccc(NC(=O)CN(C)C(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000494707899 1077587027 /nfs/dbraw/zinc/58/70/27/1077587027.db2.gz HYBVTTXCRZPSRE-QGZVFWFLSA-N 1 0 404.511 0.746 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000494714137 1077597554 /nfs/dbraw/zinc/59/75/54/1077597554.db2.gz ZDNSZVNSUVETDK-OAHLLOKOSA-N 1 0 410.540 0.989 20 0 HCADRO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000494714954 1077596843 /nfs/dbraw/zinc/59/68/43/1077596843.db2.gz ZVGXBKPQONRTEV-INIZCTEOSA-N 1 0 413.927 0.630 20 0 HCADRO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000494714955 1077596619 /nfs/dbraw/zinc/59/66/19/1077596619.db2.gz ZVGXBKPQONRTEV-MRXNPFEDSA-N 1 0 413.927 0.630 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1 ZINC000494714972 1077596883 /nfs/dbraw/zinc/59/68/83/1077596883.db2.gz ZXHBEGDBWYVSHS-GOSISDBHSA-N 1 0 421.519 0.179 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1 ZINC000494714973 1077596527 /nfs/dbraw/zinc/59/65/27/1077596527.db2.gz ZXHBEGDBWYVSHS-SFHVURJKSA-N 1 0 421.519 0.179 20 0 HCADRO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)NCc1ccccc1CN1CCOCC1 ZINC000494717653 1077597932 /nfs/dbraw/zinc/59/79/32/1077597932.db2.gz KBGOLAQNNFAFFY-FQEVSTJZSA-N 1 0 416.566 0.789 20 0 HCADRO O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)NCc1ccccc1CN1CCOCC1 ZINC000494717654 1077598013 /nfs/dbraw/zinc/59/80/13/1077598013.db2.gz KBGOLAQNNFAFFY-HXUWFJFHSA-N 1 0 416.566 0.789 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000494717774 1077597368 /nfs/dbraw/zinc/59/73/68/1077597368.db2.gz GFNHWADJLCHLIZ-IBGZPJMESA-N 1 0 408.568 0.912 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000494717775 1077597203 /nfs/dbraw/zinc/59/72/03/1077597203.db2.gz GFNHWADJLCHLIZ-LJQANCHMSA-N 1 0 408.568 0.912 20 0 HCADRO COc1ccc(C)cc1NC(=O)CNC(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494717843 1077597734 /nfs/dbraw/zinc/59/77/34/1077597734.db2.gz LLAXGHQYHJFPLQ-KRWDZBQOSA-N 1 0 404.511 0.712 20 0 HCADRO COc1ccc(C)cc1NC(=O)CNC(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494717844 1077597684 /nfs/dbraw/zinc/59/76/84/1077597684.db2.gz LLAXGHQYHJFPLQ-QGZVFWFLSA-N 1 0 404.511 0.712 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000494724985 1077596233 /nfs/dbraw/zinc/59/62/33/1077596233.db2.gz CYCJUIFCWVWWGK-INIZCTEOSA-N 1 0 410.540 0.530 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000494724987 1077595954 /nfs/dbraw/zinc/59/59/54/1077595954.db2.gz CYCJUIFCWVWWGK-MRXNPFEDSA-N 1 0 410.540 0.530 20 0 HCADRO COc1cc(CNC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc(OC)c1OC ZINC000494728994 1077598827 /nfs/dbraw/zinc/59/88/27/1077598827.db2.gz MLBMPFYYCURHFZ-INIZCTEOSA-N 1 0 407.511 0.983 20 0 HCADRO COc1cc(CNC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)cc(OC)c1OC ZINC000494728996 1077598880 /nfs/dbraw/zinc/59/88/80/1077598880.db2.gz MLBMPFYYCURHFZ-MRXNPFEDSA-N 1 0 407.511 0.983 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494731734 1077599265 /nfs/dbraw/zinc/59/92/65/1077599265.db2.gz VTOZTBWJKYPCAF-NEWSRXKRSA-N 1 0 408.568 0.779 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494731735 1077599616 /nfs/dbraw/zinc/59/96/16/1077599616.db2.gz VTOZTBWJKYPCAF-QRQLOZEOSA-N 1 0 408.568 0.779 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494731736 1077599448 /nfs/dbraw/zinc/59/94/48/1077599448.db2.gz VTOZTBWJKYPCAF-UHOSZYNNSA-N 1 0 408.568 0.779 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494731737 1077599115 /nfs/dbraw/zinc/59/91/15/1077599115.db2.gz VTOZTBWJKYPCAF-WDSOQIARSA-N 1 0 408.568 0.779 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000494733648 1077600339 /nfs/dbraw/zinc/60/03/39/1077600339.db2.gz CBWNTWMLSZMEHF-AWEZNQCLSA-N 1 0 405.542 0.329 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000494733649 1077600102 /nfs/dbraw/zinc/60/01/02/1077600102.db2.gz CBWNTWMLSZMEHF-CQSZACIVSA-N 1 0 405.542 0.329 20 0 HCADRO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000494734677 1077601071 /nfs/dbraw/zinc/60/10/71/1077601071.db2.gz HNRJQRLUGMFNND-KRWDZBQOSA-N 1 0 406.552 0.687 20 0 HCADRO O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000494734678 1077600764 /nfs/dbraw/zinc/60/07/64/1077600764.db2.gz HNRJQRLUGMFNND-QGZVFWFLSA-N 1 0 406.552 0.687 20 0 HCADRO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494735133 1077601021 /nfs/dbraw/zinc/60/10/21/1077601021.db2.gz MOQFLACUPLFSOQ-MSOLQXFVSA-N 1 0 404.511 0.607 20 0 HCADRO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494735134 1077601158 /nfs/dbraw/zinc/60/11/58/1077601158.db2.gz MOQFLACUPLFSOQ-QZTJIDSGSA-N 1 0 404.511 0.607 20 0 HCADRO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494735135 1077600797 /nfs/dbraw/zinc/60/07/97/1077600797.db2.gz MOQFLACUPLFSOQ-ROUUACIJSA-N 1 0 404.511 0.607 20 0 HCADRO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494735136 1077600681 /nfs/dbraw/zinc/60/06/81/1077600681.db2.gz MOQFLACUPLFSOQ-ZWKOTPCHSA-N 1 0 404.511 0.607 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000494735279 1077598475 /nfs/dbraw/zinc/59/84/75/1077598475.db2.gz KCPDCMWICSIXLX-GFCCVEGCSA-N 1 0 402.904 0.781 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000494735280 1077598387 /nfs/dbraw/zinc/59/83/87/1077598387.db2.gz KCPDCMWICSIXLX-LBPRGKRZSA-N 1 0 402.904 0.781 20 0 HCADRO COc1cc(OC)c(OC)cc1CNC(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494736102 1077601642 /nfs/dbraw/zinc/60/16/42/1077601642.db2.gz QQMCGYFZLLGLCX-INIZCTEOSA-N 1 0 407.511 0.983 20 0 HCADRO COc1cc(OC)c(OC)cc1CNC(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494736104 1077601966 /nfs/dbraw/zinc/60/19/66/1077601966.db2.gz QQMCGYFZLLGLCX-MRXNPFEDSA-N 1 0 407.511 0.983 20 0 HCADRO CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000494737048 1077604865 /nfs/dbraw/zinc/60/48/65/1077604865.db2.gz QRKJZTXFVWSHOD-HNNXBMFYSA-N 1 0 406.512 0.220 20 0 HCADRO CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000494737054 1077604616 /nfs/dbraw/zinc/60/46/16/1077604616.db2.gz QRKJZTXFVWSHOD-OAHLLOKOSA-N 1 0 406.512 0.220 20 0 HCADRO CCCCn1c2nc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)n(C)c2c(=O)[nH]c1=O ZINC000494737904 1077602494 /nfs/dbraw/zinc/60/24/94/1077602494.db2.gz WVEPDRKYPYJURP-HNNXBMFYSA-N 1 0 404.515 0.790 20 0 HCADRO CCCCn1c2nc(CN3CC[NH+](C[C@H]4CCOC4)CC3)n(C)c2c(=O)[nH]c1=O ZINC000494737905 1077602430 /nfs/dbraw/zinc/60/24/30/1077602430.db2.gz WVEPDRKYPYJURP-OAHLLOKOSA-N 1 0 404.515 0.790 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752716 1077610633 /nfs/dbraw/zinc/61/06/33/1077610633.db2.gz LMGKTKHSWQUHDD-GOSISDBHSA-N 1 0 412.531 0.878 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752717 1077610278 /nfs/dbraw/zinc/61/02/78/1077610278.db2.gz LMGKTKHSWQUHDD-SFHVURJKSA-N 1 0 412.531 0.878 20 0 HCADRO Cn1c(=O)c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(O)c3)nc2n(C)c1=O ZINC000494777047 1077622606 /nfs/dbraw/zinc/62/26/06/1077622606.db2.gz ISJGPGNPHVXREQ-UHFFFAOYSA-N 1 0 411.462 0.542 20 0 HCADRO Cn1c(=O)c2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(O)c3)cnc2n(C)c1=O ZINC000494784800 1077626779 /nfs/dbraw/zinc/62/67/79/1077626779.db2.gz ZDVIVZKYLIQIBA-UHFFFAOYSA-N 1 0 411.462 0.542 20 0 HCADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN[C@@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000494805479 1077641294 /nfs/dbraw/zinc/64/12/94/1077641294.db2.gz TZELVWRTCKTEON-FQEVSTJZSA-N 1 0 401.511 0.786 20 0 HCADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN[C@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000494805480 1077641045 /nfs/dbraw/zinc/64/10/45/1077641045.db2.gz TZELVWRTCKTEON-HXUWFJFHSA-N 1 0 401.511 0.786 20 0 HCADRO O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494823376 1077649911 /nfs/dbraw/zinc/64/99/11/1077649911.db2.gz MRELIBQCUKPHSH-INIZCTEOSA-N 1 0 401.467 0.924 20 0 HCADRO O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494823377 1077650033 /nfs/dbraw/zinc/65/00/33/1077650033.db2.gz MRELIBQCUKPHSH-MRXNPFEDSA-N 1 0 401.467 0.924 20 0 HCADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000494824652 1077650438 /nfs/dbraw/zinc/65/04/38/1077650438.db2.gz MDDXADHSRGVBBQ-UHFFFAOYSA-N 1 0 424.473 0.321 20 0 HCADRO O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000494825922 1077649329 /nfs/dbraw/zinc/64/93/29/1077649329.db2.gz WZSOJSSGCMNOKB-INIZCTEOSA-N 1 0 416.453 0.709 20 0 HCADRO O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000494825923 1077649454 /nfs/dbraw/zinc/64/94/54/1077649454.db2.gz WZSOJSSGCMNOKB-MRXNPFEDSA-N 1 0 416.453 0.709 20 0 HCADRO O=C(Nc1cc2c(cc1F)NC(=O)CC2)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000494829174 1077650451 /nfs/dbraw/zinc/65/04/51/1077650451.db2.gz LFVBJLCBDSRYGL-CYBMUJFWSA-N 1 0 404.442 0.830 20 0 HCADRO O=C(Nc1cc2c(cc1F)NC(=O)CC2)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000494829175 1077650414 /nfs/dbraw/zinc/65/04/14/1077650414.db2.gz LFVBJLCBDSRYGL-ZDUSSCGKSA-N 1 0 404.442 0.830 20 0 HCADRO CCOc1cc2c(cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000494830354 1077652221 /nfs/dbraw/zinc/65/22/21/1077652221.db2.gz TVQWMVYDRBSKKT-HNNXBMFYSA-N 1 0 419.478 0.976 20 0 HCADRO CCOc1cc2c(cc1NC(=O)C(=O)N1CC[C@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000494830355 1077652100 /nfs/dbraw/zinc/65/21/00/1077652100.db2.gz TVQWMVYDRBSKKT-OAHLLOKOSA-N 1 0 419.478 0.976 20 0 HCADRO CCCN(CC[NH+]1CCCCCC1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000494838017 1077655619 /nfs/dbraw/zinc/65/56/19/1077655619.db2.gz MPMNIHKHEKUKSC-UHFFFAOYSA-N 1 0 413.544 0.507 20 0 HCADRO COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc21 ZINC000494839623 1077656646 /nfs/dbraw/zinc/65/66/46/1077656646.db2.gz XZVFYVBEUCCGRI-SJORKVTESA-N 1 0 400.479 0.856 20 0 HCADRO CN1CCN(c2ncc(C[NH2+]C3CCN(S(=O)(=O)C(C)(C)C)CC3)cn2)CC1 ZINC000494840989 1077657020 /nfs/dbraw/zinc/65/70/20/1077657020.db2.gz XCJLQUPDPHOWQL-UHFFFAOYSA-N 1 0 410.588 0.911 20 0 HCADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000494841011 1077657236 /nfs/dbraw/zinc/65/72/36/1077657236.db2.gz XIARSCXYJNSSEQ-UHFFFAOYSA-N 1 0 407.540 0.838 20 0 HCADRO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)cnc21 ZINC000494842398 1077658231 /nfs/dbraw/zinc/65/82/31/1077658231.db2.gz OKIYXWHUNHGFPB-UHFFFAOYSA-N 1 0 404.515 0.863 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)C1 ZINC000494843250 1077657652 /nfs/dbraw/zinc/65/76/52/1077657652.db2.gz ZAHWLCVWYREZAL-HNNXBMFYSA-N 1 0 402.495 0.961 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)C1 ZINC000494843251 1077658152 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/nfs/dbraw/zinc/67/75/57/1077677557.db2.gz WCSFKWUBGOBOOB-UHFFFAOYSA-N 1 0 422.551 0.650 20 0 HCADRO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1=O ZINC000494928832 1077677982 /nfs/dbraw/zinc/67/79/82/1077677982.db2.gz HTDFJJXJKOCJNB-AQOAWAETSA-N 1 0 414.506 0.706 20 0 HCADRO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1=O ZINC000494928837 1077678003 /nfs/dbraw/zinc/67/80/03/1077678003.db2.gz HTDFJJXJKOCJNB-RADWXHQJSA-N 1 0 414.506 0.706 20 0 HCADRO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1=O ZINC000494928838 1077677990 /nfs/dbraw/zinc/67/79/90/1077677990.db2.gz HTDFJJXJKOCJNB-SGXKBVARSA-N 1 0 414.506 0.706 20 0 HCADRO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1=O ZINC000494928839 1077678047 /nfs/dbraw/zinc/67/80/47/1077678047.db2.gz HTDFJJXJKOCJNB-TVTNDZMWSA-N 1 0 414.506 0.706 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)cn2)CC1 ZINC000494932600 1077674736 /nfs/dbraw/zinc/67/47/36/1077674736.db2.gz QQOGERDGEYLUBE-JOCHJYFZSA-N 1 0 422.489 0.818 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)cn2)CC1 ZINC000494932601 1077674577 /nfs/dbraw/zinc/67/45/77/1077674577.db2.gz QQOGERDGEYLUBE-QFIPXVFZSA-N 1 0 422.489 0.818 20 0 HCADRO CNC(=O)CCOC1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000494937795 1077680934 /nfs/dbraw/zinc/68/09/34/1077680934.db2.gz FXYQSHVNAKTJJP-UHFFFAOYSA-N 1 0 424.586 0.755 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)N[C@H]1C[N@H+](Cc3ccccc3)CC[C@@H]1CO)c2=O ZINC000494941444 1077682610 /nfs/dbraw/zinc/68/26/10/1077682610.db2.gz OGDDEYBAYAOZAV-AEFFLSMTSA-N 1 0 410.478 0.129 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)N[C@@H]1C[N@H+](Cc3ccccc3)CC[C@H]1CO)c2=O ZINC000494941445 1077682501 /nfs/dbraw/zinc/68/25/01/1077682501.db2.gz OGDDEYBAYAOZAV-FUHWJXTLSA-N 1 0 410.478 0.129 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)N[C@@H]1C[N@H+](Cc3ccccc3)CC[C@@H]1CO)c2=O ZINC000494941446 1077682435 /nfs/dbraw/zinc/68/24/35/1077682435.db2.gz OGDDEYBAYAOZAV-SJLPKXTDSA-N 1 0 410.478 0.129 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)N[C@H]1C[N@H+](Cc3ccccc3)CC[C@H]1CO)c2=O ZINC000494941447 1077682561 /nfs/dbraw/zinc/68/25/61/1077682561.db2.gz OGDDEYBAYAOZAV-WMZOPIPTSA-N 1 0 410.478 0.129 20 0 HCADRO CS(=O)(=O)N1CCC(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000494941562 1077682627 /nfs/dbraw/zinc/68/26/27/1077682627.db2.gz XTQWJKBPEXPEAL-MOPGFXCFSA-N 1 0 409.552 0.657 20 0 HCADRO CS(=O)(=O)N1CCC(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000494941563 1077682458 /nfs/dbraw/zinc/68/24/58/1077682458.db2.gz XTQWJKBPEXPEAL-OALUTQOASA-N 1 0 409.552 0.657 20 0 HCADRO CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000494941564 1077682521 /nfs/dbraw/zinc/68/25/21/1077682521.db2.gz XTQWJKBPEXPEAL-RBUKOAKNSA-N 1 0 409.552 0.657 20 0 HCADRO CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000494941566 1077682538 /nfs/dbraw/zinc/68/25/38/1077682538.db2.gz XTQWJKBPEXPEAL-RTBURBONSA-N 1 0 409.552 0.657 20 0 HCADRO C[C@@]1(c2cccc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000494947637 1077679976 /nfs/dbraw/zinc/67/99/76/1077679976.db2.gz ALFRMONSKAVBOG-BTYIYWSLSA-N 1 0 400.479 0.926 20 0 HCADRO C[C@]1(c2cccc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000494947638 1077679936 /nfs/dbraw/zinc/67/99/36/1077679936.db2.gz ALFRMONSKAVBOG-QVKFZJNVSA-N 1 0 400.479 0.926 20 0 HCADRO C[C@@]1(c2cccc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000494947639 1077680042 /nfs/dbraw/zinc/68/00/42/1077680042.db2.gz ALFRMONSKAVBOG-VFNWGFHPSA-N 1 0 400.479 0.926 20 0 HCADRO C[C@]1(c2cccc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000494947640 1077679986 /nfs/dbraw/zinc/67/99/86/1077679986.db2.gz ALFRMONSKAVBOG-YCRPNKLZSA-N 1 0 400.479 0.926 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000494950339 1077685517 /nfs/dbraw/zinc/68/55/17/1077685517.db2.gz FYJASOYUIRFPHH-NRFANRHFSA-N 1 0 415.494 0.414 20 0 HCADRO 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GJUFKVJJFOCDET-ZWKOTPCHSA-N 1 0 401.511 0.756 20 0 HCADRO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000495089905 1077737061 /nfs/dbraw/zinc/73/70/61/1077737061.db2.gz YXDGPFLLLSVVLQ-FXAWDEMLSA-N 1 0 401.507 0.767 20 0 HCADRO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000495089906 1077736976 /nfs/dbraw/zinc/73/69/76/1077736976.db2.gz YXDGPFLLLSVVLQ-PXNSSMCTSA-N 1 0 401.507 0.767 20 0 HCADRO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000495089907 1077737101 /nfs/dbraw/zinc/73/71/01/1077737101.db2.gz YXDGPFLLLSVVLQ-XLIONFOSSA-N 1 0 401.507 0.767 20 0 HCADRO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000495089908 1077737398 /nfs/dbraw/zinc/73/73/98/1077737398.db2.gz YXDGPFLLLSVVLQ-YLJYHZDGSA-N 1 0 401.507 0.767 20 0 HCADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3ccncc3OCCC[NH+](C)C)cnc21 ZINC000495094592 1077738295 /nfs/dbraw/zinc/73/82/95/1077738295.db2.gz RHNYMSDATMUQJZ-UHFFFAOYSA-N 1 0 412.450 0.690 20 0 HCADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000495096569 1077738574 /nfs/dbraw/zinc/73/85/74/1077738574.db2.gz BQDLRAVIVCAXSW-KRWDZBQOSA-N 1 0 424.571 0.224 20 0 HCADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000495096570 1077738607 /nfs/dbraw/zinc/73/86/07/1077738607.db2.gz BQDLRAVIVCAXSW-QGZVFWFLSA-N 1 0 424.571 0.224 20 0 HCADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000495096996 1077738495 /nfs/dbraw/zinc/73/84/95/1077738495.db2.gz DSISLBTYESFLKP-INIZCTEOSA-N 1 0 424.571 0.224 20 0 HCADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000495096997 1077738682 /nfs/dbraw/zinc/73/86/82/1077738682.db2.gz DSISLBTYESFLKP-MRXNPFEDSA-N 1 0 424.571 0.224 20 0 HCADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000495097346 1077738667 /nfs/dbraw/zinc/73/86/67/1077738667.db2.gz GCWCKWGFLIEMKA-UHFFFAOYSA-N 1 0 409.512 0.257 20 0 HCADRO C[C@H](O)CN1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000495110342 1077740378 /nfs/dbraw/zinc/74/03/78/1077740378.db2.gz SFYVEJWXGGWDTI-FXAWDEMLSA-N 1 0 417.554 0.592 20 0 HCADRO C[C@H](O)CN1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000495110343 1077740566 /nfs/dbraw/zinc/74/05/66/1077740566.db2.gz SFYVEJWXGGWDTI-PXNSSMCTSA-N 1 0 417.554 0.592 20 0 HCADRO C[C@@H](O)CN1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000495129058 1077742810 /nfs/dbraw/zinc/74/28/10/1077742810.db2.gz SFYVEJWXGGWDTI-XLIONFOSSA-N 1 0 417.554 0.592 20 0 HCADRO C[C@@H](O)CN1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000495129059 1077743026 /nfs/dbraw/zinc/74/30/26/1077743026.db2.gz SFYVEJWXGGWDTI-YLJYHZDGSA-N 1 0 417.554 0.592 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000495131804 1077742454 /nfs/dbraw/zinc/74/24/54/1077742454.db2.gz ZMPJUIDOKUQVAT-UHFFFAOYSA-N 1 0 404.577 0.847 20 0 HCADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCCCN1C(=O)CNC1=O ZINC000495149244 1077744779 /nfs/dbraw/zinc/74/47/79/1077744779.db2.gz RCDSYCRSOOOMBD-UHFFFAOYSA-N 1 0 416.526 0.388 20 0 HCADRO COc1ccc(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1S(N)(=O)=O ZINC000495169130 1077746864 /nfs/dbraw/zinc/74/68/64/1077746864.db2.gz ALQMRXFORXWYLF-UHFFFAOYSA-N 1 0 419.507 0.419 20 0 HCADRO COCCN(Cc1ccnn1C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000495170104 1077747832 /nfs/dbraw/zinc/74/78/32/1077747832.db2.gz FJIHGYQHHNQTNR-UHFFFAOYSA-N 1 0 401.515 0.925 20 0 HCADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000495174980 1077749981 /nfs/dbraw/zinc/74/99/81/1077749981.db2.gz SAEUNTDNHWWGKK-CABCVRRESA-N 1 0 420.514 0.089 20 0 HCADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000495174982 1077749832 /nfs/dbraw/zinc/74/98/32/1077749832.db2.gz SAEUNTDNHWWGKK-GJZGRUSLSA-N 1 0 420.514 0.089 20 0 HCADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000495174984 1077750004 /nfs/dbraw/zinc/75/00/04/1077750004.db2.gz SAEUNTDNHWWGKK-HUUCEWRRSA-N 1 0 420.514 0.089 20 0 HCADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000495174986 1077749793 /nfs/dbraw/zinc/74/97/93/1077749793.db2.gz SAEUNTDNHWWGKK-LSDHHAIUSA-N 1 0 420.514 0.089 20 0 HCADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000495175476 1077749314 /nfs/dbraw/zinc/74/93/14/1077749314.db2.gz PPEGQYLURIVIRZ-CABCVRRESA-N 1 0 411.547 0.301 20 0 HCADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000495175526 1077749371 /nfs/dbraw/zinc/74/93/71/1077749371.db2.gz PPEGQYLURIVIRZ-GJZGRUSLSA-N 1 0 411.547 0.301 20 0 HCADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000495175529 1077749347 /nfs/dbraw/zinc/74/93/47/1077749347.db2.gz PPEGQYLURIVIRZ-HUUCEWRRSA-N 1 0 411.547 0.301 20 0 HCADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000495175532 1077749434 /nfs/dbraw/zinc/74/94/34/1077749434.db2.gz PPEGQYLURIVIRZ-LSDHHAIUSA-N 1 0 411.547 0.301 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCc2ncccc2S(C)(=O)=O)CC1 ZINC000495175893 1077747575 /nfs/dbraw/zinc/74/75/75/1077747575.db2.gz VMIVUYWOKLHNKY-UHFFFAOYSA-N 1 0 418.523 0.631 20 0 HCADRO COC(=O)C[C@](C)(NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(OC)c1 ZINC000495180187 1077750778 /nfs/dbraw/zinc/75/07/78/1077750778.db2.gz JZRJTOQHCWSRBA-BTYIYWSLSA-N 1 0 405.495 1.000 20 0 HCADRO COC(=O)C[C@@](C)(NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(OC)c1 ZINC000495180188 1077750949 /nfs/dbraw/zinc/75/09/49/1077750949.db2.gz JZRJTOQHCWSRBA-QVKFZJNVSA-N 1 0 405.495 1.000 20 0 HCADRO COC(=O)C[C@](C)(NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(OC)c1 ZINC000495180189 1077750877 /nfs/dbraw/zinc/75/08/77/1077750877.db2.gz JZRJTOQHCWSRBA-VFNWGFHPSA-N 1 0 405.495 1.000 20 0 HCADRO COC(=O)C[C@@](C)(NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(OC)c1 ZINC000495180190 1077750857 /nfs/dbraw/zinc/75/08/57/1077750857.db2.gz JZRJTOQHCWSRBA-YCRPNKLZSA-N 1 0 405.495 1.000 20 0 HCADRO COc1ccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1S(N)(=O)=O ZINC000495183234 1077750959 /nfs/dbraw/zinc/75/09/59/1077750959.db2.gz JVLYKTDUGDWEJP-UHFFFAOYSA-N 1 0 411.524 0.994 20 0 HCADRO COc1cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)ccc1OCC(=O)N1CCCC1 ZINC000495183306 1077751330 /nfs/dbraw/zinc/75/13/30/1077751330.db2.gz XPWVLCRDOQVKJK-UHFFFAOYSA-N 1 0 411.524 0.677 20 0 HCADRO CCOc1cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000495183955 1077751090 /nfs/dbraw/zinc/75/10/90/1077751090.db2.gz ZSWVFODYCKLUKN-AWEZNQCLSA-N 1 0 413.540 0.922 20 0 HCADRO CCOc1cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000495183956 1077751171 /nfs/dbraw/zinc/75/11/71/1077751171.db2.gz ZSWVFODYCKLUKN-CQSZACIVSA-N 1 0 413.540 0.922 20 0 HCADRO COc1ccc(CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)cc1S(N)(=O)=O ZINC000495191809 1077752159 /nfs/dbraw/zinc/75/21/59/1077752159.db2.gz KGCIYUBYLCOGPV-UHFFFAOYSA-N 1 0 419.507 0.419 20 0 HCADRO CC[C@]1(O)CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000495192918 1077752599 /nfs/dbraw/zinc/75/25/99/1077752599.db2.gz LYGUNCQDWMTZEH-IBGZPJMESA-N 1 0 411.524 0.171 20 0 HCADRO CC[C@@]1(O)CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000495193219 1077752459 /nfs/dbraw/zinc/75/24/59/1077752459.db2.gz LYGUNCQDWMTZEH-LJQANCHMSA-N 1 0 411.524 0.171 20 0 HCADRO CC(C)CN1C[C@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CCN2C1=O ZINC000495193727 1077753136 /nfs/dbraw/zinc/75/31/36/1077753136.db2.gz KLWJWYOMXOSPQT-DLBZAZTESA-N 1 0 408.547 0.361 20 0 HCADRO CC(C)CN1C[C@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CCN2C1=O ZINC000495193728 1077752851 /nfs/dbraw/zinc/75/28/51/1077752851.db2.gz KLWJWYOMXOSPQT-IAGOWNOFSA-N 1 0 408.547 0.361 20 0 HCADRO CC(C)CN1C[C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CCN2C1=O ZINC000495193729 1077753039 /nfs/dbraw/zinc/75/30/39/1077753039.db2.gz KLWJWYOMXOSPQT-IRXDYDNUSA-N 1 0 408.547 0.361 20 0 HCADRO CC(C)CN1C[C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CCN2C1=O ZINC000495193730 1077753009 /nfs/dbraw/zinc/75/30/09/1077753009.db2.gz KLWJWYOMXOSPQT-SJORKVTESA-N 1 0 408.547 0.361 20 0 HCADRO CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000495199777 1077756605 /nfs/dbraw/zinc/75/66/05/1077756605.db2.gz DYLDHKRHZKWFAT-GHTZIAJQSA-N 1 0 403.479 0.344 20 0 HCADRO CC[C@]1(O)CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000495199778 1077756642 /nfs/dbraw/zinc/75/66/42/1077756642.db2.gz DYLDHKRHZKWFAT-NQIIRXRSSA-N 1 0 403.479 0.344 20 0 HCADRO CC[C@]1(O)CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000495199779 1077756488 /nfs/dbraw/zinc/75/64/88/1077756488.db2.gz DYLDHKRHZKWFAT-RXVVDRJESA-N 1 0 403.479 0.344 20 0 HCADRO CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000495199780 1077756561 /nfs/dbraw/zinc/75/65/61/1077756561.db2.gz DYLDHKRHZKWFAT-WIYYLYMNSA-N 1 0 403.479 0.344 20 0 HCADRO CC[C@]1(O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 ZINC000495202175 1077757697 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ZINC000495311796 1077807315 /nfs/dbraw/zinc/80/73/15/1077807315.db2.gz FNEJFUXVKWWJHJ-UHFFFAOYSA-N 1 0 402.561 0.109 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000495312203 1077807332 /nfs/dbraw/zinc/80/73/32/1077807332.db2.gz KQUXNADCRLMCRG-KRWDZBQOSA-N 1 0 417.572 0.972 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000495312204 1077807339 /nfs/dbraw/zinc/80/73/39/1077807339.db2.gz KQUXNADCRLMCRG-QGZVFWFLSA-N 1 0 417.572 0.972 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000495312433 1077805855 /nfs/dbraw/zinc/80/58/55/1077805855.db2.gz MLTNJWMANZSKLK-UHFFFAOYSA-N 1 0 416.588 0.499 20 0 HCADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000495313264 1077807497 /nfs/dbraw/zinc/80/74/97/1077807497.db2.gz VDFYPQDWJXVOKB-HNNXBMFYSA-N 1 0 422.551 0.609 20 0 HCADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000495313265 1077807535 /nfs/dbraw/zinc/80/75/35/1077807535.db2.gz VDFYPQDWJXVOKB-OAHLLOKOSA-N 1 0 422.551 0.609 20 0 HCADRO O=C(CCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000495316467 1077806712 /nfs/dbraw/zinc/80/67/12/1077806712.db2.gz NIRVRXSTMSMCRW-UHFFFAOYSA-N 1 0 408.543 0.466 20 0 HCADRO CC1(C)NC(=O)N(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1=O ZINC000495316910 1077808555 /nfs/dbraw/zinc/80/85/55/1077808555.db2.gz RHUXNPKTYNVTGE-UHFFFAOYSA-N 1 0 407.515 0.158 20 0 HCADRO CC(C)NC(=O)CN(C)CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000495317000 1077808568 /nfs/dbraw/zinc/80/85/68/1077808568.db2.gz TVJNAIDIRZHQGP-UHFFFAOYSA-N 1 0 409.575 0.284 20 0 HCADRO C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)C[C@@H](C)O1 ZINC000495324277 1077809315 /nfs/dbraw/zinc/80/93/15/1077809315.db2.gz PUIPSMFVZZGVNN-IZBJGVDFSA-N 1 0 423.554 0.741 20 0 HCADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)C[C@H](C)O1 ZINC000495324278 1077809339 /nfs/dbraw/zinc/80/93/39/1077809339.db2.gz PUIPSMFVZZGVNN-KVPLUYHFSA-N 1 0 423.554 0.741 20 0 HCADRO C[C@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)C[C@H](C)O1 ZINC000495324279 1077809260 /nfs/dbraw/zinc/80/92/60/1077809260.db2.gz PUIPSMFVZZGVNN-QGZVKYPTSA-N 1 0 423.554 0.741 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000495329186 1077810482 /nfs/dbraw/zinc/81/04/82/1077810482.db2.gz GUHANVKETZADSJ-UHFFFAOYSA-N 1 0 409.531 0.404 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000495329579 1077810268 /nfs/dbraw/zinc/81/02/68/1077810268.db2.gz POOHXOJDUJGLAC-UHFFFAOYSA-N 1 0 416.526 0.583 20 0 HCADRO O=C(CCN1CCCS1(=O)=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000495329837 1077810493 /nfs/dbraw/zinc/81/04/93/1077810493.db2.gz WMKBOBBOIRCTHU-UHFFFAOYSA-N 1 0 414.572 0.253 20 0 HCADRO COCCN1C[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1=O ZINC000495334305 1077811811 /nfs/dbraw/zinc/81/18/11/1077811811.db2.gz WKCYVGUOEKBYDB-GOSISDBHSA-N 1 0 408.543 0.322 20 0 HCADRO COCCN1C[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1=O ZINC000495334306 1077811793 /nfs/dbraw/zinc/81/17/93/1077811793.db2.gz WKCYVGUOEKBYDB-SFHVURJKSA-N 1 0 408.543 0.322 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CCC(=O)N2CCOCC2)CC1 ZINC000495334374 1077811782 /nfs/dbraw/zinc/81/17/82/1077811782.db2.gz XTXGUJMYYLJFOJ-UHFFFAOYSA-N 1 0 410.559 0.712 20 0 HCADRO CCN1CCN(CC(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)C(=O)C1=O ZINC000495335775 1077810940 /nfs/dbraw/zinc/81/09/40/1077810940.db2.gz AUGCQMHTQHQYSF-IBGZPJMESA-N 1 0 400.523 0.876 20 0 HCADRO CCN1CCN(CC(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)C(=O)C1=O ZINC000495335776 1077810979 /nfs/dbraw/zinc/81/09/79/1077810979.db2.gz AUGCQMHTQHQYSF-LJQANCHMSA-N 1 0 400.523 0.876 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc(C)c1C ZINC000495347789 1077813177 /nfs/dbraw/zinc/81/31/77/1077813177.db2.gz KEHYMAHDHBWLHQ-INIZCTEOSA-N 1 0 404.467 0.485 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc(C)c1C ZINC000495347790 1077813189 /nfs/dbraw/zinc/81/31/89/1077813189.db2.gz KEHYMAHDHBWLHQ-MRXNPFEDSA-N 1 0 404.467 0.485 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc(C)c1C ZINC000495352854 1077813737 /nfs/dbraw/zinc/81/37/37/1077813737.db2.gz GZVLKKFXEHSMMQ-HNNXBMFYSA-N 1 0 418.494 0.732 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc(C)c1C ZINC000495352855 1077813918 /nfs/dbraw/zinc/81/39/18/1077813918.db2.gz GZVLKKFXEHSMMQ-OAHLLOKOSA-N 1 0 418.494 0.732 20 0 HCADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000495362252 1077820485 /nfs/dbraw/zinc/82/04/85/1077820485.db2.gz ARCVXCYANWIMKM-KRWDZBQOSA-N 1 0 411.547 0.208 20 0 HCADRO CC[C@H](C(=O)OC)N1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000495362253 1077820437 /nfs/dbraw/zinc/82/04/37/1077820437.db2.gz ARCVXCYANWIMKM-QGZVFWFLSA-N 1 0 411.547 0.208 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC2CCC(F)(F)CC2)CC1 ZINC000495364257 1077821101 /nfs/dbraw/zinc/82/11/01/1077821101.db2.gz ODCXQUSCCAOCKW-UHFFFAOYSA-N 1 0 400.470 0.695 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]CC(=O)NCC3CC3)CC2)cc1 ZINC000495374165 1077823135 /nfs/dbraw/zinc/82/31/35/1077823135.db2.gz MYFRHADAJHDZJW-UHFFFAOYSA-N 1 0 408.524 0.914 20 0 HCADRO Cn1c2ncn(CCC(=O)N3CCC([NH+]4CCCCC4)CC3)c2c(=O)n(C)c1=O ZINC000495374792 1077823423 /nfs/dbraw/zinc/82/34/23/1077823423.db2.gz CIRXKDYSZPMJCS-UHFFFAOYSA-N 1 0 402.499 0.301 20 0 HCADRO O=S(=O)(NCC[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495399448 1077826136 /nfs/dbraw/zinc/82/61/36/1077826136.db2.gz GHAYOOPIUGPZCI-UHFFFAOYSA-N 1 0 403.526 0.082 20 0 HCADRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000495404405 1077828368 /nfs/dbraw/zinc/82/83/68/1077828368.db2.gz LFZUCRZGXDHLBJ-AWEZNQCLSA-N 1 0 401.554 0.770 20 0 HCADRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000495404414 1077828378 /nfs/dbraw/zinc/82/83/78/1077828378.db2.gz LFZUCRZGXDHLBJ-CQSZACIVSA-N 1 0 401.554 0.770 20 0 HCADRO CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495406200 1077828350 /nfs/dbraw/zinc/82/83/50/1077828350.db2.gz ACAMKVHYTOEMSL-NRFANRHFSA-N 1 0 405.539 0.656 20 0 HCADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495406201 1077828549 /nfs/dbraw/zinc/82/85/49/1077828549.db2.gz ACAMKVHYTOEMSL-OAQYLSRUSA-N 1 0 405.539 0.656 20 0 HCADRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000495407908 1077827636 /nfs/dbraw/zinc/82/76/36/1077827636.db2.gz JWUADXDIGLUBKC-GOSISDBHSA-N 1 0 417.558 0.923 20 0 HCADRO C[NH+]1CCC(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000495407909 1077827573 /nfs/dbraw/zinc/82/75/73/1077827573.db2.gz JWUADXDIGLUBKC-SFHVURJKSA-N 1 0 417.558 0.923 20 0 HCADRO CN(CCC(=O)N1CCOCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)N1CCOCC1 ZINC000495408378 1077827592 /nfs/dbraw/zinc/82/75/92/1077827592.db2.gz LHVPITBUYVJHDZ-BGYRXZFFSA-N 1 0 424.586 0.659 20 0 HCADRO CN(CCC(=O)N1CCOCC1)[C@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)N1CCOCC1 ZINC000495408379 1077827620 /nfs/dbraw/zinc/82/76/20/1077827620.db2.gz LHVPITBUYVJHDZ-PMACEKPBSA-N 1 0 424.586 0.659 20 0 HCADRO CN(CCC(=O)N1CCOCC1)[C@@H]1CCCC[C@H]1[N@H+](C)CCC(=O)N1CCOCC1 ZINC000495408380 1077827601 /nfs/dbraw/zinc/82/76/01/1077827601.db2.gz LHVPITBUYVJHDZ-WOJBJXKFSA-N 1 0 424.586 0.659 20 0 HCADRO C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000495408488 1077827649 /nfs/dbraw/zinc/82/76/49/1077827649.db2.gz LLTSPIOKJXWONY-KRWDZBQOSA-N 1 0 403.531 0.675 20 0 HCADRO C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000495408489 1077827581 /nfs/dbraw/zinc/82/75/81/1077827581.db2.gz LLTSPIOKJXWONY-QGZVFWFLSA-N 1 0 403.531 0.675 20 0 HCADRO C[N@H+](CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000495409779 1077827814 /nfs/dbraw/zinc/82/78/14/1077827814.db2.gz PWGUSTOSGOJWCE-INIZCTEOSA-N 1 0 403.531 0.675 20 0 HCADRO C[N@H+](CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000495409780 1077827771 /nfs/dbraw/zinc/82/77/71/1077827771.db2.gz PWGUSTOSGOJWCE-MRXNPFEDSA-N 1 0 403.531 0.675 20 0 HCADRO CCS(=O)(=O)NCCN(C)[C@H]1CCCC[C@@H]1[N@H+](C)CCNS(=O)(=O)CC ZINC000495409808 1077827801 /nfs/dbraw/zinc/82/78/01/1077827801.db2.gz QFLGGYRBHWWPPC-HOTGVXAUSA-N 1 0 412.622 0.040 20 0 HCADRO CCS(=O)(=O)NCCN(C)[C@@H]1CCCC[C@H]1[N@H+](C)CCNS(=O)(=O)CC ZINC000495409809 1077827827 /nfs/dbraw/zinc/82/78/27/1077827827.db2.gz QFLGGYRBHWWPPC-HZPDHXFCSA-N 1 0 412.622 0.040 20 0 HCADRO CCS(=O)(=O)NCCN(C)[C@@H]1CCCC[C@@H]1[N@H+](C)CCNS(=O)(=O)CC ZINC000495409810 1077827835 /nfs/dbraw/zinc/82/78/35/1077827835.db2.gz QFLGGYRBHWWPPC-IYBDPMFKSA-N 1 0 412.622 0.040 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000495413037 1077829374 /nfs/dbraw/zinc/82/93/74/1077829374.db2.gz CUQDYKDVOQTXJS-DLBZAZTESA-N 1 0 405.547 0.921 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000495413040 1077829367 /nfs/dbraw/zinc/82/93/67/1077829367.db2.gz CUQDYKDVOQTXJS-IAGOWNOFSA-N 1 0 405.547 0.921 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000495413041 1077829427 /nfs/dbraw/zinc/82/94/27/1077829427.db2.gz CUQDYKDVOQTXJS-IRXDYDNUSA-N 1 0 405.547 0.921 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000495413042 1077829414 /nfs/dbraw/zinc/82/94/14/1077829414.db2.gz CUQDYKDVOQTXJS-SJORKVTESA-N 1 0 405.547 0.921 20 0 HCADRO C[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000495420319 1077830655 /nfs/dbraw/zinc/83/06/55/1077830655.db2.gz GXBTVAQUSZQANJ-KRWDZBQOSA-N 1 0 403.531 0.629 20 0 HCADRO C[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000495420320 1077830589 /nfs/dbraw/zinc/83/05/89/1077830589.db2.gz GXBTVAQUSZQANJ-QGZVFWFLSA-N 1 0 403.531 0.629 20 0 HCADRO CN1CC(=O)N(CC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1=O ZINC000495422931 1077829744 /nfs/dbraw/zinc/82/97/44/1077829744.db2.gz MUOMZNACXVHKNV-UHFFFAOYSA-N 1 0 401.511 0.595 20 0 HCADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000495425454 1077829969 /nfs/dbraw/zinc/82/99/69/1077829969.db2.gz BERHELFFEVVXRS-DLBZAZTESA-N 1 0 417.620 0.714 20 0 HCADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000495425455 1077829908 /nfs/dbraw/zinc/82/99/08/1077829908.db2.gz BERHELFFEVVXRS-IAGOWNOFSA-N 1 0 417.620 0.714 20 0 HCADRO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000495425456 1077829898 /nfs/dbraw/zinc/82/98/98/1077829898.db2.gz BERHELFFEVVXRS-IRXDYDNUSA-N 1 0 417.620 0.714 20 0 HCADRO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000495425457 1077829930 /nfs/dbraw/zinc/82/99/30/1077829930.db2.gz BERHELFFEVVXRS-SJORKVTESA-N 1 0 417.620 0.714 20 0 HCADRO CN(Cc1cc[nH]n1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000495426678 1077829951 /nfs/dbraw/zinc/82/99/51/1077829951.db2.gz MRQNWUVSADZGNM-HNNXBMFYSA-N 1 0 400.487 0.847 20 0 HCADRO CN(Cc1cc[nH]n1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000495426682 1077829923 /nfs/dbraw/zinc/82/99/23/1077829923.db2.gz MRQNWUVSADZGNM-OAHLLOKOSA-N 1 0 400.487 0.847 20 0 HCADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000495427177 1077830105 /nfs/dbraw/zinc/83/01/05/1077830105.db2.gz PTJQFMDGWBOZRU-UHFFFAOYSA-N 1 0 412.581 0.891 20 0 HCADRO CC[NH+](CC)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000495428811 1077830318 /nfs/dbraw/zinc/83/03/18/1077830318.db2.gz ZQOCWJMRLKBDAB-KRWDZBQOSA-N 1 0 405.547 0.923 20 0 HCADRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000495428812 1077830355 /nfs/dbraw/zinc/83/03/55/1077830355.db2.gz ZQOCWJMRLKBDAB-QGZVFWFLSA-N 1 0 405.547 0.923 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000495435702 1077830948 /nfs/dbraw/zinc/83/09/48/1077830948.db2.gz ZHPPUTNZJOWYEP-CVEARBPZSA-N 1 0 401.577 0.126 20 0 HCADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000495435703 1077830986 /nfs/dbraw/zinc/83/09/86/1077830986.db2.gz ZHPPUTNZJOWYEP-HOTGVXAUSA-N 1 0 401.577 0.126 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000495435704 1077831001 /nfs/dbraw/zinc/83/10/01/1077831001.db2.gz ZHPPUTNZJOWYEP-HZPDHXFCSA-N 1 0 401.577 0.126 20 0 HCADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000495435705 1077830938 /nfs/dbraw/zinc/83/09/38/1077830938.db2.gz ZHPPUTNZJOWYEP-JKSUJKDBSA-N 1 0 401.577 0.126 20 0 HCADRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495444673 1077831792 /nfs/dbraw/zinc/83/17/92/1077831792.db2.gz KPPGRVOVRGAVDW-CVEARBPZSA-N 1 0 421.523 0.909 20 0 HCADRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495444674 1077831788 /nfs/dbraw/zinc/83/17/88/1077831788.db2.gz KPPGRVOVRGAVDW-HOTGVXAUSA-N 1 0 421.523 0.909 20 0 HCADRO C[C@H](Cn1cccn1)[NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495444675 1077831761 /nfs/dbraw/zinc/83/17/61/1077831761.db2.gz KPPGRVOVRGAVDW-HZPDHXFCSA-N 1 0 421.523 0.909 20 0 HCADRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495444676 1077831738 /nfs/dbraw/zinc/83/17/38/1077831738.db2.gz KPPGRVOVRGAVDW-JKSUJKDBSA-N 1 0 421.523 0.909 20 0 HCADRO C[C@H]([NH2+]CCn1cccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000495445391 1077832835 /nfs/dbraw/zinc/83/28/35/1077832835.db2.gz UTXJAPPGOYKQNO-HNNXBMFYSA-N 1 0 407.496 0.521 20 0 HCADRO C[C@@H]([NH2+]CCn1cccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000495445392 1077832811 /nfs/dbraw/zinc/83/28/11/1077832811.db2.gz UTXJAPPGOYKQNO-OAHLLOKOSA-N 1 0 407.496 0.521 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000495450100 1077832516 /nfs/dbraw/zinc/83/25/16/1077832516.db2.gz KQOBEFOMVHHBHH-FGTMMUONSA-N 1 0 415.538 0.841 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000495450101 1077832479 /nfs/dbraw/zinc/83/24/79/1077832479.db2.gz KQOBEFOMVHHBHH-KURKYZTESA-N 1 0 415.538 0.841 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000495450102 1077832503 /nfs/dbraw/zinc/83/25/03/1077832503.db2.gz KQOBEFOMVHHBHH-KZNAEPCWSA-N 1 0 415.538 0.841 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000495450103 1077832535 /nfs/dbraw/zinc/83/25/35/1077832535.db2.gz KQOBEFOMVHHBHH-SQNIBIBYSA-N 1 0 415.538 0.841 20 0 HCADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000495456233 1077833363 /nfs/dbraw/zinc/83/33/63/1077833363.db2.gz YLUSCDRELJKWRT-IRXDYDNUSA-N 1 0 409.556 0.385 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000495456234 1077833340 /nfs/dbraw/zinc/83/33/40/1077833340.db2.gz YLUSCDRELJKWRT-SJORKVTESA-N 1 0 409.556 0.385 20 0 HCADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC2 ZINC000495460542 1077833608 /nfs/dbraw/zinc/83/36/08/1077833608.db2.gz JVRWGKBHPCRDSZ-DOMZBBRYSA-N 1 0 406.512 0.768 20 0 HCADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC2 ZINC000495460543 1077833629 /nfs/dbraw/zinc/83/36/29/1077833629.db2.gz JVRWGKBHPCRDSZ-IUODEOHRSA-N 1 0 406.512 0.768 20 0 HCADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC2 ZINC000495460544 1077833645 /nfs/dbraw/zinc/83/36/45/1077833645.db2.gz JVRWGKBHPCRDSZ-SWLSCSKDSA-N 1 0 406.512 0.768 20 0 HCADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC2 ZINC000495460545 1077833775 /nfs/dbraw/zinc/83/37/75/1077833775.db2.gz JVRWGKBHPCRDSZ-WFASDCNBSA-N 1 0 406.512 0.768 20 0 HCADRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000495465012 1077834268 /nfs/dbraw/zinc/83/42/68/1077834268.db2.gz HRLFOCKICXMWCX-PBHICJAKSA-N 1 0 410.540 0.717 20 0 HCADRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000495465013 1077834289 /nfs/dbraw/zinc/83/42/89/1077834289.db2.gz HRLFOCKICXMWCX-RHSMWYFYSA-N 1 0 410.540 0.717 20 0 HCADRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000495465014 1077834298 /nfs/dbraw/zinc/83/42/98/1077834298.db2.gz HRLFOCKICXMWCX-WMLDXEAASA-N 1 0 410.540 0.717 20 0 HCADRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000495465015 1077834250 /nfs/dbraw/zinc/83/42/50/1077834250.db2.gz HRLFOCKICXMWCX-YOEHRIQHSA-N 1 0 410.540 0.717 20 0 HCADRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000495469522 1077834427 /nfs/dbraw/zinc/83/44/27/1077834427.db2.gz HZHWSLCUMZRJAE-CVEARBPZSA-N 1 0 421.523 0.909 20 0 HCADRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000495469523 1077834476 /nfs/dbraw/zinc/83/44/76/1077834476.db2.gz HZHWSLCUMZRJAE-HOTGVXAUSA-N 1 0 421.523 0.909 20 0 HCADRO C[C@H](Cn1cccn1)[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000495469524 1077834463 /nfs/dbraw/zinc/83/44/63/1077834463.db2.gz HZHWSLCUMZRJAE-HZPDHXFCSA-N 1 0 421.523 0.909 20 0 HCADRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000495469525 1077834442 /nfs/dbraw/zinc/83/44/42/1077834442.db2.gz HZHWSLCUMZRJAE-JKSUJKDBSA-N 1 0 421.523 0.909 20 0 HCADRO CCN(C(=O)C[NH2+][C@@H](COC)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000495471258 1077834091 /nfs/dbraw/zinc/83/40/91/1077834091.db2.gz UUTAGUUTDGMEEI-INIZCTEOSA-N 1 0 415.494 0.947 20 0 HCADRO CCN(C(=O)C[NH2+][C@H](COC)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000495471259 1077834119 /nfs/dbraw/zinc/83/41/19/1077834119.db2.gz UUTAGUUTDGMEEI-MRXNPFEDSA-N 1 0 415.494 0.947 20 0 HCADRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CCN(CCn2cncn2)CC1 ZINC000495473617 1077834109 /nfs/dbraw/zinc/83/41/09/1077834109.db2.gz IHFFVJPABOUJGU-UHFFFAOYSA-N 1 0 412.538 0.940 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000495484887 1077834792 /nfs/dbraw/zinc/83/47/92/1077834792.db2.gz PVBDCNBXYFBADM-UHFFFAOYSA-N 1 0 424.505 0.785 20 0 HCADRO Cc1ccc(NC(=O)[C@H](C)[NH2+]CCn2cccn2)cc1S(=O)(=O)N1CCOCC1 ZINC000495495445 1077836617 /nfs/dbraw/zinc/83/66/17/1077836617.db2.gz RWPDFZZDXGRHOB-INIZCTEOSA-N 1 0 421.523 0.829 20 0 HCADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+]CCn2cccn2)cc1S(=O)(=O)N1CCOCC1 ZINC000495495446 1077836644 /nfs/dbraw/zinc/83/66/44/1077836644.db2.gz RWPDFZZDXGRHOB-MRXNPFEDSA-N 1 0 421.523 0.829 20 0 HCADRO C[C@H]([NH2+]CCn1cccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495495497 1077836632 /nfs/dbraw/zinc/83/66/32/1077836632.db2.gz SMYUCHZYMTZWPX-HNNXBMFYSA-N 1 0 407.496 0.521 20 0 HCADRO C[C@@H]([NH2+]CCn1cccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495495498 1077836650 /nfs/dbraw/zinc/83/66/50/1077836650.db2.gz SMYUCHZYMTZWPX-OAHLLOKOSA-N 1 0 407.496 0.521 20 0 HCADRO C[C@H](C(=O)N(C)CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)n1cccn1 ZINC000495501539 1077837495 /nfs/dbraw/zinc/83/74/95/1077837495.db2.gz JKQOQKFZHLVWCD-GOSISDBHSA-N 1 0 412.538 0.966 20 0 HCADRO C[C@@H](C(=O)N(C)CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)n1cccn1 ZINC000495501540 1077837444 /nfs/dbraw/zinc/83/74/44/1077837444.db2.gz JKQOQKFZHLVWCD-SFHVURJKSA-N 1 0 412.538 0.966 20 0 HCADRO COc1ccc(NC(=O)[C@@H]([NH3+])CCSC)cc1S(=O)(=O)N1CCOCC1 ZINC000495502929 1077836273 /nfs/dbraw/zinc/83/62/73/1077836273.db2.gz LAVKAMVXFHANAI-ZDUSSCGKSA-N 1 0 403.526 0.735 20 0 HCADRO CN1CC(=O)N(CCCC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1=O ZINC000495503277 1077836338 /nfs/dbraw/zinc/83/63/38/1077836338.db2.gz YJZMPAUGVIAAKS-UHFFFAOYSA-N 1 0 401.511 0.724 20 0 HCADRO C[NH+]1CCN(Cc2ccc(CNC(=O)CSCC(=O)N3CCOCC3)cc2)CC1 ZINC000495505510 1077838614 /nfs/dbraw/zinc/83/86/14/1077838614.db2.gz IMHLRGOYLZJNQO-UHFFFAOYSA-N 1 0 420.579 0.642 20 0 HCADRO COC(=O)CC1([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC000495511029 1077838321 /nfs/dbraw/zinc/83/83/21/1077838321.db2.gz CQCKAVXHRROZFI-CABCVRRESA-N 1 0 402.513 0.257 20 0 HCADRO COC(=O)CC1([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCC1 ZINC000495511040 1077838335 /nfs/dbraw/zinc/83/83/35/1077838335.db2.gz CQCKAVXHRROZFI-GJZGRUSLSA-N 1 0 402.513 0.257 20 0 HCADRO COC(=O)CC1([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC000495511042 1077838301 /nfs/dbraw/zinc/83/83/01/1077838301.db2.gz CQCKAVXHRROZFI-HUUCEWRRSA-N 1 0 402.513 0.257 20 0 HCADRO COC(=O)CC1([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCC1 ZINC000495511043 1077838351 /nfs/dbraw/zinc/83/83/51/1077838351.db2.gz CQCKAVXHRROZFI-LSDHHAIUSA-N 1 0 402.513 0.257 20 0 HCADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000495515097 1077839176 /nfs/dbraw/zinc/83/91/76/1077839176.db2.gz KDASAHJHULALCF-KRWDZBQOSA-N 1 0 411.524 0.969 20 0 HCADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000495515098 1077839194 /nfs/dbraw/zinc/83/91/94/1077839194.db2.gz KDASAHJHULALCF-QGZVFWFLSA-N 1 0 411.524 0.969 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CCCN3C(=O)CNC3=O)c2)CC1 ZINC000495522085 1077838987 /nfs/dbraw/zinc/83/89/87/1077838987.db2.gz UYPKSRBRBFPQAA-UHFFFAOYSA-N 1 0 401.467 0.654 20 0 HCADRO CCCCS(=O)(=O)N1CCC(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000495551016 1077842470 /nfs/dbraw/zinc/84/24/70/1077842470.db2.gz QILMYFAADYDVTC-KRWDZBQOSA-N 1 0 402.605 0.828 20 0 HCADRO CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000495551017 1077842513 /nfs/dbraw/zinc/84/25/13/1077842513.db2.gz QILMYFAADYDVTC-QGZVFWFLSA-N 1 0 402.605 0.828 20 0 HCADRO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1C ZINC000495551357 1077842464 /nfs/dbraw/zinc/84/24/64/1077842464.db2.gz YELIYOCSCSEJNL-INIZCTEOSA-N 1 0 410.584 0.924 20 0 HCADRO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1C ZINC000495551358 1077842487 /nfs/dbraw/zinc/84/24/87/1077842487.db2.gz YELIYOCSCSEJNL-MRXNPFEDSA-N 1 0 410.584 0.924 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1 ZINC000495564196 1077844335 /nfs/dbraw/zinc/84/43/35/1077844335.db2.gz IDJCTPLRRKHCDW-CVEARBPZSA-N 1 0 414.547 0.882 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1 ZINC000495564203 1077844313 /nfs/dbraw/zinc/84/43/13/1077844313.db2.gz IDJCTPLRRKHCDW-HOTGVXAUSA-N 1 0 414.547 0.882 20 0 HCADRO C[C@H](CNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C[NH+]1CCN(C)CC1 ZINC000495564543 1077844126 /nfs/dbraw/zinc/84/41/26/1077844126.db2.gz JKFQMTZVTJJBDC-ATZDWAIDSA-N 1 0 422.570 0.968 20 0 HCADRO C[C@H](CNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C[NH+]1CCN(C)CC1 ZINC000495564549 1077844136 /nfs/dbraw/zinc/84/41/36/1077844136.db2.gz JKFQMTZVTJJBDC-AYOQOUSVSA-N 1 0 422.570 0.968 20 0 HCADRO C[C@H](CNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C[NH+]1CCN(C)CC1 ZINC000495564550 1077844142 /nfs/dbraw/zinc/84/41/42/1077844142.db2.gz JKFQMTZVTJJBDC-LZQZEXGQSA-N 1 0 422.570 0.968 20 0 HCADRO C[C@H](CNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C[NH+]1CCN(C)CC1 ZINC000495564551 1077844172 /nfs/dbraw/zinc/84/41/72/1077844172.db2.gz JKFQMTZVTJJBDC-MNEFBYGVSA-N 1 0 422.570 0.968 20 0 HCADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C[NH+]1CCN(C)CC1 ZINC000495581078 1077848332 /nfs/dbraw/zinc/84/83/32/1077848332.db2.gz UDMKSFFOIOIDIB-DLBZAZTESA-N 1 0 416.522 0.810 20 0 HCADRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C[NH+]1CCN(C)CC1 ZINC000495581079 1077848376 /nfs/dbraw/zinc/84/83/76/1077848376.db2.gz UDMKSFFOIOIDIB-IAGOWNOFSA-N 1 0 416.522 0.810 20 0 HCADRO C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C[NH+]1CCN(C)CC1 ZINC000495581080 1077848356 /nfs/dbraw/zinc/84/83/56/1077848356.db2.gz UDMKSFFOIOIDIB-IRXDYDNUSA-N 1 0 416.522 0.810 20 0 HCADRO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C[NH+]1CCN(C)CC1 ZINC000495581081 1077848312 /nfs/dbraw/zinc/84/83/12/1077848312.db2.gz UDMKSFFOIOIDIB-SJORKVTESA-N 1 0 416.522 0.810 20 0 HCADRO CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C2=O ZINC000495593929 1077849572 /nfs/dbraw/zinc/84/95/72/1077849572.db2.gz KFOQJBPSINLDFJ-BQJIDLTASA-N 1 0 407.559 0.877 20 0 HCADRO CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C2=O ZINC000495593932 1077849497 /nfs/dbraw/zinc/84/94/97/1077849497.db2.gz KFOQJBPSINLDFJ-ZGGTZUKQSA-N 1 0 407.559 0.877 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000495605266 1077851081 /nfs/dbraw/zinc/85/10/81/1077851081.db2.gz DMASPJBBNBBELG-INIZCTEOSA-N 1 0 401.511 0.742 20 0 HCADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000495607062 1077851455 /nfs/dbraw/zinc/85/14/55/1077851455.db2.gz KIYDIJXZVMOKLD-HNNXBMFYSA-N 1 0 403.932 0.876 20 0 HCADRO CC[C@H](CO)[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000495607065 1077851437 /nfs/dbraw/zinc/85/14/37/1077851437.db2.gz KIYDIJXZVMOKLD-OAHLLOKOSA-N 1 0 403.932 0.876 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000495607813 1077851264 /nfs/dbraw/zinc/85/12/64/1077851264.db2.gz MQHAXASXBUSEDZ-HIFRSBDPSA-N 1 0 415.560 0.348 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000495607837 1077851303 /nfs/dbraw/zinc/85/13/03/1077851303.db2.gz MQHAXASXBUSEDZ-ZFWWWQNUSA-N 1 0 415.560 0.348 20 0 HCADRO C[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)C[NH+]1CCN(C)CC1 ZINC000495607914 1077851269 /nfs/dbraw/zinc/85/12/69/1077851269.db2.gz MVXCOMWOMQLBIM-AWEZNQCLSA-N 1 0 402.586 0.453 20 0 HCADRO C[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)C[NH+]1CCN(C)CC1 ZINC000495607916 1077851288 /nfs/dbraw/zinc/85/12/88/1077851288.db2.gz MVXCOMWOMQLBIM-CQSZACIVSA-N 1 0 402.586 0.453 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000495608467 1077851489 /nfs/dbraw/zinc/85/14/89/1077851489.db2.gz SQOPUBYNWYYTKS-CBGDNZLLSA-N 1 0 407.559 0.877 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000495608468 1077851464 /nfs/dbraw/zinc/85/14/64/1077851464.db2.gz SQOPUBYNWYYTKS-LLGFUMIMSA-N 1 0 407.559 0.877 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000495608469 1077851506 /nfs/dbraw/zinc/85/15/06/1077851506.db2.gz SQOPUBYNWYYTKS-LZJOCLMNSA-N 1 0 407.559 0.877 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000495608470 1077851497 /nfs/dbraw/zinc/85/14/97/1077851497.db2.gz SQOPUBYNWYYTKS-WWMYMODYSA-N 1 0 407.559 0.877 20 0 HCADRO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C[NH+]1CCN(C)CC1 ZINC000495609087 1077850488 /nfs/dbraw/zinc/85/04/88/1077850488.db2.gz ZHUUYQNNFHETGE-KRWDZBQOSA-N 1 0 424.567 0.321 20 0 HCADRO C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C[NH+]1CCN(C)CC1 ZINC000495609088 1077850463 /nfs/dbraw/zinc/85/04/63/1077850463.db2.gz ZHUUYQNNFHETGE-QGZVFWFLSA-N 1 0 424.567 0.321 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000495609094 1077850479 /nfs/dbraw/zinc/85/04/79/1077850479.db2.gz ZKRMXOHODLSOMA-HNNXBMFYSA-N 1 0 402.586 0.806 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000495609095 1077850450 /nfs/dbraw/zinc/85/04/50/1077850450.db2.gz ZKRMXOHODLSOMA-OAHLLOKOSA-N 1 0 402.586 0.806 20 0 HCADRO CS[C@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1[NH+](C)C ZINC000495617916 1077852294 /nfs/dbraw/zinc/85/22/94/1077852294.db2.gz IKYQGIKMLSMGLF-KBPBESRZSA-N 1 0 419.594 0.887 20 0 HCADRO CS[C@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@H]1[NH+](C)C ZINC000495617931 1077852432 /nfs/dbraw/zinc/85/24/32/1077852432.db2.gz IKYQGIKMLSMGLF-KGLIPLIRSA-N 1 0 419.594 0.887 20 0 HCADRO CS[C@@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1[NH+](C)C ZINC000495617933 1077852486 /nfs/dbraw/zinc/85/24/86/1077852486.db2.gz IKYQGIKMLSMGLF-UONOGXRCSA-N 1 0 419.594 0.887 20 0 HCADRO CS[C@@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@H]1[NH+](C)C ZINC000495617937 1077852470 /nfs/dbraw/zinc/85/24/70/1077852470.db2.gz IKYQGIKMLSMGLF-ZIAGYGMSSA-N 1 0 419.594 0.887 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000495635446 1077855258 /nfs/dbraw/zinc/85/52/58/1077855258.db2.gz JWQJFJCYFPQGMF-HNNXBMFYSA-N 1 0 416.613 0.843 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000495635447 1077855302 /nfs/dbraw/zinc/85/53/02/1077855302.db2.gz JWQJFJCYFPQGMF-OAHLLOKOSA-N 1 0 416.613 0.843 20 0 HCADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccc(F)cc1F ZINC000495637106 1077855709 /nfs/dbraw/zinc/85/57/09/1077855709.db2.gz JIYNSGZVSMWBGB-GUYCJALGSA-N 1 0 408.449 0.907 20 0 HCADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccc(F)cc1F ZINC000495637107 1077855673 /nfs/dbraw/zinc/85/56/73/1077855673.db2.gz JIYNSGZVSMWBGB-SUMWQHHRSA-N 1 0 408.449 0.907 20 0 HCADRO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000495639963 1077855693 /nfs/dbraw/zinc/85/56/93/1077855693.db2.gz YQOPQHISGWWDKK-CYBMUJFWSA-N 1 0 407.906 0.938 20 0 HCADRO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000495639964 1077855959 /nfs/dbraw/zinc/85/59/59/1077855959.db2.gz YQOPQHISGWWDKK-ZDUSSCGKSA-N 1 0 407.906 0.938 20 0 HCADRO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000495653287 1077857328 /nfs/dbraw/zinc/85/73/28/1077857328.db2.gz HUFJHYDBYIEAFP-BEFAXECRSA-N 1 0 403.506 0.904 20 0 HCADRO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000495653290 1077857319 /nfs/dbraw/zinc/85/73/19/1077857319.db2.gz HUFJHYDBYIEAFP-DNVCBOLYSA-N 1 0 403.506 0.904 20 0 HCADRO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000495653291 1077857246 /nfs/dbraw/zinc/85/72/46/1077857246.db2.gz HUFJHYDBYIEAFP-HNAYVOBHSA-N 1 0 403.506 0.904 20 0 HCADRO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000495653292 1077857275 /nfs/dbraw/zinc/85/72/75/1077857275.db2.gz HUFJHYDBYIEAFP-KXBFYZLASA-N 1 0 403.506 0.904 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000495653990 1077857306 /nfs/dbraw/zinc/85/73/06/1077857306.db2.gz JZYWIIMWFMZKSY-GFCCVEGCSA-N 1 0 416.320 0.101 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000495653991 1077857264 /nfs/dbraw/zinc/85/72/64/1077857264.db2.gz JZYWIIMWFMZKSY-LBPRGKRZSA-N 1 0 416.320 0.101 20 0 HCADRO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C[NH+]1CCN(C)CC1 ZINC000495654083 1077857490 /nfs/dbraw/zinc/85/74/90/1077857490.db2.gz KRFKECPFUSYPIT-INIZCTEOSA-N 1 0 408.568 0.988 20 0 HCADRO C[C@H](CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C[NH+]1CCN(C)CC1 ZINC000495654086 1077857450 /nfs/dbraw/zinc/85/74/50/1077857450.db2.gz KRFKECPFUSYPIT-MRXNPFEDSA-N 1 0 408.568 0.988 20 0 HCADRO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000495655645 1077858496 /nfs/dbraw/zinc/85/84/96/1077858496.db2.gz OIKBLEZYEBTSER-BEFAXECRSA-N 1 0 403.506 0.904 20 0 HCADRO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000495655646 1077858510 /nfs/dbraw/zinc/85/85/10/1077858510.db2.gz OIKBLEZYEBTSER-DNVCBOLYSA-N 1 0 403.506 0.904 20 0 HCADRO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000495655647 1077858684 /nfs/dbraw/zinc/85/86/84/1077858684.db2.gz OIKBLEZYEBTSER-HNAYVOBHSA-N 1 0 403.506 0.904 20 0 HCADRO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000495655648 1077858670 /nfs/dbraw/zinc/85/86/70/1077858670.db2.gz OIKBLEZYEBTSER-KXBFYZLASA-N 1 0 403.506 0.904 20 0 HCADRO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000495658666 1077858236 /nfs/dbraw/zinc/85/82/36/1077858236.db2.gz ZGEROPVTHCBKPY-INIZCTEOSA-N 1 0 412.556 0.225 20 0 HCADRO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000495658667 1077858277 /nfs/dbraw/zinc/85/82/77/1077858277.db2.gz ZGEROPVTHCBKPY-MRXNPFEDSA-N 1 0 412.556 0.225 20 0 HCADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000495669811 1077860314 /nfs/dbraw/zinc/86/03/14/1077860314.db2.gz JDQLWTSTIGASFX-AWEZNQCLSA-N 1 0 415.437 0.942 20 0 HCADRO CC[C@H](CO)[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000495669812 1077860279 /nfs/dbraw/zinc/86/02/79/1077860279.db2.gz JDQLWTSTIGASFX-CQSZACIVSA-N 1 0 415.437 0.942 20 0 HCADRO CS[C@H]1CN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1[NH+](C)C ZINC000495671166 1077861351 /nfs/dbraw/zinc/86/13/51/1077861351.db2.gz NMTZBUSUDWEHLP-CVEARBPZSA-N 1 0 406.556 0.409 20 0 HCADRO CS[C@H]1CN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1[NH+](C)C ZINC000495671167 1077861308 /nfs/dbraw/zinc/86/13/08/1077861308.db2.gz NMTZBUSUDWEHLP-HOTGVXAUSA-N 1 0 406.556 0.409 20 0 HCADRO CS[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1[NH+](C)C ZINC000495671168 1077861334 /nfs/dbraw/zinc/86/13/34/1077861334.db2.gz NMTZBUSUDWEHLP-HZPDHXFCSA-N 1 0 406.556 0.409 20 0 HCADRO CS[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1[NH+](C)C ZINC000495671169 1077861289 /nfs/dbraw/zinc/86/12/89/1077861289.db2.gz NMTZBUSUDWEHLP-JKSUJKDBSA-N 1 0 406.556 0.409 20 0 HCADRO CS[C@H]1CN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)C[C@H]1[NH+](C)C ZINC000495673940 1077860502 /nfs/dbraw/zinc/86/05/02/1077860502.db2.gz WZOXNHJGPAJUSW-MSOLQXFVSA-N 1 0 404.536 0.829 20 0 HCADRO CS[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)C[C@H]1[NH+](C)C ZINC000495673941 1077860536 /nfs/dbraw/zinc/86/05/36/1077860536.db2.gz WZOXNHJGPAJUSW-QZTJIDSGSA-N 1 0 404.536 0.829 20 0 HCADRO CS[C@H]1CN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)C[C@@H]1[NH+](C)C ZINC000495673942 1077860511 /nfs/dbraw/zinc/86/05/11/1077860511.db2.gz WZOXNHJGPAJUSW-ROUUACIJSA-N 1 0 404.536 0.829 20 0 HCADRO CS[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)C[C@@H]1[NH+](C)C ZINC000495673943 1077860478 /nfs/dbraw/zinc/86/04/78/1077860478.db2.gz WZOXNHJGPAJUSW-ZWKOTPCHSA-N 1 0 404.536 0.829 20 0 HCADRO CC[NH+]1CCN(CCC(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 ZINC000495673961 1077860488 /nfs/dbraw/zinc/86/04/88/1077860488.db2.gz XKGUAXVONMGGJB-UHFFFAOYSA-N 1 0 410.540 0.212 20 0 HCADRO CS[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C[C@@H]1[NH+](C)C ZINC000495681604 1077862189 /nfs/dbraw/zinc/86/21/89/1077862189.db2.gz JWEDOTCQIMVXOV-FPMFFAJLSA-N 1 0 403.574 0.208 20 0 HCADRO CS[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C[C@H]1[NH+](C)C ZINC000495681605 1077862148 /nfs/dbraw/zinc/86/21/48/1077862148.db2.gz JWEDOTCQIMVXOV-IACUBPJLSA-N 1 0 403.574 0.208 20 0 HCADRO CS[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C[C@@H]1[NH+](C)C ZINC000495681606 1077862137 /nfs/dbraw/zinc/86/21/37/1077862137.db2.gz JWEDOTCQIMVXOV-KWCYVHTRSA-N 1 0 403.574 0.208 20 0 HCADRO CS[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C[C@H]1[NH+](C)C ZINC000495681607 1077862170 /nfs/dbraw/zinc/86/21/70/1077862170.db2.gz JWEDOTCQIMVXOV-MRVWCRGKSA-N 1 0 403.574 0.208 20 0 HCADRO CS[C@@H]1CN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@@H]1[NH+](C)C ZINC000495682335 1077862574 /nfs/dbraw/zinc/86/25/74/1077862574.db2.gz OYJUISQQMFXQFL-DLBZAZTESA-N 1 0 402.520 0.562 20 0 HCADRO CS[C@@H]1CN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@H]1[NH+](C)C ZINC000495682336 1077862609 /nfs/dbraw/zinc/86/26/09/1077862609.db2.gz OYJUISQQMFXQFL-IAGOWNOFSA-N 1 0 402.520 0.562 20 0 HCADRO CS[C@H]1CN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@@H]1[NH+](C)C ZINC000495682337 1077862625 /nfs/dbraw/zinc/86/26/25/1077862625.db2.gz OYJUISQQMFXQFL-IRXDYDNUSA-N 1 0 402.520 0.562 20 0 HCADRO CS[C@H]1CN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@H]1[NH+](C)C ZINC000495682338 1077862565 /nfs/dbraw/zinc/86/25/65/1077862565.db2.gz OYJUISQQMFXQFL-SJORKVTESA-N 1 0 402.520 0.562 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000495682756 1077862435 /nfs/dbraw/zinc/86/24/35/1077862435.db2.gz TWFFBCDYJADTGM-MSOLQXFVSA-N 1 0 402.605 0.971 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000495682757 1077862372 /nfs/dbraw/zinc/86/23/72/1077862372.db2.gz TWFFBCDYJADTGM-QZTJIDSGSA-N 1 0 402.605 0.971 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000495682758 1077862406 /nfs/dbraw/zinc/86/24/06/1077862406.db2.gz TWFFBCDYJADTGM-ROUUACIJSA-N 1 0 402.605 0.971 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000495682759 1077862589 /nfs/dbraw/zinc/86/25/89/1077862589.db2.gz TWFFBCDYJADTGM-ZWKOTPCHSA-N 1 0 402.605 0.971 20 0 HCADRO COc1ccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1S(=O)(=O)N(C)C ZINC000495682791 1077862326 /nfs/dbraw/zinc/86/23/26/1077862326.db2.gz URRVHAVCOHNPMY-HNNXBMFYSA-N 1 0 412.556 0.559 20 0 HCADRO COc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1S(=O)(=O)N(C)C ZINC000495682792 1077862351 /nfs/dbraw/zinc/86/23/51/1077862351.db2.gz URRVHAVCOHNPMY-OAHLLOKOSA-N 1 0 412.556 0.559 20 0 HCADRO CS[C@@H]1CN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)C[C@H]1[NH+](C)C ZINC000495682925 1077862140 /nfs/dbraw/zinc/86/21/40/1077862140.db2.gz VEPOEJXQRZHJNH-LMMKCTJWSA-N 1 0 416.547 0.966 20 0 HCADRO CS[C@@H]1CN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)C[C@@H]1[NH+](C)C ZINC000495682926 1077862165 /nfs/dbraw/zinc/86/21/65/1077862165.db2.gz VEPOEJXQRZHJNH-SCTDSRPQSA-N 1 0 416.547 0.966 20 0 HCADRO CS[C@@H]1CN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)C[C@@H]1[NH+](C)C ZINC000495682927 1077862186 /nfs/dbraw/zinc/86/21/86/1077862186.db2.gz VEPOEJXQRZHJNH-YQVWRLOYSA-N 1 0 416.547 0.966 20 0 HCADRO CS[C@@H]1CN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)C[C@H]1[NH+](C)C ZINC000495682928 1077862360 /nfs/dbraw/zinc/86/23/60/1077862360.db2.gz VEPOEJXQRZHJNH-ZHALLVOQSA-N 1 0 416.547 0.966 20 0 HCADRO COCCOCC(=O)NC1CCC(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)CC1 ZINC000495682933 1077862416 /nfs/dbraw/zinc/86/24/16/1077862416.db2.gz VFFZSGFTVURBGU-BACDZXNISA-N 1 0 401.573 0.828 20 0 HCADRO COCCOCC(=O)NC1CCC(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)CC1 ZINC000495682934 1077862394 /nfs/dbraw/zinc/86/23/94/1077862394.db2.gz VFFZSGFTVURBGU-BHUNQDJPSA-N 1 0 401.573 0.828 20 0 HCADRO COCCOCC(=O)NC1CCC(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)CC1 ZINC000495682935 1077862338 /nfs/dbraw/zinc/86/23/38/1077862338.db2.gz VFFZSGFTVURBGU-GQGLESIBSA-N 1 0 401.573 0.828 20 0 HCADRO COCCOCC(=O)NC1CCC(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)CC1 ZINC000495682936 1077862379 /nfs/dbraw/zinc/86/23/79/1077862379.db2.gz VFFZSGFTVURBGU-SJJHQCBESA-N 1 0 401.573 0.828 20 0 HCADRO C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)C[NH+]1CCN(C)CC1 ZINC000495695366 1077864699 /nfs/dbraw/zinc/86/46/99/1077864699.db2.gz CACOVNUHYQLPBG-CABCVRRESA-N 1 0 400.520 0.492 20 0 HCADRO C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)C[NH+]1CCN(C)CC1 ZINC000495695367 1077864746 /nfs/dbraw/zinc/86/47/46/1077864746.db2.gz CACOVNUHYQLPBG-GJZGRUSLSA-N 1 0 400.520 0.492 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)CC1 ZINC000495696648 1077864690 /nfs/dbraw/zinc/86/46/90/1077864690.db2.gz MFXGUBVYKCWHPH-HNNXBMFYSA-N 1 0 412.556 0.607 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)CC1 ZINC000495696649 1077864754 /nfs/dbraw/zinc/86/47/54/1077864754.db2.gz MFXGUBVYKCWHPH-OAHLLOKOSA-N 1 0 412.556 0.607 20 0 HCADRO COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C2)cc1 ZINC000495697844 1077864909 /nfs/dbraw/zinc/86/49/09/1077864909.db2.gz ZNDVNKYNBIARSI-IBGZPJMESA-N 1 0 423.535 0.828 20 0 HCADRO COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C2)cc1 ZINC000495697845 1077864939 /nfs/dbraw/zinc/86/49/39/1077864939.db2.gz ZNDVNKYNBIARSI-LJQANCHMSA-N 1 0 423.535 0.828 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000495711976 1077867814 /nfs/dbraw/zinc/86/78/14/1077867814.db2.gz IMPBWMGVUFCZQB-BATSVXPKSA-N 1 0 407.559 0.877 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000495711977 1077867836 /nfs/dbraw/zinc/86/78/36/1077867836.db2.gz IMPBWMGVUFCZQB-BQIYRTECSA-N 1 0 407.559 0.877 20 0 HCADRO CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@H]1[NH+](C)C ZINC000495713964 1077866781 /nfs/dbraw/zinc/86/67/81/1077866781.db2.gz VGDNBSJGICUPGQ-CABCVRRESA-N 1 0 402.542 0.153 20 0 HCADRO CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@@H]1[NH+](C)C ZINC000495713965 1077866932 /nfs/dbraw/zinc/86/69/32/1077866932.db2.gz VGDNBSJGICUPGQ-GJZGRUSLSA-N 1 0 402.542 0.153 20 0 HCADRO CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@H]1[NH+](C)C ZINC000495713966 1077866963 /nfs/dbraw/zinc/86/69/63/1077866963.db2.gz VGDNBSJGICUPGQ-HUUCEWRRSA-N 1 0 402.542 0.153 20 0 HCADRO CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@@H]1[NH+](C)C ZINC000495713967 1077866904 /nfs/dbraw/zinc/86/69/04/1077866904.db2.gz VGDNBSJGICUPGQ-LSDHHAIUSA-N 1 0 402.542 0.153 20 0 HCADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(F)cc1F ZINC000495723392 1077868190 /nfs/dbraw/zinc/86/81/90/1077868190.db2.gz GCODMTXGCPRZAW-AWEZNQCLSA-N 1 0 408.449 0.909 20 0 HCADRO COc1c(F)cc(CC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1S(N)(=O)=O ZINC000495726979 1077870911 /nfs/dbraw/zinc/87/09/11/1077870911.db2.gz IANHBQNABOKAKJ-CHWSQXEVSA-N 1 0 405.517 0.528 20 0 HCADRO COc1c(F)cc(CC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1S(N)(=O)=O ZINC000495726980 1077870928 /nfs/dbraw/zinc/87/09/28/1077870928.db2.gz IANHBQNABOKAKJ-OLZOCXBDSA-N 1 0 405.517 0.528 20 0 HCADRO COc1c(F)cc(CC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1S(N)(=O)=O ZINC000495726981 1077870975 /nfs/dbraw/zinc/87/09/75/1077870975.db2.gz IANHBQNABOKAKJ-QWHCGFSZSA-N 1 0 405.517 0.528 20 0 HCADRO COc1c(F)cc(CC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1S(N)(=O)=O ZINC000495726982 1077870956 /nfs/dbraw/zinc/87/09/56/1077870956.db2.gz IANHBQNABOKAKJ-STQMWFEESA-N 1 0 405.517 0.528 20 0 HCADRO CCc1c(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000495726984 1077870904 /nfs/dbraw/zinc/87/09/04/1077870904.db2.gz IEQKYCSYCHKANC-KBPBESRZSA-N 1 0 405.524 0.312 20 0 HCADRO CCc1c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000495726985 1077870949 /nfs/dbraw/zinc/87/09/49/1077870949.db2.gz IEQKYCSYCHKANC-KGLIPLIRSA-N 1 0 405.524 0.312 20 0 HCADRO CCc1c(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000495726986 1077870971 /nfs/dbraw/zinc/87/09/71/1077870971.db2.gz IEQKYCSYCHKANC-UONOGXRCSA-N 1 0 405.524 0.312 20 0 HCADRO CCc1c(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000495726987 1077871119 /nfs/dbraw/zinc/87/11/19/1077871119.db2.gz IEQKYCSYCHKANC-ZIAGYGMSSA-N 1 0 405.524 0.312 20 0 HCADRO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H]1[NH+](C)C ZINC000495728757 1077873175 /nfs/dbraw/zinc/87/31/75/1077873175.db2.gz OLCJFINCTDGGGA-DLBZAZTESA-N 1 0 413.565 0.825 20 0 HCADRO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1[NH+](C)C ZINC000495728758 1077873314 /nfs/dbraw/zinc/87/33/14/1077873314.db2.gz OLCJFINCTDGGGA-IAGOWNOFSA-N 1 0 413.565 0.825 20 0 HCADRO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H]1[NH+](C)C ZINC000495728759 1077873358 /nfs/dbraw/zinc/87/33/58/1077873358.db2.gz OLCJFINCTDGGGA-IRXDYDNUSA-N 1 0 413.565 0.825 20 0 HCADRO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1[NH+](C)C ZINC000495728760 1077873321 /nfs/dbraw/zinc/87/33/21/1077873321.db2.gz OLCJFINCTDGGGA-SJORKVTESA-N 1 0 413.565 0.825 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[N@@H+](C)CC2)cc1C ZINC000495730163 1077872172 /nfs/dbraw/zinc/87/21/72/1077872172.db2.gz UDKHMVHISAVTQO-KRWDZBQOSA-N 1 0 410.540 0.380 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CCC[N@@H+](C)CC2)cc1C ZINC000495730164 1077872179 /nfs/dbraw/zinc/87/21/79/1077872179.db2.gz UDKHMVHISAVTQO-QGZVFWFLSA-N 1 0 410.540 0.380 20 0 HCADRO CN1C(=O)C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000495730197 1077872200 /nfs/dbraw/zinc/87/22/00/1077872200.db2.gz UOWSSPONHFRQMG-ACWOFJMJSA-N 1 0 408.449 0.763 20 0 HCADRO CN1C(=O)C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000495730198 1077872107 /nfs/dbraw/zinc/87/21/07/1077872107.db2.gz UOWSSPONHFRQMG-AZOIQLNYSA-N 1 0 408.449 0.763 20 0 HCADRO CN1C(=O)C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000495730199 1077872196 /nfs/dbraw/zinc/87/21/96/1077872196.db2.gz UOWSSPONHFRQMG-NRXGSXMXSA-N 1 0 408.449 0.763 20 0 HCADRO CN1C(=O)C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000495730200 1077872439 /nfs/dbraw/zinc/87/24/39/1077872439.db2.gz UOWSSPONHFRQMG-VVFCZOMOSA-N 1 0 408.449 0.763 20 0 HCADRO CS[C@H]1CN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)C[C@H]1[NH+](C)C ZINC000495730603 1077872126 /nfs/dbraw/zinc/87/21/26/1077872126.db2.gz VOGQKUOATPTHQR-CVEARBPZSA-N 1 0 409.556 0.764 20 0 HCADRO CS[C@H]1CN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)C[C@@H]1[NH+](C)C ZINC000495730611 1077872208 /nfs/dbraw/zinc/87/22/08/1077872208.db2.gz VOGQKUOATPTHQR-HOTGVXAUSA-N 1 0 409.556 0.764 20 0 HCADRO CS[C@@H]1CN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)C[C@H]1[NH+](C)C ZINC000495730613 1077872115 /nfs/dbraw/zinc/87/21/15/1077872115.db2.gz VOGQKUOATPTHQR-HZPDHXFCSA-N 1 0 409.556 0.764 20 0 HCADRO CS[C@@H]1CN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)C[C@@H]1[NH+](C)C ZINC000495730615 1077872167 /nfs/dbraw/zinc/87/21/67/1077872167.db2.gz VOGQKUOATPTHQR-JKSUJKDBSA-N 1 0 409.556 0.764 20 0 HCADRO 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JUFJYKOUJAISGT-DYVFJYSZSA-N 1 0 424.498 0.857 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)[C@H]2C1 ZINC000495965687 1077954090 /nfs/dbraw/zinc/95/40/90/1077954090.db2.gz JUFJYKOUJAISGT-GUYCJALGSA-N 1 0 424.498 0.857 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)[C@@H]2C1 ZINC000495965690 1077954224 /nfs/dbraw/zinc/95/42/24/1077954224.db2.gz JUFJYKOUJAISGT-SUMWQHHRSA-N 1 0 424.498 0.857 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000495966134 1077954168 /nfs/dbraw/zinc/95/41/68/1077954168.db2.gz LBBAPIQPFHQOSD-BLLLJJGKSA-N 1 0 412.487 0.567 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000495966137 1077954238 /nfs/dbraw/zinc/95/42/38/1077954238.db2.gz LBBAPIQPFHQOSD-LRDDRELGSA-N 1 0 412.487 0.567 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000495966138 1077954312 /nfs/dbraw/zinc/95/43/12/1077954312.db2.gz LBBAPIQPFHQOSD-MLGOLLRUSA-N 1 0 412.487 0.567 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000495966139 1077954050 /nfs/dbraw/zinc/95/40/50/1077954050.db2.gz LBBAPIQPFHQOSD-WBMJQRKESA-N 1 0 412.487 0.567 20 0 HCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495968587 1077955904 /nfs/dbraw/zinc/95/59/04/1077955904.db2.gz OPFLPZNPPBDNNI-KBXCAEBGSA-N 1 0 420.535 0.961 20 0 HCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495968589 1077955779 /nfs/dbraw/zinc/95/57/79/1077955779.db2.gz OPFLPZNPPBDNNI-KDOFPFPSSA-N 1 0 420.535 0.961 20 0 HCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495968591 1077955622 /nfs/dbraw/zinc/95/56/22/1077955622.db2.gz OPFLPZNPPBDNNI-KSSFIOAISA-N 1 0 420.535 0.961 20 0 HCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495968594 1077955948 /nfs/dbraw/zinc/95/59/48/1077955948.db2.gz OPFLPZNPPBDNNI-RDTXWAMCSA-N 1 0 420.535 0.961 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000495969374 1077955686 /nfs/dbraw/zinc/95/56/86/1077955686.db2.gz QAMIOBMUYPBZKK-HKUYNNGSSA-N 1 0 414.506 0.579 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000495969377 1077955725 /nfs/dbraw/zinc/95/57/25/1077955725.db2.gz QAMIOBMUYPBZKK-IEBWSBKVSA-N 1 0 414.506 0.579 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000495969378 1077955834 /nfs/dbraw/zinc/95/58/34/1077955834.db2.gz QAMIOBMUYPBZKK-MJGOQNOKSA-N 1 0 414.506 0.579 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000495969379 1077955545 /nfs/dbraw/zinc/95/55/45/1077955545.db2.gz QAMIOBMUYPBZKK-PKOBYXMFSA-N 1 0 414.506 0.579 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc4c3CCN(S(C)(=O)=O)C4)[C@@H]2C1 ZINC000495969466 1077955662 /nfs/dbraw/zinc/95/56/62/1077955662.db2.gz QLCSMPNUSGITRH-KBXCAEBGSA-N 1 0 420.535 0.495 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc4c3CCN(S(C)(=O)=O)C4)[C@H]2C1 ZINC000495969467 1077956420 /nfs/dbraw/zinc/95/64/20/1077956420.db2.gz QLCSMPNUSGITRH-KDOFPFPSSA-N 1 0 420.535 0.495 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc4c3CCN(S(C)(=O)=O)C4)[C@H]2C1 ZINC000495969468 1077956291 /nfs/dbraw/zinc/95/62/91/1077956291.db2.gz QLCSMPNUSGITRH-KSSFIOAISA-N 1 0 420.535 0.495 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc4c3CCN(S(C)(=O)=O)C4)[C@@H]2C1 ZINC000495969469 1077956537 /nfs/dbraw/zinc/95/65/37/1077956537.db2.gz QLCSMPNUSGITRH-RDTXWAMCSA-N 1 0 420.535 0.495 20 0 HCADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)cc2)CC1 ZINC000495971695 1077956443 /nfs/dbraw/zinc/95/64/43/1077956443.db2.gz WEIXXMNYJNNDMB-APWZRJJASA-N 1 0 413.522 0.565 20 0 HCADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cc2)CC1 ZINC000495971696 1077956667 /nfs/dbraw/zinc/95/66/67/1077956667.db2.gz WEIXXMNYJNNDMB-LPHOPBHVSA-N 1 0 413.522 0.565 20 0 HCADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cc2)CC1 ZINC000495971698 1077956332 /nfs/dbraw/zinc/95/63/32/1077956332.db2.gz WEIXXMNYJNNDMB-QFBILLFUSA-N 1 0 413.522 0.565 20 0 HCADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)cc2)CC1 ZINC000495971700 1077956169 /nfs/dbraw/zinc/95/61/69/1077956169.db2.gz WEIXXMNYJNNDMB-VQIMIIECSA-N 1 0 413.522 0.565 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)[C@@H]2C1 ZINC000495972424 1077956497 /nfs/dbraw/zinc/95/64/97/1077956497.db2.gz YDFULKMBYMXXRQ-CRAIPNDOSA-N 1 0 400.479 0.650 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)[C@@H]2C1 ZINC000495972425 1077956192 /nfs/dbraw/zinc/95/61/92/1077956192.db2.gz YDFULKMBYMXXRQ-MAUKXSAKSA-N 1 0 400.479 0.650 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)[C@H]2C1 ZINC000495972426 1077956225 /nfs/dbraw/zinc/95/62/25/1077956225.db2.gz YDFULKMBYMXXRQ-QAPCUYQASA-N 1 0 400.479 0.650 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)[C@H]2C1 ZINC000495972427 1077956646 /nfs/dbraw/zinc/95/66/46/1077956646.db2.gz YDFULKMBYMXXRQ-YJBOKZPZSA-N 1 0 400.479 0.650 20 0 HCADRO O=C(CN1CCCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1)N1CCCC1 ZINC000495982259 1077959211 /nfs/dbraw/zinc/95/92/11/1077959211.db2.gz OAIFITMZDXJINK-HDICACEKSA-N 1 0 418.538 0.708 20 0 HCADRO O=C(CN1CCCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1)N1CCCC1 ZINC000495982261 1077959191 /nfs/dbraw/zinc/95/91/91/1077959191.db2.gz OAIFITMZDXJINK-QZTJIDSGSA-N 1 0 418.538 0.708 20 0 HCADRO O=C(CN1CCCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1)N1CCCC1 ZINC000495982264 1077959262 /nfs/dbraw/zinc/95/92/62/1077959262.db2.gz OAIFITMZDXJINK-ROUUACIJSA-N 1 0 418.538 0.708 20 0 HCADRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000495984967 1077958840 /nfs/dbraw/zinc/95/88/40/1077958840.db2.gz BYDZQOLBVDCUGF-APWZRJJASA-N 1 0 414.506 0.959 20 0 HCADRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000495984970 1077958970 /nfs/dbraw/zinc/95/89/70/1077958970.db2.gz BYDZQOLBVDCUGF-LPHOPBHVSA-N 1 0 414.506 0.959 20 0 HCADRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000495984972 1077958644 /nfs/dbraw/zinc/95/86/44/1077958644.db2.gz BYDZQOLBVDCUGF-QFBILLFUSA-N 1 0 414.506 0.959 20 0 HCADRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000495984973 1077958915 /nfs/dbraw/zinc/95/89/15/1077958915.db2.gz BYDZQOLBVDCUGF-VQIMIIECSA-N 1 0 414.506 0.959 20 0 HCADRO COC[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(C)o1 ZINC000495985395 1077958752 /nfs/dbraw/zinc/95/87/52/1077958752.db2.gz DIGFSQCITGMQRR-INIZCTEOSA-N 1 0 406.483 0.158 20 0 HCADRO COC[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(C)o1 ZINC000495985396 1077958692 /nfs/dbraw/zinc/95/86/92/1077958692.db2.gz DIGFSQCITGMQRR-MRXNPFEDSA-N 1 0 406.483 0.158 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](COC)c2ccc(C)o2)CC1 ZINC000495991548 1077960164 /nfs/dbraw/zinc/96/01/64/1077960164.db2.gz PIROYUYVQGTBCY-INIZCTEOSA-N 1 0 408.499 0.404 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](COC)c2ccc(C)o2)CC1 ZINC000495991550 1077960094 /nfs/dbraw/zinc/96/00/94/1077960094.db2.gz PIROYUYVQGTBCY-MRXNPFEDSA-N 1 0 408.499 0.404 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000496015195 1077965992 /nfs/dbraw/zinc/96/59/92/1077965992.db2.gz RWGUSWDXPSTDPH-BBRMVZONSA-N 1 0 424.523 0.437 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000496015196 1077966090 /nfs/dbraw/zinc/96/60/90/1077966090.db2.gz RWGUSWDXPSTDPH-CJNGLKHVSA-N 1 0 424.523 0.437 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000496015197 1077966633 /nfs/dbraw/zinc/96/66/33/1077966633.db2.gz RWGUSWDXPSTDPH-CZUORRHYSA-N 1 0 424.523 0.437 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000496015198 1077966489 /nfs/dbraw/zinc/96/64/89/1077966489.db2.gz RWGUSWDXPSTDPH-XJKSGUPXSA-N 1 0 424.523 0.437 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)[C@@H]2C1 ZINC000496016136 1077966525 /nfs/dbraw/zinc/96/65/25/1077966525.db2.gz USSNVFQBPMDUJQ-CRAIPNDOSA-N 1 0 420.535 0.413 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)[C@@H]2C1 ZINC000496016137 1077966386 /nfs/dbraw/zinc/96/63/86/1077966386.db2.gz USSNVFQBPMDUJQ-MAUKXSAKSA-N 1 0 420.535 0.413 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)[C@H]2C1 ZINC000496016139 1077966454 /nfs/dbraw/zinc/96/64/54/1077966454.db2.gz USSNVFQBPMDUJQ-QAPCUYQASA-N 1 0 420.535 0.413 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)[C@H]2C1 ZINC000496016140 1077966338 /nfs/dbraw/zinc/96/63/38/1077966338.db2.gz USSNVFQBPMDUJQ-YJBOKZPZSA-N 1 0 420.535 0.413 20 0 HCADRO Cn1cc(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(-c2ccccc2)n1 ZINC000496017724 1077967112 /nfs/dbraw/zinc/96/71/12/1077967112.db2.gz YYWQWXXVLWWMBV-UHFFFAOYSA-N 1 0 412.538 0.846 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(CC[NH+](C)C)C(C)C)c2)CC1 ZINC000496027185 1077968691 /nfs/dbraw/zinc/96/86/91/1077968691.db2.gz FSOUGYHGXXROBL-UHFFFAOYSA-N 1 0 424.567 0.952 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)[C@H]2C1 ZINC000496032963 1077970667 /nfs/dbraw/zinc/97/06/67/1077970667.db2.gz KIMRCCFKFYQLAW-PBHICJAKSA-N 1 0 406.508 0.718 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)[C@@H]2C1 ZINC000496032964 1077970581 /nfs/dbraw/zinc/97/05/81/1077970581.db2.gz KIMRCCFKFYQLAW-RHSMWYFYSA-N 1 0 406.508 0.718 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)[C@@H]2C1 ZINC000496032965 1077970496 /nfs/dbraw/zinc/97/04/96/1077970496.db2.gz KIMRCCFKFYQLAW-WMLDXEAASA-N 1 0 406.508 0.718 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)[C@H]2C1 ZINC000496032966 1077970356 /nfs/dbraw/zinc/97/03/56/1077970356.db2.gz KIMRCCFKFYQLAW-YOEHRIQHSA-N 1 0 406.508 0.718 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000496033136 1077970614 /nfs/dbraw/zinc/97/06/14/1077970614.db2.gz LWTRUHSTGLDHSP-BBRMVZONSA-N 1 0 402.451 0.081 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000496033137 1077970419 /nfs/dbraw/zinc/97/04/19/1077970419.db2.gz LWTRUHSTGLDHSP-CJNGLKHVSA-N 1 0 402.451 0.081 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000496033138 1077970560 /nfs/dbraw/zinc/97/05/60/1077970560.db2.gz LWTRUHSTGLDHSP-CZUORRHYSA-N 1 0 402.451 0.081 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000496033139 1077970305 /nfs/dbraw/zinc/97/03/05/1077970305.db2.gz LWTRUHSTGLDHSP-XJKSGUPXSA-N 1 0 402.451 0.081 20 0 HCADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000496033322 1077970534 /nfs/dbraw/zinc/97/05/34/1077970534.db2.gz NFYZFHJBLIFKBD-PBHICJAKSA-N 1 0 408.524 0.864 20 0 HCADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000496033323 1077970382 /nfs/dbraw/zinc/97/03/82/1077970382.db2.gz NFYZFHJBLIFKBD-RHSMWYFYSA-N 1 0 408.524 0.864 20 0 HCADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000496033324 1077970263 /nfs/dbraw/zinc/97/02/63/1077970263.db2.gz NFYZFHJBLIFKBD-WMLDXEAASA-N 1 0 408.524 0.864 20 0 HCADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000496033325 1077969866 /nfs/dbraw/zinc/96/98/66/1077969866.db2.gz NFYZFHJBLIFKBD-YOEHRIQHSA-N 1 0 408.524 0.864 20 0 HCADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000496034218 1077973718 /nfs/dbraw/zinc/97/37/18/1077973718.db2.gz QYOVEYKSZFBKLK-DOMZBBRYSA-N 1 0 401.496 0.875 20 0 HCADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000496034219 1077973559 /nfs/dbraw/zinc/97/35/59/1077973559.db2.gz QYOVEYKSZFBKLK-IUODEOHRSA-N 1 0 401.496 0.875 20 0 HCADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000496034220 1077973734 /nfs/dbraw/zinc/97/37/34/1077973734.db2.gz QYOVEYKSZFBKLK-SWLSCSKDSA-N 1 0 401.496 0.875 20 0 HCADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000496034221 1077973581 /nfs/dbraw/zinc/97/35/81/1077973581.db2.gz QYOVEYKSZFBKLK-WFASDCNBSA-N 1 0 401.496 0.875 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[C@@H]2C1 ZINC000496034540 1077974162 /nfs/dbraw/zinc/97/41/62/1077974162.db2.gz SJTBHSYRQTUDCA-CRAIPNDOSA-N 1 0 420.535 0.962 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[C@@H]2C1 ZINC000496034541 1077974543 /nfs/dbraw/zinc/97/45/43/1077974543.db2.gz SJTBHSYRQTUDCA-MAUKXSAKSA-N 1 0 420.535 0.962 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[C@H]2C1 ZINC000496034542 1077974221 /nfs/dbraw/zinc/97/42/21/1077974221.db2.gz SJTBHSYRQTUDCA-QAPCUYQASA-N 1 0 420.535 0.962 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[C@H]2C1 ZINC000496034543 1077974079 /nfs/dbraw/zinc/97/40/79/1077974079.db2.gz SJTBHSYRQTUDCA-YJBOKZPZSA-N 1 0 420.535 0.962 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)[C@@H]2C1 ZINC000496034710 1077973751 /nfs/dbraw/zinc/97/37/51/1077973751.db2.gz SXOUNQPMRDSQNI-CXAGYDPISA-N 1 0 424.498 0.857 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)[C@H]2C1 ZINC000496034711 1077973527 /nfs/dbraw/zinc/97/35/27/1077973527.db2.gz SXOUNQPMRDSQNI-DYVFJYSZSA-N 1 0 424.498 0.857 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)[C@H]2C1 ZINC000496034712 1077974197 /nfs/dbraw/zinc/97/41/97/1077974197.db2.gz SXOUNQPMRDSQNI-GUYCJALGSA-N 1 0 424.498 0.857 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)[C@@H]2C1 ZINC000496034713 1077974450 /nfs/dbraw/zinc/97/44/50/1077974450.db2.gz SXOUNQPMRDSQNI-SUMWQHHRSA-N 1 0 424.498 0.857 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(OCC(=O)N(C)C)c1 ZINC000496035147 1077973688 /nfs/dbraw/zinc/97/36/88/1077973688.db2.gz VXYXVORNIJROEK-DOTOQJQBSA-N 1 0 402.495 0.953 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c(OCC(=O)N(C)C)c1 ZINC000496035148 1077973448 /nfs/dbraw/zinc/97/34/48/1077973448.db2.gz VXYXVORNIJROEK-NVXWUHKLSA-N 1 0 402.495 0.953 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(OCC(=O)N(C)C)c1 ZINC000496035149 1077973594 /nfs/dbraw/zinc/97/35/94/1077973594.db2.gz VXYXVORNIJROEK-RDJZCZTQSA-N 1 0 402.495 0.953 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(OCC(=O)N(C)C)c1 ZINC000496035150 1077973642 /nfs/dbraw/zinc/97/36/42/1077973642.db2.gz VXYXVORNIJROEK-WBVHZDCISA-N 1 0 402.495 0.953 20 0 HCADRO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000496044840 1077978002 /nfs/dbraw/zinc/97/80/02/1077978002.db2.gz HNAPZEBRYVNRHI-UHFFFAOYSA-N 1 0 420.535 0.508 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000496046514 1077974820 /nfs/dbraw/zinc/97/48/20/1077974820.db2.gz NAOAAJUQSJYFHS-UHFFFAOYSA-N 1 0 400.570 0.900 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000496048969 1077975474 /nfs/dbraw/zinc/97/54/74/1077975474.db2.gz UEVGHWNGYRJMOP-INIZCTEOSA-N 1 0 402.495 0.564 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000496048974 1077975553 /nfs/dbraw/zinc/97/55/53/1077975553.db2.gz UEVGHWNGYRJMOP-MRXNPFEDSA-N 1 0 402.495 0.564 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000496049521 1077975304 /nfs/dbraw/zinc/97/53/04/1077975304.db2.gz BXOGRTPOQQEQJA-CRAIPNDOSA-N 1 0 400.479 0.650 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000496049522 1077975853 /nfs/dbraw/zinc/97/58/53/1077975853.db2.gz BXOGRTPOQQEQJA-MAUKXSAKSA-N 1 0 400.479 0.650 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000496049523 1077976092 /nfs/dbraw/zinc/97/60/92/1077976092.db2.gz BXOGRTPOQQEQJA-QAPCUYQASA-N 1 0 400.479 0.650 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000496049524 1077976145 /nfs/dbraw/zinc/97/61/45/1077976145.db2.gz BXOGRTPOQQEQJA-YJBOKZPZSA-N 1 0 400.479 0.650 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cccc1C(=O)N1CCOCC1 ZINC000496050079 1077975991 /nfs/dbraw/zinc/97/59/91/1077975991.db2.gz CNGYJQURUXPEGX-APWZRJJASA-N 1 0 414.506 0.959 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cccc1C(=O)N1CCOCC1 ZINC000496050080 1077975764 /nfs/dbraw/zinc/97/57/64/1077975764.db2.gz CNGYJQURUXPEGX-LPHOPBHVSA-N 1 0 414.506 0.959 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cccc1C(=O)N1CCOCC1 ZINC000496050081 1077976183 /nfs/dbraw/zinc/97/61/83/1077976183.db2.gz CNGYJQURUXPEGX-QFBILLFUSA-N 1 0 414.506 0.959 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cccc1C(=O)N1CCOCC1 ZINC000496050082 1077976246 /nfs/dbraw/zinc/97/62/46/1077976246.db2.gz CNGYJQURUXPEGX-VQIMIIECSA-N 1 0 414.506 0.959 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1S(=O)(=O)N(C)C ZINC000496050975 1077976520 /nfs/dbraw/zinc/97/65/20/1077976520.db2.gz FQRDLGTYIYVEJO-DZGCQCFKSA-N 1 0 424.523 0.437 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1S(=O)(=O)N(C)C ZINC000496050977 1077976706 /nfs/dbraw/zinc/97/67/06/1077976706.db2.gz FQRDLGTYIYVEJO-HIFRSBDPSA-N 1 0 424.523 0.437 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1S(=O)(=O)N(C)C ZINC000496050979 1077976803 /nfs/dbraw/zinc/97/68/03/1077976803.db2.gz FQRDLGTYIYVEJO-UKRRQHHQSA-N 1 0 424.523 0.437 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1S(=O)(=O)N(C)C ZINC000496050982 1077976581 /nfs/dbraw/zinc/97/65/81/1077976581.db2.gz FQRDLGTYIYVEJO-ZFWWWQNUSA-N 1 0 424.523 0.437 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1NS(C)(=O)=O ZINC000496056658 1077979031 /nfs/dbraw/zinc/97/90/31/1077979031.db2.gz VGMMERHIVHEOGS-DOMZBBRYSA-N 1 0 410.496 0.558 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1NS(C)(=O)=O ZINC000496056659 1077979456 /nfs/dbraw/zinc/97/94/56/1077979456.db2.gz VGMMERHIVHEOGS-IUODEOHRSA-N 1 0 410.496 0.558 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1NS(C)(=O)=O ZINC000496056660 1077979104 /nfs/dbraw/zinc/97/91/04/1077979104.db2.gz VGMMERHIVHEOGS-SWLSCSKDSA-N 1 0 410.496 0.558 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1NS(C)(=O)=O ZINC000496056661 1077979540 /nfs/dbraw/zinc/97/95/40/1077979540.db2.gz VGMMERHIVHEOGS-WFASDCNBSA-N 1 0 410.496 0.558 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000496057001 1077978665 /nfs/dbraw/zinc/97/86/65/1077978665.db2.gz WZHOUGFZDCVCOZ-DOTOQJQBSA-N 1 0 416.478 0.009 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000496057002 1077978805 /nfs/dbraw/zinc/97/88/05/1077978805.db2.gz WZHOUGFZDCVCOZ-NVXWUHKLSA-N 1 0 416.478 0.009 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000496057003 1077979505 /nfs/dbraw/zinc/97/95/05/1077979505.db2.gz WZHOUGFZDCVCOZ-RDJZCZTQSA-N 1 0 416.478 0.009 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000496057004 1077979300 /nfs/dbraw/zinc/97/93/00/1077979300.db2.gz WZHOUGFZDCVCOZ-WBVHZDCISA-N 1 0 416.478 0.009 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)[C@@H]2C1 ZINC000496057007 1077979576 /nfs/dbraw/zinc/97/95/76/1077979576.db2.gz WZVADNWJWXWQSL-BLLLJJGKSA-N 1 0 424.498 0.758 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)[C@H]2C1 ZINC000496057008 1077979084 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MKFJHHBTDFSQBP-UHFFFAOYSA-N 1 0 401.554 0.864 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000496062310 1077980459 /nfs/dbraw/zinc/98/04/59/1077980459.db2.gz XKKKAKOOGMPTJS-IBGZPJMESA-N 1 0 408.568 0.984 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000496062311 1077980767 /nfs/dbraw/zinc/98/07/67/1077980767.db2.gz XKKKAKOOGMPTJS-LJQANCHMSA-N 1 0 408.568 0.984 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000496069428 1077982247 /nfs/dbraw/zinc/98/22/47/1077982247.db2.gz IARKSDNRVGZVHV-PBHICJAKSA-N 1 0 416.478 0.471 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000496069429 1077982784 /nfs/dbraw/zinc/98/27/84/1077982784.db2.gz IARKSDNRVGZVHV-RHSMWYFYSA-N 1 0 416.478 0.471 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000496069430 1077982713 /nfs/dbraw/zinc/98/27/13/1077982713.db2.gz IARKSDNRVGZVHV-WMLDXEAASA-N 1 0 416.478 0.471 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1078053305 /nfs/dbraw/zinc/05/33/05/1078053305.db2.gz UGVAJDNNPOAHOT-PBHICJAKSA-N 1 0 420.535 0.927 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1S(=O)(=O)NC1CC1 ZINC000496150999 1078053251 /nfs/dbraw/zinc/05/32/51/1078053251.db2.gz UGVAJDNNPOAHOT-RHSMWYFYSA-N 1 0 420.535 0.927 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1S(=O)(=O)NC1CC1 ZINC000496151001 1078053586 /nfs/dbraw/zinc/05/35/86/1078053586.db2.gz UGVAJDNNPOAHOT-WMLDXEAASA-N 1 0 420.535 0.927 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1S(=O)(=O)NC1CC1 ZINC000496151002 1078053568 /nfs/dbraw/zinc/05/35/68/1078053568.db2.gz UGVAJDNNPOAHOT-YOEHRIQHSA-N 1 0 420.535 0.927 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OC ZINC000496151570 1078052939 /nfs/dbraw/zinc/05/29/39/1078052939.db2.gz VLBOPVLYGGEHQT-BBRMVZONSA-N 1 0 424.523 0.948 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1OC ZINC000496151571 1078053005 /nfs/dbraw/zinc/05/30/05/1078053005.db2.gz VLBOPVLYGGEHQT-CJNGLKHVSA-N 1 0 424.523 0.948 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1OC ZINC000496151572 1078053075 /nfs/dbraw/zinc/05/30/75/1078053075.db2.gz VLBOPVLYGGEHQT-CZUORRHYSA-N 1 0 424.523 0.948 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1OC ZINC000496151573 1078052973 /nfs/dbraw/zinc/05/29/73/1078052973.db2.gz VLBOPVLYGGEHQT-XJKSGUPXSA-N 1 0 424.523 0.948 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000496152293 1078053036 /nfs/dbraw/zinc/05/30/36/1078053036.db2.gz ZDFJLAAFNNNUDA-UHFFFAOYSA-N 1 0 410.540 0.075 20 0 HCADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000496165484 1078053702 /nfs/dbraw/zinc/05/37/02/1078053702.db2.gz GVSREEABXWIVKR-NVXWUHKLSA-N 1 0 403.593 0.324 20 0 HCADRO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000496165485 1078053811 /nfs/dbraw/zinc/05/38/11/1078053811.db2.gz GVSREEABXWIVKR-RDJZCZTQSA-N 1 0 403.593 0.324 20 0 HCADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000496165486 1078053823 /nfs/dbraw/zinc/05/38/23/1078053823.db2.gz GVSREEABXWIVKR-WBVHZDCISA-N 1 0 403.593 0.324 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)[C@H]2C1 ZINC000496168450 1078053767 /nfs/dbraw/zinc/05/37/67/1078053767.db2.gz LMIPMPUYYLGBLA-BEFAXECRSA-N 1 0 413.522 0.879 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)[C@@H]2C1 ZINC000496168456 1078053829 /nfs/dbraw/zinc/05/38/29/1078053829.db2.gz LMIPMPUYYLGBLA-DNVCBOLYSA-N 1 0 413.522 0.879 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)[C@@H]2C1 ZINC000496168457 1078053937 /nfs/dbraw/zinc/05/39/37/1078053937.db2.gz LMIPMPUYYLGBLA-HNAYVOBHSA-N 1 0 413.522 0.879 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)[C@H]2C1 ZINC000496168458 1078054024 /nfs/dbraw/zinc/05/40/24/1078054024.db2.gz LMIPMPUYYLGBLA-KXBFYZLASA-N 1 0 413.522 0.879 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000496202379 1078054759 /nfs/dbraw/zinc/05/47/59/1078054759.db2.gz FEDCARXZVQFWLP-BRWVUGGUSA-N 1 0 401.511 0.451 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000496202380 1078054689 /nfs/dbraw/zinc/05/46/89/1078054689.db2.gz FEDCARXZVQFWLP-GVDBMIGSSA-N 1 0 401.511 0.451 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000496202381 1078054958 /nfs/dbraw/zinc/05/49/58/1078054958.db2.gz FEDCARXZVQFWLP-IXDOHACOSA-N 1 0 401.511 0.451 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000496202382 1078055023 /nfs/dbraw/zinc/05/50/23/1078055023.db2.gz FEDCARXZVQFWLP-YESZJQIVSA-N 1 0 401.511 0.451 20 0 HCADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000496205791 1078055374 /nfs/dbraw/zinc/05/53/74/1078055374.db2.gz VPLLFWHESVBXBF-BRWVUGGUSA-N 1 0 402.561 0.743 20 0 HCADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000496205792 1078055353 /nfs/dbraw/zinc/05/53/53/1078055353.db2.gz VPLLFWHESVBXBF-IKGGRYGDSA-N 1 0 402.561 0.743 20 0 HCADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000496205981 1078055347 /nfs/dbraw/zinc/05/53/47/1078055347.db2.gz VPLLFWHESVBXBF-IXDOHACOSA-N 1 0 402.561 0.743 20 0 HCADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000496205982 1078055287 /nfs/dbraw/zinc/05/52/87/1078055287.db2.gz VPLLFWHESVBXBF-ZACQAIPSSA-N 1 0 402.561 0.743 20 0 HCADRO CCN1CCN(CC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)C(=O)C1=O ZINC000496208939 1078055531 /nfs/dbraw/zinc/05/55/31/1078055531.db2.gz CCKNOSVZNXQSRH-GOSISDBHSA-N 1 0 401.511 0.585 20 0 HCADRO CCN1CCN(CC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)C(=O)C1=O ZINC000496208943 1078055545 /nfs/dbraw/zinc/05/55/45/1078055545.db2.gz CCKNOSVZNXQSRH-SFHVURJKSA-N 1 0 401.511 0.585 20 0 HCADRO CSCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000496221072 1078056168 /nfs/dbraw/zinc/05/61/68/1078056168.db2.gz FBOZZJSKMZKMJK-NSHDSACASA-N 1 0 415.566 0.605 20 0 HCADRO CN(C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000496221443 1078055870 /nfs/dbraw/zinc/05/58/70/1078055870.db2.gz IZTIAFKFPDCAJI-FCLJQHQZSA-N 1 0 402.561 0.742 20 0 HCADRO CN(C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000496221444 1078055818 /nfs/dbraw/zinc/05/58/18/1078055818.db2.gz IZTIAFKFPDCAJI-WFVVYAPDSA-N 1 0 402.561 0.742 20 0 HCADRO O=C(NCC1(O)CCS(=O)(=O)CC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000496222997 1078056023 /nfs/dbraw/zinc/05/60/23/1078056023.db2.gz ORIBHDUUQQAZMW-UHFFFAOYSA-N 1 0 419.613 0.977 20 0 HCADRO CCCN(CC[NH+]1CCCC1)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000496226178 1078056366 /nfs/dbraw/zinc/05/63/66/1078056366.db2.gz YADMVQSRUCIGCP-KRWDZBQOSA-N 1 0 404.577 0.992 20 0 HCADRO CCCN(CC[NH+]1CCCC1)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000496226183 1078056450 /nfs/dbraw/zinc/05/64/50/1078056450.db2.gz YADMVQSRUCIGCP-QGZVFWFLSA-N 1 0 404.577 0.992 20 0 HCADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000496242014 1078056663 /nfs/dbraw/zinc/05/66/63/1078056663.db2.gz CWVDELRSIQFZPG-BRWVUGGUSA-N 1 0 402.561 0.743 20 0 HCADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000496242019 1078056725 /nfs/dbraw/zinc/05/67/25/1078056725.db2.gz CWVDELRSIQFZPG-IKGGRYGDSA-N 1 0 402.561 0.743 20 0 HCADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000496242020 1078056595 /nfs/dbraw/zinc/05/65/95/1078056595.db2.gz CWVDELRSIQFZPG-IXDOHACOSA-N 1 0 402.561 0.743 20 0 HCADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000496242021 1078056690 /nfs/dbraw/zinc/05/66/90/1078056690.db2.gz CWVDELRSIQFZPG-ZACQAIPSSA-N 1 0 402.561 0.743 20 0 HCADRO CCCN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000496244347 1078056924 /nfs/dbraw/zinc/05/69/24/1078056924.db2.gz LDVGDOZCEXVNLX-UHFFFAOYSA-N 1 0 424.567 0.953 20 0 HCADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)CC1(C)C ZINC000496259608 1078057520 /nfs/dbraw/zinc/05/75/20/1078057520.db2.gz ALLXAXJWBZWFGK-IBGZPJMESA-N 1 0 424.586 0.705 20 0 HCADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)CC1(C)C ZINC000496259610 1078057374 /nfs/dbraw/zinc/05/73/74/1078057374.db2.gz ALLXAXJWBZWFGK-LJQANCHMSA-N 1 0 424.586 0.705 20 0 HCADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000496260244 1078057387 /nfs/dbraw/zinc/05/73/87/1078057387.db2.gz BPGMHVRTEJYLFS-GOSISDBHSA-N 1 0 422.570 0.996 20 0 HCADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000496260247 1078057281 /nfs/dbraw/zinc/05/72/81/1078057281.db2.gz BPGMHVRTEJYLFS-SFHVURJKSA-N 1 0 422.570 0.996 20 0 HCADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1(C)C ZINC000496260268 1078057432 /nfs/dbraw/zinc/05/74/32/1078057432.db2.gz BTQFQMSIEXLBSB-UHFFFAOYSA-N 1 0 419.545 0.612 20 0 HCADRO CC[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCN1CC(F)F ZINC000496261249 1078057859 /nfs/dbraw/zinc/05/78/59/1078057859.db2.gz DRJMBUVTMZJGGR-HNNXBMFYSA-N 1 0 403.518 0.317 20 0 HCADRO CC[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCN1CC(F)F ZINC000496261250 1078057837 /nfs/dbraw/zinc/05/78/37/1078057837.db2.gz DRJMBUVTMZJGGR-OAHLLOKOSA-N 1 0 403.518 0.317 20 0 HCADRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496261274 1078057764 /nfs/dbraw/zinc/05/77/64/1078057764.db2.gz DZENIFLDYVXMFD-JQQNFUDXSA-N 1 0 400.589 0.325 20 0 HCADRO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496261275 1078057882 /nfs/dbraw/zinc/05/78/82/1078057882.db2.gz DZENIFLDYVXMFD-KSRHRBNTSA-N 1 0 400.589 0.325 20 0 HCADRO CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496261276 1078057780 /nfs/dbraw/zinc/05/77/80/1078057780.db2.gz DZENIFLDYVXMFD-MPEQGZPJSA-N 1 0 400.589 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Cn1cccc1C(=O)NCCCN1CC[NH+](CCCNC(=O)c2cccn2C)CC1 ZINC000496722487 1078085950 /nfs/dbraw/zinc/08/59/50/1078085950.db2.gz KTUHOFGPEGHPRO-UHFFFAOYSA-N 1 0 414.554 0.921 20 0 HCADRO Cn1ccc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3ccn(C)c3)CC2)c1 ZINC000496725548 1078086423 /nfs/dbraw/zinc/08/64/23/1078086423.db2.gz YNBMLEXRNNHKSP-UHFFFAOYSA-N 1 0 414.554 0.921 20 0 HCADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CCN1C1CC[NH+](C)CC1 ZINC000496734097 1078087780 /nfs/dbraw/zinc/08/77/80/1078087780.db2.gz ABSBNNIPVTYXOY-MDYRTPRTSA-N 1 0 402.543 0.566 20 0 HCADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CCN1C1CC[NH+](C)CC1 ZINC000496734107 1078087788 /nfs/dbraw/zinc/08/77/88/1078087788.db2.gz ABSBNNIPVTYXOY-OXFYSEKESA-N 1 0 402.543 0.566 20 0 HCADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CCN1C1CC[NH+](C)CC1 ZINC000496734113 1078087805 /nfs/dbraw/zinc/08/78/05/1078087805.db2.gz ABSBNNIPVTYXOY-SYNHAJSKSA-N 1 0 402.543 0.566 20 0 HCADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CCN1C1CC[NH+](C)CC1 ZINC000496734117 1078088080 /nfs/dbraw/zinc/08/80/80/1078088080.db2.gz ABSBNNIPVTYXOY-WRWLIDTKSA-N 1 0 402.543 0.566 20 0 HCADRO Cc1ncc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3cnc(C)[nH]3)CC2)[nH]1 ZINC000496735306 1078088017 /nfs/dbraw/zinc/08/80/17/1078088017.db2.gz FIZQXBAAPQCECW-UHFFFAOYSA-N 1 0 416.530 0.307 20 0 HCADRO O=C(NCCCN1CC[NH+](CCCNC(=O)[C@H]2CCCOC2)CC1)[C@@H]1CCCOC1 ZINC000496752105 1078088584 /nfs/dbraw/zinc/08/85/84/1078088584.db2.gz HQQMHTYVZUDXLU-BGYRXZFFSA-N 1 0 424.586 0.470 20 0 HCADRO O=C(NCCCN1CC[NH+](CCCNC(=O)[C@H]2CCCOC2)CC1)[C@H]1CCCOC1 ZINC000496752106 1078088608 /nfs/dbraw/zinc/08/86/08/1078088608.db2.gz HQQMHTYVZUDXLU-PMACEKPBSA-N 1 0 424.586 0.470 20 0 HCADRO O=C(NCCCN1CC[NH+](CCCNC(=O)[C@@H]2CCCOC2)CC1)[C@@H]1CCCOC1 ZINC000496752107 1078088650 /nfs/dbraw/zinc/08/86/50/1078088650.db2.gz HQQMHTYVZUDXLU-WOJBJXKFSA-N 1 0 424.586 0.470 20 0 HCADRO Cc1ocnc1C(=O)NCCCN1CC[NH+](CCCNC(=O)c2ncoc2C)CC1 ZINC000496767092 1078088390 /nfs/dbraw/zinc/08/83/90/1078088390.db2.gz ACENLIXFIIDERG-UHFFFAOYSA-N 1 0 418.498 0.837 20 0 HCADRO C[C@]1(C(=O)NCCCN2CC[NH+](CCCNC(=O)[C@@]3(C)CCCO3)CC2)CCCO1 ZINC000496785973 1078089963 /nfs/dbraw/zinc/08/99/63/1078089963.db2.gz QFKCFNJETCBHGA-FGZHOGPDSA-N 1 0 424.586 0.755 20 0 HCADRO C[C@]1(C(=O)NCCCN2CC[NH+](CCCNC(=O)[C@]3(C)CCCO3)CC2)CCCO1 ZINC000496785975 1078090016 /nfs/dbraw/zinc/09/00/16/1078090016.db2.gz QFKCFNJETCBHGA-SZPZYZBQSA-N 1 0 424.586 0.755 20 0 HCADRO C[C@@]1(C(=O)NCCCN2CC[NH+](CCCNC(=O)[C@]3(C)CCCO3)CC2)CCCO1 ZINC000496785977 1078090004 /nfs/dbraw/zinc/09/00/04/1078090004.db2.gz QFKCFNJETCBHGA-VXKWHMMOSA-N 1 0 424.586 0.755 20 0 HCADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC000496802250 1078091105 /nfs/dbraw/zinc/09/11/05/1078091105.db2.gz HUGYMDAGKHSUNU-AWEZNQCLSA-N 1 0 404.475 0.574 20 0 HCADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC000496802255 1078091187 /nfs/dbraw/zinc/09/11/87/1078091187.db2.gz HUGYMDAGKHSUNU-CQSZACIVSA-N 1 0 404.475 0.574 20 0 HCADRO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C[NH+]1CCCCC1 ZINC000496819412 1078092716 /nfs/dbraw/zinc/09/27/16/1078092716.db2.gz WPVBJLQRPRZCBZ-INIZCTEOSA-N 1 0 422.551 0.659 20 0 HCADRO C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C[NH+]1CCCCC1 ZINC000496819414 1078092795 /nfs/dbraw/zinc/09/27/95/1078092795.db2.gz WPVBJLQRPRZCBZ-MRXNPFEDSA-N 1 0 422.551 0.659 20 0 HCADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)Cn1ncn2nccc2c1=O ZINC000496829991 1078092047 /nfs/dbraw/zinc/09/20/47/1078092047.db2.gz HZCUJYVTWRIMFD-HNNXBMFYSA-N 1 0 404.471 0.157 20 0 HCADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)Cn1ncn2nccc2c1=O ZINC000496829992 1078092123 /nfs/dbraw/zinc/09/21/23/1078092123.db2.gz HZCUJYVTWRIMFD-OAHLLOKOSA-N 1 0 404.471 0.157 20 0 HCADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000496845230 1078092764 /nfs/dbraw/zinc/09/27/64/1078092764.db2.gz IHWBJENXEUIOTA-AWEZNQCLSA-N 1 0 414.528 0.552 20 0 HCADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000496845231 1078092668 /nfs/dbraw/zinc/09/26/68/1078092668.db2.gz IHWBJENXEUIOTA-CQSZACIVSA-N 1 0 414.528 0.552 20 0 HCADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000496847687 1078092755 /nfs/dbraw/zinc/09/27/55/1078092755.db2.gz UIHIPCHXXSRCRM-HNNXBMFYSA-N 1 0 412.512 0.609 20 0 HCADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000496847688 1078093056 /nfs/dbraw/zinc/09/30/56/1078093056.db2.gz UIHIPCHXXSRCRM-OAHLLOKOSA-N 1 0 412.512 0.609 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000496848571 1078092952 /nfs/dbraw/zinc/09/29/52/1078092952.db2.gz ZZAXDCOVODFHNE-UHFFFAOYSA-N 1 0 408.524 0.317 20 0 HCADRO C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CC(=O)NCc1cccs1 ZINC000496914988 1078094068 /nfs/dbraw/zinc/09/40/68/1078094068.db2.gz ASAISYMEZNVADW-UHFFFAOYSA-N 1 0 402.524 0.825 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)Nc3cnn(-c4ncccn4)c3)c2)CC1 ZINC000496915158 1078093995 /nfs/dbraw/zinc/09/39/95/1078093995.db2.gz BQAHBJVQTLURNJ-UHFFFAOYSA-N 1 0 420.477 0.987 20 0 HCADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)C[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000496986171 1078109225 /nfs/dbraw/zinc/10/92/25/1078109225.db2.gz AGFIIKFCQZEXMB-NRFANRHFSA-N 1 0 404.555 0.982 20 0 HCADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)C[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000496986172 1078109511 /nfs/dbraw/zinc/10/95/11/1078109511.db2.gz AGFIIKFCQZEXMB-OAQYLSRUSA-N 1 0 404.555 0.982 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000497004362 1078113475 /nfs/dbraw/zinc/11/34/75/1078113475.db2.gz LMGPMUDOCGLSTK-KRWDZBQOSA-N 1 0 411.524 0.521 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000497004363 1078113731 /nfs/dbraw/zinc/11/37/31/1078113731.db2.gz LMGPMUDOCGLSTK-QGZVFWFLSA-N 1 0 411.524 0.521 20 0 HCADRO C[C@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)c1nnc2n1CCC2 ZINC000497020349 1078117786 /nfs/dbraw/zinc/11/77/86/1078117786.db2.gz UZVOZVWCRNQPBE-HNNXBMFYSA-N 1 0 411.510 0.788 20 0 HCADRO C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)c1nnc2n1CCC2 ZINC000497020350 1078117797 /nfs/dbraw/zinc/11/77/97/1078117797.db2.gz UZVOZVWCRNQPBE-OAHLLOKOSA-N 1 0 411.510 0.788 20 0 HCADRO CN(C[C@H](O)CN1CCOCC1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000497037628 1078121550 /nfs/dbraw/zinc/12/15/50/1078121550.db2.gz XNLSMMDSZSLRGC-NRFANRHFSA-N 1 0 404.555 0.740 20 0 HCADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000497037629 1078121432 /nfs/dbraw/zinc/12/14/32/1078121432.db2.gz XNLSMMDSZSLRGC-OAQYLSRUSA-N 1 0 404.555 0.740 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)C(N)=O)c1 ZINC000497063906 1078126349 /nfs/dbraw/zinc/12/63/49/1078126349.db2.gz LXIQGVUIKCNMAU-UHFFFAOYSA-N 1 0 411.528 0.283 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000497065245 1078126836 /nfs/dbraw/zinc/12/68/36/1078126836.db2.gz KRJDAJUWZHXRTA-UHFFFAOYSA-N 1 0 422.551 0.706 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1)C1CCOCC1 ZINC000497117933 1078137207 /nfs/dbraw/zinc/13/72/07/1078137207.db2.gz XCDGIFNIVUPNIF-MOPGFXCFSA-N 1 0 405.495 0.825 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)c1)C1CCOCC1 ZINC000497117935 1078137405 /nfs/dbraw/zinc/13/74/05/1078137405.db2.gz XCDGIFNIVUPNIF-OALUTQOASA-N 1 0 405.495 0.825 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1)C1CCOCC1 ZINC000497117937 1078137109 /nfs/dbraw/zinc/13/71/09/1078137109.db2.gz XCDGIFNIVUPNIF-RBUKOAKNSA-N 1 0 405.495 0.825 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)[C@H]2CC[C@H](C(N)=O)O2)c1)C1CCOCC1 ZINC000497117938 1078137512 /nfs/dbraw/zinc/13/75/12/1078137512.db2.gz XCDGIFNIVUPNIF-RTBURBONSA-N 1 0 405.495 0.825 20 0 HCADRO O=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000497126955 1078141870 /nfs/dbraw/zinc/14/18/70/1078141870.db2.gz UXNMKSKEVDWZPD-IBGZPJMESA-N 1 0 424.542 0.875 20 0 HCADRO O=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000497126956 1078141723 /nfs/dbraw/zinc/14/17/23/1078141723.db2.gz UXNMKSKEVDWZPD-LJQANCHMSA-N 1 0 424.542 0.875 20 0 HCADRO CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)o1 ZINC000497159936 1078149830 /nfs/dbraw/zinc/14/98/30/1078149830.db2.gz HWANHKHMSYPRAP-KRWDZBQOSA-N 1 0 422.526 0.658 20 0 HCADRO CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)o1 ZINC000497159937 1078149669 /nfs/dbraw/zinc/14/96/69/1078149669.db2.gz HWANHKHMSYPRAP-QGZVFWFLSA-N 1 0 422.526 0.658 20 0 HCADRO CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000497164201 1078150544 /nfs/dbraw/zinc/15/05/44/1078150544.db2.gz QIYNGWIVMDIZPD-KRWDZBQOSA-N 1 0 420.510 0.412 20 0 HCADRO CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000497164202 1078150418 /nfs/dbraw/zinc/15/04/18/1078150418.db2.gz QIYNGWIVMDIZPD-QGZVFWFLSA-N 1 0 420.510 0.412 20 0 HCADRO CCc1ccc([C@H](COC)NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)o1 ZINC000497177405 1078154634 /nfs/dbraw/zinc/15/46/34/1078154634.db2.gz DCQPABOVXSNBTJ-AEFFLSMTSA-N 1 0 406.527 0.884 20 0 HCADRO CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)o1 ZINC000497177408 1078154595 /nfs/dbraw/zinc/15/45/95/1078154595.db2.gz DCQPABOVXSNBTJ-FUHWJXTLSA-N 1 0 406.527 0.884 20 0 HCADRO CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)o1 ZINC000497177409 1078154359 /nfs/dbraw/zinc/15/43/59/1078154359.db2.gz DCQPABOVXSNBTJ-SJLPKXTDSA-N 1 0 406.527 0.884 20 0 HCADRO CCc1ccc([C@H](COC)NC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)o1 ZINC000497177410 1078154444 /nfs/dbraw/zinc/15/44/44/1078154444.db2.gz DCQPABOVXSNBTJ-WMZOPIPTSA-N 1 0 406.527 0.884 20 0 HCADRO C[N@H+](CCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)Cc1ccccc1 ZINC000497206866 1078158723 /nfs/dbraw/zinc/15/87/23/1078158723.db2.gz SDLNRWXCXNRRTM-MSOLQXFVSA-N 1 0 407.536 0.660 20 0 HCADRO 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C[N@@H+]1C[C@@H](NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000497418543 1078237141 /nfs/dbraw/zinc/23/71/41/1078237141.db2.gz QTURTPBOTYTPLT-IAGOWNOFSA-N 1 0 402.476 0.487 20 0 HCADRO C[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC000497418544 1078237283 /nfs/dbraw/zinc/23/72/83/1078237283.db2.gz QTURTPBOTYTPLT-IRXDYDNUSA-N 1 0 402.476 0.487 20 0 HCADRO C[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000497418545 1078237388 /nfs/dbraw/zinc/23/73/88/1078237388.db2.gz QTURTPBOTYTPLT-SJORKVTESA-N 1 0 402.476 0.487 20 0 HCADRO C[N@@H+]1C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)[C@H](c2ccccc2)C1 ZINC000497418717 1078236618 /nfs/dbraw/zinc/23/66/18/1078236618.db2.gz SBKKNIYBPYDXAZ-HKUYNNGSSA-N 1 0 418.519 0.863 20 0 HCADRO C[N@@H+]1C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)[C@@H](c2ccccc2)C1 ZINC000497418723 1078236828 /nfs/dbraw/zinc/23/68/28/1078236828.db2.gz SBKKNIYBPYDXAZ-IEBWSBKVSA-N 1 0 418.519 0.863 20 0 HCADRO C[N@@H+]1C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)[C@@H](c2ccccc2)C1 ZINC000497418725 1078236589 /nfs/dbraw/zinc/23/65/89/1078236589.db2.gz SBKKNIYBPYDXAZ-MJGOQNOKSA-N 1 0 418.519 0.863 20 0 HCADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000497418727 1078236886 /nfs/dbraw/zinc/23/68/86/1078236886.db2.gz SBKKNIYBPYDXAZ-PKOBYXMFSA-N 1 0 418.519 0.863 20 0 HCADRO Cc1c(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000497420173 1078237526 /nfs/dbraw/zinc/23/75/26/1078237526.db2.gz XJEPKMUYQISBQX-DLBZAZTESA-N 1 0 407.474 0.768 20 0 HCADRO Cc1c(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000497420174 1078237563 /nfs/dbraw/zinc/23/75/63/1078237563.db2.gz XJEPKMUYQISBQX-IAGOWNOFSA-N 1 0 407.474 0.768 20 0 HCADRO Cc1c(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000497420175 1078237712 /nfs/dbraw/zinc/23/77/12/1078237712.db2.gz XJEPKMUYQISBQX-IRXDYDNUSA-N 1 0 407.474 0.768 20 0 HCADRO 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CC1CC[NH+](C[C@@H]2CCCN(CC(=O)NCCCN(C)S(C)(=O)=O)C2)CC1 ZINC000497438983 1078249618 /nfs/dbraw/zinc/24/96/18/1078249618.db2.gz LKZCWOFGUKDBHP-SFHVURJKSA-N 1 0 402.605 0.828 20 0 HCADRO CCNC(=O)NC(=O)[C@H](C)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497439679 1078249669 /nfs/dbraw/zinc/24/96/69/1078249669.db2.gz LBLKECHVZJYSEF-JTQLQIEISA-N 1 0 402.439 0.509 20 0 HCADRO CCNC(=O)NC(=O)[C@@H](C)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497439684 1078249649 /nfs/dbraw/zinc/24/96/49/1078249649.db2.gz LBLKECHVZJYSEF-SNVBAGLBSA-N 1 0 402.439 0.509 20 0 HCADRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000497444922 1078245840 /nfs/dbraw/zinc/24/58/40/1078245840.db2.gz RQGPUWDOSGJGGD-DOTOQJQBSA-N 1 0 424.567 0.619 20 0 HCADRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000497444923 1078245933 /nfs/dbraw/zinc/24/59/33/1078245933.db2.gz RQGPUWDOSGJGGD-NVXWUHKLSA-N 1 0 424.567 0.619 20 0 HCADRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000497444924 1078245985 /nfs/dbraw/zinc/24/59/85/1078245985.db2.gz RQGPUWDOSGJGGD-RDJZCZTQSA-N 1 0 424.567 0.619 20 0 HCADRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000497444925 1078245766 /nfs/dbraw/zinc/24/57/66/1078245766.db2.gz RQGPUWDOSGJGGD-WBVHZDCISA-N 1 0 424.567 0.619 20 0 HCADRO CN(CCCNC(=O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1)S(C)(=O)=O ZINC000497453978 1078248519 /nfs/dbraw/zinc/24/85/19/1078248519.db2.gz KUCXSEYNINNUMF-GOSISDBHSA-N 1 0 402.605 0.972 20 0 HCADRO CN(CCCNC(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)S(C)(=O)=O ZINC000497453981 1078248494 /nfs/dbraw/zinc/24/84/94/1078248494.db2.gz KUCXSEYNINNUMF-SFHVURJKSA-N 1 0 402.605 0.972 20 0 HCADRO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000497454636 1078248097 /nfs/dbraw/zinc/24/80/97/1078248097.db2.gz AESKREVDBIZYIE-CRAIPNDOSA-N 1 0 411.572 0.799 20 0 HCADRO 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CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000497458146 1078253175 /nfs/dbraw/zinc/25/31/75/1078253175.db2.gz FNEKHLBPWPOMHD-KRWDZBQOSA-N 1 0 412.556 0.973 20 0 HCADRO CC(C)[NH+](CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(C)C ZINC000497458157 1078252942 /nfs/dbraw/zinc/25/29/42/1078252942.db2.gz GHUZEWRESRGMJQ-UHFFFAOYSA-N 1 0 412.556 0.902 20 0 HCADRO C[C@H]1CN(C(=O)CN2CCN(c3ccccn3)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497459152 1078253417 /nfs/dbraw/zinc/25/34/17/1078253417.db2.gz UBRWTARXTVVZTE-PMACEKPBSA-N 1 0 400.571 0.688 20 0 HCADRO C[C@@H]1CN(C(=O)CN2CCN(c3ccccn3)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497459162 1078253555 /nfs/dbraw/zinc/25/35/55/1078253555.db2.gz UBRWTARXTVVZTE-UXHICEINSA-N 1 0 400.571 0.688 20 0 HCADRO C[C@H]1CN(C(=O)CN2CCN(c3ccccn3)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497459165 1078253547 /nfs/dbraw/zinc/25/35/47/1078253547.db2.gz UBRWTARXTVVZTE-VQTJNVASSA-N 1 0 400.571 0.688 20 0 HCADRO C[C@@H]1CN(C(=O)CN2CCN(c3ccccn3)CC2)CC[C@H]1[NH+]1CCN(C)CC1 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1078254690 /nfs/dbraw/zinc/25/46/90/1078254690.db2.gz LUTMJHHLTWTMMP-HKUYNNGSSA-N 1 0 408.568 0.839 20 0 HCADRO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497460952 1078254677 /nfs/dbraw/zinc/25/46/77/1078254677.db2.gz LUTMJHHLTWTMMP-IEBWSBKVSA-N 1 0 408.568 0.839 20 0 HCADRO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497460957 1078254608 /nfs/dbraw/zinc/25/46/08/1078254608.db2.gz LUTMJHHLTWTMMP-MJGOQNOKSA-N 1 0 408.568 0.839 20 0 HCADRO C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497460963 1078254648 /nfs/dbraw/zinc/25/46/48/1078254648.db2.gz LUTMJHHLTWTMMP-PKOBYXMFSA-N 1 0 408.568 0.839 20 0 HCADRO C[C@@H]1CN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497461561 1078254229 /nfs/dbraw/zinc/25/42/29/1078254229.db2.gz IPZMDIKSJOWCPE-AEFFLSMTSA-N 1 0 413.522 0.977 20 0 HCADRO C[C@H]1CN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497461565 1078254164 /nfs/dbraw/zinc/25/41/64/1078254164.db2.gz IPZMDIKSJOWCPE-FUHWJXTLSA-N 1 0 413.522 0.977 20 0 HCADRO C[C@@H]1CN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497461570 1078254273 /nfs/dbraw/zinc/25/42/73/1078254273.db2.gz IPZMDIKSJOWCPE-SJLPKXTDSA-N 1 0 413.522 0.977 20 0 HCADRO C[C@H]1CN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497461572 1078254251 /nfs/dbraw/zinc/25/42/51/1078254251.db2.gz IPZMDIKSJOWCPE-WMZOPIPTSA-N 1 0 413.522 0.977 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000497461677 1078254353 /nfs/dbraw/zinc/25/43/53/1078254353.db2.gz IUERBQYBIBDNBX-AEFFLSMTSA-N 1 0 424.567 0.816 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000497461684 1078254297 /nfs/dbraw/zinc/25/42/97/1078254297.db2.gz IUERBQYBIBDNBX-FUHWJXTLSA-N 1 0 424.567 0.816 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000497461685 1078254178 /nfs/dbraw/zinc/25/41/78/1078254178.db2.gz IUERBQYBIBDNBX-SJLPKXTDSA-N 1 0 424.567 0.816 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000497461686 1078254206 /nfs/dbraw/zinc/25/42/06/1078254206.db2.gz IUERBQYBIBDNBX-WMZOPIPTSA-N 1 0 424.567 0.816 20 0 HCADRO CC(C)[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CCCS1(=O)=O ZINC000497463170 1078254895 /nfs/dbraw/zinc/25/48/95/1078254895.db2.gz KBVGMBUYOQIACW-FGTMMUONSA-N 1 0 400.589 0.531 20 0 HCADRO CC(C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CCCS1(=O)=O ZINC000497463176 1078254814 /nfs/dbraw/zinc/25/48/14/1078254814.db2.gz KBVGMBUYOQIACW-KZNAEPCWSA-N 1 0 400.589 0.531 20 0 HCADRO CC(C)[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)N1CCCS1(=O)=O ZINC000497463181 1078254807 /nfs/dbraw/zinc/25/48/07/1078254807.db2.gz KBVGMBUYOQIACW-OKZBNKHCSA-N 1 0 400.589 0.531 20 0 HCADRO CC(C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)N1CCCS1(=O)=O ZINC000497463197 1078254930 /nfs/dbraw/zinc/25/49/30/1078254930.db2.gz KBVGMBUYOQIACW-RCCFBDPRSA-N 1 0 400.589 0.531 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)CCO1 ZINC000497464948 1078255953 /nfs/dbraw/zinc/25/59/53/1078255953.db2.gz VCOMADAILFNNOZ-LLVKDONJSA-N 1 0 415.288 0.423 20 0 HCADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)CCO1 ZINC000497464950 1078256088 /nfs/dbraw/zinc/25/60/88/1078256088.db2.gz VCOMADAILFNNOZ-NSHDSACASA-N 1 0 415.288 0.423 20 0 HCADRO C[C@@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497465444 1078255706 /nfs/dbraw/zinc/25/57/06/1078255706.db2.gz RVINOJBJGCYKHT-CHWSQXEVSA-N 1 0 421.493 0.812 20 0 HCADRO C[C@@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497465451 1078255644 /nfs/dbraw/zinc/25/56/44/1078255644.db2.gz RVINOJBJGCYKHT-OLZOCXBDSA-N 1 0 421.493 0.812 20 0 HCADRO C[C@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497465454 1078255680 /nfs/dbraw/zinc/25/56/80/1078255680.db2.gz RVINOJBJGCYKHT-QWHCGFSZSA-N 1 0 421.493 0.812 20 0 HCADRO C[C@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497465455 1078255508 /nfs/dbraw/zinc/25/55/08/1078255508.db2.gz RVINOJBJGCYKHT-STQMWFEESA-N 1 0 421.493 0.812 20 0 HCADRO C[C@@H]1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000497465482 1078256006 /nfs/dbraw/zinc/25/60/06/1078256006.db2.gz PRGWASDFGZWHEC-CVEARBPZSA-N 1 0 419.551 0.836 20 0 HCADRO C[C@H]1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000497465494 1078256112 /nfs/dbraw/zinc/25/61/12/1078256112.db2.gz PRGWASDFGZWHEC-HOTGVXAUSA-N 1 0 419.551 0.836 20 0 HCADRO C[C@@H]1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000497465497 1078256138 /nfs/dbraw/zinc/25/61/38/1078256138.db2.gz PRGWASDFGZWHEC-HZPDHXFCSA-N 1 0 419.551 0.836 20 0 HCADRO C[C@H]1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000497465499 1078256127 /nfs/dbraw/zinc/25/61/27/1078256127.db2.gz PRGWASDFGZWHEC-JKSUJKDBSA-N 1 0 419.551 0.836 20 0 HCADRO C[C@@H]1CN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497465634 1078255661 /nfs/dbraw/zinc/25/56/61/1078255661.db2.gz QDIVUVKWFKKDJF-FXCLAUTBSA-N 1 0 413.522 0.839 20 0 HCADRO C[C@@H]1CN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497465645 1078255551 /nfs/dbraw/zinc/25/55/51/1078255551.db2.gz QDIVUVKWFKKDJF-LDJQZATESA-N 1 0 413.522 0.839 20 0 HCADRO C[C@@H]1CN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497465648 1078255519 /nfs/dbraw/zinc/25/55/19/1078255519.db2.gz QDIVUVKWFKKDJF-QRFQSNJMSA-N 1 0 413.522 0.839 20 0 HCADRO C[C@@H]1CN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497465650 1078255672 /nfs/dbraw/zinc/25/56/72/1078255672.db2.gz QDIVUVKWFKKDJF-YBOAYWMSSA-N 1 0 413.522 0.839 20 0 HCADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000497471041 1078251477 /nfs/dbraw/zinc/25/14/77/1078251477.db2.gz HDGYQOSSPGCLTD-KBPBESRZSA-N 1 0 400.570 0.802 20 0 HCADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000497471053 1078251360 /nfs/dbraw/zinc/25/13/60/1078251360.db2.gz HDGYQOSSPGCLTD-KGLIPLIRSA-N 1 0 400.570 0.802 20 0 HCADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000497471059 1078251346 /nfs/dbraw/zinc/25/13/46/1078251346.db2.gz HDGYQOSSPGCLTD-UONOGXRCSA-N 1 0 400.570 0.802 20 0 HCADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000497471062 1078251459 /nfs/dbraw/zinc/25/14/59/1078251459.db2.gz HDGYQOSSPGCLTD-ZIAGYGMSSA-N 1 0 400.570 0.802 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000497471673 1078251024 /nfs/dbraw/zinc/25/10/24/1078251024.db2.gz YBMIORPKSUWZMH-UHFFFAOYSA-N 1 0 411.572 0.552 20 0 HCADRO C[C@@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497472380 1078251468 /nfs/dbraw/zinc/25/14/68/1078251468.db2.gz KYDTZWRTKMFXFE-FXCLAUTBSA-N 1 0 413.522 0.839 20 0 HCADRO C[C@@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497472384 1078251513 /nfs/dbraw/zinc/25/15/13/1078251513.db2.gz KYDTZWRTKMFXFE-LDJQZATESA-N 1 0 413.522 0.839 20 0 HCADRO C[C@@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497472389 1078251503 /nfs/dbraw/zinc/25/15/03/1078251503.db2.gz KYDTZWRTKMFXFE-QRFQSNJMSA-N 1 0 413.522 0.839 20 0 HCADRO C[C@@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497472395 1078251720 /nfs/dbraw/zinc/25/17/20/1078251720.db2.gz KYDTZWRTKMFXFE-YBOAYWMSSA-N 1 0 413.522 0.839 20 0 HCADRO CCn1c2ccc(C(=O)N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)cc2[nH]c(=O)c1=O ZINC000497474700 1078252198 /nfs/dbraw/zinc/25/21/98/1078252198.db2.gz OQUZOOKXSVCHGM-CRAIPNDOSA-N 1 0 413.522 0.808 20 0 HCADRO CCn1c2ccc(C(=O)N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)cc2[nH]c(=O)c1=O ZINC000497474706 1078252280 /nfs/dbraw/zinc/25/22/80/1078252280.db2.gz OQUZOOKXSVCHGM-MAUKXSAKSA-N 1 0 413.522 0.808 20 0 HCADRO CCn1c2ccc(C(=O)N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)cc2[nH]c(=O)c1=O ZINC000497474709 1078252247 /nfs/dbraw/zinc/25/22/47/1078252247.db2.gz OQUZOOKXSVCHGM-QAPCUYQASA-N 1 0 413.522 0.808 20 0 HCADRO CCn1c2ccc(C(=O)N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)cc2[nH]c(=O)c1=O ZINC000497474712 1078252310 /nfs/dbraw/zinc/25/23/10/1078252310.db2.gz OQUZOOKXSVCHGM-YJBOKZPZSA-N 1 0 413.522 0.808 20 0 HCADRO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)N1CC[NH+]2CCC1CC2 ZINC000497475327 1078255554 /nfs/dbraw/zinc/25/55/54/1078255554.db2.gz XMFZGWRBWNJFCH-KRWDZBQOSA-N 1 0 415.542 0.772 20 0 HCADRO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)N1CC[NH+]2CCC1CC2 ZINC000497475329 1078255617 /nfs/dbraw/zinc/25/56/17/1078255617.db2.gz XMFZGWRBWNJFCH-QGZVFWFLSA-N 1 0 415.542 0.772 20 0 HCADRO CNS(=O)(=O)c1ccc(CNC(=O)N(C)CCCN2CC[NH+](C)CC2)s1 ZINC000497476886 1078259141 /nfs/dbraw/zinc/25/91/41/1078259141.db2.gz HALGPSXAIVXJOZ-UHFFFAOYSA-N 1 0 403.574 0.435 20 0 HCADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)C1 ZINC000497477711 1078258542 /nfs/dbraw/zinc/25/85/42/1078258542.db2.gz DXMHNAANGXMLIH-INIZCTEOSA-N 1 0 412.556 0.831 20 0 HCADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)C1 ZINC000497477713 1078258817 /nfs/dbraw/zinc/25/88/17/1078258817.db2.gz DXMHNAANGXMLIH-MRXNPFEDSA-N 1 0 412.556 0.831 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000497477900 1078259224 /nfs/dbraw/zinc/25/92/24/1078259224.db2.gz DFAAIEZRHQATAJ-IBGZPJMESA-N 1 0 419.574 0.720 20 0 HCADRO CN1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1Cc1ccccc1 ZINC000497477976 1078259108 /nfs/dbraw/zinc/25/91/08/1078259108.db2.gz FGIJEVMHMJETEP-JOCHJYFZSA-N 1 0 417.598 0.945 20 0 HCADRO CN1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1Cc1ccccc1 ZINC000497477977 1078259199 /nfs/dbraw/zinc/25/91/99/1078259199.db2.gz FGIJEVMHMJETEP-QFIPXVFZSA-N 1 0 417.598 0.945 20 0 HCADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)[C@H](C)C1 ZINC000497478369 1078259093 /nfs/dbraw/zinc/25/90/93/1078259093.db2.gz NWVKYJMFZGTFJJ-MOPGFXCFSA-N 1 0 423.602 0.807 20 0 HCADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)[C@@H](C)C1 ZINC000497478370 1078259080 /nfs/dbraw/zinc/25/90/80/1078259080.db2.gz NWVKYJMFZGTFJJ-OALUTQOASA-N 1 0 423.602 0.807 20 0 HCADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)[C@@H](C)C1 ZINC000497478371 1078259249 /nfs/dbraw/zinc/25/92/49/1078259249.db2.gz NWVKYJMFZGTFJJ-RBUKOAKNSA-N 1 0 423.602 0.807 20 0 HCADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)[C@H](C)C1 ZINC000497478372 1078259168 /nfs/dbraw/zinc/25/91/68/1078259168.db2.gz NWVKYJMFZGTFJJ-RTBURBONSA-N 1 0 423.602 0.807 20 0 HCADRO C[C@@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497478620 1078259035 /nfs/dbraw/zinc/25/90/35/1078259035.db2.gz XPPNKTWHBSLBDW-APWZRJJASA-N 1 0 413.522 0.977 20 0 HCADRO C[C@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497478621 1078259161 /nfs/dbraw/zinc/25/91/61/1078259161.db2.gz XPPNKTWHBSLBDW-LPHOPBHVSA-N 1 0 413.522 0.977 20 0 HCADRO C[C@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497478622 1078259244 /nfs/dbraw/zinc/25/92/44/1078259244.db2.gz XPPNKTWHBSLBDW-QFBILLFUSA-N 1 0 413.522 0.977 20 0 HCADRO C[C@@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497478623 1078259106 /nfs/dbraw/zinc/25/91/06/1078259106.db2.gz XPPNKTWHBSLBDW-VQIMIIECSA-N 1 0 413.522 0.977 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC000497479605 1078259125 /nfs/dbraw/zinc/25/91/25/1078259125.db2.gz LZFMTHRHSZGOMO-UHFFFAOYSA-N 1 0 417.554 0.938 20 0 HCADRO COCCC(=O)N1CCC(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000497479825 1078259049 /nfs/dbraw/zinc/25/90/49/1078259049.db2.gz IKJIQECMBOFRJZ-UHFFFAOYSA-N 1 0 418.542 0.660 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000497479973 1078259831 /nfs/dbraw/zinc/25/98/31/1078259831.db2.gz BZLPNFSYTRJSTF-IBGZPJMESA-N 1 0 424.590 0.356 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000497479975 1078259990 /nfs/dbraw/zinc/25/99/90/1078259990.db2.gz BZLPNFSYTRJSTF-LJQANCHMSA-N 1 0 424.590 0.356 20 0 HCADRO COC(=O)[C@]12CN(C(=O)NCCCC[NH+]3CCN(CCO)CC3)C[C@H]1CCCC2 ZINC000497480225 1078260014 /nfs/dbraw/zinc/26/00/14/1078260014.db2.gz JUOXZNHEOOMVGG-WIYYLYMNSA-N 1 0 410.559 0.751 20 0 HCADRO CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000497480606 1078259950 /nfs/dbraw/zinc/25/99/50/1078259950.db2.gz KPWOFRYDDQBQLT-ICSRJNTNSA-N 1 0 422.574 0.983 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)NCCn1cc(Br)cn1 ZINC000497481228 1078260060 /nfs/dbraw/zinc/26/00/60/1078260060.db2.gz MOLCVYXDRWQENF-UHFFFAOYSA-N 1 0 417.352 0.335 20 0 HCADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000497485227 1078256767 /nfs/dbraw/zinc/25/67/67/1078256767.db2.gz WVGRCGHXGKFLIG-ZDUSSCGKSA-N 1 0 401.485 0.807 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)CC1=O ZINC000497485471 1078256679 /nfs/dbraw/zinc/25/66/79/1078256679.db2.gz IQTAJJOTEBJOSD-INIZCTEOSA-N 1 0 408.524 0.205 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)CC1=O ZINC000497485472 1078256628 /nfs/dbraw/zinc/25/66/28/1078256628.db2.gz IQTAJJOTEBJOSD-MRXNPFEDSA-N 1 0 408.524 0.205 20 0 HCADRO CS(=O)(=O)C1(CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CCCC1 ZINC000497486289 1078257141 /nfs/dbraw/zinc/25/71/41/1078257141.db2.gz XEMMEGPIRBZOEZ-UHFFFAOYSA-N 1 0 404.577 0.033 20 0 HCADRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000497487006 1078257531 /nfs/dbraw/zinc/25/75/31/1078257531.db2.gz CUIPTHQNMRGAAR-HSALFYBXSA-N 1 0 412.575 0.602 20 0 HCADRO CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000497487007 1078257610 /nfs/dbraw/zinc/25/76/10/1078257610.db2.gz CUIPTHQNMRGAAR-SLFFLAALSA-N 1 0 412.575 0.602 20 0 HCADRO CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000497487008 1078257513 /nfs/dbraw/zinc/25/75/13/1078257513.db2.gz CUIPTHQNMRGAAR-VAMGGRTRSA-N 1 0 412.575 0.602 20 0 HCADRO CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000497487009 1078257576 /nfs/dbraw/zinc/25/75/76/1078257576.db2.gz CUIPTHQNMRGAAR-XUVXKRRUSA-N 1 0 412.575 0.602 20 0 HCADRO C[C@H](NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(=O)N1CCCCC1 ZINC000497487521 1078257215 /nfs/dbraw/zinc/25/72/15/1078257215.db2.gz HBXIFNPITYRANZ-GURQWTFNSA-N 1 0 405.587 0.746 20 0 HCADRO C[C@@H](NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(=O)N1CCCCC1 ZINC000497487523 1078257114 /nfs/dbraw/zinc/25/71/14/1078257114.db2.gz HBXIFNPITYRANZ-WRURNZQNSA-N 1 0 405.587 0.746 20 0 HCADRO COCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000497487756 1078257244 /nfs/dbraw/zinc/25/72/44/1078257244.db2.gz GMBNYDPXABXETK-GOSISDBHSA-N 1 0 417.554 0.983 20 0 HCADRO COCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000497487757 1078257091 /nfs/dbraw/zinc/25/70/91/1078257091.db2.gz GMBNYDPXABXETK-SFHVURJKSA-N 1 0 417.554 0.983 20 0 HCADRO COCCCNC(=O)C1CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000497492885 1078258712 /nfs/dbraw/zinc/25/87/12/1078258712.db2.gz AEZNEKBGJQVFQN-UHFFFAOYSA-N 1 0 417.554 0.985 20 0 HCADRO COCCNC(=O)CSc1ccccc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000497492943 1078262858 /nfs/dbraw/zinc/26/28/58/1078262858.db2.gz GOLVZSUIAKIHBP-UHFFFAOYSA-N 1 0 408.568 0.861 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000497493529 1078262903 /nfs/dbraw/zinc/26/29/03/1078262903.db2.gz HZKSCTDBEWQDST-UHFFFAOYSA-N 1 0 414.597 0.781 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000497494879 1078263200 /nfs/dbraw/zinc/26/32/00/1078263200.db2.gz XDZKCIZVPUSVHT-OALUTQOASA-N 1 0 410.584 0.856 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000497495105 1078263526 /nfs/dbraw/zinc/26/35/26/1078263526.db2.gz OSVHIEOPMJFZHG-UHFFFAOYSA-N 1 0 416.569 0.088 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000497495436 1078263551 /nfs/dbraw/zinc/26/35/51/1078263551.db2.gz QVAUJLWADPWQDF-SFHVURJKSA-N 1 0 414.547 0.834 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(CC[NH+](C)C)CC2)s1 ZINC000497497394 1078264527 /nfs/dbraw/zinc/26/45/27/1078264527.db2.gz ZCHZFRLBFMHTPE-INIZCTEOSA-N 1 0 414.597 0.915 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(CC[NH+](C)C)CC2)s1 ZINC000497497397 1078264548 /nfs/dbraw/zinc/26/45/48/1078264548.db2.gz ZCHZFRLBFMHTPE-MRXNPFEDSA-N 1 0 414.597 0.915 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000497498461 1078260659 /nfs/dbraw/zinc/26/06/59/1078260659.db2.gz DGDDDNNDHJWRMP-UHFFFAOYSA-N 1 0 415.585 0.072 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(CC[NH+](C)C)CC2)c1 ZINC000497498548 1078260728 /nfs/dbraw/zinc/26/07/28/1078260728.db2.gz DQDRKSCTOLFXHC-UHFFFAOYSA-N 1 0 412.556 0.239 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)CC2)cn1 ZINC000497498876 1078260261 /nfs/dbraw/zinc/26/02/61/1078260261.db2.gz XCSOGUWCGDETET-PBHICJAKSA-N 1 0 410.544 0.309 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)CC2)cn1 ZINC000497498878 1078260383 /nfs/dbraw/zinc/26/03/83/1078260383.db2.gz XCSOGUWCGDETET-RHSMWYFYSA-N 1 0 410.544 0.309 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)CC2)cn1 ZINC000497498879 1078260496 /nfs/dbraw/zinc/26/04/96/1078260496.db2.gz XCSOGUWCGDETET-WMLDXEAASA-N 1 0 410.544 0.309 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)CC2)cn1 ZINC000497498880 1078260440 /nfs/dbraw/zinc/26/04/40/1078260440.db2.gz XCSOGUWCGDETET-YOEHRIQHSA-N 1 0 410.544 0.309 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)CC2)cn1 ZINC000497498894 1078260418 /nfs/dbraw/zinc/26/04/18/1078260418.db2.gz XDUIUIHNZAJGNV-CRAIPNDOSA-N 1 0 424.571 0.699 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)CC2)cn1 ZINC000497498896 1078260367 /nfs/dbraw/zinc/26/03/67/1078260367.db2.gz XDUIUIHNZAJGNV-MAUKXSAKSA-N 1 0 424.571 0.699 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)CC2)cn1 ZINC000497498897 1078260485 /nfs/dbraw/zinc/26/04/85/1078260485.db2.gz XDUIUIHNZAJGNV-QAPCUYQASA-N 1 0 424.571 0.699 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)CC2)cn1 ZINC000497498898 1078260294 /nfs/dbraw/zinc/26/02/94/1078260294.db2.gz XDUIUIHNZAJGNV-YJBOKZPZSA-N 1 0 424.571 0.699 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(CC[NH+](C)C)CC2)cc1 ZINC000497499122 1078261347 /nfs/dbraw/zinc/26/13/47/1078261347.db2.gz GSZHCHXMSWPKPI-IBGZPJMESA-N 1 0 408.568 0.854 20 0 HCADRO COc1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000497499206 1078261485 /nfs/dbraw/zinc/26/14/85/1078261485.db2.gz HSXFTHOVIKQRRQ-UHFFFAOYSA-N 1 0 410.540 0.455 20 0 HCADRO CCOC(=O)c1cnn(C)c1NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497499549 1078261422 /nfs/dbraw/zinc/26/14/22/1078261422.db2.gz YOBUSPZGCVKLJS-SJPCQFCGSA-N 1 0 418.542 0.778 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C2=O)n(C)n1 ZINC000497499879 1078261147 /nfs/dbraw/zinc/26/11/47/1078261147.db2.gz ZLPXPNIVHOZAFF-BZSNNMDCSA-N 1 0 418.542 0.901 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2=O)n(C)n1 ZINC000497499881 1078261120 /nfs/dbraw/zinc/26/11/20/1078261120.db2.gz ZLPXPNIVHOZAFF-KSZLIROESA-N 1 0 418.542 0.901 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C2=O)n(C)n1 ZINC000497499882 1078261534 /nfs/dbraw/zinc/26/15/34/1078261534.db2.gz ZLPXPNIVHOZAFF-OKZBNKHCSA-N 1 0 418.542 0.901 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2=O)n(C)n1 ZINC000497499883 1078261444 /nfs/dbraw/zinc/26/14/44/1078261444.db2.gz ZLPXPNIVHOZAFF-RCCFBDPRSA-N 1 0 418.542 0.901 20 0 HCADRO COc1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1S(=O)(=O)NC(C)C ZINC000497501754 1078261852 /nfs/dbraw/zinc/26/18/52/1078261852.db2.gz RRHROXRXGQJGBQ-UHFFFAOYSA-N 1 0 412.556 0.701 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000497502135 1078262024 /nfs/dbraw/zinc/26/20/24/1078262024.db2.gz XHXISKMUMTYSLR-UHFFFAOYSA-N 1 0 424.567 0.335 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000497502233 1078262184 /nfs/dbraw/zinc/26/21/84/1078262184.db2.gz UWPYYHKUDDMDDJ-UHFFFAOYSA-N 1 0 410.540 0.027 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000497503140 1078262534 /nfs/dbraw/zinc/26/25/34/1078262534.db2.gz JZWPRNLKDFZGSD-IBGZPJMESA-N 1 0 422.618 0.504 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000497503143 1078262463 /nfs/dbraw/zinc/26/24/63/1078262463.db2.gz JZWPRNLKDFZGSD-LJQANCHMSA-N 1 0 422.618 0.504 20 0 HCADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3COCCN3CC3CCC3)CC2)C1 ZINC000497504666 1078262371 /nfs/dbraw/zinc/26/23/71/1078262371.db2.gz FLBGVYCRYFACSI-LEWJYISDSA-N 1 0 408.587 0.741 20 0 HCADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3COCCN3CC3CCC3)CC2)C1 ZINC000497504667 1078262420 /nfs/dbraw/zinc/26/24/20/1078262420.db2.gz FLBGVYCRYFACSI-NHCUHLMSSA-N 1 0 408.587 0.741 20 0 HCADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3COCCN3CC3CCC3)CC2)C1 ZINC000497504668 1078262400 /nfs/dbraw/zinc/26/24/00/1078262400.db2.gz FLBGVYCRYFACSI-RTWAWAEBSA-N 1 0 408.587 0.741 20 0 HCADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3COCCN3CC3CCC3)CC2)C1 ZINC000497504669 1078262554 /nfs/dbraw/zinc/26/25/54/1078262554.db2.gz FLBGVYCRYFACSI-SFTDATJTSA-N 1 0 408.587 0.741 20 0 HCADRO COc1cc(OC)c(CNC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)c(OC)c1 ZINC000497506464 1078265954 /nfs/dbraw/zinc/26/59/54/1078265954.db2.gz ICVITFMLIFQFLC-UHFFFAOYSA-N 1 0 408.499 0.034 20 0 HCADRO Cn1ccc(N2CCC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C2=O)n1 ZINC000497508189 1078266275 /nfs/dbraw/zinc/26/62/75/1078266275.db2.gz HBRBSJMTVBTWFC-BZSNNMDCSA-N 1 0 418.542 0.983 20 0 HCADRO Cn1ccc(N2CCC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2=O)n1 ZINC000497508190 1078266279 /nfs/dbraw/zinc/26/62/79/1078266279.db2.gz HBRBSJMTVBTWFC-KSZLIROESA-N 1 0 418.542 0.983 20 0 HCADRO Cn1ccc(N2CCC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C2=O)n1 ZINC000497508194 1078266280 /nfs/dbraw/zinc/26/62/80/1078266280.db2.gz HBRBSJMTVBTWFC-OKZBNKHCSA-N 1 0 418.542 0.983 20 0 HCADRO Cn1ccc(N2CCC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2=O)n1 ZINC000497508197 1078266237 /nfs/dbraw/zinc/26/62/37/1078266237.db2.gz HBRBSJMTVBTWFC-RCCFBDPRSA-N 1 0 418.542 0.983 20 0 HCADRO CCCn1c(N)c(C(=O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(=O)[nH]c1=O ZINC000497509124 1078266543 /nfs/dbraw/zinc/26/65/43/1078266543.db2.gz VXNCVWDREWLWLB-XYPWUTKMSA-N 1 0 418.542 0.367 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000497509474 1078266595 /nfs/dbraw/zinc/26/65/95/1078266595.db2.gz KARYGQRTCKFHGK-IBGZPJMESA-N 1 0 417.554 0.945 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000497509475 1078266473 /nfs/dbraw/zinc/26/64/73/1078266473.db2.gz KARYGQRTCKFHGK-LJQANCHMSA-N 1 0 417.554 0.945 20 0 HCADRO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000497509562 1078266250 /nfs/dbraw/zinc/26/62/50/1078266250.db2.gz LANZHBIPHDPAJR-GUDVDZBRSA-N 1 0 408.543 0.833 20 0 HCADRO O=C(N[C@H]1CCN(C2CCOCC2)C1=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000497509568 1078266401 /nfs/dbraw/zinc/26/64/01/1078266401.db2.gz LANZHBIPHDPAJR-IPMKNSEASA-N 1 0 408.543 0.833 20 0 HCADRO O=C(N[C@H]1CCN(C2CCOCC2)C1=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000497509570 1078266560 /nfs/dbraw/zinc/26/65/60/1078266560.db2.gz LANZHBIPHDPAJR-OTWHNJEPSA-N 1 0 408.543 0.833 20 0 HCADRO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000497509571 1078266376 /nfs/dbraw/zinc/26/63/76/1078266376.db2.gz LANZHBIPHDPAJR-QRVBRYPASA-N 1 0 408.543 0.833 20 0 HCADRO C[C@H](CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000497510696 1078266807 /nfs/dbraw/zinc/26/68/07/1078266807.db2.gz NJJNEFWYIAJOTJ-GOSISDBHSA-N 1 0 408.591 0.113 20 0 HCADRO C[C@@H](CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000497510697 1078266825 /nfs/dbraw/zinc/26/68/25/1078266825.db2.gz NJJNEFWYIAJOTJ-SFHVURJKSA-N 1 0 408.591 0.113 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000497511739 1078266823 /nfs/dbraw/zinc/26/68/23/1078266823.db2.gz IRPRLNIAWFKZCM-UHFFFAOYSA-N 1 0 400.570 0.852 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000497512633 1078267198 /nfs/dbraw/zinc/26/71/98/1078267198.db2.gz BWVTVWGVHNSLJR-INIZCTEOSA-N 1 0 402.495 0.517 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000497512636 1078267101 /nfs/dbraw/zinc/26/71/01/1078267101.db2.gz BWVTVWGVHNSLJR-MRXNPFEDSA-N 1 0 402.495 0.517 20 0 HCADRO CC[NH+]1CCC(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000497513142 1078267387 /nfs/dbraw/zinc/26/73/87/1078267387.db2.gz WURCJCIBUXANGG-GOSISDBHSA-N 1 0 424.567 0.816 20 0 HCADRO CC[NH+]1CCC(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000497513143 1078267447 /nfs/dbraw/zinc/26/74/47/1078267447.db2.gz WURCJCIBUXANGG-SFHVURJKSA-N 1 0 424.567 0.816 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000497513303 1078267391 /nfs/dbraw/zinc/26/73/91/1078267391.db2.gz JCOHIINIQQOGFF-KRWDZBQOSA-N 1 0 402.495 0.726 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000497513307 1078267370 /nfs/dbraw/zinc/26/73/70/1078267370.db2.gz JCOHIINIQQOGFF-QGZVFWFLSA-N 1 0 402.495 0.726 20 0 HCADRO Cc1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000497514745 1078267410 /nfs/dbraw/zinc/26/74/10/1078267410.db2.gz HFCGUKUNSUHTDG-UHFFFAOYSA-N 1 0 424.567 0.335 20 0 HCADRO COc1cccc(C[C@@H](C(=O)N2CCN(CC[NH+](C)C)CC2)n2nnnc2C)c1 ZINC000497516259 1078265695 /nfs/dbraw/zinc/26/56/95/1078265695.db2.gz NMGAYRLMPMGLMV-IBGZPJMESA-N 1 0 401.515 0.480 20 0 HCADRO COc1cccc(C[C@H](C(=O)N2CCN(CC[NH+](C)C)CC2)n2nnnc2C)c1 ZINC000497516262 1078265675 /nfs/dbraw/zinc/26/56/75/1078265675.db2.gz NMGAYRLMPMGLMV-LJQANCHMSA-N 1 0 401.515 0.480 20 0 HCADRO COc1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000497516395 1078265197 /nfs/dbraw/zinc/26/51/97/1078265197.db2.gz PKGINGPGTIOTLM-UHFFFAOYSA-N 1 0 424.567 0.799 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000497516963 1078269142 /nfs/dbraw/zinc/26/91/42/1078269142.db2.gz SAZZASWMWWXXTA-HNNXBMFYSA-N 1 0 400.570 0.607 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000497516966 1078269000 /nfs/dbraw/zinc/26/90/00/1078269000.db2.gz SAZZASWMWWXXTA-OAHLLOKOSA-N 1 0 400.570 0.607 20 0 HCADRO CN(CCCC(=O)N1CCN(CC[NH+](C)C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000497518430 1078269780 /nfs/dbraw/zinc/26/97/80/1078269780.db2.gz ZKELIDLKFTWEKL-UHFFFAOYSA-N 1 0 414.547 0.932 20 0 HCADRO COc1ccc(N2C[C@@H](C(=O)N3CCN(CC[NH+](C)C)CC3)CC2=O)c(OC)c1 ZINC000497520292 1078269622 /nfs/dbraw/zinc/26/96/22/1078269622.db2.gz OZPJWKFAZSJYFX-INIZCTEOSA-N 1 0 404.511 0.763 20 0 HCADRO COc1ccc(N2C[C@H](C(=O)N3CCN(CC[NH+](C)C)CC3)CC2=O)c(OC)c1 ZINC000497520294 1078269764 /nfs/dbraw/zinc/26/97/64/1078269764.db2.gz OZPJWKFAZSJYFX-MRXNPFEDSA-N 1 0 404.511 0.763 20 0 HCADRO CCN(CCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)S(C)(=O)=O ZINC000497536019 1078271607 /nfs/dbraw/zinc/27/16/07/1078271607.db2.gz OYASGOKEDITRQR-UHFFFAOYSA-N 1 0 421.589 0.441 20 0 HCADRO CCS(=O)(=O)N(C)CCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000497537479 1078272014 /nfs/dbraw/zinc/27/20/14/1078272014.db2.gz SJEBQTZBAPKQHS-UHFFFAOYSA-N 1 0 421.589 0.441 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000497538853 1078271948 /nfs/dbraw/zinc/27/19/48/1078271948.db2.gz UASKOFNYPWRJIK-UHFFFAOYSA-N 1 0 403.439 0.117 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000497548070 1078270558 /nfs/dbraw/zinc/27/05/58/1078270558.db2.gz TZZVTTRXKVDJBO-HNNXBMFYSA-N 1 0 410.496 0.209 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000497548071 1078270621 /nfs/dbraw/zinc/27/06/21/1078270621.db2.gz TZZVTTRXKVDJBO-OAHLLOKOSA-N 1 0 410.496 0.209 20 0 HCADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000497553196 1078277186 /nfs/dbraw/zinc/27/71/86/1078277186.db2.gz LNZICNUNXULCLZ-UHFFFAOYSA-N 1 0 400.439 0.737 20 0 HCADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000497556914 1078273790 /nfs/dbraw/zinc/27/37/90/1078273790.db2.gz QVBUEJMJEYFRSM-UHFFFAOYSA-N 1 0 407.858 0.841 20 0 HCADRO CS(=O)(=O)N1CCN(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000497561744 1078275436 /nfs/dbraw/zinc/27/54/36/1078275436.db2.gz MOIKCLHSUGOBOS-UHFFFAOYSA-N 1 0 408.590 0.053 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NCC(C)(C)[NH+](C)C)cc1C ZINC000497562186 1078275415 /nfs/dbraw/zinc/27/54/15/1078275415.db2.gz WBQUUQGXFJWWPR-INIZCTEOSA-N 1 0 412.556 0.672 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NCC(C)(C)[NH+](C)C)cc1C ZINC000497562187 1078275426 /nfs/dbraw/zinc/27/54/26/1078275426.db2.gz WBQUUQGXFJWWPR-MRXNPFEDSA-N 1 0 412.556 0.672 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC000497567004 1078278974 /nfs/dbraw/zinc/27/89/74/1078278974.db2.gz DPCDFIRFWDNYMM-KRWDZBQOSA-N 1 0 408.547 0.918 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2CCc3nnc(C)n3C2)CC1 ZINC000497567005 1078278940 /nfs/dbraw/zinc/27/89/40/1078278940.db2.gz DPCDFIRFWDNYMM-QGZVFWFLSA-N 1 0 408.547 0.918 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCNc3cc[nH+]cc3)CC2)cn1C ZINC000497580083 1078281592 /nfs/dbraw/zinc/28/15/92/1078281592.db2.gz XKQOEXXQOXORBB-UHFFFAOYSA-N 1 0 406.512 0.174 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000497585167 1078283275 /nfs/dbraw/zinc/28/32/75/1078283275.db2.gz NQDADQFQLZRNJW-DLBZAZTESA-N 1 0 410.540 0.725 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000497585168 1078283400 /nfs/dbraw/zinc/28/34/00/1078283400.db2.gz NQDADQFQLZRNJW-IAGOWNOFSA-N 1 0 410.540 0.725 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000497585169 1078283344 /nfs/dbraw/zinc/28/33/44/1078283344.db2.gz NQDADQFQLZRNJW-IRXDYDNUSA-N 1 0 410.540 0.725 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000497585170 1078283316 /nfs/dbraw/zinc/28/33/16/1078283316.db2.gz NQDADQFQLZRNJW-SJORKVTESA-N 1 0 410.540 0.725 20 0 HCADRO CC1CC[NH+](CCNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC1 ZINC000497585487 1078282968 /nfs/dbraw/zinc/28/29/68/1078282968.db2.gz PGYSKSPWSZCFDD-UHFFFAOYSA-N 1 0 412.556 0.831 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)C1 ZINC000497588897 1078283954 /nfs/dbraw/zinc/28/39/54/1078283954.db2.gz LREUTLNEODBRPO-INIZCTEOSA-N 1 0 412.556 0.831 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)C1 ZINC000497588898 1078283901 /nfs/dbraw/zinc/28/39/01/1078283901.db2.gz LREUTLNEODBRPO-MRXNPFEDSA-N 1 0 412.556 0.831 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 ZINC000497590079 1078284493 /nfs/dbraw/zinc/28/44/93/1078284493.db2.gz ZYSODPNFRYJQNJ-UHFFFAOYSA-N 1 0 405.499 0.354 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000497592824 1078284907 /nfs/dbraw/zinc/28/49/07/1078284907.db2.gz SWAPWOWNQDIRMS-GOSISDBHSA-N 1 0 422.530 0.294 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000497592825 1078284898 /nfs/dbraw/zinc/28/48/98/1078284898.db2.gz SWAPWOWNQDIRMS-SFHVURJKSA-N 1 0 422.530 0.294 20 0 HCADRO C[C@@H](CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)C[NH+]1CCCC1 ZINC000497592997 1078284890 /nfs/dbraw/zinc/28/48/90/1078284890.db2.gz VOMWAGYCTSBSFM-INIZCTEOSA-N 1 0 412.556 0.831 20 0 HCADRO C[C@H](CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)C[NH+]1CCCC1 ZINC000497592998 1078285280 /nfs/dbraw/zinc/28/52/80/1078285280.db2.gz VOMWAGYCTSBSFM-MRXNPFEDSA-N 1 0 412.556 0.831 20 0 HCADRO CN(CC[NH+]1CCCC1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000497593021 1078285133 /nfs/dbraw/zinc/28/51/33/1078285133.db2.gz VWVBJILEZSJJMP-UHFFFAOYSA-N 1 0 424.571 0.271 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000497594918 1078285858 /nfs/dbraw/zinc/28/58/58/1078285858.db2.gz GCBCWWXVVJLGIN-HNNXBMFYSA-N 1 0 400.545 0.829 20 0 HCADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000497594919 1078285975 /nfs/dbraw/zinc/28/59/75/1078285975.db2.gz GCBCWWXVVJLGIN-OAHLLOKOSA-N 1 0 400.545 0.829 20 0 HCADRO Cn1c(=O)c2ccc(C(=O)Nc3ccccc3C[NH+]3CCC(O)CC3)nc2n(C)c1=O ZINC000497596686 1078281609 /nfs/dbraw/zinc/28/16/09/1078281609.db2.gz IUKJSJKLPJMVEX-UHFFFAOYSA-N 1 0 423.473 0.841 20 0 HCADRO CN(CC[NH+]1CCCC1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000497597400 1078282895 /nfs/dbraw/zinc/28/28/95/1078282895.db2.gz AQJPLKGDMNAVRF-UHFFFAOYSA-N 1 0 410.540 0.945 20 0 HCADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+](CC3CCCC3)CC1)c(=O)n2C ZINC000497599457 1078288389 /nfs/dbraw/zinc/28/83/89/1078288389.db2.gz CYVMVXXVAPUNOC-UHFFFAOYSA-N 1 0 402.499 0.205 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497600544 1078288665 /nfs/dbraw/zinc/28/86/65/1078288665.db2.gz BLOUMWSSJLQKAX-DLBZAZTESA-N 1 0 416.522 0.870 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497600545 1078288762 /nfs/dbraw/zinc/28/87/62/1078288762.db2.gz BLOUMWSSJLQKAX-IAGOWNOFSA-N 1 0 416.522 0.870 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497600546 1078288803 /nfs/dbraw/zinc/28/88/03/1078288803.db2.gz BLOUMWSSJLQKAX-IRXDYDNUSA-N 1 0 416.522 0.870 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497600547 1078288712 /nfs/dbraw/zinc/28/87/12/1078288712.db2.gz BLOUMWSSJLQKAX-SJORKVTESA-N 1 0 416.522 0.870 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000497601516 1078289115 /nfs/dbraw/zinc/28/91/15/1078289115.db2.gz PZICKUZBLFTDLF-UHFFFAOYSA-N 1 0 402.492 0.863 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000497602118 1078289470 /nfs/dbraw/zinc/28/94/70/1078289470.db2.gz YXARSIUFFINCJI-UHFFFAOYSA-N 1 0 424.567 0.973 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000497603361 1078289808 /nfs/dbraw/zinc/28/98/08/1078289808.db2.gz BMSYKTPAYYIZGZ-DLBZAZTESA-N 1 0 410.540 0.725 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000497603362 1078289740 /nfs/dbraw/zinc/28/97/40/1078289740.db2.gz BMSYKTPAYYIZGZ-IAGOWNOFSA-N 1 0 410.540 0.725 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000497603363 1078289820 /nfs/dbraw/zinc/28/98/20/1078289820.db2.gz BMSYKTPAYYIZGZ-IRXDYDNUSA-N 1 0 410.540 0.725 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 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404.511 0.893 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000497618742 1078293988 /nfs/dbraw/zinc/29/39/88/1078293988.db2.gz BPXMURCDCGRGEJ-UHFFFAOYSA-N 1 0 412.556 0.748 20 0 HCADRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000497619628 1078293949 /nfs/dbraw/zinc/29/39/49/1078293949.db2.gz KGZGGLQMPRKWMO-UHFFFAOYSA-N 1 0 407.496 0.294 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000497627424 1078296566 /nfs/dbraw/zinc/29/65/66/1078296566.db2.gz MUNQAYWHNWGMFD-BRWVUGGUSA-N 1 0 402.561 0.601 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000497627427 1078296590 /nfs/dbraw/zinc/29/65/90/1078296590.db2.gz MUNQAYWHNWGMFD-GVDBMIGSSA-N 1 0 402.561 0.601 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000497627430 1078296540 /nfs/dbraw/zinc/29/65/40/1078296540.db2.gz MUNQAYWHNWGMFD-IXDOHACOSA-N 1 0 402.561 0.601 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000497627433 1078296574 /nfs/dbraw/zinc/29/65/74/1078296574.db2.gz MUNQAYWHNWGMFD-YESZJQIVSA-N 1 0 402.561 0.601 20 0 HCADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000497633071 1078294695 /nfs/dbraw/zinc/29/46/95/1078294695.db2.gz QXWMTUIGBPPOMI-INIZCTEOSA-N 1 0 411.572 0.935 20 0 HCADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000497633072 1078294653 /nfs/dbraw/zinc/29/46/53/1078294653.db2.gz QXWMTUIGBPPOMI-MRXNPFEDSA-N 1 0 411.572 0.935 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000497635088 1078295046 /nfs/dbraw/zinc/29/50/46/1078295046.db2.gz WXXPWGFZQSFRFC-MSOLQXFVSA-N 1 0 424.567 0.925 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000497635089 1078294903 /nfs/dbraw/zinc/29/49/03/1078294903.db2.gz WXXPWGFZQSFRFC-QZTJIDSGSA-N 1 0 424.567 0.925 20 0 HCADRO 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C[NH+](C)CCOc1cc(C(=O)NCCS(=O)(=O)NCc2ccccc2)ccn1 ZINC000497637575 1078298819 /nfs/dbraw/zinc/29/88/19/1078298819.db2.gz NNZSFORLENTNOB-UHFFFAOYSA-N 1 0 406.508 0.871 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cn(CCO)c(=O)[nH]c3=O)cc2)CC1 ZINC000497637637 1078298940 /nfs/dbraw/zinc/29/89/40/1078298940.db2.gz UYRJIIWLGQGURZ-UHFFFAOYSA-N 1 0 401.467 0.331 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000497640995 1078299103 /nfs/dbraw/zinc/29/91/03/1078299103.db2.gz BBFYTVVBPDKCDZ-MOPGFXCFSA-N 1 0 409.575 0.606 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000497641048 1078299680 /nfs/dbraw/zinc/29/96/80/1078299680.db2.gz BBFYTVVBPDKCDZ-OALUTQOASA-N 1 0 409.575 0.606 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000497641049 1078299749 /nfs/dbraw/zinc/29/97/49/1078299749.db2.gz BBFYTVVBPDKCDZ-RBUKOAKNSA-N 1 0 409.575 0.606 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000497641050 1078299714 /nfs/dbraw/zinc/29/97/14/1078299714.db2.gz BBFYTVVBPDKCDZ-RTBURBONSA-N 1 0 409.575 0.606 20 0 HCADRO O=C(NCCS(=O)(=O)NCC1CCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000497641482 1078299349 /nfs/dbraw/zinc/29/93/49/1078299349.db2.gz DTDHYBAXNZHHGF-MSOLQXFVSA-N 1 0 416.588 0.773 20 0 HCADRO O=C(NCCS(=O)(=O)NCC1CCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000497641483 1078299451 /nfs/dbraw/zinc/29/94/51/1078299451.db2.gz DTDHYBAXNZHHGF-QZTJIDSGSA-N 1 0 416.588 0.773 20 0 HCADRO O=C(NCCS(=O)(=O)NCC1CCC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000497641484 1078299404 /nfs/dbraw/zinc/29/94/04/1078299404.db2.gz DTDHYBAXNZHHGF-ROUUACIJSA-N 1 0 416.588 0.773 20 0 HCADRO O=C(NCCS(=O)(=O)NCC1CCC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000497641485 1078299683 /nfs/dbraw/zinc/29/96/83/1078299683.db2.gz DTDHYBAXNZHHGF-ZWKOTPCHSA-N 1 0 416.588 0.773 20 0 HCADRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000497641980 1078299336 /nfs/dbraw/zinc/29/93/36/1078299336.db2.gz IDBAENHWWWIRTQ-UHFFFAOYSA-N 1 0 421.586 0.875 20 0 HCADRO NC(=O)Cn1cc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cn1 ZINC000497645024 1078300099 /nfs/dbraw/zinc/30/00/99/1078300099.db2.gz YFFBOSLMNRQFNS-UHFFFAOYSA-N 1 0 412.494 0.999 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C2=O)cn1 ZINC000497645197 1078300359 /nfs/dbraw/zinc/30/03/59/1078300359.db2.gz CPPRFMGHYWQBAH-BZSNNMDCSA-N 1 0 404.515 0.593 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2=O)cn1 ZINC000497645198 1078300324 /nfs/dbraw/zinc/30/03/24/1078300324.db2.gz CPPRFMGHYWQBAH-KSZLIROESA-N 1 0 404.515 0.593 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C2=O)cn1 ZINC000497645199 1078300387 /nfs/dbraw/zinc/30/03/87/1078300387.db2.gz CPPRFMGHYWQBAH-OKZBNKHCSA-N 1 0 404.515 0.593 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2=O)cn1 ZINC000497645200 1078300363 /nfs/dbraw/zinc/30/03/63/1078300363.db2.gz CPPRFMGHYWQBAH-RCCFBDPRSA-N 1 0 404.515 0.593 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cn(CCO)c(=O)[nH]c3=O)CC2)c1 ZINC000497647038 1078300390 /nfs/dbraw/zinc/30/03/90/1078300390.db2.gz FKXSSIXHLADYCM-UHFFFAOYSA-N 1 0 415.494 0.192 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)[C@@H]2C1 ZINC000497651484 1078298373 /nfs/dbraw/zinc/29/83/73/1078298373.db2.gz KJGOBBLRFHWYEA-CRAIPNDOSA-N 1 0 414.572 0.695 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)[C@@H]2C1 ZINC000497651485 1078298259 /nfs/dbraw/zinc/29/82/59/1078298259.db2.gz KJGOBBLRFHWYEA-MAUKXSAKSA-N 1 0 414.572 0.695 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)[C@H]2C1 ZINC000497651486 1078298794 /nfs/dbraw/zinc/29/87/94/1078298794.db2.gz KJGOBBLRFHWYEA-QAPCUYQASA-N 1 0 414.572 0.695 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)[C@H]2C1 ZINC000497651487 1078298639 /nfs/dbraw/zinc/29/86/39/1078298639.db2.gz KJGOBBLRFHWYEA-YJBOKZPZSA-N 1 0 414.572 0.695 20 0 HCADRO COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000497651613 1078298385 /nfs/dbraw/zinc/29/83/85/1078298385.db2.gz MIDRZGIANGASKK-AEFFLSMTSA-N 1 0 410.540 0.847 20 0 HCADRO COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000497651614 1078298332 /nfs/dbraw/zinc/29/83/32/1078298332.db2.gz MIDRZGIANGASKK-FUHWJXTLSA-N 1 0 410.540 0.847 20 0 HCADRO COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000497651615 1078298287 /nfs/dbraw/zinc/29/82/87/1078298287.db2.gz MIDRZGIANGASKK-SJLPKXTDSA-N 1 0 410.540 0.847 20 0 HCADRO COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000497651690 1078298398 /nfs/dbraw/zinc/29/83/98/1078298398.db2.gz MIDRZGIANGASKK-WMZOPIPTSA-N 1 0 410.540 0.847 20 0 HCADRO O=C(CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000497654683 1078301909 /nfs/dbraw/zinc/30/19/09/1078301909.db2.gz ZJMNYIMUTZKVCE-UHFFFAOYSA-N 1 0 416.482 0.953 20 0 HCADRO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCC(=O)N1CCOCC1 ZINC000497654833 1078301656 /nfs/dbraw/zinc/30/16/56/1078301656.db2.gz DGBQHTOKKDHLRM-UHFFFAOYSA-N 1 0 407.511 0.745 20 0 HCADRO C[NH+](C)CCOc1cc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)ccn1 ZINC000497654940 1078301673 /nfs/dbraw/zinc/30/16/73/1078301673.db2.gz FVKVMQHCCBXDKS-UHFFFAOYSA-N 1 0 419.507 0.564 20 0 HCADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCc3cncnc3C2)CC1 ZINC000497657810 1078302123 /nfs/dbraw/zinc/30/21/23/1078302123.db2.gz RYWPVVIVDDRQIU-UHFFFAOYSA-N 1 0 422.489 0.778 20 0 HCADRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000497658520 1078302333 /nfs/dbraw/zinc/30/23/33/1078302333.db2.gz YZHRODPZNZZGFX-GOSISDBHSA-N 1 0 421.586 0.731 20 0 HCADRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000497658521 1078302421 /nfs/dbraw/zinc/30/24/21/1078302421.db2.gz YZHRODPZNZZGFX-SFHVURJKSA-N 1 0 421.586 0.731 20 0 HCADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000497661907 1078302804 /nfs/dbraw/zinc/30/28/04/1078302804.db2.gz WQGOEPPMLXTLGY-FQEVSTJZSA-N 1 0 417.602 0.871 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000497661908 1078302899 /nfs/dbraw/zinc/30/28/99/1078302899.db2.gz WQGOEPPMLXTLGY-HXUWFJFHSA-N 1 0 417.602 0.871 20 0 HCADRO NC(=O)N[C@@H](CO)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000497662611 1078303082 /nfs/dbraw/zinc/30/30/82/1078303082.db2.gz CMGHJCPQSLATNO-FQEVSTJZSA-N 1 0 411.506 0.654 20 0 HCADRO NC(=O)N[C@H](CO)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000497662619 1078303136 /nfs/dbraw/zinc/30/31/36/1078303136.db2.gz CMGHJCPQSLATNO-HXUWFJFHSA-N 1 0 411.506 0.654 20 0 HCADRO CCN(CC)S(=O)(=O)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000497662880 1078303078 /nfs/dbraw/zinc/30/30/78/1078303078.db2.gz QIOSPXGOBHUYGV-DLBZAZTESA-N 1 0 404.577 0.725 20 0 HCADRO CCN(CC)S(=O)(=O)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000497662881 1078303117 /nfs/dbraw/zinc/30/31/17/1078303117.db2.gz QIOSPXGOBHUYGV-IAGOWNOFSA-N 1 0 404.577 0.725 20 0 HCADRO CCN(CC)S(=O)(=O)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000497662882 1078303139 /nfs/dbraw/zinc/30/31/39/1078303139.db2.gz QIOSPXGOBHUYGV-IRXDYDNUSA-N 1 0 404.577 0.725 20 0 HCADRO CCN(CC)S(=O)(=O)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000497662883 1078303101 /nfs/dbraw/zinc/30/31/01/1078303101.db2.gz QIOSPXGOBHUYGV-SJORKVTESA-N 1 0 404.577 0.725 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)CN3C(=O)NC(C)(C)C3=O)CC2)c1 ZINC000497664732 1078303376 /nfs/dbraw/zinc/30/33/76/1078303376.db2.gz OUTFCTAYYLFNRW-UHFFFAOYSA-N 1 0 401.511 0.954 20 0 HCADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000497667521 1078300968 /nfs/dbraw/zinc/30/09/68/1078300968.db2.gz DLUKWDGXTKYHJL-MOPGFXCFSA-N 1 0 423.558 0.134 20 0 HCADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000497667524 1078301047 /nfs/dbraw/zinc/30/10/47/1078301047.db2.gz DLUKWDGXTKYHJL-OALUTQOASA-N 1 0 423.558 0.134 20 0 HCADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000497667526 1078300961 /nfs/dbraw/zinc/30/09/61/1078300961.db2.gz DLUKWDGXTKYHJL-RBUKOAKNSA-N 1 0 423.558 0.134 20 0 HCADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000497667527 1078301019 /nfs/dbraw/zinc/30/10/19/1078301019.db2.gz DLUKWDGXTKYHJL-RTBURBONSA-N 1 0 423.558 0.134 20 0 HCADRO COc1cc(OC)cc(C(=O)NCC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000497669713 1078301436 /nfs/dbraw/zinc/30/14/36/1078301436.db2.gz DPRVAVSTWDSVNQ-JXFKEZNVSA-N 1 0 418.538 0.918 20 0 HCADRO COc1cc(OC)cc(C(=O)NCC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000497669715 1078301394 /nfs/dbraw/zinc/30/13/94/1078301394.db2.gz DPRVAVSTWDSVNQ-OXJNMPFZSA-N 1 0 418.538 0.918 20 0 HCADRO COc1cc(OC)cc(C(=O)NCC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000497669717 1078301445 /nfs/dbraw/zinc/30/14/45/1078301445.db2.gz DPRVAVSTWDSVNQ-OXQOHEQNSA-N 1 0 418.538 0.918 20 0 HCADRO COc1cc(OC)cc(C(=O)NCC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000497669719 1078301433 /nfs/dbraw/zinc/30/14/33/1078301433.db2.gz DPRVAVSTWDSVNQ-UZLBHIALSA-N 1 0 418.538 0.918 20 0 HCADRO COc1ccc(C(=O)NCC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1OC ZINC000497670647 1078301006 /nfs/dbraw/zinc/30/10/06/1078301006.db2.gz NBNOYHNULGFXSQ-AEFFLSMTSA-N 1 0 418.538 0.918 20 0 HCADRO COc1ccc(C(=O)NCC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1OC ZINC000497670649 1078301040 /nfs/dbraw/zinc/30/10/40/1078301040.db2.gz NBNOYHNULGFXSQ-FUHWJXTLSA-N 1 0 418.538 0.918 20 0 HCADRO COc1ccc(C(=O)NCC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1OC ZINC000497670651 1078300973 /nfs/dbraw/zinc/30/09/73/1078300973.db2.gz NBNOYHNULGFXSQ-SJLPKXTDSA-N 1 0 418.538 0.918 20 0 HCADRO COc1ccc(C(=O)NCC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1OC ZINC000497670653 1078301016 /nfs/dbraw/zinc/30/10/16/1078301016.db2.gz NBNOYHNULGFXSQ-WMZOPIPTSA-N 1 0 418.538 0.918 20 0 HCADRO C[C@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497672181 1078304359 /nfs/dbraw/zinc/30/43/59/1078304359.db2.gz UOTFAHMKQIPTFY-DOTOQJQBSA-N 1 0 402.495 0.630 20 0 HCADRO C[C@@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497672184 1078304302 /nfs/dbraw/zinc/30/43/02/1078304302.db2.gz UOTFAHMKQIPTFY-NVXWUHKLSA-N 1 0 402.495 0.630 20 0 HCADRO C[C@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497672186 1078304351 /nfs/dbraw/zinc/30/43/51/1078304351.db2.gz UOTFAHMKQIPTFY-RDJZCZTQSA-N 1 0 402.495 0.630 20 0 HCADRO C[C@@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497672187 1078304336 /nfs/dbraw/zinc/30/43/36/1078304336.db2.gz UOTFAHMKQIPTFY-WBVHZDCISA-N 1 0 402.495 0.630 20 0 HCADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 ZINC000497679740 1078303587 /nfs/dbraw/zinc/30/35/87/1078303587.db2.gz QJAVXQHIWMELAK-UHFFFAOYSA-N 1 0 415.538 0.747 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000497682307 1078303854 /nfs/dbraw/zinc/30/38/54/1078303854.db2.gz UZKSGCHSQGTJEK-UHFFFAOYSA-N 1 0 408.591 0.210 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000497682562 1078303870 /nfs/dbraw/zinc/30/38/70/1078303870.db2.gz YJDGKSYLGGPOQG-CEXWTWQISA-N 1 0 408.543 0.021 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000497682563 1078303779 /nfs/dbraw/zinc/30/37/79/1078303779.db2.gz YJDGKSYLGGPOQG-GBESFXJTSA-N 1 0 408.543 0.021 20 0 HCADRO COCCC(=O)N1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000497686487 1078306561 /nfs/dbraw/zinc/30/65/61/1078306561.db2.gz GHLCZXGKHBWAIK-KRWDZBQOSA-N 1 0 411.547 0.256 20 0 HCADRO COCCC(=O)N1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000497686492 1078306696 /nfs/dbraw/zinc/30/66/96/1078306696.db2.gz GHLCZXGKHBWAIK-QGZVFWFLSA-N 1 0 411.547 0.256 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CCCC2)CC1 ZINC000497687112 1078307015 /nfs/dbraw/zinc/30/70/15/1078307015.db2.gz MQKSIYLVEWPFHD-RBUKOAKNSA-N 1 0 423.554 0.933 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000497687170 1078306888 /nfs/dbraw/zinc/30/68/88/1078306888.db2.gz JCSUZDDAPCWSIK-NRFANRHFSA-N 1 0 416.526 0.520 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000497687174 1078307220 /nfs/dbraw/zinc/30/72/20/1078307220.db2.gz JCSUZDDAPCWSIK-OAQYLSRUSA-N 1 0 416.526 0.520 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCc2nnc3n2CCCC3)CC1=O ZINC000497687775 1078306962 /nfs/dbraw/zinc/30/69/62/1078306962.db2.gz WISBGRDRVYDGNL-DLBZAZTESA-N 1 0 402.543 0.996 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCc2nnc3n2CCCC3)CC1=O ZINC000497687776 1078306879 /nfs/dbraw/zinc/30/68/79/1078306879.db2.gz WISBGRDRVYDGNL-IAGOWNOFSA-N 1 0 402.543 0.996 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCCc2nnc3n2CCCC3)CC1=O ZINC000497687777 1078307022 /nfs/dbraw/zinc/30/70/22/1078307022.db2.gz WISBGRDRVYDGNL-IRXDYDNUSA-N 1 0 402.543 0.996 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCc2nnc3n2CCCC3)CC1=O ZINC000497687778 1078307007 /nfs/dbraw/zinc/30/70/07/1078307007.db2.gz WISBGRDRVYDGNL-SJORKVTESA-N 1 0 402.543 0.996 20 0 HCADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000497694669 1078305382 /nfs/dbraw/zinc/30/53/82/1078305382.db2.gz BWVRQDWGVZSAGC-HKUYNNGSSA-N 1 0 420.558 0.464 20 0 HCADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000497694673 1078305602 /nfs/dbraw/zinc/30/56/02/1078305602.db2.gz BWVRQDWGVZSAGC-IEBWSBKVSA-N 1 0 420.558 0.464 20 0 HCADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000497694674 1078305530 /nfs/dbraw/zinc/30/55/30/1078305530.db2.gz BWVRQDWGVZSAGC-MJGOQNOKSA-N 1 0 420.558 0.464 20 0 HCADRO 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Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)C2)cn1 ZINC000497696210 1078306070 /nfs/dbraw/zinc/30/60/70/1078306070.db2.gz KBXAFRYLKRUTBS-MSOLQXFVSA-N 1 0 402.543 0.886 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)C2)cn1 ZINC000497696211 1078306253 /nfs/dbraw/zinc/30/62/53/1078306253.db2.gz KBXAFRYLKRUTBS-QZTJIDSGSA-N 1 0 402.543 0.886 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)C2)cn1 ZINC000497696212 1078306166 /nfs/dbraw/zinc/30/61/66/1078306166.db2.gz KBXAFRYLKRUTBS-ROUUACIJSA-N 1 0 402.543 0.886 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)C2)cn1 ZINC000497696213 1078305977 /nfs/dbraw/zinc/30/59/77/1078305977.db2.gz KBXAFRYLKRUTBS-ZWKOTPCHSA-N 1 0 402.543 0.886 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCC[N@@H+](C4CCCC4)CC3)C2)cn1 ZINC000497696344 1078306145 /nfs/dbraw/zinc/30/61/45/1078306145.db2.gz KMVKRLIGORCBOD-KRWDZBQOSA-N 1 0 402.543 0.982 20 0 HCADRO 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Cn1cc(N2CCC[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc3ccc(F)cc3)C2)cn1 ZINC000497716350 1078311346 /nfs/dbraw/zinc/31/13/46/1078311346.db2.gz ZDFWDXGUYWQLDL-SFHVURJKSA-N 1 0 416.501 0.892 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CCCO1 ZINC000497716416 1078311437 /nfs/dbraw/zinc/31/14/37/1078311437.db2.gz ZRUVNHDIBHAOLM-DLBZAZTESA-N 1 0 406.531 0.122 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CCCO1 ZINC000497716417 1078311389 /nfs/dbraw/zinc/31/13/89/1078311389.db2.gz ZRUVNHDIBHAOLM-IAGOWNOFSA-N 1 0 406.531 0.122 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CCCO1 ZINC000497716418 1078311426 /nfs/dbraw/zinc/31/14/26/1078311426.db2.gz ZRUVNHDIBHAOLM-IRXDYDNUSA-N 1 0 406.531 0.122 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CCCO1 ZINC000497716419 1078311312 /nfs/dbraw/zinc/31/13/12/1078311312.db2.gz ZRUVNHDIBHAOLM-SJORKVTESA-N 1 0 406.531 0.122 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000497716422 1078311379 /nfs/dbraw/zinc/31/13/79/1078311379.db2.gz ZTDJSQRRPQKOKX-UHFFFAOYSA-N 1 0 412.556 0.831 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)C2)cn1 ZINC000497716939 1078311308 /nfs/dbraw/zinc/31/13/08/1078311308.db2.gz JTEAQQKZZMMXBU-MSOLQXFVSA-N 1 0 402.543 0.695 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)C2)cn1 ZINC000497716940 1078311398 /nfs/dbraw/zinc/31/13/98/1078311398.db2.gz JTEAQQKZZMMXBU-QZTJIDSGSA-N 1 0 402.543 0.695 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)C2)cn1 ZINC000497716941 1078311449 /nfs/dbraw/zinc/31/14/49/1078311449.db2.gz JTEAQQKZZMMXBU-ROUUACIJSA-N 1 0 402.543 0.695 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)C2)cn1 ZINC000497716942 1078311409 /nfs/dbraw/zinc/31/14/09/1078311409.db2.gz JTEAQQKZZMMXBU-ZWKOTPCHSA-N 1 0 402.543 0.695 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000497717065 1078311193 /nfs/dbraw/zinc/31/11/93/1078311193.db2.gz LIBKUEYCABNJJI-UHFFFAOYSA-N 1 0 403.483 0.629 20 0 HCADRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000497718394 1078312071 /nfs/dbraw/zinc/31/20/71/1078312071.db2.gz ZSLZOTXCRKHKOR-UHFFFAOYSA-N 1 0 412.556 0.783 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000497718505 1078311825 /nfs/dbraw/zinc/31/18/25/1078311825.db2.gz DGULNOUBOGLKJI-UHFFFAOYSA-N 1 0 410.540 0.725 20 0 HCADRO Cc1c(NC(=O)CSCC(=O)N2CC([NH+](C)C)C2)c(=O)n(-c2ccccc2)n1C ZINC000497719548 1078312012 /nfs/dbraw/zinc/31/20/12/1078312012.db2.gz KVITURMSQRMCOG-UHFFFAOYSA-N 1 0 417.535 0.929 20 0 HCADRO CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC1 ZINC000497720219 1078312313 /nfs/dbraw/zinc/31/23/13/1078312313.db2.gz MSAWIZQEUMCAOE-UHFFFAOYSA-N 1 0 412.556 0.971 20 0 HCADRO CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC([NH+](C)C)C1 ZINC000497720575 1078312364 /nfs/dbraw/zinc/31/23/64/1078312364.db2.gz VGPVMUPBFPOCHS-GOSISDBHSA-N 1 0 411.524 0.923 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC([NH+](C)C)C1 ZINC000497720576 1078312324 /nfs/dbraw/zinc/31/23/24/1078312324.db2.gz VGPVMUPBFPOCHS-SFHVURJKSA-N 1 0 411.524 0.923 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2)cn1 ZINC000497721194 1078312542 /nfs/dbraw/zinc/31/25/42/1078312542.db2.gz RXAGFJHXDUNIKE-ABSDTBQOSA-N 1 0 414.554 0.980 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2)cn1 ZINC000497721195 1078312455 /nfs/dbraw/zinc/31/24/55/1078312455.db2.gz RXAGFJHXDUNIKE-FUHIMQAGSA-N 1 0 414.554 0.980 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2)cn1 ZINC000497721196 1078312484 /nfs/dbraw/zinc/31/24/84/1078312484.db2.gz RXAGFJHXDUNIKE-UWVAXJGDSA-N 1 0 414.554 0.980 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2)cn1 ZINC000497721197 1078312566 /nfs/dbraw/zinc/31/25/66/1078312566.db2.gz RXAGFJHXDUNIKE-ZWOKBUDYSA-N 1 0 414.554 0.980 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)NCc3ccc(CC[NH+](C)C)cc3)C2)cn1 ZINC000497722103 1078312294 /nfs/dbraw/zinc/31/22/94/1078312294.db2.gz WSIWCZCIBFYXBQ-IBGZPJMESA-N 1 0 412.538 0.926 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NCc3ccc(CC[NH+](C)C)cc3)C2)cn1 ZINC000497722104 1078312333 /nfs/dbraw/zinc/31/23/33/1078312333.db2.gz WSIWCZCIBFYXBQ-LJQANCHMSA-N 1 0 412.538 0.926 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000497724855 1078312789 /nfs/dbraw/zinc/31/27/89/1078312789.db2.gz DMPGMHFUODQLTA-UHFFFAOYSA-N 1 0 410.540 0.537 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2)cn1 ZINC000497725070 1078312800 /nfs/dbraw/zinc/31/28/00/1078312800.db2.gz GXHZRYRXNRNAEX-GOSISDBHSA-N 1 0 418.542 0.076 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2)cn1 ZINC000497725071 1078312729 /nfs/dbraw/zinc/31/27/29/1078312729.db2.gz GXHZRYRXNRNAEX-SFHVURJKSA-N 1 0 418.542 0.076 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)cn1 ZINC000497726290 1078313648 /nfs/dbraw/zinc/31/36/48/1078313648.db2.gz RYNOSVOEMWCDJP-MSOLQXFVSA-N 1 0 402.543 0.982 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)cn1 ZINC000497726291 1078313784 /nfs/dbraw/zinc/31/37/84/1078313784.db2.gz RYNOSVOEMWCDJP-QZTJIDSGSA-N 1 0 402.543 0.982 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)cn1 ZINC000497726292 1078313735 /nfs/dbraw/zinc/31/37/35/1078313735.db2.gz RYNOSVOEMWCDJP-ROUUACIJSA-N 1 0 402.543 0.982 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)cn1 ZINC000497726293 1078313626 /nfs/dbraw/zinc/31/36/26/1078313626.db2.gz RYNOSVOEMWCDJP-ZWKOTPCHSA-N 1 0 402.543 0.982 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)C2)cn1 ZINC000497727206 1078316427 /nfs/dbraw/zinc/31/64/27/1078316427.db2.gz WWHXPUJEZMVBBY-AEFFLSMTSA-N 1 0 406.531 0.074 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)C2)cn1 ZINC000497727208 1078316459 /nfs/dbraw/zinc/31/64/59/1078316459.db2.gz WWHXPUJEZMVBBY-FUHWJXTLSA-N 1 0 406.531 0.074 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)C2)cn1 ZINC000497727210 1078316571 /nfs/dbraw/zinc/31/65/71/1078316571.db2.gz WWHXPUJEZMVBBY-SJLPKXTDSA-N 1 0 406.531 0.074 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)C2)cn1 ZINC000497727212 1078316417 /nfs/dbraw/zinc/31/64/17/1078316417.db2.gz WWHXPUJEZMVBBY-WMZOPIPTSA-N 1 0 406.531 0.074 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000497728721 1078316555 /nfs/dbraw/zinc/31/65/55/1078316555.db2.gz KZWNRGBQJBBOHR-KRWDZBQOSA-N 1 0 410.540 0.678 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000497728723 1078316436 /nfs/dbraw/zinc/31/64/36/1078316436.db2.gz KZWNRGBQJBBOHR-QGZVFWFLSA-N 1 0 410.540 0.678 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000497729107 1078316504 /nfs/dbraw/zinc/31/65/04/1078316504.db2.gz PRSRXNALCFLHNT-UHFFFAOYSA-N 1 0 412.556 0.783 20 0 HCADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000497731060 1078316742 /nfs/dbraw/zinc/31/67/42/1078316742.db2.gz ZXXIKQKTVCCORL-CEXWTWQISA-N 1 0 419.547 0.975 20 0 HCADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000497731061 1078316815 /nfs/dbraw/zinc/31/68/15/1078316815.db2.gz ZXXIKQKTVCCORL-GBESFXJTSA-N 1 0 419.547 0.975 20 0 HCADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000497731062 1078316793 /nfs/dbraw/zinc/31/67/93/1078316793.db2.gz ZXXIKQKTVCCORL-GUDVDZBRSA-N 1 0 419.547 0.975 20 0 HCADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000497731063 1078316698 /nfs/dbraw/zinc/31/66/98/1078316698.db2.gz ZXXIKQKTVCCORL-IPMKNSEASA-N 1 0 419.547 0.975 20 0 HCADRO COC(=O)CC1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000497731737 1078316901 /nfs/dbraw/zinc/31/69/01/1078316901.db2.gz CRICWTODMPRQSN-UHFFFAOYSA-N 1 0 411.524 0.658 20 0 HCADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497733498 1078317410 /nfs/dbraw/zinc/31/74/10/1078317410.db2.gz ADLAVIPZNDNZKD-HKUYNNGSSA-N 1 0 423.521 0.865 20 0 HCADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497733503 1078317298 /nfs/dbraw/zinc/31/72/98/1078317298.db2.gz ADLAVIPZNDNZKD-IEBWSBKVSA-N 1 0 423.521 0.865 20 0 HCADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497733505 1078317356 /nfs/dbraw/zinc/31/73/56/1078317356.db2.gz ADLAVIPZNDNZKD-MJGOQNOKSA-N 1 0 423.521 0.865 20 0 HCADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497733507 1078317320 /nfs/dbraw/zinc/31/73/20/1078317320.db2.gz ADLAVIPZNDNZKD-PKOBYXMFSA-N 1 0 423.521 0.865 20 0 HCADRO COc1ccc([C@H](CNC(=O)CN2CCO[C@@H](C(N)=O)C2)[NH+]2CCCCC2)cc1 ZINC000497733990 1078317343 /nfs/dbraw/zinc/31/73/43/1078317343.db2.gz FRBJBKSACTZDOA-RBUKOAKNSA-N 1 0 404.511 0.525 20 0 HCADRO COc1ccc([C@@H](CNC(=O)CN2CCO[C@@H](C(N)=O)C2)[NH+]2CCCCC2)cc1 ZINC000497733991 1078317305 /nfs/dbraw/zinc/31/73/05/1078317305.db2.gz FRBJBKSACTZDOA-RTBURBONSA-N 1 0 404.511 0.525 20 0 HCADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000497734126 1078317427 /nfs/dbraw/zinc/31/74/27/1078317427.db2.gz GEINQLBDKFVFOJ-ZWKOTPCHSA-N 1 0 409.527 0.544 20 0 HCADRO CN1CC(=O)N(CCCC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1=O ZINC000497737084 1078314758 /nfs/dbraw/zinc/31/47/58/1078314758.db2.gz YLTNAIGYUBXWFV-MSOLQXFVSA-N 1 0 402.495 0.660 20 0 HCADRO CN1CC(=O)N(CCCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1=O ZINC000497737085 1078314660 /nfs/dbraw/zinc/31/46/60/1078314660.db2.gz YLTNAIGYUBXWFV-QZTJIDSGSA-N 1 0 402.495 0.660 20 0 HCADRO 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O=C(CSCC(=O)N1CCOCC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497739038 1078315556 /nfs/dbraw/zinc/31/55/56/1078315556.db2.gz JZQFJNSBQOANBY-OALUTQOASA-N 1 0 421.563 0.578 20 0 HCADRO O=C(CSCC(=O)N1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497739039 1078315446 /nfs/dbraw/zinc/31/54/46/1078315446.db2.gz JZQFJNSBQOANBY-RBUKOAKNSA-N 1 0 421.563 0.578 20 0 HCADRO O=C(CSCC(=O)N1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497739040 1078315482 /nfs/dbraw/zinc/31/54/82/1078315482.db2.gz JZQFJNSBQOANBY-RTBURBONSA-N 1 0 421.563 0.578 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCC[N@H+](C)C(C)C)c1 ZINC000497739332 1078315825 /nfs/dbraw/zinc/31/58/25/1078315825.db2.gz AOXIIXLPSGTNSR-UHFFFAOYSA-N 1 0 400.545 0.725 20 0 HCADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000497739864 1078315787 /nfs/dbraw/zinc/31/57/87/1078315787.db2.gz JFEUTOGBRLGGOD-KRWDZBQOSA-N 1 0 400.479 0.925 20 0 HCADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000497739866 1078315905 /nfs/dbraw/zinc/31/59/05/1078315905.db2.gz JFEUTOGBRLGGOD-QGZVFWFLSA-N 1 0 400.479 0.925 20 0 HCADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000497739897 1078315846 /nfs/dbraw/zinc/31/58/46/1078315846.db2.gz QRWPOBXROXFOHR-PMACEKPBSA-N 1 0 421.586 0.825 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000497742809 1078319807 /nfs/dbraw/zinc/31/98/07/1078319807.db2.gz VZZLBPXKFUNALJ-UHFFFAOYSA-N 1 0 417.466 0.344 20 0 HCADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000497744719 1078320121 /nfs/dbraw/zinc/32/01/21/1078320121.db2.gz VILCYYAPXFGTKZ-KRWDZBQOSA-N 1 0 403.527 0.791 20 0 HCADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000497744720 1078320263 /nfs/dbraw/zinc/32/02/63/1078320263.db2.gz VILCYYAPXFGTKZ-QGZVFWFLSA-N 1 0 403.527 0.791 20 0 HCADRO CC(=O)NCCNC(=O)CCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497744896 1078320160 /nfs/dbraw/zinc/32/01/60/1078320160.db2.gz HRPUVAWPPIDVHV-MOPGFXCFSA-N 1 0 404.511 0.018 20 0 HCADRO CC(=O)NCCNC(=O)CCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497744898 1078320215 /nfs/dbraw/zinc/32/02/15/1078320215.db2.gz HRPUVAWPPIDVHV-OALUTQOASA-N 1 0 404.511 0.018 20 0 HCADRO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497744900 1078320300 /nfs/dbraw/zinc/32/03/00/1078320300.db2.gz HRPUVAWPPIDVHV-RBUKOAKNSA-N 1 0 404.511 0.018 20 0 HCADRO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497744902 1078320138 /nfs/dbraw/zinc/32/01/38/1078320138.db2.gz HRPUVAWPPIDVHV-RTBURBONSA-N 1 0 404.511 0.018 20 0 HCADRO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497747386 1078318041 /nfs/dbraw/zinc/31/80/41/1078318041.db2.gz GCNDSUHRYMZGGQ-DOTOQJQBSA-N 1 0 406.508 0.285 20 0 HCADRO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497747387 1078318115 /nfs/dbraw/zinc/31/81/15/1078318115.db2.gz GCNDSUHRYMZGGQ-NVXWUHKLSA-N 1 0 406.508 0.285 20 0 HCADRO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497747388 1078318091 /nfs/dbraw/zinc/31/80/91/1078318091.db2.gz GCNDSUHRYMZGGQ-RDJZCZTQSA-N 1 0 406.508 0.285 20 0 HCADRO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497747389 1078318180 /nfs/dbraw/zinc/31/81/80/1078318180.db2.gz GCNDSUHRYMZGGQ-WBVHZDCISA-N 1 0 406.508 0.285 20 0 HCADRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000497749229 1078318347 /nfs/dbraw/zinc/31/83/47/1078318347.db2.gz BMEVWSHGWIXNIX-GFCCVEGCSA-N 1 0 401.485 0.120 20 0 HCADRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000497749230 1078318327 /nfs/dbraw/zinc/31/83/27/1078318327.db2.gz BMEVWSHGWIXNIX-LBPRGKRZSA-N 1 0 401.485 0.120 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000497751395 1078318548 /nfs/dbraw/zinc/31/85/48/1078318548.db2.gz WPGJDAVSFBFQRE-KBPBESRZSA-N 1 0 412.487 0.758 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000497751404 1078318572 /nfs/dbraw/zinc/31/85/72/1078318572.db2.gz WPGJDAVSFBFQRE-KGLIPLIRSA-N 1 0 412.487 0.758 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000497751406 1078318583 /nfs/dbraw/zinc/31/85/83/1078318583.db2.gz WPGJDAVSFBFQRE-UONOGXRCSA-N 1 0 412.487 0.758 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000497751407 1078318885 /nfs/dbraw/zinc/31/88/85/1078318885.db2.gz WPGJDAVSFBFQRE-ZIAGYGMSSA-N 1 0 412.487 0.758 20 0 HCADRO COC(=O)CC1CC[NH+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000497751926 1078318596 /nfs/dbraw/zinc/31/85/96/1078318596.db2.gz ZMCNMNFODJPGKU-UHFFFAOYSA-N 1 0 415.498 0.287 20 0 HCADRO O=C(CN1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1)N1CCOCC1 ZINC000497752489 1078318841 /nfs/dbraw/zinc/31/88/41/1078318841.db2.gz GMLGGFAQEWZRFN-UHFFFAOYSA-N 1 0 415.538 0.231 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000497753036 1078318804 /nfs/dbraw/zinc/31/88/04/1078318804.db2.gz KIEVSVLJLHTVML-GFCCVEGCSA-N 1 0 412.487 0.615 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000497753037 1078318864 /nfs/dbraw/zinc/31/88/64/1078318864.db2.gz KIEVSVLJLHTVML-LBPRGKRZSA-N 1 0 412.487 0.615 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000497753102 1078318873 /nfs/dbraw/zinc/31/88/73/1078318873.db2.gz LBXQCGGXAAQPMI-UHFFFAOYSA-N 1 0 418.491 0.099 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000497753334 1078319007 /nfs/dbraw/zinc/31/90/07/1078319007.db2.gz NFALWVBBJBMHKC-UHFFFAOYSA-N 1 0 408.430 0.502 20 0 HCADRO O=C(NCC1CC1)[C@H]1CCCN(CC(O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000497754272 1078319363 /nfs/dbraw/zinc/31/93/63/1078319363.db2.gz ULGXGKNRWUVEAU-PMACEKPBSA-N 1 0 420.598 0.824 20 0 HCADRO O=C(NCC1CC1)[C@@H]1CCCN(C[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000497754273 1078319478 /nfs/dbraw/zinc/31/94/78/1078319478.db2.gz ULGXGKNRWUVEAU-WKCHPHFGSA-N 1 0 420.598 0.824 20 0 HCADRO O=C(NCC1CC1)[C@@H]1CCCN(CC(O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1 ZINC000497754274 1078319447 /nfs/dbraw/zinc/31/94/47/1078319447.db2.gz ULGXGKNRWUVEAU-WOJBJXKFSA-N 1 0 420.598 0.824 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000497754547 1078319217 /nfs/dbraw/zinc/31/92/17/1078319217.db2.gz YCUBSANUGGTHRU-UHFFFAOYSA-N 1 0 409.462 0.768 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000497754595 1078319268 /nfs/dbraw/zinc/31/92/68/1078319268.db2.gz YVKAABCPEMPMIF-UHFFFAOYSA-N 1 0 414.453 0.824 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C(C)=O)CC2)c1 ZINC000497761419 1078320865 /nfs/dbraw/zinc/32/08/65/1078320865.db2.gz LPDXTVSELYVGQW-UHFFFAOYSA-N 1 0 403.483 0.596 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000497761693 1078320909 /nfs/dbraw/zinc/32/09/09/1078320909.db2.gz PXELZTHBEQPZST-INIZCTEOSA-N 1 0 424.523 0.551 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000497761694 1078320924 /nfs/dbraw/zinc/32/09/24/1078320924.db2.gz PXELZTHBEQPZST-MRXNPFEDSA-N 1 0 424.523 0.551 20 0 HCADRO OC(CN1CCCC[C@@H]1CN1CCOCC1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000497762957 1078321188 /nfs/dbraw/zinc/32/11/88/1078321188.db2.gz IZXLPBRGCMFZJS-FGZHOGPDSA-N 1 0 424.630 0.721 20 0 HCADRO OC(CN1CCCC[C@H]1CN1CCOCC1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000497762959 1078321094 /nfs/dbraw/zinc/32/10/94/1078321094.db2.gz IZXLPBRGCMFZJS-VXKWHMMOSA-N 1 0 424.630 0.721 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000497763152 1078321278 /nfs/dbraw/zinc/32/12/78/1078321278.db2.gz LPCJLNOCNHMPIF-UHFFFAOYSA-N 1 0 408.568 0.766 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000497763352 1078321543 /nfs/dbraw/zinc/32/15/43/1078321543.db2.gz ODFAWBKGKGHBBS-CABCVRRESA-N 1 0 412.487 0.758 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000497763353 1078321674 /nfs/dbraw/zinc/32/16/74/1078321674.db2.gz ODFAWBKGKGHBBS-GJZGRUSLSA-N 1 0 412.487 0.758 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1F ZINC000497763354 1078321712 /nfs/dbraw/zinc/32/17/12/1078321712.db2.gz ODFAWBKGKGHBBS-HUUCEWRRSA-N 1 0 412.487 0.758 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1F ZINC000497763355 1078321761 /nfs/dbraw/zinc/32/17/61/1078321761.db2.gz ODFAWBKGKGHBBS-LSDHHAIUSA-N 1 0 412.487 0.758 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000497764001 1078321477 /nfs/dbraw/zinc/32/14/77/1078321477.db2.gz XCONNEHOLCHWDY-GDBMZVCRSA-N 1 0 409.508 0.921 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000497764003 1078321485 /nfs/dbraw/zinc/32/14/85/1078321485.db2.gz XCONNEHOLCHWDY-GOEBONIOSA-N 1 0 409.508 0.921 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000497764005 1078321401 /nfs/dbraw/zinc/32/14/01/1078321401.db2.gz XCONNEHOLCHWDY-HOCLYGCPSA-N 1 0 409.508 0.921 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000497764006 1078321450 /nfs/dbraw/zinc/32/14/50/1078321450.db2.gz XCONNEHOLCHWDY-ZBFHGGJFSA-N 1 0 409.508 0.921 20 0 HCADRO CCn1cnnc1CNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000497764379 1078321747 /nfs/dbraw/zinc/32/17/47/1078321747.db2.gz ZKIJBAVQCODADL-UHFFFAOYSA-N 1 0 401.471 0.833 20 0 HCADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000497784748 1078324096 /nfs/dbraw/zinc/32/40/96/1078324096.db2.gz LQYOCVXIZLRMPN-DOTOQJQBSA-N 1 0 404.515 0.412 20 0 HCADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000497784749 1078324045 /nfs/dbraw/zinc/32/40/45/1078324045.db2.gz LQYOCVXIZLRMPN-NVXWUHKLSA-N 1 0 404.515 0.412 20 0 HCADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000497784750 1078324032 /nfs/dbraw/zinc/32/40/32/1078324032.db2.gz LQYOCVXIZLRMPN-RDJZCZTQSA-N 1 0 404.515 0.412 20 0 HCADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000497784751 1078324112 /nfs/dbraw/zinc/32/41/12/1078324112.db2.gz LQYOCVXIZLRMPN-WBVHZDCISA-N 1 0 404.515 0.412 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCC([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000497785200 1078325173 /nfs/dbraw/zinc/32/51/73/1078325173.db2.gz BPJCACOIEFRXIA-KRWDZBQOSA-N 1 0 402.499 0.119 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCC([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000497785201 1078325406 /nfs/dbraw/zinc/32/54/06/1078325406.db2.gz BPJCACOIEFRXIA-QGZVFWFLSA-N 1 0 402.499 0.119 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 ZINC000497794865 1078324930 /nfs/dbraw/zinc/32/49/30/1078324930.db2.gz GLKCHUAEJSITIE-UHFFFAOYSA-N 1 0 403.439 0.117 20 0 HCADRO CN1CCC([NH+]2CCC(NC(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)CC1 ZINC000497796271 1078324935 /nfs/dbraw/zinc/32/49/35/1078324935.db2.gz XKUHQYFLMLRLGL-UHFFFAOYSA-N 1 0 403.531 0.842 20 0 HCADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)C1=O ZINC000497796542 1078324948 /nfs/dbraw/zinc/32/49/48/1078324948.db2.gz ZJEPZRCNKYJIKY-UHFFFAOYSA-N 1 0 415.450 0.860 20 0 HCADRO C[NH+]1CCN(CCNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000497796691 1078324876 /nfs/dbraw/zinc/32/48/76/1078324876.db2.gz GEJXOTGBOSILCG-UHFFFAOYSA-N 1 0 400.570 0.900 20 0 HCADRO COc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000497797323 1078326017 /nfs/dbraw/zinc/32/60/17/1078326017.db2.gz ZBVBWUDSZZHRPX-UHFFFAOYSA-N 1 0 410.540 0.457 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCN3CC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000497797691 1078325190 /nfs/dbraw/zinc/32/51/90/1078325190.db2.gz DSHQAJDPMNLVRD-CALCHBBNSA-N 1 0 424.567 0.462 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCN3CC[NH+](C)CC3)c2)C[C@@H](C)O1 ZINC000497797692 1078325153 /nfs/dbraw/zinc/32/51/53/1078325153.db2.gz DSHQAJDPMNLVRD-IAGOWNOFSA-N 1 0 424.567 0.462 20 0 HCADRO C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCN3CC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000497797693 1078325052 /nfs/dbraw/zinc/32/50/52/1078325052.db2.gz DSHQAJDPMNLVRD-IRXDYDNUSA-N 1 0 424.567 0.462 20 0 HCADRO COc1ccc(CCN2C[C@H](C(=O)NCCN3CC[NH+](C)CC3)CC2=O)cc1OC ZINC000497798031 1078325104 /nfs/dbraw/zinc/32/51/04/1078325104.db2.gz HHZUYYJDCWENJK-GOSISDBHSA-N 1 0 418.538 0.458 20 0 HCADRO COc1ccc(CCN2C[C@@H](C(=O)NCCN3CC[NH+](C)CC3)CC2=O)cc1OC ZINC000497798033 1078325165 /nfs/dbraw/zinc/32/51/65/1078325165.db2.gz HHZUYYJDCWENJK-SFHVURJKSA-N 1 0 418.538 0.458 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[NH+](C4CCCCC4)CC3)C2)cn1 ZINC000497800087 1078327092 /nfs/dbraw/zinc/32/70/92/1078327092.db2.gz IDRXDVKVJXCEDS-KRWDZBQOSA-N 1 0 402.543 0.982 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[NH+](C4CCCCC4)CC3)C2)cn1 ZINC000497800088 1078327215 /nfs/dbraw/zinc/32/72/15/1078327215.db2.gz IDRXDVKVJXCEDS-QGZVFWFLSA-N 1 0 402.543 0.982 20 0 HCADRO CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O)C(C)C ZINC000497801129 1078327342 /nfs/dbraw/zinc/32/73/42/1078327342.db2.gz XJSINHOYFCGSKE-KRWDZBQOSA-N 1 0 406.531 0.609 20 0 HCADRO CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O)C(C)C ZINC000497801130 1078327357 /nfs/dbraw/zinc/32/73/57/1078327357.db2.gz XJSINHOYFCGSKE-QGZVFWFLSA-N 1 0 406.531 0.609 20 0 HCADRO CN1C(=O)C(=O)N(CC(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C1=O ZINC000497801212 1078327631 /nfs/dbraw/zinc/32/76/31/1078327631.db2.gz OCVGWDLAXMONBD-INIZCTEOSA-N 1 0 400.479 0.996 20 0 HCADRO CN1C(=O)C(=O)N(CC(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C1=O ZINC000497801213 1078327565 /nfs/dbraw/zinc/32/75/65/1078327565.db2.gz OCVGWDLAXMONBD-MRXNPFEDSA-N 1 0 400.479 0.996 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CC[NH+](C)CC3)C2)s1 ZINC000497803006 1078327596 /nfs/dbraw/zinc/32/75/96/1078327596.db2.gz VOLHDERHRRDSAP-INIZCTEOSA-N 1 0 414.597 0.821 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CC[NH+](C)CC3)C2)s1 ZINC000497803007 1078327522 /nfs/dbraw/zinc/32/75/22/1078327522.db2.gz VOLHDERHRRDSAP-MRXNPFEDSA-N 1 0 414.597 0.821 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCN2CC[NH+](C)CC2)s1 ZINC000497803038 1078327544 /nfs/dbraw/zinc/32/75/44/1078327544.db2.gz VVGXKKDPVKBCSY-HNNXBMFYSA-N 1 0 400.570 0.573 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCN2CC[NH+](C)CC2)s1 ZINC000497803039 1078327585 /nfs/dbraw/zinc/32/75/85/1078327585.db2.gz VVGXKKDPVKBCSY-OAHLLOKOSA-N 1 0 400.570 0.573 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000497805079 1078327502 /nfs/dbraw/zinc/32/75/02/1078327502.db2.gz KQZZMMBQMLWUPF-INIZCTEOSA-N 1 0 413.544 0.056 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000497805080 1078327782 /nfs/dbraw/zinc/32/77/82/1078327782.db2.gz KQZZMMBQMLWUPF-MRXNPFEDSA-N 1 0 413.544 0.056 20 0 HCADRO COc1cc2ncn(CCCC(=O)NCCN3CC[NH+](C)CC3)c(=O)c2cc1OC ZINC000497806786 1078327763 /nfs/dbraw/zinc/32/77/63/1078327763.db2.gz DLVGWCPKFGWYLQ-UHFFFAOYSA-N 1 0 417.510 0.558 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000497807288 1078327871 /nfs/dbraw/zinc/32/78/71/1078327871.db2.gz BGOFASUFMMGJLK-AEFFLSMTSA-N 1 0 418.542 0.658 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000497807289 1078327794 /nfs/dbraw/zinc/32/77/94/1078327794.db2.gz BGOFASUFMMGJLK-FUHWJXTLSA-N 1 0 418.542 0.658 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000497807290 1078327969 /nfs/dbraw/zinc/32/79/69/1078327969.db2.gz BGOFASUFMMGJLK-SJLPKXTDSA-N 1 0 418.542 0.658 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000497807291 1078328123 /nfs/dbraw/zinc/32/81/23/1078328123.db2.gz BGOFASUFMMGJLK-WMZOPIPTSA-N 1 0 418.542 0.658 20 0 HCADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCN1CC[NH+](C)CC1 ZINC000497807643 1078326214 /nfs/dbraw/zinc/32/62/14/1078326214.db2.gz KFOIXFARRSIJHW-KRWDZBQOSA-N 1 0 414.597 0.450 20 0 HCADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCN1CC[NH+](C)CC1 ZINC000497807644 1078326232 /nfs/dbraw/zinc/32/62/32/1078326232.db2.gz KFOIXFARRSIJHW-QGZVFWFLSA-N 1 0 414.597 0.450 20 0 HCADRO COc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1S(=O)(=O)NC(C)(C)C ZINC000497808848 1078326409 /nfs/dbraw/zinc/32/64/09/1078326409.db2.gz RJHPNMRVBDNREH-UHFFFAOYSA-N 1 0 412.556 0.749 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCN1CC[NH+](C)CC1 ZINC000497808850 1078326502 /nfs/dbraw/zinc/32/65/02/1078326502.db2.gz RKDOWMJZJJYMRP-KRWDZBQOSA-N 1 0 400.520 0.492 20 0 HCADRO COc1ccc(S(=O)(=O)N[C@H](C(=O)NCCN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000497809895 1078326519 /nfs/dbraw/zinc/32/65/19/1078326519.db2.gz YKUAWMOTZUOJPN-SFHVURJKSA-N 1 0 412.556 0.362 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)C2=O)cn1 ZINC000497811482 1078326705 /nfs/dbraw/zinc/32/67/05/1078326705.db2.gz DIWBQONWVZYCAN-AEFFLSMTSA-N 1 0 416.526 0.412 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)C2=O)cn1 ZINC000497811483 1078326662 /nfs/dbraw/zinc/32/66/62/1078326662.db2.gz DIWBQONWVZYCAN-FUHWJXTLSA-N 1 0 416.526 0.412 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)C2=O)cn1 ZINC000497811484 1078326645 /nfs/dbraw/zinc/32/66/45/1078326645.db2.gz DIWBQONWVZYCAN-SJLPKXTDSA-N 1 0 416.526 0.412 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)C2=O)cn1 ZINC000497811485 1078326714 /nfs/dbraw/zinc/32/67/14/1078326714.db2.gz DIWBQONWVZYCAN-WMZOPIPTSA-N 1 0 416.526 0.412 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2cccc(OCC(N)=O)c2)CC1 ZINC000497812522 1078326903 /nfs/dbraw/zinc/32/69/03/1078326903.db2.gz LPBIXJIGZMMQQK-UHFFFAOYSA-N 1 0 421.523 0.834 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000497813152 1078326916 /nfs/dbraw/zinc/32/69/16/1078326916.db2.gz RUYIVZXKAPHHAQ-UHFFFAOYSA-N 1 0 424.567 0.654 20 0 HCADRO C[NH+]1CCN(CCNC(=O)c2sccc2S(=O)(=O)NCc2ccco2)CC1 ZINC000497814489 1078327174 /nfs/dbraw/zinc/32/71/74/1078327174.db2.gz FARVENHMDMXENU-UHFFFAOYSA-N 1 0 412.537 0.797 20 0 HCADRO COc1ccc(I)c(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000497814826 1078326979 /nfs/dbraw/zinc/32/69/79/1078326979.db2.gz ZVYAJYTTYAPLRW-SECBINFHSA-N 1 0 421.235 0.277 20 0 HCADRO COc1ccc(I)c(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000497814827 1078326897 /nfs/dbraw/zinc/32/68/97/1078326897.db2.gz ZVYAJYTTYAPLRW-VIFPVBQESA-N 1 0 421.235 0.277 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCCN2CCC[C@H]2C(N)=O)CC1 ZINC000497820499 1078329362 /nfs/dbraw/zinc/32/93/62/1078329362.db2.gz OXRLGTNJHUXNLC-INIZCTEOSA-N 1 0 412.560 0.109 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCCN2CCC[C@@H]2C(N)=O)CC1 ZINC000497820502 1078329509 /nfs/dbraw/zinc/32/95/09/1078329509.db2.gz OXRLGTNJHUXNLC-MRXNPFEDSA-N 1 0 412.560 0.109 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000497821380 1078329723 /nfs/dbraw/zinc/32/97/23/1078329723.db2.gz IGWMZGXXOPUYGV-KRWDZBQOSA-N 1 0 417.576 0.201 20 0 HCADRO C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCN1CC[NH+](C)CC1 ZINC000497821809 1078329714 /nfs/dbraw/zinc/32/97/14/1078329714.db2.gz NTGFBTQUULGFLY-CYBMUJFWSA-N 1 0 422.473 0.736 20 0 HCADRO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCN1CC[NH+](C)CC1 ZINC000497821810 1078329704 /nfs/dbraw/zinc/32/97/04/1078329704.db2.gz NTGFBTQUULGFLY-ZDUSSCGKSA-N 1 0 422.473 0.736 20 0 HCADRO C[NH+]1CCN(CCNC(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000497822393 1078329787 /nfs/dbraw/zinc/32/97/87/1078329787.db2.gz RNMWSGGYVVINNM-UHFFFAOYSA-N 1 0 422.327 0.913 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000497828371 1078328381 /nfs/dbraw/zinc/32/83/81/1078328381.db2.gz LIBIWMBUHQBBAY-IKGGRYGDSA-N 1 0 402.495 0.926 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000497828372 1078328349 /nfs/dbraw/zinc/32/83/49/1078328349.db2.gz LIBIWMBUHQBBAY-IXDOHACOSA-N 1 0 402.495 0.926 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000497828373 1078328304 /nfs/dbraw/zinc/32/83/04/1078328304.db2.gz LIBIWMBUHQBBAY-ULQDDVLXSA-N 1 0 402.495 0.926 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000497828374 1078328275 /nfs/dbraw/zinc/32/82/75/1078328275.db2.gz LIBIWMBUHQBBAY-YESZJQIVSA-N 1 0 402.495 0.926 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2ccncc2OC[C@@H]2CCOC2)C1 ZINC000497830799 1078328665 /nfs/dbraw/zinc/32/86/65/1078328665.db2.gz FBAWZIUMRZIVHV-AEFFLSMTSA-N 1 0 419.526 0.884 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2ccncc2OC[C@H]2CCOC2)C1 ZINC000497830800 1078328504 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415.336 0.922 20 0 HCADRO c1cnc(N2CCN(CC3(C[NH+]4CCN(c5cnccn5)CC4)COC3)CC2)cn1 ZINC000497840204 1078331742 /nfs/dbraw/zinc/33/17/42/1078331742.db2.gz YXHCWJZFZWFTAT-UHFFFAOYSA-N 1 0 410.526 0.227 20 0 HCADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2cnn(CC(=O)NCCO)c2)[C@H](C(F)(F)F)C1 ZINC000497841771 1078332252 /nfs/dbraw/zinc/33/22/52/1078332252.db2.gz TWQSFRHOAQLXKX-CHWSQXEVSA-N 1 0 405.421 0.839 20 0 HCADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000497842681 1078332264 /nfs/dbraw/zinc/33/22/64/1078332264.db2.gz XBCKHDASNLPHOA-IBGZPJMESA-N 1 0 419.526 0.678 20 0 HCADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000497842682 1078332192 /nfs/dbraw/zinc/33/21/92/1078332192.db2.gz XBCKHDASNLPHOA-LJQANCHMSA-N 1 0 419.526 0.678 20 0 HCADRO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000497843906 1078332124 /nfs/dbraw/zinc/33/21/24/1078332124.db2.gz WHNAHNPAJNSSBC-GOSISDBHSA-N 1 0 407.490 0.808 20 0 HCADRO 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KVSSHRHKRRKHCN-USXIJHARSA-N 1 0 402.561 0.647 20 0 HCADRO COc1cc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)cc(S(C)(=O)=O)c1 ZINC000497857446 1078333788 /nfs/dbraw/zinc/33/37/88/1078333788.db2.gz NLHJNRKWTKIFOY-UHFFFAOYSA-N 1 0 413.496 0.266 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)ccc1F ZINC000497857695 1078333765 /nfs/dbraw/zinc/33/37/65/1078333765.db2.gz OCKHEQREYZNSCK-UHFFFAOYSA-N 1 0 414.503 0.911 20 0 HCADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000497858021 1078333779 /nfs/dbraw/zinc/33/37/79/1078333779.db2.gz PDDOUSLCUYYDKL-UHFFFAOYSA-N 1 0 402.492 0.861 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000497858475 1078334005 /nfs/dbraw/zinc/33/40/05/1078334005.db2.gz POUYEFHORHAJJE-GOSISDBHSA-N 1 0 420.510 0.474 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000497858476 1078333946 /nfs/dbraw/zinc/33/39/46/1078333946.db2.gz POUYEFHORHAJJE-SFHVURJKSA-N 1 0 420.510 0.474 20 0 HCADRO CN(C(=O)c1ccc(S(N)(=O)=O)nc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000497858720 1078334033 /nfs/dbraw/zinc/33/40/33/1078334033.db2.gz AYCQNBUMRNXAHV-UHFFFAOYSA-N 1 0 403.508 0.903 20 0 HCADRO CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000497859390 1078334272 /nfs/dbraw/zinc/33/42/72/1078334272.db2.gz WUCBICFOVJCGSY-UHFFFAOYSA-N 1 0 420.510 0.896 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000497860544 1078334249 /nfs/dbraw/zinc/33/42/49/1078334249.db2.gz PURGQULIEJLMFO-AWEZNQCLSA-N 1 0 417.514 0.772 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000497860545 1078334306 /nfs/dbraw/zinc/33/43/06/1078334306.db2.gz PURGQULIEJLMFO-CQSZACIVSA-N 1 0 417.514 0.772 20 0 HCADRO Cc1cc(I)cc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000497862064 1078334278 /nfs/dbraw/zinc/33/42/78/1078334278.db2.gz YBJHEAVTWUIVCS-GFCCVEGCSA-N 1 0 405.236 0.577 20 0 HCADRO Cc1cc(I)cc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000497862069 1078334268 /nfs/dbraw/zinc/33/42/68/1078334268.db2.gz YBJHEAVTWUIVCS-LBPRGKRZSA-N 1 0 405.236 0.577 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCNC(=O)c2cccc(OC)c2)CC1=O ZINC000497865262 1078334729 /nfs/dbraw/zinc/33/47/29/1078334729.db2.gz RONKCKOUIQBZRQ-MSOLQXFVSA-N 1 0 416.522 0.874 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCNC(=O)c2cccc(OC)c2)CC1=O ZINC000497865263 1078334789 /nfs/dbraw/zinc/33/47/89/1078334789.db2.gz RONKCKOUIQBZRQ-QZTJIDSGSA-N 1 0 416.522 0.874 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCNC(=O)c2cccc(OC)c2)CC1=O ZINC000497865264 1078334774 /nfs/dbraw/zinc/33/47/74/1078334774.db2.gz RONKCKOUIQBZRQ-ROUUACIJSA-N 1 0 416.522 0.874 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCNC(=O)c2cccc(OC)c2)CC1=O ZINC000497865265 1078334744 /nfs/dbraw/zinc/33/47/44/1078334744.db2.gz RONKCKOUIQBZRQ-ZWKOTPCHSA-N 1 0 416.522 0.874 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000497865564 1078333766 /nfs/dbraw/zinc/33/37/66/1078333766.db2.gz AGDDOOIWPFUKCL-UHFFFAOYSA-N 1 0 410.858 0.838 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(CS(N)(=O)=O)cc2)CC1=O ZINC000497865780 1078334913 /nfs/dbraw/zinc/33/49/13/1078334913.db2.gz AXUKOEFSVYTTOM-DOTOQJQBSA-N 1 0 408.524 0.746 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(CS(N)(=O)=O)cc2)CC1=O ZINC000497865781 1078334978 /nfs/dbraw/zinc/33/49/78/1078334978.db2.gz AXUKOEFSVYTTOM-NVXWUHKLSA-N 1 0 408.524 0.746 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(CS(N)(=O)=O)cc2)CC1=O ZINC000497865782 1078335016 /nfs/dbraw/zinc/33/50/16/1078335016.db2.gz AXUKOEFSVYTTOM-RDJZCZTQSA-N 1 0 408.524 0.746 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(CS(N)(=O)=O)cc2)CC1=O ZINC000497865783 1078334948 /nfs/dbraw/zinc/33/49/48/1078334948.db2.gz AXUKOEFSVYTTOM-WBVHZDCISA-N 1 0 408.524 0.746 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1F ZINC000497866750 1078337128 /nfs/dbraw/zinc/33/71/28/1078337128.db2.gz FKELAMUDMVWNHM-GFCCVEGCSA-N 1 0 400.476 0.663 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1F ZINC000497866751 1078337200 /nfs/dbraw/zinc/33/72/00/1078337200.db2.gz FKELAMUDMVWNHM-LBPRGKRZSA-N 1 0 400.476 0.663 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000497866824 1078337181 /nfs/dbraw/zinc/33/71/81/1078337181.db2.gz GKOPFSVRYDTKFV-UHFFFAOYSA-N 1 0 409.874 0.363 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)NCCCN2CC[NH+](CC)CC2)c1 ZINC000497866895 1078337238 /nfs/dbraw/zinc/33/72/38/1078337238.db2.gz FVKWLOSWQWAOGW-UHFFFAOYSA-N 1 0 403.527 0.861 20 0 HCADRO C[C@@H](NC(=O)c1cn(CCO)c(=O)[nH]c1=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000497867463 1078335238 /nfs/dbraw/zinc/33/52/38/1078335238.db2.gz ALSUZLNQEBYWRK-CYBMUJFWSA-N 1 0 419.457 0.323 20 0 HCADRO C[C@H](NC(=O)c1cn(CCO)c(=O)[nH]c1=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000497867464 1078335217 /nfs/dbraw/zinc/33/52/17/1078335217.db2.gz ALSUZLNQEBYWRK-ZDUSSCGKSA-N 1 0 419.457 0.323 20 0 HCADRO CN(C)S(=O)(=O)CCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000497867820 1078334959 /nfs/dbraw/zinc/33/49/59/1078334959.db2.gz GPNSEWRWKXYMQJ-GOSISDBHSA-N 1 0 423.583 0.724 20 0 HCADRO CN(C)S(=O)(=O)CCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000497867822 1078334969 /nfs/dbraw/zinc/33/49/69/1078334969.db2.gz GPNSEWRWKXYMQJ-SFHVURJKSA-N 1 0 423.583 0.724 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000497868405 1078335191 /nfs/dbraw/zinc/33/51/91/1078335191.db2.gz OEXJDXKVOOYMEH-UHFFFAOYSA-N 1 0 421.473 0.913 20 0 HCADRO O=C(CCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000497868766 1078335232 /nfs/dbraw/zinc/33/52/32/1078335232.db2.gz NURPBKIUWWZXHL-CYBMUJFWSA-N 1 0 416.482 0.999 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000497869543 1078335371 /nfs/dbraw/zinc/33/53/71/1078335371.db2.gz QFJMPJBGNYOQJK-HOTGVXAUSA-N 1 0 420.510 0.617 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000497869547 1078335386 /nfs/dbraw/zinc/33/53/86/1078335386.db2.gz QFJMPJBGNYOQJK-HZPDHXFCSA-N 1 0 420.510 0.617 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000497869548 1078335407 /nfs/dbraw/zinc/33/54/07/1078335407.db2.gz QFJMPJBGNYOQJK-IYBDPMFKSA-N 1 0 420.510 0.617 20 0 HCADRO Cc1cc(N2CCN(C(=O)c3ccnc(OCC[NH+](C)C)c3)CC2)n2ncnc2n1 ZINC000497870666 1078335396 /nfs/dbraw/zinc/33/53/96/1078335396.db2.gz ZTGYQMKLHCERBW-UHFFFAOYSA-N 1 0 410.482 0.731 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 ZINC000497871205 1078335379 /nfs/dbraw/zinc/33/53/79/1078335379.db2.gz WSAZEAAMEINMQS-UHFFFAOYSA-N 1 0 420.489 0.438 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc4c3CNC4=O)cn2)CC1 ZINC000497871414 1078335589 /nfs/dbraw/zinc/33/55/89/1078335589.db2.gz XVWDPFVNEUMSND-UHFFFAOYSA-N 1 0 422.489 0.722 20 0 HCADRO O=C(c1cn(CCO)c(=O)[nH]c1=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000497871839 1078335600 /nfs/dbraw/zinc/33/56/00/1078335600.db2.gz LBLWOTMRFVKRFQ-UHFFFAOYSA-N 1 0 400.479 0.722 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1F ZINC000497872606 1078335702 /nfs/dbraw/zinc/33/57/02/1078335702.db2.gz FCMZPCXKKLPYGA-CHWSQXEVSA-N 1 0 414.503 0.909 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1F ZINC000497872607 1078335646 /nfs/dbraw/zinc/33/56/46/1078335646.db2.gz FCMZPCXKKLPYGA-OLZOCXBDSA-N 1 0 414.503 0.909 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1F ZINC000497872608 1078335675 /nfs/dbraw/zinc/33/56/75/1078335675.db2.gz FCMZPCXKKLPYGA-QWHCGFSZSA-N 1 0 414.503 0.909 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1F ZINC000497872609 1078335573 /nfs/dbraw/zinc/33/55/73/1078335573.db2.gz FCMZPCXKKLPYGA-STQMWFEESA-N 1 0 414.503 0.909 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC(=O)NC(C)(C)C)c1 ZINC000497872957 1078335838 /nfs/dbraw/zinc/33/58/38/1078335838.db2.gz IKDIAOIQXYPKQE-UHFFFAOYSA-N 1 0 405.499 0.936 20 0 HCADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497873544 1078335895 /nfs/dbraw/zinc/33/58/95/1078335895.db2.gz LRQVSZOVTKOSLL-CABCVRRESA-N 1 0 402.495 0.478 20 0 HCADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497873545 1078335868 /nfs/dbraw/zinc/33/58/68/1078335868.db2.gz LRQVSZOVTKOSLL-GJZGRUSLSA-N 1 0 402.495 0.478 20 0 HCADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497873546 1078335891 /nfs/dbraw/zinc/33/58/91/1078335891.db2.gz LRQVSZOVTKOSLL-HUUCEWRRSA-N 1 0 402.495 0.478 20 0 HCADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497873547 1078335915 /nfs/dbraw/zinc/33/59/15/1078335915.db2.gz LRQVSZOVTKOSLL-LSDHHAIUSA-N 1 0 402.495 0.478 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)CC1 ZINC000497873580 1078335855 /nfs/dbraw/zinc/33/58/55/1078335855.db2.gz MELUVGUYZJLFTO-UHFFFAOYSA-N 1 0 404.437 0.830 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)ccc1F ZINC000497873752 1078335846 /nfs/dbraw/zinc/33/58/46/1078335846.db2.gz MZSXACYAGSQGIN-UHFFFAOYSA-N 1 0 400.476 0.617 20 0 HCADRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000497874380 1078336089 /nfs/dbraw/zinc/33/60/89/1078336089.db2.gz PMDZSVCPCBPPLZ-UHFFFAOYSA-N 1 0 415.512 0.510 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000497876273 1078336049 /nfs/dbraw/zinc/33/60/49/1078336049.db2.gz WKRUGIHAGBNIMJ-UHFFFAOYSA-N 1 0 423.901 0.753 20 0 HCADRO CN(CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC000497876655 1078336402 /nfs/dbraw/zinc/33/64/02/1078336402.db2.gz XOCUAZXIRXSQTK-CEXWTWQISA-N 1 0 409.552 0.105 20 0 HCADRO CN(CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC000497876656 1078336367 /nfs/dbraw/zinc/33/63/67/1078336367.db2.gz XOCUAZXIRXSQTK-GBESFXJTSA-N 1 0 409.552 0.105 20 0 HCADRO CN(CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC000497876657 1078336310 /nfs/dbraw/zinc/33/63/10/1078336310.db2.gz XOCUAZXIRXSQTK-GUDVDZBRSA-N 1 0 409.552 0.105 20 0 HCADRO CN(CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC000497876658 1078336423 /nfs/dbraw/zinc/33/64/23/1078336423.db2.gz XOCUAZXIRXSQTK-IPMKNSEASA-N 1 0 409.552 0.105 20 0 HCADRO O=C(NCC[NH+]1CCCCC1)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497876769 1078336384 /nfs/dbraw/zinc/33/63/84/1078336384.db2.gz SZTVKQHPORYTCZ-DLBZAZTESA-N 1 0 414.506 0.624 20 0 HCADRO O=C(NCC[NH+]1CCCCC1)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497876770 1078336391 /nfs/dbraw/zinc/33/63/91/1078336391.db2.gz SZTVKQHPORYTCZ-IAGOWNOFSA-N 1 0 414.506 0.624 20 0 HCADRO O=C(NCC[NH+]1CCCCC1)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497876771 1078336295 /nfs/dbraw/zinc/33/62/95/1078336295.db2.gz SZTVKQHPORYTCZ-IRXDYDNUSA-N 1 0 414.506 0.624 20 0 HCADRO O=C(NCC[NH+]1CCCCC1)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497876772 1078336349 /nfs/dbraw/zinc/33/63/49/1078336349.db2.gz SZTVKQHPORYTCZ-SJORKVTESA-N 1 0 414.506 0.624 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)ccc1F ZINC000497877360 1078336573 /nfs/dbraw/zinc/33/65/73/1078336573.db2.gz VTJGRDNGRIQJEL-UHFFFAOYSA-N 1 0 400.476 0.663 20 0 HCADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cccc2c1CNC2=O ZINC000497879124 1078336532 /nfs/dbraw/zinc/33/65/32/1078336532.db2.gz KQCNHNZJWGQSOF-UHFFFAOYSA-N 1 0 421.501 0.803 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)ccc1F ZINC000497880249 1078336771 /nfs/dbraw/zinc/33/67/71/1078336771.db2.gz MJCCMGNQJZIRML-UHFFFAOYSA-N 1 0 400.476 0.661 20 0 HCADRO C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000497881658 1078336995 /nfs/dbraw/zinc/33/69/95/1078336995.db2.gz HAALZQKMHABFBF-GDBMZVCRSA-N 1 0 400.479 0.232 20 0 HCADRO C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000497881660 1078336987 /nfs/dbraw/zinc/33/69/87/1078336987.db2.gz HAALZQKMHABFBF-GOEBONIOSA-N 1 0 400.479 0.232 20 0 HCADRO C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000497881662 1078337004 /nfs/dbraw/zinc/33/70/04/1078337004.db2.gz HAALZQKMHABFBF-HOCLYGCPSA-N 1 0 400.479 0.232 20 0 HCADRO C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000497881664 1078336949 /nfs/dbraw/zinc/33/69/49/1078336949.db2.gz HAALZQKMHABFBF-ZBFHGGJFSA-N 1 0 400.479 0.232 20 0 HCADRO C[NH+](C)CCOc1cc(C(=O)NCCS(=O)(=O)N2CCSCC2)ccn1 ZINC000497881767 1078336983 /nfs/dbraw/zinc/33/69/83/1078336983.db2.gz TXMAYOXHELTZSV-UHFFFAOYSA-N 1 0 402.542 0.130 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)ccc1F ZINC000497885696 1078338973 /nfs/dbraw/zinc/33/89/73/1078338973.db2.gz VBPQNFADXAUNMN-UHFFFAOYSA-N 1 0 400.476 0.520 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)Nc3cccc4c3CNC4=O)ccn2)CC1 ZINC000497886151 1078338998 /nfs/dbraw/zinc/33/89/98/1078338998.db2.gz WZWZDAAVBBKHSD-UHFFFAOYSA-N 1 0 408.462 0.332 20 0 HCADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000497886929 1078339281 /nfs/dbraw/zinc/33/92/81/1078339281.db2.gz YPJQRNIXLCSQMX-HKUYNNGSSA-N 1 0 423.521 0.865 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)ccc1F ZINC000497887496 1078339512 /nfs/dbraw/zinc/33/95/12/1078339512.db2.gz APGUTHJEFNXGCB-UHFFFAOYSA-N 1 0 414.503 0.909 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)ccc1F ZINC000497887556 1078339242 /nfs/dbraw/zinc/33/92/42/1078339242.db2.gz AYZOYQASGVPVFL-UHFFFAOYSA-N 1 0 402.492 0.907 20 0 HCADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000497888653 1078337453 /nfs/dbraw/zinc/33/74/53/1078337453.db2.gz FWTVTJOPXYWAMJ-UHFFFAOYSA-N 1 0 400.476 0.615 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCOCC2)c1 ZINC000497891632 1078338116 /nfs/dbraw/zinc/33/81/16/1078338116.db2.gz QUTCIQUEBVRJGE-INIZCTEOSA-N 1 0 419.526 0.742 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)CN2CCOCC2)c1 ZINC000497891633 1078338096 /nfs/dbraw/zinc/33/80/96/1078338096.db2.gz QUTCIQUEBVRJGE-MRXNPFEDSA-N 1 0 419.526 0.742 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000497891905 1078338126 /nfs/dbraw/zinc/33/81/26/1078338126.db2.gz SALUMFDQRDTCSE-GFCCVEGCSA-N 1 0 423.901 0.752 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000497891906 1078338159 /nfs/dbraw/zinc/33/81/59/1078338159.db2.gz SALUMFDQRDTCSE-LBPRGKRZSA-N 1 0 423.901 0.752 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000497892283 1078337928 /nfs/dbraw/zinc/33/79/28/1078337928.db2.gz UEWGDHMFPBBRHO-GFCCVEGCSA-N 1 0 400.476 0.663 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000497892285 1078337844 /nfs/dbraw/zinc/33/78/44/1078337844.db2.gz UEWGDHMFPBBRHO-LBPRGKRZSA-N 1 0 400.476 0.663 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)ccc1F ZINC000497892290 1078338082 /nfs/dbraw/zinc/33/80/82/1078338082.db2.gz YCQQFMQVFJCSON-UHFFFAOYSA-N 1 0 412.487 0.758 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000497892310 1078338101 /nfs/dbraw/zinc/33/81/01/1078338101.db2.gz YEQZRLFRENUUTL-UHFFFAOYSA-N 1 0 414.503 0.863 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)c1 ZINC000497893114 1078338091 /nfs/dbraw/zinc/33/80/91/1078338091.db2.gz YBPXGGPQHVHDHV-INIZCTEOSA-N 1 0 403.527 0.859 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)c1 ZINC000497893115 1078338135 /nfs/dbraw/zinc/33/81/35/1078338135.db2.gz YBPXGGPQHVHDHV-MRXNPFEDSA-N 1 0 403.527 0.859 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)ccc1F ZINC000497898165 1078339715 /nfs/dbraw/zinc/33/97/15/1078339715.db2.gz LEONOMDFIIKUAP-CYBMUJFWSA-N 1 0 402.492 0.765 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)ccc1F ZINC000497898166 1078339728 /nfs/dbraw/zinc/33/97/28/1078339728.db2.gz LEONOMDFIIKUAP-ZDUSSCGKSA-N 1 0 402.492 0.765 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)CC1 ZINC000497899467 1078339943 /nfs/dbraw/zinc/33/99/43/1078339943.db2.gz OYGZSTYRPBYJIG-LLVKDONJSA-N 1 0 404.437 0.828 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)CC1 ZINC000497899468 1078339848 /nfs/dbraw/zinc/33/98/48/1078339848.db2.gz OYGZSTYRPBYJIG-NSHDSACASA-N 1 0 404.437 0.828 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)ccc1F ZINC000497901405 1078340093 /nfs/dbraw/zinc/34/00/93/1078340093.db2.gz VCWGFSKFANRBNY-UHFFFAOYSA-N 1 0 400.476 0.665 20 0 HCADRO COC(=O)c1c(C)csc1NC(=O)C(=O)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000497901781 1078340082 /nfs/dbraw/zinc/34/00/82/1078340082.db2.gz VSAYMRXDUJEWFS-UHFFFAOYSA-N 1 0 424.523 0.875 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(C(=O)NCCOC)c2)CC1 ZINC000497901972 1078340127 /nfs/dbraw/zinc/34/01/27/1078340127.db2.gz XIBMHBSANVNZJT-INIZCTEOSA-N 1 0 419.526 0.144 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(C(=O)NCCOC)c2)CC1 ZINC000497901978 1078340137 /nfs/dbraw/zinc/34/01/37/1078340137.db2.gz XIBMHBSANVNZJT-MRXNPFEDSA-N 1 0 419.526 0.144 20 0 HCADRO Cc1c(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)n(C)nc1C(F)(F)F ZINC000497902510 1078340384 /nfs/dbraw/zinc/34/03/84/1078340384.db2.gz AYFHDYYVNYPYOX-UHFFFAOYSA-N 1 0 404.437 0.828 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)ccc1F ZINC000497902512 1078340292 /nfs/dbraw/zinc/34/02/92/1078340292.db2.gz AZABNISDCHJVFJ-UHFFFAOYSA-N 1 0 400.476 0.617 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000497903357 1078340507 /nfs/dbraw/zinc/34/05/07/1078340507.db2.gz FIPBUEHPIYWMCO-UHFFFAOYSA-N 1 0 419.526 0.144 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)ccc1F ZINC000497903899 1078340270 /nfs/dbraw/zinc/34/02/70/1078340270.db2.gz NXGSSHSXQFLVTE-GFCCVEGCSA-N 1 0 400.476 0.520 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)ccc1F ZINC000497903900 1078340308 /nfs/dbraw/zinc/34/03/08/1078340308.db2.gz NXGSSHSXQFLVTE-LBPRGKRZSA-N 1 0 400.476 0.520 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000497904499 1078340817 /nfs/dbraw/zinc/34/08/17/1078340817.db2.gz USHVANCGCXDIGG-INIZCTEOSA-N 1 0 422.551 0.801 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000497904500 1078340786 /nfs/dbraw/zinc/34/07/86/1078340786.db2.gz USHVANCGCXDIGG-MRXNPFEDSA-N 1 0 422.551 0.801 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 ZINC000497906191 1078340808 /nfs/dbraw/zinc/34/08/08/1078340808.db2.gz BUJOYUSLKONPDL-CYBMUJFWSA-N 1 0 414.503 0.863 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 ZINC000497906192 1078340749 /nfs/dbraw/zinc/34/07/49/1078340749.db2.gz BUJOYUSLKONPDL-ZDUSSCGKSA-N 1 0 414.503 0.863 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000497908702 1078341741 /nfs/dbraw/zinc/34/17/41/1078341741.db2.gz QPLXAEWZBILAHB-UHFFFAOYSA-N 1 0 423.901 0.752 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000497909365 1078341666 /nfs/dbraw/zinc/34/16/66/1078341666.db2.gz UZSRDFQRMCIHKK-UHFFFAOYSA-N 1 0 403.527 0.859 20 0 HCADRO O=C(NCCC[NH+]1CCCC1)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497909797 1078341680 /nfs/dbraw/zinc/34/16/80/1078341680.db2.gz YEDJZKQWZQLJNZ-DLBZAZTESA-N 1 0 414.506 0.624 20 0 HCADRO O=C(NCCC[NH+]1CCCC1)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497909798 1078341781 /nfs/dbraw/zinc/34/17/81/1078341781.db2.gz YEDJZKQWZQLJNZ-IAGOWNOFSA-N 1 0 414.506 0.624 20 0 HCADRO O=C(NCCC[NH+]1CCCC1)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497909799 1078341702 /nfs/dbraw/zinc/34/17/02/1078341702.db2.gz YEDJZKQWZQLJNZ-IRXDYDNUSA-N 1 0 414.506 0.624 20 0 HCADRO O=C(NCCC[NH+]1CCCC1)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497909800 1078341725 /nfs/dbraw/zinc/34/17/25/1078341725.db2.gz YEDJZKQWZQLJNZ-SJORKVTESA-N 1 0 414.506 0.624 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)ccc1F ZINC000497911828 1078339720 /nfs/dbraw/zinc/33/97/20/1078339720.db2.gz DFNMHVDIAPMTST-UHFFFAOYSA-N 1 0 400.476 0.665 20 0 HCADRO COc1cc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc(S(C)(=O)=O)c1 ZINC000497912081 1078342152 /nfs/dbraw/zinc/34/21/52/1078342152.db2.gz DLMCCSNQCYKSDJ-AWEZNQCLSA-N 1 0 413.496 0.000 20 0 HCADRO COc1cc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc(S(C)(=O)=O)c1 ZINC000497912082 1078342087 /nfs/dbraw/zinc/34/20/87/1078342087.db2.gz DLMCCSNQCYKSDJ-CQSZACIVSA-N 1 0 413.496 0.000 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)c1 ZINC000497912883 1078342198 /nfs/dbraw/zinc/34/21/98/1078342198.db2.gz HPRJKYQLQJLHRA-CYBMUJFWSA-N 1 0 404.389 0.945 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)c1 ZINC000497912884 1078342212 /nfs/dbraw/zinc/34/22/12/1078342212.db2.gz HPRJKYQLQJLHRA-ZDUSSCGKSA-N 1 0 404.389 0.945 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc4c3CNC4=O)cn2)CC1 ZINC000497913117 1078342178 /nfs/dbraw/zinc/34/21/78/1078342178.db2.gz IFOUQENPBOLNOJ-UHFFFAOYSA-N 1 0 408.462 0.332 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000497915007 1078342605 /nfs/dbraw/zinc/34/26/05/1078342605.db2.gz QWBVNQSKMGYJJA-GFCCVEGCSA-N 1 0 402.492 0.861 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000497915232 1078342574 /nfs/dbraw/zinc/34/25/74/1078342574.db2.gz RWSZLBAXLWHMFB-UHFFFAOYSA-N 1 0 409.874 0.363 20 0 HCADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000497915951 1078342783 /nfs/dbraw/zinc/34/27/83/1078342783.db2.gz HDUPTDAUNNNQJF-MRVPVSSYSA-N 1 0 420.235 0.352 20 0 HCADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000497915952 1078342843 /nfs/dbraw/zinc/34/28/43/1078342843.db2.gz HDUPTDAUNNNQJF-QMMMGPOBSA-N 1 0 420.235 0.352 20 0 HCADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497916312 1078342889 /nfs/dbraw/zinc/34/28/89/1078342889.db2.gz JOZRSNCFWNCNKK-DLBZAZTESA-N 1 0 416.522 0.868 20 0 HCADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497916313 1078342795 /nfs/dbraw/zinc/34/27/95/1078342795.db2.gz JOZRSNCFWNCNKK-IAGOWNOFSA-N 1 0 416.522 0.868 20 0 HCADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497916314 1078342809 /nfs/dbraw/zinc/34/28/09/1078342809.db2.gz JOZRSNCFWNCNKK-IRXDYDNUSA-N 1 0 416.522 0.868 20 0 HCADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497916315 1078342869 /nfs/dbraw/zinc/34/28/69/1078342869.db2.gz JOZRSNCFWNCNKK-SJORKVTESA-N 1 0 416.522 0.868 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 ZINC000497916470 1078343320 /nfs/dbraw/zinc/34/33/20/1078343320.db2.gz YFVUVUMCGJQJBU-UHFFFAOYSA-N 1 0 420.489 0.438 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497916566 1078343252 /nfs/dbraw/zinc/34/32/52/1078343252.db2.gz YSXAUHLYXIYFQB-BRWVUGGUSA-N 1 0 416.522 0.868 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497916569 1078343310 /nfs/dbraw/zinc/34/33/10/1078343310.db2.gz YSXAUHLYXIYFQB-IKGGRYGDSA-N 1 0 416.522 0.868 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497916573 1078343283 /nfs/dbraw/zinc/34/32/83/1078343283.db2.gz YSXAUHLYXIYFQB-IXDOHACOSA-N 1 0 416.522 0.868 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497916575 1078343238 /nfs/dbraw/zinc/34/32/38/1078343238.db2.gz YSXAUHLYXIYFQB-ZACQAIPSSA-N 1 0 416.522 0.868 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c(C)cc1Br ZINC000497918447 1078343483 /nfs/dbraw/zinc/34/34/83/1078343483.db2.gz VSQFFZXOIVQGTK-JTQLQIEISA-N 1 0 416.272 0.521 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c(C)cc1Br ZINC000497918449 1078343447 /nfs/dbraw/zinc/34/34/47/1078343447.db2.gz VSQFFZXOIVQGTK-SNVBAGLBSA-N 1 0 416.272 0.521 20 0 HCADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000497939833 1078347400 /nfs/dbraw/zinc/34/74/00/1078347400.db2.gz DDZHDWRRCUZCAG-INIZCTEOSA-N 1 0 423.901 0.133 20 0 HCADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000497939836 1078347359 /nfs/dbraw/zinc/34/73/59/1078347359.db2.gz DDZHDWRRCUZCAG-MRXNPFEDSA-N 1 0 423.901 0.133 20 0 HCADRO CN1CC(=O)N(CCCC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000497942627 1078347762 /nfs/dbraw/zinc/34/77/62/1078347762.db2.gz ARWZEFKCJCLQQY-UHFFFAOYSA-N 1 0 401.511 0.989 20 0 HCADRO C[NH+](C)CCOc1ccccc1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000497957804 1078350931 /nfs/dbraw/zinc/35/09/31/1078350931.db2.gz LTQPWTPCRHTYQC-UHFFFAOYSA-N 1 0 404.511 0.244 20 0 HCADRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000497965801 1078349123 /nfs/dbraw/zinc/34/91/23/1078349123.db2.gz CJZTYVFZASPLQV-UHFFFAOYSA-N 1 0 422.551 0.754 20 0 HCADRO O=C(CN1CCOCC1)N1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000497966750 1078349628 /nfs/dbraw/zinc/34/96/28/1078349628.db2.gz CBISOGYAPIMANU-UHFFFAOYSA-N 1 0 400.523 0.899 20 0 HCADRO COc1ccnc(N2CC[NH+](CCC(=O)N3CCN(c4ccccn4)CC3)CC2)n1 ZINC000497970999 1078350315 /nfs/dbraw/zinc/35/03/15/1078350315.db2.gz SPSWUSBIKGPUEO-UHFFFAOYSA-N 1 0 411.510 0.741 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000497981049 1078352505 /nfs/dbraw/zinc/35/25/05/1078352505.db2.gz DOAYUSHGNYKSKH-HNNXBMFYSA-N 1 0 415.560 0.492 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000497998821 1078353771 /nfs/dbraw/zinc/35/37/71/1078353771.db2.gz VYIZRGLYUPOZQX-UHFFFAOYSA-N 1 0 416.613 0.987 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)CC(=O)NC(C)C)c1 ZINC000498002803 1078355790 /nfs/dbraw/zinc/35/57/90/1078355790.db2.gz ZIEKEAAZGNSBPP-UHFFFAOYSA-N 1 0 405.499 0.888 20 0 HCADRO O=C(NCCC[NH+]1CCCCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000498004310 1078355756 /nfs/dbraw/zinc/35/57/56/1078355756.db2.gz GMYGPEIPHGLJEC-UHFFFAOYSA-N 1 0 422.551 0.803 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000498006232 1078356009 /nfs/dbraw/zinc/35/60/09/1078356009.db2.gz QGMVIUMJBVVEQW-UHFFFAOYSA-N 1 0 416.320 0.245 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)CC1 ZINC000498006811 1078356115 /nfs/dbraw/zinc/35/61/15/1078356115.db2.gz XAZINWCUURTVRA-UHFFFAOYSA-N 1 0 412.556 0.751 20 0 HCADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000498013025 1078355357 /nfs/dbraw/zinc/35/53/57/1078355357.db2.gz YHWKXGJNHOODNJ-RBUKOAKNSA-N 1 0 402.495 0.569 20 0 HCADRO CN1CC(=O)N(CCCC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000498019981 1078358234 /nfs/dbraw/zinc/35/82/34/1078358234.db2.gz FXMHLNACRZUBOJ-UHFFFAOYSA-N 1 0 401.511 0.595 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000498023404 1078356719 /nfs/dbraw/zinc/35/67/19/1078356719.db2.gz BJDPFHSHTPHTHA-INIZCTEOSA-N 1 0 403.593 0.231 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000498023406 1078356779 /nfs/dbraw/zinc/35/67/79/1078356779.db2.gz BJDPFHSHTPHTHA-MRXNPFEDSA-N 1 0 403.593 0.231 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1=O ZINC000498025047 1078357004 /nfs/dbraw/zinc/35/70/04/1078357004.db2.gz FQSAVUBRCQIWMT-GOEBONIOSA-N 1 0 408.524 0.914 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1=O ZINC000498025048 1078357056 /nfs/dbraw/zinc/35/70/56/1078357056.db2.gz FQSAVUBRCQIWMT-HOCLYGCPSA-N 1 0 408.524 0.914 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1=O ZINC000498025049 1078356975 /nfs/dbraw/zinc/35/69/75/1078356975.db2.gz FQSAVUBRCQIWMT-ZBFHGGJFSA-N 1 0 408.524 0.914 20 0 HCADRO C[C@H](CNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000498028609 1078357613 /nfs/dbraw/zinc/35/76/13/1078357613.db2.gz RATHYEMFJLIFNJ-MSOLQXFVSA-N 1 0 423.583 0.632 20 0 HCADRO C[C@@H](CNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000498028610 1078357593 /nfs/dbraw/zinc/35/75/93/1078357593.db2.gz RATHYEMFJLIFNJ-ROUUACIJSA-N 1 0 423.583 0.632 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)CC1 ZINC000498031657 1078359035 /nfs/dbraw/zinc/35/90/35/1078359035.db2.gz PXGXJJPDDFCANI-GQIGUUNPSA-N 1 0 408.547 0.422 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)CC1 ZINC000498031661 1078359095 /nfs/dbraw/zinc/35/90/95/1078359095.db2.gz PXGXJJPDDFCANI-GUXCAODWSA-N 1 0 408.547 0.422 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)CC1 ZINC000498031665 1078359012 /nfs/dbraw/zinc/35/90/12/1078359012.db2.gz PXGXJJPDDFCANI-JXXFODFXSA-N 1 0 408.547 0.422 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)CC1 ZINC000498031666 1078359073 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YJEYUEPDUCSWEK-IRXDYDNUSA-N 1 0 415.604 0.373 20 0 HCADRO C[C@H](CNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000498032787 1078359382 /nfs/dbraw/zinc/35/93/82/1078359382.db2.gz YJEYUEPDUCSWEK-SJORKVTESA-N 1 0 415.604 0.373 20 0 HCADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000498032922 1078359046 /nfs/dbraw/zinc/35/90/46/1078359046.db2.gz INFJLUCTIDDKKE-MSOLQXFVSA-N 1 0 405.520 0.197 20 0 HCADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000498032923 1078359330 /nfs/dbraw/zinc/35/93/30/1078359330.db2.gz INFJLUCTIDDKKE-ROUUACIJSA-N 1 0 405.520 0.197 20 0 HCADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)[C@@H](C)C1 ZINC000498034501 1078359582 /nfs/dbraw/zinc/35/95/82/1078359582.db2.gz YWSQGNKSFIWCKX-BZSNNMDCSA-N 1 0 404.511 0.763 20 0 HCADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)[C@H](C)C1 ZINC000498034502 1078359542 /nfs/dbraw/zinc/35/95/42/1078359542.db2.gz YWSQGNKSFIWCKX-FGTMMUONSA-N 1 0 404.511 0.763 20 0 HCADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)[C@@H](C)C1 ZINC000498034503 1078359604 /nfs/dbraw/zinc/35/96/04/1078359604.db2.gz YWSQGNKSFIWCKX-OKZBNKHCSA-N 1 0 404.511 0.763 20 0 HCADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)[C@H](C)C1 ZINC000498034504 1078359653 /nfs/dbraw/zinc/35/96/53/1078359653.db2.gz YWSQGNKSFIWCKX-SQNIBIBYSA-N 1 0 404.511 0.763 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000498035242 1078359459 /nfs/dbraw/zinc/35/94/59/1078359459.db2.gz DVPIAWFGLKJDHL-CVEARBPZSA-N 1 0 408.524 0.283 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000498035243 1078359317 /nfs/dbraw/zinc/35/93/17/1078359317.db2.gz DVPIAWFGLKJDHL-HOTGVXAUSA-N 1 0 408.524 0.283 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000498035244 1078359401 /nfs/dbraw/zinc/35/94/01/1078359401.db2.gz DVPIAWFGLKJDHL-HZPDHXFCSA-N 1 0 408.524 0.283 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000498035245 1078359443 /nfs/dbraw/zinc/35/94/43/1078359443.db2.gz DVPIAWFGLKJDHL-JKSUJKDBSA-N 1 0 408.524 0.283 20 0 HCADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 ZINC000498035599 1078359670 /nfs/dbraw/zinc/35/96/70/1078359670.db2.gz IUXXQWXXZRLSMX-UHFFFAOYSA-N 1 0 421.473 0.911 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1=O ZINC000498035649 1078359525 /nfs/dbraw/zinc/35/95/25/1078359525.db2.gz JJMYNKNWZVTBBH-CHWSQXEVSA-N 1 0 414.553 0.345 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1=O ZINC000498035650 1078359534 /nfs/dbraw/zinc/35/95/34/1078359534.db2.gz JJMYNKNWZVTBBH-OLZOCXBDSA-N 1 0 414.553 0.345 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1=O ZINC000498035651 1078359642 /nfs/dbraw/zinc/35/96/42/1078359642.db2.gz JJMYNKNWZVTBBH-QWHCGFSZSA-N 1 0 414.553 0.345 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CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)CC(C)C ZINC000498039752 1078360312 /nfs/dbraw/zinc/36/03/12/1078360312.db2.gz XMMBAXSTUSXWOV-BBWFWOEESA-N 1 0 401.573 0.895 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)CC(C)C ZINC000498039753 1078360257 /nfs/dbraw/zinc/36/02/57/1078360257.db2.gz XMMBAXSTUSXWOV-IKGGRYGDSA-N 1 0 401.573 0.895 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)CC(C)C ZINC000498039754 1078360232 /nfs/dbraw/zinc/36/02/32/1078360232.db2.gz XMMBAXSTUSXWOV-ULQDDVLXSA-N 1 0 401.573 0.895 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)CC(C)C ZINC000498039755 1078360315 /nfs/dbraw/zinc/36/03/15/1078360315.db2.gz XMMBAXSTUSXWOV-ZACQAIPSSA-N 1 0 401.573 0.895 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000498040680 1078360239 /nfs/dbraw/zinc/36/02/39/1078360239.db2.gz YLTBLXLPOJDRRB-GOEBONIOSA-N 1 0 415.560 0.346 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000498040685 1078360273 /nfs/dbraw/zinc/36/02/73/1078360273.db2.gz YLTBLXLPOJDRRB-HOCLYGCPSA-N 1 0 415.560 0.346 20 0 HCADRO CC[NH+](CC)CCOc1cc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)ccc1OC ZINC000498041741 1078360560 /nfs/dbraw/zinc/36/05/60/1078360560.db2.gz AEKXLQSNWMAITJ-UHFFFAOYSA-N 1 0 406.439 0.775 20 0 HCADRO CC(C)[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)N1CC[NH+](C)CC1 ZINC000498044232 1078358181 /nfs/dbraw/zinc/35/81/81/1078358181.db2.gz BJHUUMJIJQRLKI-INIZCTEOSA-N 1 0 416.613 0.842 20 0 HCADRO CC(C)[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)N1CC[NH+](C)CC1 ZINC000498044234 1078358249 /nfs/dbraw/zinc/35/82/49/1078358249.db2.gz BJHUUMJIJQRLKI-MRXNPFEDSA-N 1 0 416.613 0.842 20 0 HCADRO COc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc(OC)c1OCC(N)=O ZINC000498046205 1078358668 /nfs/dbraw/zinc/35/86/68/1078358668.db2.gz JPEATDZLMZUQMS-INIZCTEOSA-N 1 0 422.526 0.570 20 0 HCADRO COc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc(OC)c1OCC(N)=O 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1078361345 /nfs/dbraw/zinc/36/13/45/1078361345.db2.gz RUTOKHCRTKUUPV-BETUJISGSA-N 1 0 404.471 0.998 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C[C@@H](C)O1 ZINC000498048147 1078361390 /nfs/dbraw/zinc/36/13/90/1078361390.db2.gz RUTOKHCRTKUUPV-CHWSQXEVSA-N 1 0 404.471 0.998 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C[C@H](C)O1 ZINC000498048149 1078361452 /nfs/dbraw/zinc/36/14/52/1078361452.db2.gz RUTOKHCRTKUUPV-STQMWFEESA-N 1 0 404.471 0.998 20 0 HCADRO CC(C)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)[NH+]1CCN(C)CC1 ZINC000498048377 1078361209 /nfs/dbraw/zinc/36/12/09/1078361209.db2.gz SGTIYWFYQJTGMY-DOTOQJQBSA-N 1 0 414.547 0.881 20 0 HCADRO CC(C)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)[NH+]1CCN(C)CC1 ZINC000498048378 1078361430 /nfs/dbraw/zinc/36/14/30/1078361430.db2.gz SGTIYWFYQJTGMY-RDJZCZTQSA-N 1 0 414.547 0.881 20 0 HCADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cn(CCO)c(=O)[nH]c3=O)CC2)cc1 ZINC000498049378 1078361413 /nfs/dbraw/zinc/36/14/13/1078361413.db2.gz WYNVNLKXBAMAEB-UHFFFAOYSA-N 1 0 402.451 0.298 20 0 HCADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000498050121 1078361843 /nfs/dbraw/zinc/36/18/43/1078361843.db2.gz ZNBBMSGKJGBOTR-CYBMUJFWSA-N 1 0 419.457 0.565 20 0 HCADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000498050123 1078361923 /nfs/dbraw/zinc/36/19/23/1078361923.db2.gz ZNBBMSGKJGBOTR-ZDUSSCGKSA-N 1 0 419.457 0.565 20 0 HCADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1 ZINC000498052658 1078362030 /nfs/dbraw/zinc/36/20/30/1078362030.db2.gz AWAIGRSWAPFHDU-HNNXBMFYSA-N 1 0 410.540 0.632 20 0 HCADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1 ZINC000498052659 1078362063 /nfs/dbraw/zinc/36/20/63/1078362063.db2.gz AWAIGRSWAPFHDU-OAHLLOKOSA-N 1 0 410.540 0.632 20 0 HCADRO COc1ccccc1[C@H](CNC(=O)c1cn(CCO)c(=O)[nH]c1=O)[NH+]1CCCC1 ZINC000498052973 1078361801 /nfs/dbraw/zinc/36/18/01/1078361801.db2.gz BEZIAEXRKSMSLV-INIZCTEOSA-N 1 0 402.451 0.517 20 0 HCADRO COc1ccccc1[C@@H](CNC(=O)c1cn(CCO)c(=O)[nH]c1=O)[NH+]1CCCC1 ZINC000498052974 1078361878 /nfs/dbraw/zinc/36/18/78/1078361878.db2.gz BEZIAEXRKSMSLV-MRXNPFEDSA-N 1 0 402.451 0.517 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1OC ZINC000498053304 1078361819 /nfs/dbraw/zinc/36/18/19/1078361819.db2.gz DEPUNZUWYWIIQU-INIZCTEOSA-N 1 0 412.556 0.605 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1OC ZINC000498053305 1078361914 /nfs/dbraw/zinc/36/19/14/1078361914.db2.gz DEPUNZUWYWIIQU-MRXNPFEDSA-N 1 0 412.556 0.605 20 0 HCADRO C[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000498060012 1078360953 /nfs/dbraw/zinc/36/09/53/1078360953.db2.gz LTGPNNYICKSLTR-GFCCVEGCSA-N 1 0 405.430 0.175 20 0 HCADRO C[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000498060015 1078360988 /nfs/dbraw/zinc/36/09/88/1078360988.db2.gz LTGPNNYICKSLTR-LBPRGKRZSA-N 1 0 405.430 0.175 20 0 HCADRO CC(C)[C@H](CNC(=O)CCNS(=O)(=O)c1cccs1)[NH+]1CCN(C)CC1 ZINC000498060936 1078361223 /nfs/dbraw/zinc/36/12/23/1078361223.db2.gz IBLWUUHZJLBOJC-HNNXBMFYSA-N 1 0 402.586 0.805 20 0 HCADRO CC(C)[C@@H](CNC(=O)CCNS(=O)(=O)c1cccs1)[NH+]1CCN(C)CC1 ZINC000498060937 1078361144 /nfs/dbraw/zinc/36/11/44/1078361144.db2.gz IBLWUUHZJLBOJC-OAHLLOKOSA-N 1 0 402.586 0.805 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1F ZINC000498061695 1078364459 /nfs/dbraw/zinc/36/44/59/1078364459.db2.gz WSOKBWFRDMMEKO-CYBMUJFWSA-N 1 0 414.503 0.911 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1F ZINC000498061696 1078364438 /nfs/dbraw/zinc/36/44/38/1078364438.db2.gz WSOKBWFRDMMEKO-ZDUSSCGKSA-N 1 0 414.503 0.911 20 0 HCADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000498061987 1078364254 /nfs/dbraw/zinc/36/42/54/1078364254.db2.gz YGNLISQVUKWMAZ-QZTJIDSGSA-N 1 0 402.605 0.969 20 0 HCADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000498061988 1078364291 /nfs/dbraw/zinc/36/42/91/1078364291.db2.gz YGNLISQVUKWMAZ-ZWKOTPCHSA-N 1 0 402.605 0.969 20 0 HCADRO CN1C(=O)C(=O)N(CC(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)C1=O ZINC000498066018 1078362884 /nfs/dbraw/zinc/36/28/84/1078362884.db2.gz BSCAQZHQPBKWGW-UHFFFAOYSA-N 1 0 415.450 0.860 20 0 HCADRO O=C(CCC(=O)N1CCC(O)CC1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000498067319 1078363063 /nfs/dbraw/zinc/36/30/63/1078363063.db2.gz IRWWGDFRCFQODK-UHFFFAOYSA-N 1 0 402.539 0.684 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)ccc1F ZINC000498067503 1078363472 /nfs/dbraw/zinc/36/34/72/1078363472.db2.gz OAWMBEHIRDPROF-UHFFFAOYSA-N 1 0 422.482 0.921 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)ccc1F ZINC000498067955 1078363297 /nfs/dbraw/zinc/36/32/97/1078363297.db2.gz QNTXJFCQUUUOJL-UHFFFAOYSA-N 1 0 414.503 0.863 20 0 HCADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000498068096 1078363236 /nfs/dbraw/zinc/36/32/36/1078363236.db2.gz VIJIJFFEBOCKJD-HNNXBMFYSA-N 1 0 422.551 0.609 20 0 HCADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000498068097 1078363328 /nfs/dbraw/zinc/36/33/28/1078363328.db2.gz VIJIJFFEBOCKJD-OAHLLOKOSA-N 1 0 422.551 0.609 20 0 HCADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1 ZINC000498068872 1078363575 /nfs/dbraw/zinc/36/35/75/1078363575.db2.gz YBDJVGGLNKTOKB-GFCCVEGCSA-N 1 0 400.476 0.520 20 0 HCADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1 ZINC000498068873 1078363508 /nfs/dbraw/zinc/36/35/08/1078363508.db2.gz YBDJVGGLNKTOKB-LBPRGKRZSA-N 1 0 400.476 0.520 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cn(CCO)c(=O)[nH]c3=O)c(C)c2)CC1 ZINC000498069074 1078363533 /nfs/dbraw/zinc/36/35/33/1078363533.db2.gz BLDQFAWJEYGYRE-UHFFFAOYSA-N 1 0 401.467 0.644 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1F ZINC000498070075 1078363818 /nfs/dbraw/zinc/36/38/18/1078363818.db2.gz AIBWIVOGHHTPJM-CHWSQXEVSA-N 1 0 414.503 0.909 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1F ZINC000498070076 1078363780 /nfs/dbraw/zinc/36/37/80/1078363780.db2.gz AIBWIVOGHHTPJM-OLZOCXBDSA-N 1 0 414.503 0.909 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1F ZINC000498070077 1078363681 /nfs/dbraw/zinc/36/36/81/1078363681.db2.gz AIBWIVOGHHTPJM-QWHCGFSZSA-N 1 0 414.503 0.909 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1F ZINC000498070078 1078363799 /nfs/dbraw/zinc/36/37/99/1078363799.db2.gz AIBWIVOGHHTPJM-STQMWFEESA-N 1 0 414.503 0.909 20 0 HCADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 ZINC000498070680 1078364050 /nfs/dbraw/zinc/36/40/50/1078364050.db2.gz IGPCMXHEXHMSDN-CYBMUJFWSA-N 1 0 414.503 0.863 20 0 HCADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 ZINC000498070681 1078363978 /nfs/dbraw/zinc/36/39/78/1078363978.db2.gz IGPCMXHEXHMSDN-ZDUSSCGKSA-N 1 0 414.503 0.863 20 0 HCADRO COc1cccc([C@H](CNC(=O)c2cn(CCO)c(=O)[nH]c2=O)[NH+]2CCCC2)c1 ZINC000498071199 1078363967 /nfs/dbraw/zinc/36/39/67/1078363967.db2.gz FIRQJDWXXQAMEO-KRWDZBQOSA-N 1 0 402.451 0.517 20 0 HCADRO COc1cccc([C@@H](CNC(=O)c2cn(CCO)c(=O)[nH]c2=O)[NH+]2CCCC2)c1 ZINC000498071200 1078364021 /nfs/dbraw/zinc/36/40/21/1078364021.db2.gz FIRQJDWXXQAMEO-QGZVFWFLSA-N 1 0 402.451 0.517 20 0 HCADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cn(CCO)c(=O)[nH]c1=O ZINC000498072265 1078364088 /nfs/dbraw/zinc/36/40/88/1078364088.db2.gz ZWOJLIOZDZFMSD-UHFFFAOYSA-N 1 0 406.870 0.989 20 0 HCADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)C1=O ZINC000498072876 1078365164 /nfs/dbraw/zinc/36/51/64/1078365164.db2.gz XYIWPALHRCBPRF-UHFFFAOYSA-N 1 0 415.450 0.860 20 0 HCADRO C[NH+](C)CCOc1cc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)ccn1 ZINC000498077556 1078364703 /nfs/dbraw/zinc/36/47/03/1078364703.db2.gz DZCDHLZENBYHLZ-UHFFFAOYSA-N 1 0 403.527 0.792 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000498085496 1078366046 /nfs/dbraw/zinc/36/60/46/1078366046.db2.gz MOLXYNYTYUCHFC-INIZCTEOSA-N 1 0 403.483 0.690 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000498085502 1078366031 /nfs/dbraw/zinc/36/60/31/1078366031.db2.gz MOLXYNYTYUCHFC-MRXNPFEDSA-N 1 0 403.483 0.690 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)[C@@H]2C1 ZINC000498093506 1078367402 /nfs/dbraw/zinc/36/74/02/1078367402.db2.gz DADWRSMVGFWSDT-GDBMZVCRSA-N 1 0 409.508 0.679 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)[C@@H]2C1 ZINC000498093507 1078367499 /nfs/dbraw/zinc/36/74/99/1078367499.db2.gz DADWRSMVGFWSDT-GOEBONIOSA-N 1 0 409.508 0.679 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)[C@H]2C1 ZINC000498093508 1078367378 /nfs/dbraw/zinc/36/73/78/1078367378.db2.gz DADWRSMVGFWSDT-HOCLYGCPSA-N 1 0 409.508 0.679 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)[C@H]2C1 ZINC000498093509 1078367439 /nfs/dbraw/zinc/36/74/39/1078367439.db2.gz DADWRSMVGFWSDT-ZBFHGGJFSA-N 1 0 409.508 0.679 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000498094033 1078367176 /nfs/dbraw/zinc/36/71/76/1078367176.db2.gz HWWISNXUBDMIMH-PBHICJAKSA-N 1 0 408.524 0.219 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000498094035 1078367074 /nfs/dbraw/zinc/36/70/74/1078367074.db2.gz HWWISNXUBDMIMH-RHSMWYFYSA-N 1 0 408.524 0.219 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000498094036 1078367109 /nfs/dbraw/zinc/36/71/09/1078367109.db2.gz HWWISNXUBDMIMH-WMLDXEAASA-N 1 0 408.524 0.219 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000498094037 1078367235 /nfs/dbraw/zinc/36/72/35/1078367235.db2.gz HWWISNXUBDMIMH-YOEHRIQHSA-N 1 0 408.524 0.219 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000498094560 1078367487 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/nfs/dbraw/zinc/36/79/41/1078367941.db2.gz NKQLWAMQFJWKIT-YJBOKZPZSA-N 1 0 408.524 0.866 20 0 HCADRO CC1(C)NC(=O)N(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000498099966 1078366975 /nfs/dbraw/zinc/36/69/75/1078366975.db2.gz BGCMUGCSEUBLOP-UHFFFAOYSA-N 1 0 401.511 0.641 20 0 HCADRO O=C(CCC(=O)N1CCOCC1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000498100558 1078368226 /nfs/dbraw/zinc/36/82/26/1078368226.db2.gz FYOWKWMAZWYFRK-UHFFFAOYSA-N 1 0 402.539 0.950 20 0 HCADRO CN1CC(=O)N(CCCC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000498100672 1078368115 /nfs/dbraw/zinc/36/81/15/1078368115.db2.gz GUJPAZMQIIJJKK-UHFFFAOYSA-N 1 0 415.538 0.985 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)NCCCN1CC[NH+](Cc3ccccc3)CC1)c2=O ZINC000498102671 1078368354 /nfs/dbraw/zinc/36/83/54/1078368354.db2.gz VYMZSDBNDAKJRE-UHFFFAOYSA-N 1 0 423.521 0.454 20 0 HCADRO CN1C(=O)C(=O)N(CC(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1=O ZINC000498104141 1078368581 /nfs/dbraw/zinc/36/85/81/1078368581.db2.gz ZXBUXZPIRGDEJB-UHFFFAOYSA-N 1 0 415.450 0.860 20 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CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)CC1=O ZINC000498193206 1078393181 /nfs/dbraw/zinc/39/31/81/1078393181.db2.gz ISXZELJRZYJTLD-NVXWUHKLSA-N 1 0 415.494 0.173 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)CC1=O ZINC000498193207 1078393409 /nfs/dbraw/zinc/39/34/09/1078393409.db2.gz ISXZELJRZYJTLD-RDJZCZTQSA-N 1 0 415.494 0.173 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)CC1=O ZINC000498193208 1078393389 /nfs/dbraw/zinc/39/33/89/1078393389.db2.gz ISXZELJRZYJTLD-WBVHZDCISA-N 1 0 415.494 0.173 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2cnn(C)c2)c1 ZINC000498196299 1078394550 /nfs/dbraw/zinc/39/45/50/1078394550.db2.gz QQXHIEOERLRJPH-UHFFFAOYSA-N 1 0 400.483 0.998 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000498198127 1078394755 /nfs/dbraw/zinc/39/47/55/1078394755.db2.gz ITVHVSGFKHPZPM-UHFFFAOYSA-N 1 0 416.544 0.777 20 0 HCADRO 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ZINC000498252646 1078437313 /nfs/dbraw/zinc/43/73/13/1078437313.db2.gz INIJWEOGODZNGI-UHFFFAOYSA-N 1 0 424.505 0.792 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000498253979 1078438917 /nfs/dbraw/zinc/43/89/17/1078438917.db2.gz OWWROYMHSOFWIX-UHFFFAOYSA-N 1 0 423.564 0.638 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000498254684 1078439913 /nfs/dbraw/zinc/43/99/13/1078439913.db2.gz RLPYSBRLYQZCIR-KRWDZBQOSA-N 1 0 409.508 0.790 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000498254689 1078439927 /nfs/dbraw/zinc/43/99/27/1078439927.db2.gz RLPYSBRLYQZCIR-QGZVFWFLSA-N 1 0 409.508 0.790 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)Cn3nc4ccccn4c3=O)cc2)CC1 ZINC000498255056 1078439527 /nfs/dbraw/zinc/43/95/27/1078439527.db2.gz SUYYPFYVZFQIGJ-UHFFFAOYSA-N 1 0 410.478 0.761 20 0 HCADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000498255683 1078440853 /nfs/dbraw/zinc/44/08/53/1078440853.db2.gz XAIXDNBOAQVSQO-INIZCTEOSA-N 1 0 402.476 0.663 20 0 HCADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000498255684 1078440872 /nfs/dbraw/zinc/44/08/72/1078440872.db2.gz XAIXDNBOAQVSQO-MRXNPFEDSA-N 1 0 402.476 0.663 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000498256061 1078440523 /nfs/dbraw/zinc/44/05/23/1078440523.db2.gz YDAOFNOVPBOMLG-INIZCTEOSA-N 1 0 409.508 0.775 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000498256071 1078440527 /nfs/dbraw/zinc/44/05/27/1078440527.db2.gz YDAOFNOVPBOMLG-MRXNPFEDSA-N 1 0 409.508 0.775 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)ccc1F ZINC000498256470 1078440882 /nfs/dbraw/zinc/44/08/82/1078440882.db2.gz XTOFOYCAVZVYSJ-UHFFFAOYSA-N 1 0 400.476 0.615 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)OC)C2)c1 ZINC000498256661 1078441679 /nfs/dbraw/zinc/44/16/79/1078441679.db2.gz YWRVCLBUKCMAIY-INIZCTEOSA-N 1 0 420.466 0.306 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)OC)C2)c1 ZINC000498256662 1078441709 /nfs/dbraw/zinc/44/17/09/1078441709.db2.gz YWRVCLBUKCMAIY-MRXNPFEDSA-N 1 0 420.466 0.306 20 0 HCADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000498260122 1078445320 /nfs/dbraw/zinc/44/53/20/1078445320.db2.gz QTSYSNCFMFNXOA-DLBZAZTESA-N 1 0 403.531 0.593 20 0 HCADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000498260123 1078445289 /nfs/dbraw/zinc/44/52/89/1078445289.db2.gz QTSYSNCFMFNXOA-IAGOWNOFSA-N 1 0 403.531 0.593 20 0 HCADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000498260124 1078445266 /nfs/dbraw/zinc/44/52/66/1078445266.db2.gz QTSYSNCFMFNXOA-IRXDYDNUSA-N 1 0 403.531 0.593 20 0 HCADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000498260125 1078445357 /nfs/dbraw/zinc/44/53/57/1078445357.db2.gz QTSYSNCFMFNXOA-SJORKVTESA-N 1 0 403.531 0.593 20 0 HCADRO CN1C(=O)C(=O)N(CC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1=O ZINC000498262984 1078451290 /nfs/dbraw/zinc/45/12/90/1078451290.db2.gz VGKFXTCZDYQGSB-UHFFFAOYSA-N 1 0 415.494 0.121 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C[C@H]1C ZINC000498265421 1078451950 /nfs/dbraw/zinc/45/19/50/1078451950.db2.gz NNJUXPDMIULKOA-CABCVRRESA-N 1 0 412.560 0.697 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C[C@@H]1C ZINC000498265422 1078452028 /nfs/dbraw/zinc/45/20/28/1078452028.db2.gz NNJUXPDMIULKOA-GJZGRUSLSA-N 1 0 412.560 0.697 20 0 HCADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C[C@H]1C ZINC000498265423 1078452220 /nfs/dbraw/zinc/45/22/20/1078452220.db2.gz NNJUXPDMIULKOA-HUUCEWRRSA-N 1 0 412.560 0.697 20 0 HCADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C[C@@H]1C ZINC000498265424 1078452191 /nfs/dbraw/zinc/45/21/91/1078452191.db2.gz NNJUXPDMIULKOA-LSDHHAIUSA-N 1 0 412.560 0.697 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)CCCN2CC[NH+](C)CC2)s1 ZINC000498265682 1078452999 /nfs/dbraw/zinc/45/29/99/1078452999.db2.gz VBJANACWOYVTOZ-UHFFFAOYSA-N 1 0 417.601 0.614 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000498268918 1078447967 /nfs/dbraw/zinc/44/79/67/1078447967.db2.gz QKBMMGLTYMLUCE-UHFFFAOYSA-N 1 0 415.469 0.998 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000498269054 1078447997 /nfs/dbraw/zinc/44/79/97/1078447997.db2.gz YIWHXZMKESAIFV-UHFFFAOYSA-N 1 0 403.574 0.305 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498270502 1078448345 /nfs/dbraw/zinc/44/83/45/1078448345.db2.gz NVOZCWZLVMCMAK-IBGZPJMESA-N 1 0 401.515 0.528 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498270504 1078448391 /nfs/dbraw/zinc/44/83/91/1078448391.db2.gz NVOZCWZLVMCMAK-LJQANCHMSA-N 1 0 401.515 0.528 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(=O)n(-c3ccccc3F)n2)C1 ZINC000498270829 1078449226 /nfs/dbraw/zinc/44/92/26/1078449226.db2.gz QVGPJHPKIXYELE-AWEZNQCLSA-N 1 0 401.442 0.689 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(=O)n(-c3ccccc3F)n2)C1 ZINC000498270830 1078449219 /nfs/dbraw/zinc/44/92/19/1078449219.db2.gz QVGPJHPKIXYELE-CQSZACIVSA-N 1 0 401.442 0.689 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000498271683 1078448125 /nfs/dbraw/zinc/44/81/25/1078448125.db2.gz XYDIWHKMMXNULG-UHFFFAOYSA-N 1 0 424.567 0.383 20 0 HCADRO COc1ccccc1[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[NH+]1CCCCC1 ZINC000498271899 1078452153 /nfs/dbraw/zinc/45/21/53/1078452153.db2.gz JTELQWAMYRGUNE-HNNXBMFYSA-N 1 0 402.451 0.759 20 0 HCADRO COc1ccccc1[C@@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[NH+]1CCCCC1 ZINC000498271900 1078452409 /nfs/dbraw/zinc/45/24/09/1078452409.db2.gz JTELQWAMYRGUNE-OAHLLOKOSA-N 1 0 402.451 0.759 20 0 HCADRO CCNS(=O)(=O)c1ccc(CNC(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000498272325 1078449442 /nfs/dbraw/zinc/44/94/42/1078449442.db2.gz OWXPDGGTRIUEMG-UHFFFAOYSA-N 1 0 411.572 0.764 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1=O ZINC000498272466 1078449506 /nfs/dbraw/zinc/44/95/06/1078449506.db2.gz QRCXWNIEOVHGNN-PBHICJAKSA-N 1 0 402.499 0.433 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1=O ZINC000498272467 1078449626 /nfs/dbraw/zinc/44/96/26/1078449626.db2.gz QRCXWNIEOVHGNN-RHSMWYFYSA-N 1 0 402.499 0.433 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1=O ZINC000498272468 1078449539 /nfs/dbraw/zinc/44/95/39/1078449539.db2.gz QRCXWNIEOVHGNN-WMLDXEAASA-N 1 0 402.499 0.433 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1=O ZINC000498272469 1078449688 /nfs/dbraw/zinc/44/96/88/1078449688.db2.gz QRCXWNIEOVHGNN-YOEHRIQHSA-N 1 0 402.499 0.433 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000498273059 1078455442 /nfs/dbraw/zinc/45/54/42/1078455442.db2.gz XRAHNWBFBCQHDO-UHFFFAOYSA-N 1 0 400.520 0.878 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000498275079 1078456513 /nfs/dbraw/zinc/45/65/13/1078456513.db2.gz GKRODOCGOGDPBK-UHFFFAOYSA-N 1 0 414.547 0.980 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 ZINC000498276104 1078456783 /nfs/dbraw/zinc/45/67/83/1078456783.db2.gz LKKSZHQASZTPDX-INIZCTEOSA-N 1 0 404.511 0.810 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 ZINC000498276106 1078456873 /nfs/dbraw/zinc/45/68/73/1078456873.db2.gz LKKSZHQASZTPDX-MRXNPFEDSA-N 1 0 404.511 0.810 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000498277823 1078453685 /nfs/dbraw/zinc/45/36/85/1078453685.db2.gz UKGGVQCPVGKSSC-UHFFFAOYSA-N 1 0 417.601 0.648 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000498278388 1078457512 /nfs/dbraw/zinc/45/75/12/1078457512.db2.gz IOPQWAWGWZEZNU-INIZCTEOSA-N 1 0 414.572 0.971 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000498278389 1078457484 /nfs/dbraw/zinc/45/74/84/1078457484.db2.gz IOPQWAWGWZEZNU-MRXNPFEDSA-N 1 0 414.572 0.971 20 0 HCADRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000498278581 1078457254 /nfs/dbraw/zinc/45/72/54/1078457254.db2.gz WRXADCBBJODDFW-PMACEKPBSA-N 1 0 421.586 0.608 20 0 HCADRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000498278582 1078457237 /nfs/dbraw/zinc/45/72/37/1078457237.db2.gz WRXADCBBJODDFW-UXHICEINSA-N 1 0 421.586 0.608 20 0 HCADRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000498278583 1078457140 /nfs/dbraw/zinc/45/71/40/1078457140.db2.gz WRXADCBBJODDFW-VQTJNVASSA-N 1 0 421.586 0.608 20 0 HCADRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000498278584 1078457193 /nfs/dbraw/zinc/45/71/93/1078457193.db2.gz WRXADCBBJODDFW-WOJBJXKFSA-N 1 0 421.586 0.608 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 ZINC000498280222 1078454538 /nfs/dbraw/zinc/45/45/38/1078454538.db2.gz ZRCUPFWCMONVHI-INIZCTEOSA-N 1 0 414.597 0.963 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 ZINC000498280223 1078454622 /nfs/dbraw/zinc/45/46/22/1078454622.db2.gz ZRCUPFWCMONVHI-MRXNPFEDSA-N 1 0 414.597 0.963 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1=O ZINC000498280438 1078454219 /nfs/dbraw/zinc/45/42/19/1078454219.db2.gz BRQYAAYCXSBCIN-FGTMMUONSA-N 1 0 400.527 0.894 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1=O ZINC000498280439 1078454425 /nfs/dbraw/zinc/45/44/25/1078454425.db2.gz BRQYAAYCXSBCIN-KZNAEPCWSA-N 1 0 400.527 0.894 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1=O ZINC000498280440 1078454527 /nfs/dbraw/zinc/45/45/27/1078454527.db2.gz BRQYAAYCXSBCIN-OKZBNKHCSA-N 1 0 400.527 0.894 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1=O ZINC000498280441 1078454662 /nfs/dbraw/zinc/45/46/62/1078454662.db2.gz BRQYAAYCXSBCIN-RCCFBDPRSA-N 1 0 400.527 0.894 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000498281830 1078460967 /nfs/dbraw/zinc/46/09/67/1078460967.db2.gz HOAYMEUITOKRCO-UHFFFAOYSA-N 1 0 416.569 0.136 20 0 HCADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000498282559 1078460886 /nfs/dbraw/zinc/46/08/86/1078460886.db2.gz LESRVPSSGOTAMF-UHFFFAOYSA-N 1 0 409.508 0.821 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000498282930 1078457872 /nfs/dbraw/zinc/45/78/72/1078457872.db2.gz NXHUDIGEHAVCEA-UHFFFAOYSA-N 1 0 414.597 0.829 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC000498286692 1078459656 /nfs/dbraw/zinc/45/96/56/1078459656.db2.gz IAQZTQOPKXNUIA-UHFFFAOYSA-N 1 0 412.556 0.749 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)CC1 ZINC000498286718 1078459609 /nfs/dbraw/zinc/45/96/09/1078459609.db2.gz IKYYPWLTHRZHDO-SFHVURJKSA-N 1 0 414.547 0.882 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000498287225 1078459626 /nfs/dbraw/zinc/45/96/26/1078459626.db2.gz KAHXEIBHNLOXGG-IBGZPJMESA-N 1 0 408.568 0.902 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)NCCOC)ccc2C)CC1 ZINC000498287342 1078459594 /nfs/dbraw/zinc/45/95/94/1078459594.db2.gz LFAPXWYFEKAGGV-UHFFFAOYSA-N 1 0 412.556 0.287 20 0 HCADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000498288437 1078459870 /nfs/dbraw/zinc/45/98/70/1078459870.db2.gz ONLYTYKCNSKNDW-UHFFFAOYSA-N 1 0 406.508 0.164 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000498288465 1078459702 /nfs/dbraw/zinc/45/97/02/1078459702.db2.gz OZNXKPWVZVYVGR-UHFFFAOYSA-N 1 0 415.585 0.120 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000498288485 1078459713 /nfs/dbraw/zinc/45/97/13/1078459713.db2.gz PJJSGRBUKUQNAP-UHFFFAOYSA-N 1 0 410.540 0.503 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000498289188 1078460263 /nfs/dbraw/zinc/46/02/63/1078460263.db2.gz VTZCUDZWIBAVAY-UHFFFAOYSA-N 1 0 414.553 0.379 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000498289217 1078460304 /nfs/dbraw/zinc/46/03/04/1078460304.db2.gz WHOWVJQGJPNCKH-UHFFFAOYSA-N 1 0 410.540 0.075 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 ZINC000498291642 1078461985 /nfs/dbraw/zinc/46/19/85/1078461985.db2.gz RMTZXZYFIOAHMZ-UHFFFAOYSA-N 1 0 424.567 0.383 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000498294468 1078463605 /nfs/dbraw/zinc/46/36/05/1078463605.db2.gz NIGAVZPAZCFZQU-UHFFFAOYSA-N 1 0 400.570 0.900 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000498297466 1078461594 /nfs/dbraw/zinc/46/15/94/1078461594.db2.gz HZLHQAQZGUYXST-INIZCTEOSA-N 1 0 402.495 0.564 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000498297472 1078461608 /nfs/dbraw/zinc/46/16/08/1078461608.db2.gz HZLHQAQZGUYXST-MRXNPFEDSA-N 1 0 402.495 0.564 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000498297655 1078461283 /nfs/dbraw/zinc/46/12/83/1078461283.db2.gz JWFUSZDNYGRWOW-IBGZPJMESA-N 1 0 408.568 0.984 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000498297657 1078461271 /nfs/dbraw/zinc/46/12/71/1078461271.db2.gz JWFUSZDNYGRWOW-LJQANCHMSA-N 1 0 408.568 0.984 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000498298734 1078466372 /nfs/dbraw/zinc/46/63/72/1078466372.db2.gz WLFJKNLHFPCFRP-KRWDZBQOSA-N 1 0 402.495 0.774 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000498298741 1078466343 /nfs/dbraw/zinc/46/63/43/1078466343.db2.gz WLFJKNLHFPCFRP-QGZVFWFLSA-N 1 0 402.495 0.774 20 0 HCADRO CC(C)C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+](C)C ZINC000498298982 1078466748 /nfs/dbraw/zinc/46/67/48/1078466748.db2.gz ZHGPIHCTVBUINY-INIZCTEOSA-N 1 0 410.540 0.513 20 0 HCADRO CC(C)C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+](C)C ZINC000498298984 1078466713 /nfs/dbraw/zinc/46/67/13/1078466713.db2.gz ZHGPIHCTVBUINY-MRXNPFEDSA-N 1 0 410.540 0.513 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CC1=O ZINC000498299396 1078466760 /nfs/dbraw/zinc/46/67/60/1078466760.db2.gz PEEHMDNHDKNPHK-JENIJYKNSA-N 1 0 418.513 0.919 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CC1=O ZINC000498299397 1078466704 /nfs/dbraw/zinc/46/67/04/1078466704.db2.gz PEEHMDNHDKNPHK-YQVWRLOYSA-N 1 0 418.513 0.919 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1=O ZINC000498299398 1078466725 /nfs/dbraw/zinc/46/67/25/1078466725.db2.gz PEEHMDNHDKNPHK-ZHALLVOQSA-N 1 0 418.513 0.919 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1=O ZINC000498299399 1078466701 /nfs/dbraw/zinc/46/67/01/1078466701.db2.gz PEEHMDNHDKNPHK-ZIFCJYIRSA-N 1 0 418.513 0.919 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000498303571 1078464843 /nfs/dbraw/zinc/46/48/43/1078464843.db2.gz LFRZZMSRALLGOD-UHFFFAOYSA-N 1 0 424.567 0.847 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000498305042 1078475043 /nfs/dbraw/zinc/47/50/43/1078475043.db2.gz TUHBGVGBGJKHGR-UHFFFAOYSA-N 1 0 413.453 0.752 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000498305771 1078469028 /nfs/dbraw/zinc/46/90/28/1078469028.db2.gz XWXGKJYQAPAZGS-HNNXBMFYSA-N 1 0 400.570 0.655 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000498305772 1078468979 /nfs/dbraw/zinc/46/89/79/1078468979.db2.gz XWXGKJYQAPAZGS-OAHLLOKOSA-N 1 0 400.570 0.655 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 ZINC000498308241 1078470969 /nfs/dbraw/zinc/47/09/69/1078470969.db2.gz FFCORMKSIXBBTO-HOTGVXAUSA-N 1 0 413.522 0.886 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 ZINC000498308242 1078471022 /nfs/dbraw/zinc/47/10/22/1078471022.db2.gz FFCORMKSIXBBTO-HZPDHXFCSA-N 1 0 413.522 0.886 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 ZINC000498308243 1078471246 /nfs/dbraw/zinc/47/12/46/1078471246.db2.gz FFCORMKSIXBBTO-IYBDPMFKSA-N 1 0 413.522 0.886 20 0 HCADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000498319420 1078477240 /nfs/dbraw/zinc/47/72/40/1078477240.db2.gz MFGRTLBMUAEXLY-UHFFFAOYSA-N 1 0 417.620 0.716 20 0 HCADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000498326484 1078497721 /nfs/dbraw/zinc/49/77/21/1078497721.db2.gz QWEHPAAKGIPSMU-GOSISDBHSA-N 1 0 401.515 0.844 20 0 HCADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000498326487 1078497874 /nfs/dbraw/zinc/49/78/74/1078497874.db2.gz QWEHPAAKGIPSMU-SFHVURJKSA-N 1 0 401.515 0.844 20 0 HCADRO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000498329307 1078505253 /nfs/dbraw/zinc/50/52/53/1078505253.db2.gz IQMNATZIJLPXGB-HNNXBMFYSA-N 1 0 413.540 0.931 20 0 HCADRO C[NH+](C)CCOC1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000498329464 1078505486 /nfs/dbraw/zinc/50/54/86/1078505486.db2.gz JGOGFORXVHYSIB-UHFFFAOYSA-N 1 0 420.495 0.281 20 0 HCADRO C[NH+](C)CCOC1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000498330996 1078508024 /nfs/dbraw/zinc/50/80/24/1078508024.db2.gz YJVMMGXBVXZQLG-IBGZPJMESA-N 1 0 410.559 0.269 20 0 HCADRO C[NH+](C)CCOC1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000498330997 1078508235 /nfs/dbraw/zinc/50/82/35/1078508235.db2.gz YJVMMGXBVXZQLG-LJQANCHMSA-N 1 0 410.559 0.269 20 0 HCADRO C[NH+](C)CCOC1CCN(C(=O)CNC(=O)c2cnc3ccccc3c2O)CC1 ZINC000498337235 1078525457 /nfs/dbraw/zinc/52/54/57/1078525457.db2.gz UVZZNCVOVIUONX-UHFFFAOYSA-N 1 0 400.479 0.827 20 0 HCADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000498337971 1078526794 /nfs/dbraw/zinc/52/67/94/1078526794.db2.gz WNGOTYVUCVIIMJ-UHFFFAOYSA-N 1 0 416.526 0.947 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCCC[NH+](C)C)c2)CC1 ZINC000498343499 1078521134 /nfs/dbraw/zinc/52/11/34/1078521134.db2.gz GVOHWOHXQQFAOG-UHFFFAOYSA-N 1 0 410.540 0.611 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCCC[NH+](C)C)cc2)CC1 ZINC000498347066 1078535051 /nfs/dbraw/zinc/53/50/51/1078535051.db2.gz USCLZIPXARFWIC-UHFFFAOYSA-N 1 0 410.540 0.611 20 0 HCADRO COc1ccc(CC(=O)NCCCC[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000498353525 1078531389 /nfs/dbraw/zinc/53/13/89/1078531389.db2.gz JQVNXMNIHKXXIV-UHFFFAOYSA-N 1 0 413.540 0.717 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000498355160 1078541499 /nfs/dbraw/zinc/54/14/99/1078541499.db2.gz UFISMHYLXAXBJY-JSGCOSHPSA-N 1 0 401.533 0.100 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000498355164 1078541365 /nfs/dbraw/zinc/54/13/65/1078541365.db2.gz UFISMHYLXAXBJY-OCCSQVGLSA-N 1 0 401.533 0.100 20 0 HCADRO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000498355316 1078540745 /nfs/dbraw/zinc/54/07/45/1078540745.db2.gz TZWRKQWJKATEMR-CVEARBPZSA-N 1 0 422.551 0.657 20 0 HCADRO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000498355321 1078541478 /nfs/dbraw/zinc/54/14/78/1078541478.db2.gz TZWRKQWJKATEMR-HOTGVXAUSA-N 1 0 422.551 0.657 20 0 HCADRO C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000498355324 1078541196 /nfs/dbraw/zinc/54/11/96/1078541196.db2.gz TZWRKQWJKATEMR-HZPDHXFCSA-N 1 0 422.551 0.657 20 0 HCADRO C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000498355325 1078541391 /nfs/dbraw/zinc/54/13/91/1078541391.db2.gz TZWRKQWJKATEMR-JKSUJKDBSA-N 1 0 422.551 0.657 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000498360158 1078538935 /nfs/dbraw/zinc/53/89/35/1078538935.db2.gz XHZTWSILOXIAIW-UHFFFAOYSA-N 1 0 401.511 0.771 20 0 HCADRO CC(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[NH+]1CCC(C)CC1 ZINC000498364922 1078550727 /nfs/dbraw/zinc/55/07/27/1078550727.db2.gz QGFRIJWGXTWBLV-FGTMMUONSA-N 1 0 413.584 0.895 20 0 HCADRO CC(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[NH+]1CCC(C)CC1 ZINC000498364924 1078550657 /nfs/dbraw/zinc/55/06/57/1078550657.db2.gz QGFRIJWGXTWBLV-KZNAEPCWSA-N 1 0 413.584 0.895 20 0 HCADRO CC(C)[C@@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[NH+]1CCC(C)CC1 ZINC000498364926 1078550860 /nfs/dbraw/zinc/55/08/60/1078550860.db2.gz QGFRIJWGXTWBLV-OKZBNKHCSA-N 1 0 413.584 0.895 20 0 HCADRO CC(C)[C@@H](CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[NH+]1CCC(C)CC1 ZINC000498364928 1078550740 /nfs/dbraw/zinc/55/07/40/1078550740.db2.gz QGFRIJWGXTWBLV-RCCFBDPRSA-N 1 0 413.584 0.895 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498365279 1078550289 /nfs/dbraw/zinc/55/02/89/1078550289.db2.gz RKDRIVIABKBGHZ-JXFKEZNVSA-N 1 0 415.542 0.916 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498365281 1078550232 /nfs/dbraw/zinc/55/02/32/1078550232.db2.gz RKDRIVIABKBGHZ-OXJNMPFZSA-N 1 0 415.542 0.916 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498365282 1078550191 /nfs/dbraw/zinc/55/01/91/1078550191.db2.gz RKDRIVIABKBGHZ-OXQOHEQNSA-N 1 0 415.542 0.916 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498365283 1078550261 /nfs/dbraw/zinc/55/02/61/1078550261.db2.gz RKDRIVIABKBGHZ-UZLBHIALSA-N 1 0 415.542 0.916 20 0 HCADRO C[NH+](C)CCCN(C(=O)C1CCN(c2cnccn2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000498366154 1078551248 /nfs/dbraw/zinc/55/12/48/1078551248.db2.gz VMNILYGDQZJFNP-KRWDZBQOSA-N 1 0 409.556 0.660 20 0 HCADRO C[NH+](C)CCCN(C(=O)C1CCN(c2cnccn2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000498366159 1078551319 /nfs/dbraw/zinc/55/13/19/1078551319.db2.gz VMNILYGDQZJFNP-QGZVFWFLSA-N 1 0 409.556 0.660 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000498366440 1078550762 /nfs/dbraw/zinc/55/07/62/1078550762.db2.gz IBAWHUWEAVXLIZ-UHFFFAOYSA-N 1 0 414.528 0.627 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1 ZINC000498366716 1078550822 /nfs/dbraw/zinc/55/08/22/1078550822.db2.gz YOWPVTGHUQJEAX-CABCVRRESA-N 1 0 400.520 0.635 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1 ZINC000498366717 1078550710 /nfs/dbraw/zinc/55/07/10/1078550710.db2.gz YOWPVTGHUQJEAX-GJZGRUSLSA-N 1 0 400.520 0.635 20 0 HCADRO CC[NH+](CC)CCCCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000498367564 1078543827 /nfs/dbraw/zinc/54/38/27/1078543827.db2.gz NSROEKXSWMCULS-UHFFFAOYSA-N 1 0 410.540 0.659 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCCC[NH+](C)C)c1 ZINC000498367944 1078545803 /nfs/dbraw/zinc/54/58/03/1078545803.db2.gz RWYRCSGHZHXYCV-UHFFFAOYSA-N 1 0 412.556 0.845 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000498372115 1078548799 /nfs/dbraw/zinc/54/87/99/1078548799.db2.gz HYCQERUXEJREGJ-HNNXBMFYSA-N 1 0 424.567 0.892 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000498372116 1078548777 /nfs/dbraw/zinc/54/87/77/1078548777.db2.gz HYCQERUXEJREGJ-OAHLLOKOSA-N 1 0 424.567 0.892 20 0 HCADRO C[NH+](C)CCn1ncc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1-c1ccccc1 ZINC000498373663 1078549374 /nfs/dbraw/zinc/54/93/74/1078549374.db2.gz CNCPONNWSCPVGC-UHFFFAOYSA-N 1 0 406.512 0.073 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)CC1=O ZINC000498377480 1078554109 /nfs/dbraw/zinc/55/41/09/1078554109.db2.gz MSRGMJVXWMVVSK-DLBZAZTESA-N 1 0 404.515 0.355 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)CC1=O ZINC000498377484 1078554000 /nfs/dbraw/zinc/55/40/00/1078554000.db2.gz MSRGMJVXWMVVSK-IAGOWNOFSA-N 1 0 404.515 0.355 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)CC1=O ZINC000498377487 1078554031 /nfs/dbraw/zinc/55/40/31/1078554031.db2.gz MSRGMJVXWMVVSK-IRXDYDNUSA-N 1 0 404.515 0.355 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)CC1=O ZINC000498377488 1078554140 /nfs/dbraw/zinc/55/41/40/1078554140.db2.gz MSRGMJVXWMVVSK-SJORKVTESA-N 1 0 404.515 0.355 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000498377762 1078553496 /nfs/dbraw/zinc/55/34/96/1078553496.db2.gz NTRJGSVJPOXYMO-KRWDZBQOSA-N 1 0 402.561 0.409 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000498377764 1078553658 /nfs/dbraw/zinc/55/36/58/1078553658.db2.gz NTRJGSVJPOXYMO-QGZVFWFLSA-N 1 0 402.561 0.409 20 0 HCADRO CCc1nc(CN2CCN(C(=O)[C@H]3CC(=O)N(C[C@H]4CCC[N@H+]4CC)C3)CC2)no1 ZINC000498382294 1078557886 /nfs/dbraw/zinc/55/78/86/1078557886.db2.gz BXQRXKFRXOXSEK-DLBZAZTESA-N 1 0 418.542 0.609 20 0 HCADRO CCc1nc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C[C@H]4CCC[N@H+]4CC)C3)CC2)no1 ZINC000498382295 1078557785 /nfs/dbraw/zinc/55/77/85/1078557785.db2.gz BXQRXKFRXOXSEK-IAGOWNOFSA-N 1 0 418.542 0.609 20 0 HCADRO CCc1nc(CN2CCN(C(=O)[C@H]3CC(=O)N(C[C@@H]4CCC[N@H+]4CC)C3)CC2)no1 ZINC000498382296 1078557841 /nfs/dbraw/zinc/55/78/41/1078557841.db2.gz BXQRXKFRXOXSEK-IRXDYDNUSA-N 1 0 418.542 0.609 20 0 HCADRO CCc1nc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C[C@@H]4CCC[N@H+]4CC)C3)CC2)no1 ZINC000498382297 1078557944 /nfs/dbraw/zinc/55/79/44/1078557944.db2.gz BXQRXKFRXOXSEK-SJORKVTESA-N 1 0 418.542 0.609 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000498384852 1078559955 /nfs/dbraw/zinc/55/99/55/1078559955.db2.gz FSHIACSJNWAUEO-AWEZNQCLSA-N 1 0 409.512 0.944 20 0 HCADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCc3ccnc4ccnn43)CC2)C1 ZINC000498390470 1078562252 /nfs/dbraw/zinc/56/22/52/1078562252.db2.gz UGLDKTXWJCBFMR-GOSISDBHSA-N 1 0 401.515 0.666 20 0 HCADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCc3ccnc4ccnn43)CC2)C1 ZINC000498390475 1078562389 /nfs/dbraw/zinc/56/23/89/1078562389.db2.gz UGLDKTXWJCBFMR-SFHVURJKSA-N 1 0 401.515 0.666 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000498395944 1078567533 /nfs/dbraw/zinc/56/75/33/1078567533.db2.gz GIPYLNKFKMAFEG-MHORFTMASA-N 1 0 413.584 0.896 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000498395947 1078567450 /nfs/dbraw/zinc/56/74/50/1078567450.db2.gz GIPYLNKFKMAFEG-XDNAFOTISA-N 1 0 413.584 0.896 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000498395949 1078567566 /nfs/dbraw/zinc/56/75/66/1078567566.db2.gz GIPYLNKFKMAFEG-XWTMOSNGSA-N 1 0 413.584 0.896 20 0 HCADRO CN1C(=O)C(=O)N(CC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC000498402693 1078572202 /nfs/dbraw/zinc/57/22/02/1078572202.db2.gz QYBWLKNMNRAKSC-UHFFFAOYSA-N 1 0 421.885 0.389 20 0 HCADRO CN1CCC(CNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)([NH+]2CCCCC2)CC1 ZINC000498404509 1078575654 /nfs/dbraw/zinc/57/56/54/1078575654.db2.gz QBIIILKLZFHWJC-UHFFFAOYSA-N 1 0 420.558 0.757 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)CCCN3C(=O)CN(C)C3=O)cn2)CC1 ZINC000498405863 1078576838 /nfs/dbraw/zinc/57/68/38/1078576838.db2.gz JVHSJYRBVLPPKC-UHFFFAOYSA-N 1 0 402.499 0.514 20 0 HCADRO Cn1cc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(=O)[nH]c1=O ZINC000498412288 1078574427 /nfs/dbraw/zinc/57/44/27/1078574427.db2.gz XLCHDCDRQYDIBV-INIZCTEOSA-N 1 0 412.494 0.555 20 0 HCADRO Cn1cc(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(=O)[nH]c1=O ZINC000498412289 1078574565 /nfs/dbraw/zinc/57/45/65/1078574565.db2.gz XLCHDCDRQYDIBV-MRXNPFEDSA-N 1 0 412.494 0.555 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CSc1nnnn1CC(F)(F)F ZINC000498415610 1078583040 /nfs/dbraw/zinc/58/30/40/1078583040.db2.gz YMPLLVIHVAQJPZ-UHFFFAOYSA-N 1 0 409.482 0.812 20 0 HCADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000498419923 1078578983 /nfs/dbraw/zinc/57/89/83/1078578983.db2.gz DZOQOEMWHFDXIH-IBGZPJMESA-N 1 0 414.558 0.759 20 0 HCADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000498419925 1078579217 /nfs/dbraw/zinc/57/92/17/1078579217.db2.gz DZOQOEMWHFDXIH-LJQANCHMSA-N 1 0 414.558 0.759 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000498421034 1078579980 /nfs/dbraw/zinc/57/99/80/1078579980.db2.gz DVGVDMFZSUNQPK-FQEVSTJZSA-N 1 0 423.602 0.184 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000498421714 1078579872 /nfs/dbraw/zinc/57/98/72/1078579872.db2.gz JURDZDXCXKEBQB-UHFFFAOYSA-N 1 0 414.558 0.825 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)CC1 ZINC000498422446 1078580278 /nfs/dbraw/zinc/58/02/78/1078580278.db2.gz JOGJXPDQBPXTHL-HNNXBMFYSA-N 1 0 401.511 0.713 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)CC1 ZINC000498422447 1078580446 /nfs/dbraw/zinc/58/04/46/1078580446.db2.gz JOGJXPDQBPXTHL-OAHLLOKOSA-N 1 0 401.511 0.713 20 0 HCADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000498424202 1078588154 /nfs/dbraw/zinc/58/81/54/1078588154.db2.gz RQDYMYPSCONUQS-HKUYNNGSSA-N 1 0 414.558 0.665 20 0 HCADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000498424208 1078588181 /nfs/dbraw/zinc/58/81/81/1078588181.db2.gz RQDYMYPSCONUQS-IEBWSBKVSA-N 1 0 414.558 0.665 20 0 HCADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000498424210 1078588708 /nfs/dbraw/zinc/58/87/08/1078588708.db2.gz RQDYMYPSCONUQS-MJGOQNOKSA-N 1 0 414.558 0.665 20 0 HCADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000498424211 1078588939 /nfs/dbraw/zinc/58/89/39/1078588939.db2.gz RQDYMYPSCONUQS-PKOBYXMFSA-N 1 0 414.558 0.665 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000498426332 1078591187 /nfs/dbraw/zinc/59/11/87/1078591187.db2.gz SOLMBOZQJCVTMN-PMACEKPBSA-N 1 0 423.602 0.090 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000498426333 1078591156 /nfs/dbraw/zinc/59/11/56/1078591156.db2.gz SOLMBOZQJCVTMN-UXHICEINSA-N 1 0 423.602 0.090 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000498426334 1078591109 /nfs/dbraw/zinc/59/11/09/1078591109.db2.gz SOLMBOZQJCVTMN-VQTJNVASSA-N 1 0 423.602 0.090 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000498426335 1078591255 /nfs/dbraw/zinc/59/12/55/1078591255.db2.gz SOLMBOZQJCVTMN-WOJBJXKFSA-N 1 0 423.602 0.090 20 0 HCADRO COc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1Oc1ccc(C)nn1 ZINC000498426933 1078592393 /nfs/dbraw/zinc/59/23/93/1078592393.db2.gz BCWSMHATYODHSY-FQEVSTJZSA-N 1 0 417.466 0.953 20 0 HCADRO COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1Oc1ccc(C)nn1 ZINC000498426934 1078592404 /nfs/dbraw/zinc/59/24/04/1078592404.db2.gz BCWSMHATYODHSY-HXUWFJFHSA-N 1 0 417.466 0.953 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)ccc1S(C)(=O)=O ZINC000498427068 1078594043 /nfs/dbraw/zinc/59/40/43/1078594043.db2.gz DGEYXHTWMAGDMK-UHFFFAOYSA-N 1 0 411.524 0.689 20 0 HCADRO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1S(C)(=O)=O ZINC000498428652 1078594118 /nfs/dbraw/zinc/59/41/18/1078594118.db2.gz FXFBHDDMDRAVKW-INIZCTEOSA-N 1 0 411.524 0.906 20 0 HCADRO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)ccc1S(C)(=O)=O ZINC000498428654 1078593911 /nfs/dbraw/zinc/59/39/11/1078593911.db2.gz FXFBHDDMDRAVKW-MRXNPFEDSA-N 1 0 411.524 0.906 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)ccc1S(C)(=O)=O ZINC000498430011 1078586319 /nfs/dbraw/zinc/58/63/19/1078586319.db2.gz XYPIIKBOMLOJHM-UHFFFAOYSA-N 1 0 423.535 0.908 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cccnc2OCC(F)F)CC1 ZINC000498430018 1078586276 /nfs/dbraw/zinc/58/62/76/1078586276.db2.gz LMNGMUDDZVQAKI-UHFFFAOYSA-N 1 0 400.426 0.969 20 0 HCADRO COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000498431106 1078601556 /nfs/dbraw/zinc/60/15/56/1078601556.db2.gz RRIYHALUEVTZKZ-GOSISDBHSA-N 1 0 420.510 0.953 20 0 HCADRO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000498431107 1078601754 /nfs/dbraw/zinc/60/17/54/1078601754.db2.gz RRIYHALUEVTZKZ-SFHVURJKSA-N 1 0 420.510 0.953 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1S(C)(=O)=O ZINC000498431169 1078601634 /nfs/dbraw/zinc/60/16/34/1078601634.db2.gz SFOXXGAYSXKZBF-INIZCTEOSA-N 1 0 411.524 0.810 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000498431200 1078602455 /nfs/dbraw/zinc/60/24/55/1078602455.db2.gz UBIZMGIIBLPYEO-UHFFFAOYSA-N 1 0 416.569 0.594 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1S(C)(=O)=O ZINC000498431358 1078601934 /nfs/dbraw/zinc/60/19/34/1078601934.db2.gz VDWLEKIJFYKSRL-HNNXBMFYSA-N 1 0 409.508 0.518 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498431626 1078587004 /nfs/dbraw/zinc/58/70/04/1078587004.db2.gz XBTITCINNAFTDB-HNNXBMFYSA-N 1 0 424.567 0.727 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498431631 1078587129 /nfs/dbraw/zinc/58/71/29/1078587129.db2.gz XBTITCINNAFTDB-OAHLLOKOSA-N 1 0 424.567 0.727 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000498433386 1078603802 /nfs/dbraw/zinc/60/38/02/1078603802.db2.gz CCUVPTKLFVSHJE-UHFFFAOYSA-N 1 0 407.540 0.836 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000498433916 1078605213 /nfs/dbraw/zinc/60/52/13/1078605213.db2.gz OQFAKSXLQYAQJF-INIZCTEOSA-N 1 0 401.511 0.742 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000498433918 1078605287 /nfs/dbraw/zinc/60/52/87/1078605287.db2.gz OQFAKSXLQYAQJF-MRXNPFEDSA-N 1 0 401.511 0.742 20 0 HCADRO CNC(=O)COc1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1OC ZINC000498434333 1078605237 /nfs/dbraw/zinc/60/52/37/1078605237.db2.gz HVZABNNLNMWMGL-UHFFFAOYSA-N 1 0 406.527 0.918 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CNC(=O)c2cnc3ccccc3c2O)CC1 ZINC000498434605 1078604262 /nfs/dbraw/zinc/60/42/62/1078604262.db2.gz IOEUZLTUCMRFOG-INIZCTEOSA-N 1 0 413.522 0.648 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CNC(=O)c2cnc3ccccc3c2O)CC1 ZINC000498434606 1078604317 /nfs/dbraw/zinc/60/43/17/1078604317.db2.gz IOEUZLTUCMRFOG-MRXNPFEDSA-N 1 0 413.522 0.648 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000498435504 1078605490 /nfs/dbraw/zinc/60/54/90/1078605490.db2.gz MASMUVCRKQLITA-CABCVRRESA-N 1 0 402.586 0.805 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000498435512 1078605848 /nfs/dbraw/zinc/60/58/48/1078605848.db2.gz MASMUVCRKQLITA-GJZGRUSLSA-N 1 0 402.586 0.805 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000498435514 1078605627 /nfs/dbraw/zinc/60/56/27/1078605627.db2.gz MASMUVCRKQLITA-HUUCEWRRSA-N 1 0 402.586 0.805 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000498435516 1078605744 /nfs/dbraw/zinc/60/57/44/1078605744.db2.gz MASMUVCRKQLITA-LSDHHAIUSA-N 1 0 402.586 0.805 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000498435572 1078605695 /nfs/dbraw/zinc/60/56/95/1078605695.db2.gz OWPQBZVQDATMTR-INIZCTEOSA-N 1 0 414.547 0.884 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000498435574 1078605301 /nfs/dbraw/zinc/60/53/01/1078605301.db2.gz OWPQBZVQDATMTR-MRXNPFEDSA-N 1 0 414.547 0.884 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000498436305 1078595777 /nfs/dbraw/zinc/59/57/77/1078595777.db2.gz UINXPDKTKOXJAL-INIZCTEOSA-N 1 0 401.511 0.882 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000498436306 1078595904 /nfs/dbraw/zinc/59/59/04/1078595904.db2.gz UINXPDKTKOXJAL-MRXNPFEDSA-N 1 0 401.511 0.882 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(OCC(=O)NC)c(OC)c2)CC1 ZINC000498436336 1078595956 /nfs/dbraw/zinc/59/59/56/1078595956.db2.gz UUMYMLDZYCJNLD-INIZCTEOSA-N 1 0 406.527 0.823 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(OCC(=O)NC)c(OC)c2)CC1 ZINC000498436337 1078595724 /nfs/dbraw/zinc/59/57/24/1078595724.db2.gz UUMYMLDZYCJNLD-MRXNPFEDSA-N 1 0 406.527 0.823 20 0 HCADRO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H](C)C[NH+]3CCN(CC)CC3)cnc21 ZINC000498436744 1078595976 /nfs/dbraw/zinc/59/59/76/1078595976.db2.gz XWPNIMWSMFGOBV-HNNXBMFYSA-N 1 0 416.526 0.911 20 0 HCADRO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@H](C)C[NH+]3CCN(CC)CC3)cnc21 ZINC000498436745 1078595654 /nfs/dbraw/zinc/59/56/54/1078595654.db2.gz XWPNIMWSMFGOBV-OAHLLOKOSA-N 1 0 416.526 0.911 20 0 HCADRO COC[C@H](O)CCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000498438253 1078597772 /nfs/dbraw/zinc/59/77/72/1078597772.db2.gz CVMZMQNPGXRPJC-GOSISDBHSA-N 1 0 420.510 0.953 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000498438984 1078599079 /nfs/dbraw/zinc/59/90/79/1078599079.db2.gz JLBKATSGXQIXDW-INIZCTEOSA-N 1 0 401.511 0.882 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000498438985 1078598915 /nfs/dbraw/zinc/59/89/15/1078598915.db2.gz JLBKATSGXQIXDW-MRXNPFEDSA-N 1 0 401.511 0.882 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC000498439986 1078599724 /nfs/dbraw/zinc/59/97/24/1078599724.db2.gz MFLSPYKIQPCRSY-INIZCTEOSA-N 1 0 401.511 0.848 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC000498439987 1078599531 /nfs/dbraw/zinc/59/95/31/1078599531.db2.gz MFLSPYKIQPCRSY-MRXNPFEDSA-N 1 0 401.511 0.848 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 ZINC000498440329 1078599550 /nfs/dbraw/zinc/59/95/50/1078599550.db2.gz GOJYZFFVKSJVNR-UHFFFAOYSA-N 1 0 408.462 0.332 20 0 HCADRO O=C(Nc1cccnc1OCC(F)F)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000498441156 1078608583 /nfs/dbraw/zinc/60/85/83/1078608583.db2.gz AMIMHWYSQWHSES-UHFFFAOYSA-N 1 0 411.453 0.904 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498441252 1078608033 /nfs/dbraw/zinc/60/80/33/1078608033.db2.gz AZMHMRLYAYXFBW-UHFFFAOYSA-N 1 0 410.540 0.481 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)ccc1S(C)(=O)=O ZINC000498441933 1078609373 /nfs/dbraw/zinc/60/93/73/1078609373.db2.gz HKEOCOOWAOEQJQ-UHFFFAOYSA-N 1 0 410.540 0.479 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1S(C)(=O)=O ZINC000498441937 1078609623 /nfs/dbraw/zinc/60/96/23/1078609623.db2.gz JWZIYGHVAXFGTM-GASCZTMLSA-N 1 0 411.524 0.953 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1S(C)(=O)=O ZINC000498441938 1078609242 /nfs/dbraw/zinc/60/92/42/1078609242.db2.gz JWZIYGHVAXFGTM-GJZGRUSLSA-N 1 0 411.524 0.953 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1S(C)(=O)=O ZINC000498441941 1078609279 /nfs/dbraw/zinc/60/92/79/1078609279.db2.gz JWZIYGHVAXFGTM-HUUCEWRRSA-N 1 0 411.524 0.953 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000498444542 1078611296 /nfs/dbraw/zinc/61/12/96/1078611296.db2.gz OTQROUCYJXSORT-HNNXBMFYSA-N 1 0 419.573 0.193 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000498444543 1078611562 /nfs/dbraw/zinc/61/15/62/1078611562.db2.gz OTQROUCYJXSORT-OAHLLOKOSA-N 1 0 419.573 0.193 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498444593 1078611194 /nfs/dbraw/zinc/61/11/94/1078611194.db2.gz SYXGODOBNVVRPB-HNNXBMFYSA-N 1 0 410.540 0.479 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498444594 1078611260 /nfs/dbraw/zinc/61/12/60/1078611260.db2.gz SYXGODOBNVVRPB-OAHLLOKOSA-N 1 0 410.540 0.479 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1S(C)(=O)=O ZINC000498447852 1078616635 /nfs/dbraw/zinc/61/66/35/1078616635.db2.gz GDAYIZVXMQZTPV-UHFFFAOYSA-N 1 0 423.535 0.908 20 0 HCADRO CC(C)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)[NH+]1CCN(C)CC1 ZINC000498450470 1078618663 /nfs/dbraw/zinc/61/86/63/1078618663.db2.gz DAIVCKQZCJEIEP-CABCVRRESA-N 1 0 402.586 0.803 20 0 HCADRO CC(C)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1)[NH+]1CCN(C)CC1 ZINC000498450471 1078618571 /nfs/dbraw/zinc/61/85/71/1078618571.db2.gz DAIVCKQZCJEIEP-GJZGRUSLSA-N 1 0 402.586 0.803 20 0 HCADRO CC(C)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)[NH+]1CCN(C)CC1 ZINC000498450472 1078618619 /nfs/dbraw/zinc/61/86/19/1078618619.db2.gz DAIVCKQZCJEIEP-HUUCEWRRSA-N 1 0 402.586 0.803 20 0 HCADRO CC(C)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1)[NH+]1CCN(C)CC1 ZINC000498450473 1078618717 /nfs/dbraw/zinc/61/87/17/1078618717.db2.gz DAIVCKQZCJEIEP-LSDHHAIUSA-N 1 0 402.586 0.803 20 0 HCADRO CC(C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)[NH+]1CCN(C)CC1 ZINC000498451259 1078607224 /nfs/dbraw/zinc/60/72/24/1078607224.db2.gz IMVULNVDGUQWRE-GOSISDBHSA-N 1 0 414.547 0.882 20 0 HCADRO CC(C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)[NH+]1CCN(C)CC1 ZINC000498451261 1078607238 /nfs/dbraw/zinc/60/72/38/1078607238.db2.gz IMVULNVDGUQWRE-SFHVURJKSA-N 1 0 414.547 0.882 20 0 HCADRO COC(=O)c1c(C)csc1NC(=O)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000498451485 1078606637 /nfs/dbraw/zinc/60/66/37/1078606637.db2.gz JBDSMLLVIHVQKQ-UHFFFAOYSA-N 1 0 424.523 0.698 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000498452727 1078607145 /nfs/dbraw/zinc/60/71/45/1078607145.db2.gz YERICLZPUKAJGI-KRWDZBQOSA-N 1 0 424.567 0.725 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000498452728 1078607246 /nfs/dbraw/zinc/60/72/46/1078607246.db2.gz YERICLZPUKAJGI-QGZVFWFLSA-N 1 0 424.567 0.725 20 0 HCADRO CC(C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccccc1F)[NH+]1CCN(C)CC1 ZINC000498453741 1078608149 /nfs/dbraw/zinc/60/81/49/1078608149.db2.gz OVNZTOJGQWKPAV-KRWDZBQOSA-N 1 0 414.547 0.882 20 0 HCADRO CC(C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccccc1F)[NH+]1CCN(C)CC1 ZINC000498453742 1078608190 /nfs/dbraw/zinc/60/81/90/1078608190.db2.gz OVNZTOJGQWKPAV-QGZVFWFLSA-N 1 0 414.547 0.882 20 0 HCADRO CCS(=O)(=O)NCCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000498453789 1078608167 /nfs/dbraw/zinc/60/81/67/1078608167.db2.gz JTYJQMNQJAFWCB-UHFFFAOYSA-N 1 0 407.562 0.099 20 0 HCADRO CC(=O)c1cc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1F ZINC000498453841 1078608080 /nfs/dbraw/zinc/60/80/80/1078608080.db2.gz SCXAYEHHCKHMSD-UHFFFAOYSA-N 1 0 406.458 0.883 20 0 HCADRO CNC(=O)COc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1OC ZINC000498453927 1078620293 /nfs/dbraw/zinc/62/02/93/1078620293.db2.gz SRMKWOFKSLBFKF-KRWDZBQOSA-N 1 0 406.527 0.822 20 0 HCADRO CNC(=O)COc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1OC ZINC000498453928 1078619971 /nfs/dbraw/zinc/61/99/71/1078619971.db2.gz SRMKWOFKSLBFKF-QGZVFWFLSA-N 1 0 406.527 0.822 20 0 HCADRO CCn1c2ccc(C(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)cc2[nH]c(=O)c1=O ZINC000498455241 1078620169 /nfs/dbraw/zinc/62/01/69/1078620169.db2.gz UXXAGLXLPPQAOO-GOSISDBHSA-N 1 0 401.511 0.712 20 0 HCADRO CCn1c2ccc(C(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)cc2[nH]c(=O)c1=O ZINC000498455242 1078619926 /nfs/dbraw/zinc/61/99/26/1078619926.db2.gz UXXAGLXLPPQAOO-SFHVURJKSA-N 1 0 401.511 0.712 20 0 HCADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000498455768 1078620039 /nfs/dbraw/zinc/62/00/39/1078620039.db2.gz XSDJLRMMEWWZDK-MOPGFXCFSA-N 1 0 414.558 0.663 20 0 HCADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000498455904 1078621657 /nfs/dbraw/zinc/62/16/57/1078621657.db2.gz XSDJLRMMEWWZDK-OALUTQOASA-N 1 0 414.558 0.663 20 0 HCADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000498455905 1078621507 /nfs/dbraw/zinc/62/15/07/1078621507.db2.gz XSDJLRMMEWWZDK-RBUKOAKNSA-N 1 0 414.558 0.663 20 0 HCADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000498455906 1078621397 /nfs/dbraw/zinc/62/13/97/1078621397.db2.gz XSDJLRMMEWWZDK-RTBURBONSA-N 1 0 414.558 0.663 20 0 HCADRO CC(C)[C@@H](CNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)[NH+]1CCN(C)CC1 ZINC000498456194 1078621680 /nfs/dbraw/zinc/62/16/80/1078621680.db2.gz AMSKLTZNTLNERD-GOSISDBHSA-N 1 0 401.511 0.740 20 0 HCADRO CC(C)[C@H](CNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)[NH+]1CCN(C)CC1 ZINC000498456195 1078621538 /nfs/dbraw/zinc/62/15/38/1078621538.db2.gz AMSKLTZNTLNERD-SFHVURJKSA-N 1 0 401.511 0.740 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1S(C)(=O)=O ZINC000498458294 1078622382 /nfs/dbraw/zinc/62/23/82/1078622382.db2.gz MUZGPOHTZKQKPB-INIZCTEOSA-N 1 0 423.535 0.908 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1S(C)(=O)=O ZINC000498458295 1078622230 /nfs/dbraw/zinc/62/22/30/1078622230.db2.gz MUZGPOHTZKQKPB-MRXNPFEDSA-N 1 0 423.535 0.908 20 0 HCADRO Cn1c(=O)c2cc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)cnc2n(C)c1=O ZINC000498458664 1078622319 /nfs/dbraw/zinc/62/23/19/1078622319.db2.gz WLBSXMOPMQLUGZ-UHFFFAOYSA-N 1 0 411.462 0.962 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCC[C@H](O)COC ZINC000498459471 1078623320 /nfs/dbraw/zinc/62/33/20/1078623320.db2.gz UUJMLDCYKXCRJE-INIZCTEOSA-N 1 0 408.499 0.289 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCC[C@@H](O)COC ZINC000498459472 1078623436 /nfs/dbraw/zinc/62/34/36/1078623436.db2.gz UUJMLDCYKXCRJE-MRXNPFEDSA-N 1 0 408.499 0.289 20 0 HCADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCC[C@H](O)COC)CC1 ZINC000498459893 1078624190 /nfs/dbraw/zinc/62/41/90/1078624190.db2.gz AYIWZOPDIHKTIU-HNNXBMFYSA-N 1 0 412.918 0.934 20 0 HCADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCC[C@@H](O)COC)CC1 ZINC000498459896 1078623954 /nfs/dbraw/zinc/62/39/54/1078623954.db2.gz AYIWZOPDIHKTIU-OAHLLOKOSA-N 1 0 412.918 0.934 20 0 HCADRO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498459998 1078625542 /nfs/dbraw/zinc/62/55/42/1078625542.db2.gz XGPHHLBQKWHJCH-MSOLQXFVSA-N 1 0 415.494 0.782 20 0 HCADRO COC[C@H](O)CCNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498460005 1078625576 /nfs/dbraw/zinc/62/55/76/1078625576.db2.gz XGPHHLBQKWHJCH-QZTJIDSGSA-N 1 0 415.494 0.782 20 0 HCADRO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498460007 1078625290 /nfs/dbraw/zinc/62/52/90/1078625290.db2.gz XGPHHLBQKWHJCH-ROUUACIJSA-N 1 0 415.494 0.782 20 0 HCADRO COC[C@H](O)CCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498460008 1078625563 /nfs/dbraw/zinc/62/55/63/1078625563.db2.gz XGPHHLBQKWHJCH-ZWKOTPCHSA-N 1 0 415.494 0.782 20 0 HCADRO C[NH+](C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CCCC1 ZINC000498460194 1078624718 /nfs/dbraw/zinc/62/47/18/1078624718.db2.gz BABNNONHWSZQAI-UHFFFAOYSA-N 1 0 422.551 0.754 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccnc3OCC(F)F)C2)CC1 ZINC000498461116 1078625896 /nfs/dbraw/zinc/62/58/96/1078625896.db2.gz LECIKDSCMFWAHC-AWEZNQCLSA-N 1 0 411.453 0.902 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccnc3OCC(F)F)C2)CC1 ZINC000498461117 1078626203 /nfs/dbraw/zinc/62/62/03/1078626203.db2.gz LECIKDSCMFWAHC-CQSZACIVSA-N 1 0 411.453 0.902 20 0 HCADRO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000498461270 1078625399 /nfs/dbraw/zinc/62/53/99/1078625399.db2.gz CHKABMKFJNGTEJ-MSOLQXFVSA-N 1 0 420.510 0.305 20 0 HCADRO COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000498461273 1078625332 /nfs/dbraw/zinc/62/53/32/1078625332.db2.gz CHKABMKFJNGTEJ-QZTJIDSGSA-N 1 0 420.510 0.305 20 0 HCADRO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000498461275 1078625416 /nfs/dbraw/zinc/62/54/16/1078625416.db2.gz CHKABMKFJNGTEJ-ROUUACIJSA-N 1 0 420.510 0.305 20 0 HCADRO COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000498461277 1078626146 /nfs/dbraw/zinc/62/61/46/1078626146.db2.gz CHKABMKFJNGTEJ-ZWKOTPCHSA-N 1 0 420.510 0.305 20 0 HCADRO Cn1c(=O)c2ccc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)nc2n(C)c1=O ZINC000498461567 1078625460 /nfs/dbraw/zinc/62/54/60/1078625460.db2.gz GDZNHVAKRHHQHZ-UHFFFAOYSA-N 1 0 411.462 0.962 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)ccc1S(C)(=O)=O ZINC000498461589 1078625494 /nfs/dbraw/zinc/62/54/94/1078625494.db2.gz NQCGLHIBIDMWAS-UHFFFAOYSA-N 1 0 410.540 0.479 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCc1ccn(C)n1 ZINC000498461714 1078625513 /nfs/dbraw/zinc/62/55/13/1078625513.db2.gz FCARESLSUWPUDX-UHFFFAOYSA-N 1 0 400.483 0.826 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(S(C)(=O)=O)c(C)c3)C2)CC1 ZINC000498461775 1078625383 /nfs/dbraw/zinc/62/53/83/1078625383.db2.gz OJXOGCDIXPPKJH-KRWDZBQOSA-N 1 0 422.551 0.575 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(C)(=O)=O)c(C)c3)C2)CC1 ZINC000498461778 1078625357 /nfs/dbraw/zinc/62/53/57/1078625357.db2.gz OJXOGCDIXPPKJH-QGZVFWFLSA-N 1 0 422.551 0.575 20 0 HCADRO CC(C)[C@H](CNC(=O)CNC(=O)c1cnc2ccccc2c1O)[NH+]1CCN(C)CC1 ZINC000498461802 1078625441 /nfs/dbraw/zinc/62/54/41/1078625441.db2.gz HFTQCRUBVORUGH-IBGZPJMESA-N 1 0 413.522 0.646 20 0 HCADRO CC(C)[C@@H](CNC(=O)CNC(=O)c1cnc2ccccc2c1O)[NH+]1CCN(C)CC1 ZINC000498461803 1078625249 /nfs/dbraw/zinc/62/52/49/1078625249.db2.gz HFTQCRUBVORUGH-LJQANCHMSA-N 1 0 413.522 0.646 20 0 HCADRO CC(C)[C@H](CNC(=O)C1CCN(c2ccc3nncn3n2)CC1)[NH+]1CCN(C)CC1 ZINC000498462818 1078625940 /nfs/dbraw/zinc/62/59/40/1078625940.db2.gz KHNMAMTVMJJKOL-SFHVURJKSA-N 1 0 414.558 0.729 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)ccc1S(C)(=O)=O ZINC000498465288 1078619816 /nfs/dbraw/zinc/61/98/16/1078619816.db2.gz GUODCMRPZZOVMS-UHFFFAOYSA-N 1 0 411.524 0.906 20 0 HCADRO CNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000498466152 1078629435 /nfs/dbraw/zinc/62/94/35/1078629435.db2.gz NNOQVPUOJZIROD-IBGZPJMESA-N 1 0 410.584 0.916 20 0 HCADRO CNS(=O)(=O)c1ccc(CCC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000498466155 1078629507 /nfs/dbraw/zinc/62/95/07/1078629507.db2.gz NNOQVPUOJZIROD-LJQANCHMSA-N 1 0 410.584 0.916 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498466866 1078627474 /nfs/dbraw/zinc/62/74/74/1078627474.db2.gz WBDBXTKBQPZPOM-BZUAXINKSA-N 1 0 402.495 0.478 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498466867 1078627301 /nfs/dbraw/zinc/62/73/01/1078627301.db2.gz WBDBXTKBQPZPOM-OAGGEKHMSA-N 1 0 402.495 0.478 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498466868 1078627488 /nfs/dbraw/zinc/62/74/88/1078627488.db2.gz WBDBXTKBQPZPOM-OWCLPIDISA-N 1 0 402.495 0.478 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498466869 1078627400 /nfs/dbraw/zinc/62/74/00/1078627400.db2.gz WBDBXTKBQPZPOM-PMPSAXMXSA-N 1 0 402.495 0.478 20 0 HCADRO COc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1Oc1ccc(C)nn1 ZINC000498467329 1078630494 /nfs/dbraw/zinc/63/04/94/1078630494.db2.gz SBKHKXJKEMBQOZ-AWEZNQCLSA-N 1 0 403.439 0.563 20 0 HCADRO COc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1Oc1ccc(C)nn1 ZINC000498467332 1078630564 /nfs/dbraw/zinc/63/05/64/1078630564.db2.gz SBKHKXJKEMBQOZ-CQSZACIVSA-N 1 0 403.439 0.563 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)NCc2ccn(C)n2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000498470861 1078633150 /nfs/dbraw/zinc/63/31/50/1078633150.db2.gz LXWVPJVMHGMCFO-GOSISDBHSA-N 1 0 412.494 0.841 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)NCc2ccn(C)n2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000498470862 1078633075 /nfs/dbraw/zinc/63/30/75/1078633075.db2.gz LXWVPJVMHGMCFO-SFHVURJKSA-N 1 0 412.494 0.841 20 0 HCADRO C[NH+](C)CCN(C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C1CCCC1 ZINC000498471078 1078633882 /nfs/dbraw/zinc/63/38/82/1078633882.db2.gz PBVYEEOCHOLBIP-UHFFFAOYSA-N 1 0 410.496 0.575 20 0 HCADRO COC[C@@H](O)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000498471395 1078633107 /nfs/dbraw/zinc/63/31/07/1078633107.db2.gz MRVYRULYRPYRQL-IBGZPJMESA-N 1 0 404.511 0.671 20 0 HCADRO COC[C@H](O)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000498471398 1078633063 /nfs/dbraw/zinc/63/30/63/1078633063.db2.gz MRVYRULYRPYRQL-LJQANCHMSA-N 1 0 404.511 0.671 20 0 HCADRO COCCN1CCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000498472714 1078633762 /nfs/dbraw/zinc/63/37/62/1078633762.db2.gz VAWDSKALIMNGQX-UHFFFAOYSA-N 1 0 401.442 0.950 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)ccc1S(C)(=O)=O ZINC000498473650 1078635080 /nfs/dbraw/zinc/63/50/80/1078635080.db2.gz NWHRPDGIYSGPPP-INIZCTEOSA-N 1 0 411.524 0.546 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1S(C)(=O)=O ZINC000498473651 1078634915 /nfs/dbraw/zinc/63/49/15/1078634915.db2.gz NWHRPDGIYSGPPP-MRXNPFEDSA-N 1 0 411.524 0.546 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cccnc2OCC(F)F)CC1 ZINC000498474674 1078635689 /nfs/dbraw/zinc/63/56/89/1078635689.db2.gz QCHQWDZIKQVZLM-CYBMUJFWSA-N 1 0 400.426 0.873 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cccnc2OCC(F)F)CC1 ZINC000498474677 1078635581 /nfs/dbraw/zinc/63/55/81/1078635581.db2.gz QCHQWDZIKQVZLM-ZDUSSCGKSA-N 1 0 400.426 0.873 20 0 HCADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498475640 1078636824 /nfs/dbraw/zinc/63/68/24/1078636824.db2.gz UBOGCWZMVPRQHY-UHFFFAOYSA-N 1 0 411.524 0.954 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)NCC2CCC2)CC1=O ZINC000498476229 1078636803 /nfs/dbraw/zinc/63/68/03/1078636803.db2.gz VHRTVOXARNVBRC-DLBZAZTESA-N 1 0 414.572 0.155 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)NCC2CCC2)CC1=O ZINC000498476231 1078636832 /nfs/dbraw/zinc/63/68/32/1078636832.db2.gz VHRTVOXARNVBRC-IAGOWNOFSA-N 1 0 414.572 0.155 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)NCC2CCC2)CC1=O ZINC000498476232 1078636820 /nfs/dbraw/zinc/63/68/20/1078636820.db2.gz VHRTVOXARNVBRC-IRXDYDNUSA-N 1 0 414.572 0.155 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)NCC2CCC2)CC1=O ZINC000498476233 1078636761 /nfs/dbraw/zinc/63/67/61/1078636761.db2.gz VHRTVOXARNVBRC-SJORKVTESA-N 1 0 414.572 0.155 20 0 HCADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000498476587 1078636796 /nfs/dbraw/zinc/63/67/96/1078636796.db2.gz WGMVEFQHWHRXRK-UYAOXDASSA-N 1 0 402.539 0.551 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cccnc2OCC(F)F)C1 ZINC000498479324 1078637930 /nfs/dbraw/zinc/63/79/30/1078637930.db2.gz JJKSTDPHBKPCAM-GFCCVEGCSA-N 1 0 413.425 0.368 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cccnc2OCC(F)F)C1 ZINC000498479325 1078637793 /nfs/dbraw/zinc/63/77/93/1078637793.db2.gz JJKSTDPHBKPCAM-LBPRGKRZSA-N 1 0 413.425 0.368 20 0 HCADRO O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCC[NH+]1CCCCC1 ZINC000498479352 1078637779 /nfs/dbraw/zinc/63/77/79/1078637779.db2.gz JRBCLYUXGAJWPF-UHFFFAOYSA-N 1 0 401.554 0.914 20 0 HCADRO COc1cc(Br)cc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000498479927 1078638434 /nfs/dbraw/zinc/63/84/34/1078638434.db2.gz PBWWMOSZNKUPCH-UHFFFAOYSA-N 1 0 400.273 0.969 20 0 HCADRO CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC12CCCCC2 ZINC000498480307 1078638949 /nfs/dbraw/zinc/63/89/49/1078638949.db2.gz RIKKSBIQKWSVQE-UHFFFAOYSA-N 1 0 404.515 0.777 20 0 HCADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccnc2ccnn21 ZINC000498498920 1078666152 /nfs/dbraw/zinc/66/61/52/1078666152.db2.gz XASBIOJGOIETAV-SFHVURJKSA-N 1 0 409.494 0.818 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccn(C)n2)c1 ZINC000498499135 1078664766 /nfs/dbraw/zinc/66/47/66/1078664766.db2.gz ITWZLQLUKRXPCP-UHFFFAOYSA-N 1 0 400.483 0.747 20 0 HCADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)CC1 ZINC000498503364 1078677217 /nfs/dbraw/zinc/67/72/17/1078677217.db2.gz MNCWRMXBKOGZNS-MRXNPFEDSA-N 1 0 416.526 0.404 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000498503644 1078677343 /nfs/dbraw/zinc/67/73/43/1078677343.db2.gz NQOGCMHBRCTREC-BBWFWOEESA-N 1 0 410.584 0.647 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000498503645 1078676802 /nfs/dbraw/zinc/67/68/02/1078676802.db2.gz NQOGCMHBRCTREC-IXDOHACOSA-N 1 0 410.584 0.647 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000498503646 1078676776 /nfs/dbraw/zinc/67/67/76/1078676776.db2.gz NQOGCMHBRCTREC-ULQDDVLXSA-N 1 0 410.584 0.647 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000498503647 1078676631 /nfs/dbraw/zinc/67/66/31/1078676631.db2.gz NQOGCMHBRCTREC-ZACQAIPSSA-N 1 0 410.584 0.647 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000498504382 1078668463 /nfs/dbraw/zinc/66/84/63/1078668463.db2.gz PLRRTDVWRCRWLZ-UHFFFAOYSA-N 1 0 422.327 0.913 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 ZINC000498504818 1078667772 /nfs/dbraw/zinc/66/77/72/1078667772.db2.gz KHKWJCCDVIDGJN-UHFFFAOYSA-N 1 0 411.572 0.567 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000498504866 1078667808 /nfs/dbraw/zinc/66/78/08/1078667808.db2.gz KMBBGPJGXPLWPB-AEFFLSMTSA-N 1 0 416.522 0.953 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000498504868 1078667743 /nfs/dbraw/zinc/66/77/43/1078667743.db2.gz KMBBGPJGXPLWPB-FUHWJXTLSA-N 1 0 416.522 0.953 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000498504869 1078667882 /nfs/dbraw/zinc/66/78/82/1078667882.db2.gz KMBBGPJGXPLWPB-SJLPKXTDSA-N 1 0 416.522 0.953 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000498504870 1078667849 /nfs/dbraw/zinc/66/78/49/1078667849.db2.gz KMBBGPJGXPLWPB-WMZOPIPTSA-N 1 0 416.522 0.953 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000498505411 1078670165 /nfs/dbraw/zinc/67/01/65/1078670165.db2.gz UJKZJHXKCANHGI-UHFFFAOYSA-N 1 0 404.483 0.387 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000498507092 1078672986 /nfs/dbraw/zinc/67/29/86/1078672986.db2.gz BUKOKLHCNAVOJA-UHFFFAOYSA-N 1 0 423.311 0.799 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000498507325 1078672501 /nfs/dbraw/zinc/67/25/01/1078672501.db2.gz YMFDKBBVPFABBT-AWEZNQCLSA-N 1 0 418.510 0.775 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000498507326 1078672450 /nfs/dbraw/zinc/67/24/50/1078672450.db2.gz YMFDKBBVPFABBT-CQSZACIVSA-N 1 0 418.510 0.775 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000498507789 1078671767 /nfs/dbraw/zinc/67/17/67/1078671767.db2.gz SCUJMDJRAJCQTM-UHFFFAOYSA-N 1 0 408.568 0.284 20 0 HCADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000498508110 1078674701 /nfs/dbraw/zinc/67/47/01/1078674701.db2.gz SXRZUWRDOBTHBW-AEFFLSMTSA-N 1 0 400.531 0.417 20 0 HCADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000498508111 1078674799 /nfs/dbraw/zinc/67/47/99/1078674799.db2.gz SXRZUWRDOBTHBW-FUHWJXTLSA-N 1 0 400.531 0.417 20 0 HCADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000498508112 1078674869 /nfs/dbraw/zinc/67/48/69/1078674869.db2.gz SXRZUWRDOBTHBW-SJLPKXTDSA-N 1 0 400.531 0.417 20 0 HCADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000498508113 1078675384 /nfs/dbraw/zinc/67/53/84/1078675384.db2.gz SXRZUWRDOBTHBW-WMZOPIPTSA-N 1 0 400.531 0.417 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000498509119 1073397872 /nfs/dbraw/zinc/39/78/72/1073397872.db2.gz HSAAVKPXDCTQNL-UHFFFAOYSA-N 1 0 411.524 0.375 20 0 HCADRO CCCC[N@H+](C)CC1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000498509138 1078676032 /nfs/dbraw/zinc/67/60/32/1078676032.db2.gz HWERESCEJQOYMD-UHFFFAOYSA-N 1 0 404.515 0.404 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000498509754 1078681450 /nfs/dbraw/zinc/68/14/50/1078681450.db2.gz JEDJWWWABGLRPU-KRWDZBQOSA-N 1 0 414.506 0.829 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000498509759 1078681428 /nfs/dbraw/zinc/68/14/28/1078681428.db2.gz JEDJWWWABGLRPU-QGZVFWFLSA-N 1 0 414.506 0.829 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000498509959 1078682575 /nfs/dbraw/zinc/68/25/75/1078682575.db2.gz ZFXAMBPIYSNGHQ-KRWDZBQOSA-N 1 0 402.495 0.564 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000498509960 1078682601 /nfs/dbraw/zinc/68/26/01/1078682601.db2.gz ZFXAMBPIYSNGHQ-QGZVFWFLSA-N 1 0 402.495 0.564 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000498510645 1078682121 /nfs/dbraw/zinc/68/21/21/1078682121.db2.gz MFZGZZBEOREESQ-UHFFFAOYSA-N 1 0 408.568 0.814 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000498511928 1078686397 /nfs/dbraw/zinc/68/63/97/1078686397.db2.gz REDILHGWNCVGSE-UHFFFAOYSA-N 1 0 402.948 0.714 20 0 HCADRO CCCC[N@H+](C)CC1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000498512228 1078686774 /nfs/dbraw/zinc/68/67/74/1078686774.db2.gz BAJFHDSRPXKAKE-UHFFFAOYSA-N 1 0 404.515 0.404 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000498512367 1073412326 /nfs/dbraw/zinc/41/23/26/1073412326.db2.gz SDIFKMBWQNAMMF-FQEVSTJZSA-N 1 0 422.595 0.982 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000498512368 1078685888 /nfs/dbraw/zinc/68/58/88/1078685888.db2.gz SDIFKMBWQNAMMF-HXUWFJFHSA-N 1 0 422.595 0.982 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000498512685 1078685300 /nfs/dbraw/zinc/68/53/00/1078685300.db2.gz ULBFTHUBVQJYMO-GOSISDBHSA-N 1 0 408.568 0.841 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000498512686 1078685336 /nfs/dbraw/zinc/68/53/36/1078685336.db2.gz ULBFTHUBVQJYMO-SFHVURJKSA-N 1 0 408.568 0.841 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000498512739 1078684129 /nfs/dbraw/zinc/68/41/29/1078684129.db2.gz VCQQSIQYVRCMET-KRWDZBQOSA-N 1 0 423.583 0.625 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000498512740 1078684796 /nfs/dbraw/zinc/68/47/96/1078684796.db2.gz VCQQSIQYVRCMET-QGZVFWFLSA-N 1 0 423.583 0.625 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000498512826 1078684774 /nfs/dbraw/zinc/68/47/74/1078684774.db2.gz DMVAVHDRCICQDK-UHFFFAOYSA-N 1 0 412.556 0.969 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000498512873 1078686425 /nfs/dbraw/zinc/68/64/25/1078686425.db2.gz FABUEAICDUVFHI-GOSISDBHSA-N 1 0 422.595 0.673 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000498512874 1078686376 /nfs/dbraw/zinc/68/63/76/1078686376.db2.gz FABUEAICDUVFHI-SFHVURJKSA-N 1 0 422.595 0.673 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)CC1 ZINC000498513062 1078688639 /nfs/dbraw/zinc/68/86/39/1078688639.db2.gz GFVOEHDXHRLHEJ-UHFFFAOYSA-N 1 0 406.527 0.966 20 0 HCADRO CCOc1ccc(S(=O)(=O)NCCC(=O)NCCN2CC[NH+](CC)CC2)cc1 ZINC000498513178 1078687416 /nfs/dbraw/zinc/68/74/16/1078687416.db2.gz GMPWSGCPRJRZPN-UHFFFAOYSA-N 1 0 412.556 0.507 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)CC1 ZINC000498514004 1078689026 /nfs/dbraw/zinc/68/90/26/1078689026.db2.gz MHAOHYDJDGLAET-UHFFFAOYSA-N 1 0 400.483 0.714 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 ZINC000498515867 1078678829 /nfs/dbraw/zinc/67/88/29/1078678829.db2.gz UTYVRNBVDKPYKK-CYBMUJFWSA-N 1 0 416.519 0.166 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 ZINC000498515868 1078679136 /nfs/dbraw/zinc/67/91/36/1078679136.db2.gz UTYVRNBVDKPYKK-ZDUSSCGKSA-N 1 0 416.519 0.166 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CC1 ZINC000498516389 1078678865 /nfs/dbraw/zinc/67/88/65/1078678865.db2.gz LTBHRAVETIQOTF-INIZCTEOSA-N 1 0 423.464 0.924 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CC1 ZINC000498516393 1078679045 /nfs/dbraw/zinc/67/90/45/1078679045.db2.gz LTBHRAVETIQOTF-MRXNPFEDSA-N 1 0 423.464 0.924 20 0 HCADRO CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCN3CC[NH+](CC)CC3)cc(C3CC3)nc21 ZINC000498516436 1078679060 /nfs/dbraw/zinc/67/90/60/1078679060.db2.gz MHACFTZRPQKPFX-UHFFFAOYSA-N 1 0 414.510 0.762 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000498517021 1078680142 /nfs/dbraw/zinc/68/01/42/1078680142.db2.gz OUWGBDJCZVBNDK-UHFFFAOYSA-N 1 0 414.485 0.913 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000498517054 1078680081 /nfs/dbraw/zinc/68/00/81/1078680081.db2.gz PAKULRXYJJMRRT-UHFFFAOYSA-N 1 0 402.948 0.762 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000498517062 1078680070 /nfs/dbraw/zinc/68/00/70/1078680070.db2.gz PBUKCZGVMZEKIH-AWEZNQCLSA-N 1 0 402.948 0.761 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000498518556 1078680511 /nfs/dbraw/zinc/68/05/11/1078680511.db2.gz WMDXKBYCUQYSHY-GOSISDBHSA-N 1 0 424.567 0.511 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000498518557 1078680419 /nfs/dbraw/zinc/68/04/19/1078680419.db2.gz WMDXKBYCUQYSHY-SFHVURJKSA-N 1 0 424.567 0.511 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000498520687 1078697599 /nfs/dbraw/zinc/69/75/99/1078697599.db2.gz AJXQJBWBRJLRHJ-UHFFFAOYSA-N 1 0 410.540 0.075 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000498520690 1078697686 /nfs/dbraw/zinc/69/76/86/1078697686.db2.gz AKWMQCMQAJGTOB-BEFAXECRSA-N 1 0 400.527 0.890 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000498520691 1078697498 /nfs/dbraw/zinc/69/74/98/1078697498.db2.gz AKWMQCMQAJGTOB-DNVCBOLYSA-N 1 0 400.527 0.890 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000498520692 1078697424 /nfs/dbraw/zinc/69/74/24/1078697424.db2.gz AKWMQCMQAJGTOB-HNAYVOBHSA-N 1 0 400.527 0.890 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000498520693 1078697658 /nfs/dbraw/zinc/69/76/58/1078697658.db2.gz AKWMQCMQAJGTOB-KXBFYZLASA-N 1 0 400.527 0.890 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000498520890 1078697370 /nfs/dbraw/zinc/69/73/70/1078697370.db2.gz BUURXZUNYBZEPN-UHFFFAOYSA-N 1 0 410.540 0.075 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)CC1 ZINC000498521811 1078699491 /nfs/dbraw/zinc/69/94/91/1078699491.db2.gz AZQZYIXHCYCKKE-UHFFFAOYSA-N 1 0 417.535 0.672 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 ZINC000498521968 1078689737 /nfs/dbraw/zinc/68/97/37/1078689737.db2.gz IILUGQZXLPRVHC-INIZCTEOSA-N 1 0 421.567 0.723 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 ZINC000498521970 1078690418 /nfs/dbraw/zinc/69/04/18/1078690418.db2.gz IILUGQZXLPRVHC-MRXNPFEDSA-N 1 0 421.567 0.723 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000498522591 1073440037 /nfs/dbraw/zinc/44/00/37/1073440037.db2.gz LCWJFKWREAIKHF-UHFFFAOYSA-N 1 0 422.473 0.737 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1 ZINC000498522639 1078689760 /nfs/dbraw/zinc/68/97/60/1078689760.db2.gz LPGNQFYCLIHRQA-CYBMUJFWSA-N 1 0 412.918 0.969 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1 ZINC000498522641 1078689743 /nfs/dbraw/zinc/68/97/43/1078689743.db2.gz LPGNQFYCLIHRQA-ZDUSSCGKSA-N 1 0 412.918 0.969 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)CC1 ZINC000498522934 1078690307 /nfs/dbraw/zinc/69/03/07/1078690307.db2.gz OATPXFDIRZKPAE-UHFFFAOYSA-N 1 0 401.515 0.131 20 0 HCADRO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H](C)N3CC[NH+](CC)CC3)cnc21 ZINC000498523501 1078690457 /nfs/dbraw/zinc/69/04/57/1078690457.db2.gz RVCPCGNVBFPCSP-AWEZNQCLSA-N 1 0 402.499 0.663 20 0 HCADRO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@H](C)N3CC[NH+](CC)CC3)cnc21 ZINC000498523503 1078690353 /nfs/dbraw/zinc/69/03/53/1078690353.db2.gz RVCPCGNVBFPCSP-CQSZACIVSA-N 1 0 402.499 0.663 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000498523906 1078690254 /nfs/dbraw/zinc/69/02/54/1078690254.db2.gz DACVPHCIKDZMDV-UHFFFAOYSA-N 1 0 409.556 0.236 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CC1 ZINC000498524397 1078690975 /nfs/dbraw/zinc/69/09/75/1078690975.db2.gz FLBLSXGXGHUULB-INIZCTEOSA-N 1 0 412.556 0.367 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CC1 ZINC000498524398 1078691125 /nfs/dbraw/zinc/69/11/25/1078691125.db2.gz FLBLSXGXGHUULB-MRXNPFEDSA-N 1 0 412.556 0.367 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC000498524674 1078691151 /nfs/dbraw/zinc/69/11/51/1078691151.db2.gz DWXIXKVFLZQMSY-GDBMZVCRSA-N 1 0 409.508 0.601 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC000498524675 1078690898 /nfs/dbraw/zinc/69/08/98/1078690898.db2.gz DWXIXKVFLZQMSY-GOEBONIOSA-N 1 0 409.508 0.601 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 ZINC000498524676 1078691014 /nfs/dbraw/zinc/69/10/14/1078691014.db2.gz DWXIXKVFLZQMSY-HOCLYGCPSA-N 1 0 409.508 0.601 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 ZINC000498524677 1078691189 /nfs/dbraw/zinc/69/11/89/1078691189.db2.gz DWXIXKVFLZQMSY-ZBFHGGJFSA-N 1 0 409.508 0.601 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000498524744 1078691020 /nfs/dbraw/zinc/69/10/20/1078691020.db2.gz GWBJJFPTNPPGIZ-HNNXBMFYSA-N 1 0 400.520 0.636 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000498524755 1078691073 /nfs/dbraw/zinc/69/10/73/1078691073.db2.gz GWBJJFPTNPPGIZ-OAHLLOKOSA-N 1 0 400.520 0.636 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000498525286 1078692962 /nfs/dbraw/zinc/69/29/62/1078692962.db2.gz QAZQPJOLTCUNEU-KRWDZBQOSA-N 1 0 424.567 0.463 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000498525288 1078692925 /nfs/dbraw/zinc/69/29/25/1078692925.db2.gz QAZQPJOLTCUNEU-QGZVFWFLSA-N 1 0 424.567 0.463 20 0 HCADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000498526412 1073443360 /nfs/dbraw/zinc/44/33/60/1073443360.db2.gz BAIZKDSJLCAINB-UHFFFAOYSA-N 1 0 422.507 0.576 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000498527121 1073443296 /nfs/dbraw/zinc/44/32/96/1073443296.db2.gz QILRMTOJHDMDET-UHFFFAOYSA-N 1 0 409.450 0.773 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000498527535 1078695197 /nfs/dbraw/zinc/69/51/97/1078695197.db2.gz FCHVCDKHAOJJLR-CVEARBPZSA-N 1 0 412.556 0.504 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000498527541 1078695256 /nfs/dbraw/zinc/69/52/56/1078695256.db2.gz FCHVCDKHAOJJLR-HOTGVXAUSA-N 1 0 412.556 0.504 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000498528104 1078695893 /nfs/dbraw/zinc/69/58/93/1078695893.db2.gz SSVFAMVRFPERQJ-INIZCTEOSA-N 1 0 401.511 0.894 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000498528105 1078695807 /nfs/dbraw/zinc/69/58/07/1078695807.db2.gz SSVFAMVRFPERQJ-MRXNPFEDSA-N 1 0 401.511 0.894 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn32)CC1 ZINC000498528294 1078695902 /nfs/dbraw/zinc/69/59/02/1078695902.db2.gz ITRXAHGNUJRYPQ-UHFFFAOYSA-N 1 0 411.466 0.456 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000498528831 1078695224 /nfs/dbraw/zinc/69/52/24/1078695224.db2.gz KLHFHNBUDOQWKQ-HNNXBMFYSA-N 1 0 400.520 0.636 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000498528832 1078695129 /nfs/dbraw/zinc/69/51/29/1078695129.db2.gz KLHFHNBUDOQWKQ-OAHLLOKOSA-N 1 0 400.520 0.636 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000498529546 1078697189 /nfs/dbraw/zinc/69/71/89/1078697189.db2.gz NNIWQBUGKIUYDF-KRWDZBQOSA-N 1 0 424.567 0.463 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000498529547 1078697038 /nfs/dbraw/zinc/69/70/38/1078697038.db2.gz NNIWQBUGKIUYDF-QGZVFWFLSA-N 1 0 424.567 0.463 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 ZINC000498530771 1078701198 /nfs/dbraw/zinc/70/11/98/1078701198.db2.gz XRJTWXRZYMQHTI-INIZCTEOSA-N 1 0 411.506 0.766 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 ZINC000498530772 1078701254 /nfs/dbraw/zinc/70/12/54/1078701254.db2.gz XRJTWXRZYMQHTI-MRXNPFEDSA-N 1 0 411.506 0.766 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)CN3C(=O)NC(C)(C)C3=O)cc2)CC1 ZINC000498537047 1078700275 /nfs/dbraw/zinc/70/02/75/1078700275.db2.gz FQYFBAWZNPABRE-UHFFFAOYSA-N 1 0 401.511 0.771 20 0 HCADRO COCCN1C(=O)C[C@H](N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000498545846 1078713664 /nfs/dbraw/zinc/71/36/64/1078713664.db2.gz WXEIORAVVUZERP-MOPGFXCFSA-N 1 0 415.538 0.690 20 0 HCADRO COCCN1C(=O)C[C@H](N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000498545847 1078713622 /nfs/dbraw/zinc/71/36/22/1078713622.db2.gz WXEIORAVVUZERP-OALUTQOASA-N 1 0 415.538 0.690 20 0 HCADRO COCCN1C(=O)C[C@@H](N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000498545848 1078713682 /nfs/dbraw/zinc/71/36/82/1078713682.db2.gz WXEIORAVVUZERP-RBUKOAKNSA-N 1 0 415.538 0.690 20 0 HCADRO COCCN1C(=O)C[C@@H](N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000498545849 1078713636 /nfs/dbraw/zinc/71/36/36/1078713636.db2.gz WXEIORAVVUZERP-RTBURBONSA-N 1 0 415.538 0.690 20 0 HCADRO NC(=O)c1cccc(S(=O)(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000498546329 1078707246 /nfs/dbraw/zinc/70/72/46/1078707246.db2.gz JWQCMXUJDYDMCY-UHFFFAOYSA-N 1 0 403.508 0.671 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1C(N)=O ZINC000498548466 1078714974 /nfs/dbraw/zinc/71/49/74/1078714974.db2.gz MJZMPNHSVHWINY-UHFFFAOYSA-N 1 0 417.535 0.980 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H]1C ZINC000498556082 1078720566 /nfs/dbraw/zinc/72/05/66/1078720566.db2.gz OFOFVYJMDKPUTJ-ILXRZTDVSA-N 1 0 408.524 0.628 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H]1C ZINC000498556083 1078720493 /nfs/dbraw/zinc/72/04/93/1078720493.db2.gz OFOFVYJMDKPUTJ-KKUMJFAQSA-N 1 0 408.524 0.628 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H]1C ZINC000498556084 1078720509 /nfs/dbraw/zinc/72/05/09/1078720509.db2.gz OFOFVYJMDKPUTJ-QLFBSQMISA-N 1 0 408.524 0.628 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H]1C ZINC000498556085 1078720544 /nfs/dbraw/zinc/72/05/44/1078720544.db2.gz OFOFVYJMDKPUTJ-SOUVJXGZSA-N 1 0 408.524 0.628 20 0 HCADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C[C@H]1C ZINC000498556778 1078720092 /nfs/dbraw/zinc/72/00/92/1078720092.db2.gz ROMYAKSOCLNPAW-CHWSQXEVSA-N 1 0 416.569 0.604 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C[C@H]1C ZINC000498556779 1078719978 /nfs/dbraw/zinc/71/99/78/1078719978.db2.gz ROMYAKSOCLNPAW-OLZOCXBDSA-N 1 0 416.569 0.604 20 0 HCADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C[C@@H]1C ZINC000498556780 1078719900 /nfs/dbraw/zinc/71/99/00/1078719900.db2.gz ROMYAKSOCLNPAW-QWHCGFSZSA-N 1 0 416.569 0.604 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C[C@@H]1C ZINC000498556781 1078720051 /nfs/dbraw/zinc/72/00/51/1078720051.db2.gz ROMYAKSOCLNPAW-STQMWFEESA-N 1 0 416.569 0.604 20 0 HCADRO CC(C)NC(=O)CN(C)CC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000498557556 1078721102 /nfs/dbraw/zinc/72/11/02/1078721102.db2.gz BFTIKXDAPCWCAB-UHFFFAOYSA-N 1 0 419.570 0.732 20 0 HCADRO O=C(CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)NC(=O)NC1CC1 ZINC000498557558 1078721055 /nfs/dbraw/zinc/72/10/55/1078721055.db2.gz BIZIDTQODWVFJN-KRWDZBQOSA-N 1 0 400.527 0.904 20 0 HCADRO O=C(CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)NC(=O)NC1CC1 ZINC000498557559 1078721135 /nfs/dbraw/zinc/72/11/35/1078721135.db2.gz BIZIDTQODWVFJN-QGZVFWFLSA-N 1 0 400.527 0.904 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000498557721 1078721016 /nfs/dbraw/zinc/72/10/16/1078721016.db2.gz PAAVANKMBGQQAT-CALCHBBNSA-N 1 0 409.556 0.522 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000498557723 1078721240 /nfs/dbraw/zinc/72/12/40/1078721240.db2.gz PAAVANKMBGQQAT-IAGOWNOFSA-N 1 0 409.556 0.522 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000498557724 1073494223 /nfs/dbraw/zinc/49/42/23/1073494223.db2.gz PAAVANKMBGQQAT-IRXDYDNUSA-N 1 0 409.556 0.522 20 0 HCADRO Cn1c(CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc(=O)n(C)c1=O ZINC000498557809 1078721154 /nfs/dbraw/zinc/72/11/54/1078721154.db2.gz BYOLMUSHCXJOMC-GOSISDBHSA-N 1 0 412.538 0.513 20 0 HCADRO Cn1c(CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc(=O)n(C)c1=O ZINC000498557810 1078721189 /nfs/dbraw/zinc/72/11/89/1078721189.db2.gz BYOLMUSHCXJOMC-SFHVURJKSA-N 1 0 412.538 0.513 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H]1C ZINC000498558012 1073495319 /nfs/dbraw/zinc/49/53/19/1073495319.db2.gz XTNQNTJJHFSCPN-CABCVRRESA-N 1 0 408.524 0.362 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@@H]1C ZINC000498558013 1078730789 /nfs/dbraw/zinc/73/07/89/1078730789.db2.gz XTNQNTJJHFSCPN-GJZGRUSLSA-N 1 0 408.524 0.362 20 0 HCADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H]1C ZINC000498558014 1078730755 /nfs/dbraw/zinc/73/07/55/1078730755.db2.gz XTNQNTJJHFSCPN-HUUCEWRRSA-N 1 0 408.524 0.362 20 0 HCADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@@H]1C ZINC000498558015 1078730885 /nfs/dbraw/zinc/73/08/85/1078730885.db2.gz XTNQNTJJHFSCPN-LSDHHAIUSA-N 1 0 408.524 0.362 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC000498558933 1078721723 /nfs/dbraw/zinc/72/17/23/1078721723.db2.gz YRYDSNDQYRNLFZ-CVEARBPZSA-N 1 0 412.556 0.820 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC000498558942 1078721627 /nfs/dbraw/zinc/72/16/27/1078721627.db2.gz YRYDSNDQYRNLFZ-HOTGVXAUSA-N 1 0 412.556 0.820 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC000498558943 1078721745 /nfs/dbraw/zinc/72/17/45/1078721745.db2.gz YRYDSNDQYRNLFZ-HZPDHXFCSA-N 1 0 412.556 0.820 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC000498558944 1078721732 /nfs/dbraw/zinc/72/17/32/1078721732.db2.gz YRYDSNDQYRNLFZ-JKSUJKDBSA-N 1 0 412.556 0.820 20 0 HCADRO CS(=O)(=O)c1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000498559151 1078731866 /nfs/dbraw/zinc/73/18/66/1078731866.db2.gz GVINAWNHOVJTKF-UHFFFAOYSA-N 1 0 407.496 0.805 20 0 HCADRO CNC(=O)c1cc(S(=O)(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cn1C ZINC000498559406 1078731830 /nfs/dbraw/zinc/73/18/30/1078731830.db2.gz JHMAVALMFDDEGJ-UHFFFAOYSA-N 1 0 420.539 0.270 20 0 HCADRO NC(=O)c1ccc(S(=O)(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000498559826 1078731354 /nfs/dbraw/zinc/73/13/54/1078731354.db2.gz MGTUWMYTNLGIPV-UHFFFAOYSA-N 1 0 403.508 0.671 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC2(O)CCOCC2)c1 ZINC000498560094 1078722122 /nfs/dbraw/zinc/72/21/22/1078722122.db2.gz ODGXCACHXMDQIR-UHFFFAOYSA-N 1 0 406.483 0.563 20 0 HCADRO CNC(=O)c1ccc(S(=O)(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000498560166 1078732211 /nfs/dbraw/zinc/73/22/11/1078732211.db2.gz PJEFIUUZHDSBGE-UHFFFAOYSA-N 1 0 417.535 0.932 20 0 HCADRO Cn1cc(S(=O)(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1C(N)=O ZINC000498561830 1078722206 /nfs/dbraw/zinc/72/22/06/1078722206.db2.gz SUODLRRKAAVMQY-UHFFFAOYSA-N 1 0 406.512 0.010 20 0 HCADRO C[C@@H](NC(=O)CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(=O)N(C)C ZINC000498562436 1078724706 /nfs/dbraw/zinc/72/47/06/1078724706.db2.gz DTASQOKUSHDVBK-MOPGFXCFSA-N 1 0 416.570 0.509 20 0 HCADRO C[C@H](NC(=O)CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(=O)N(C)C ZINC000498562437 1078724562 /nfs/dbraw/zinc/72/45/62/1078724562.db2.gz DTASQOKUSHDVBK-OALUTQOASA-N 1 0 416.570 0.509 20 0 HCADRO C[C@H](NC(=O)CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(=O)N(C)C ZINC000498562438 1078725293 /nfs/dbraw/zinc/72/52/93/1078725293.db2.gz DTASQOKUSHDVBK-RBUKOAKNSA-N 1 0 416.570 0.509 20 0 HCADRO C[C@@H](NC(=O)CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(=O)N(C)C ZINC000498562439 1078725060 /nfs/dbraw/zinc/72/50/60/1078725060.db2.gz DTASQOKUSHDVBK-RTBURBONSA-N 1 0 416.570 0.509 20 0 HCADRO C[NH+]1CCC(CNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000498565443 1078728930 /nfs/dbraw/zinc/72/89/30/1078728930.db2.gz YBTYAWSFGBHGAD-DLBZAZTESA-N 1 0 414.506 0.480 20 0 HCADRO C[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000498565444 1078728886 /nfs/dbraw/zinc/72/88/86/1078728886.db2.gz YBTYAWSFGBHGAD-IAGOWNOFSA-N 1 0 414.506 0.480 20 0 HCADRO C[NH+]1CCC(CNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000498565445 1078729048 /nfs/dbraw/zinc/72/90/48/1078729048.db2.gz YBTYAWSFGBHGAD-IRXDYDNUSA-N 1 0 414.506 0.480 20 0 HCADRO C[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000498565446 1078729059 /nfs/dbraw/zinc/72/90/59/1078729059.db2.gz YBTYAWSFGBHGAD-SJORKVTESA-N 1 0 414.506 0.480 20 0 HCADRO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498569672 1073514168 /nfs/dbraw/zinc/51/41/68/1073514168.db2.gz IANGINDORRLMOR-LEWJYISDSA-N 1 0 403.571 0.609 20 0 HCADRO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498569673 1073515026 /nfs/dbraw/zinc/51/50/26/1073515026.db2.gz IANGINDORRLMOR-NHCUHLMSSA-N 1 0 403.571 0.609 20 0 HCADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498569674 1073514948 /nfs/dbraw/zinc/51/49/48/1073514948.db2.gz IANGINDORRLMOR-RTWAWAEBSA-N 1 0 403.571 0.609 20 0 HCADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498569675 1073514601 /nfs/dbraw/zinc/51/46/01/1073514601.db2.gz IANGINDORRLMOR-SFTDATJTSA-N 1 0 403.571 0.609 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)ccc1F ZINC000498572138 1078733322 /nfs/dbraw/zinc/73/33/22/1078733322.db2.gz VACAWOPAOHUTAC-UHFFFAOYSA-N 1 0 400.476 0.473 20 0 HCADRO CC[NH+](CC)CCN(C(=O)Nc1ccc2c(c1)C(=O)NC2=O)[C@H]1CCS(=O)(=O)C1 ZINC000498572895 1078732310 /nfs/dbraw/zinc/73/23/10/1078732310.db2.gz CDBXJFIQTJBHTA-AWEZNQCLSA-N 1 0 422.507 0.933 20 0 HCADRO CC[NH+](CC)CCN(C(=O)Nc1ccc2c(c1)C(=O)NC2=O)[C@@H]1CCS(=O)(=O)C1 ZINC000498572901 1078732295 /nfs/dbraw/zinc/73/22/95/1078732295.db2.gz CDBXJFIQTJBHTA-CQSZACIVSA-N 1 0 422.507 0.933 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)ccc1F ZINC000498574157 1078734667 /nfs/dbraw/zinc/73/46/67/1078734667.db2.gz DFPWKCUYXYVTSE-UHFFFAOYSA-N 1 0 400.476 0.520 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)Nc2cccc3c2CNC3=O)c1 ZINC000498574524 1073551725 /nfs/dbraw/zinc/55/17/25/1073551725.db2.gz FBEKLUKHAYEUOF-UHFFFAOYSA-N 1 0 423.473 0.476 20 0 HCADRO COC(=O)CCNC(=O)CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498575085 1073552277 /nfs/dbraw/zinc/55/22/77/1073552277.db2.gz COCMDAQYMVUWCY-GOSISDBHSA-N 1 0 403.527 0.595 20 0 HCADRO COC(=O)CCNC(=O)CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498575086 1078735113 /nfs/dbraw/zinc/73/51/13/1078735113.db2.gz COCMDAQYMVUWCY-SFHVURJKSA-N 1 0 403.527 0.595 20 0 HCADRO O=S(=O)(N1CCOCC1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498576245 1078735590 /nfs/dbraw/zinc/73/55/90/1078735590.db2.gz JBIOUNZZVBZNJK-GOSISDBHSA-N 1 0 409.556 0.493 20 0 HCADRO O=S(=O)(N1CCOCC1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498576246 1078735570 /nfs/dbraw/zinc/73/55/70/1078735570.db2.gz JBIOUNZZVBZNJK-SFHVURJKSA-N 1 0 409.556 0.493 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]1C ZINC000498576933 1078735776 /nfs/dbraw/zinc/73/57/76/1078735776.db2.gz NRTDBQZOQGJXBO-CABCVRRESA-N 1 0 408.524 0.362 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@H]1C ZINC000498576934 1078735724 /nfs/dbraw/zinc/73/57/24/1078735724.db2.gz NRTDBQZOQGJXBO-GJZGRUSLSA-N 1 0 408.524 0.362 20 0 HCADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]1C ZINC000498576935 1073560244 /nfs/dbraw/zinc/56/02/44/1073560244.db2.gz NRTDBQZOQGJXBO-HUUCEWRRSA-N 1 0 408.524 0.362 20 0 HCADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@H]1C ZINC000498576936 1073560388 /nfs/dbraw/zinc/56/03/88/1073560388.db2.gz NRTDBQZOQGJXBO-LSDHHAIUSA-N 1 0 408.524 0.362 20 0 HCADRO CC[N@H+](CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000498577238 1078739460 /nfs/dbraw/zinc/73/94/60/1078739460.db2.gz NGCDPLVDWJACEI-BBWFWOEESA-N 1 0 401.573 0.943 20 0 HCADRO CC[N@H+](CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000498577240 1078739494 /nfs/dbraw/zinc/73/94/94/1078739494.db2.gz NGCDPLVDWJACEI-BRWVUGGUSA-N 1 0 401.573 0.943 20 0 HCADRO CC[N@H+](CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000498577242 1078739417 /nfs/dbraw/zinc/73/94/17/1078739417.db2.gz NGCDPLVDWJACEI-GVDBMIGSSA-N 1 0 401.573 0.943 20 0 HCADRO CC[N@H+](CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000498577243 1078739530 /nfs/dbraw/zinc/73/95/30/1078739530.db2.gz NGCDPLVDWJACEI-ZACQAIPSSA-N 1 0 401.573 0.943 20 0 HCADRO COC(=O)CNC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498578073 1078741159 /nfs/dbraw/zinc/74/11/59/1078741159.db2.gz RYMVLUYBOUOYKW-MSOLQXFVSA-N 1 0 403.527 0.593 20 0 HCADRO COC(=O)CNC(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498578074 1078741138 /nfs/dbraw/zinc/74/11/38/1078741138.db2.gz RYMVLUYBOUOYKW-QZTJIDSGSA-N 1 0 403.527 0.593 20 0 HCADRO COC(=O)CNC(=O)[C@H](C)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498578075 1078741225 /nfs/dbraw/zinc/74/12/25/1078741225.db2.gz RYMVLUYBOUOYKW-ROUUACIJSA-N 1 0 403.527 0.593 20 0 HCADRO COC(=O)CNC(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498578076 1078741273 /nfs/dbraw/zinc/74/12/73/1078741273.db2.gz RYMVLUYBOUOYKW-ZWKOTPCHSA-N 1 0 403.527 0.593 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)ccc1F ZINC000498578273 1078740653 /nfs/dbraw/zinc/74/06/53/1078740653.db2.gz QIJFYRQKCKGXOY-UHFFFAOYSA-N 1 0 414.503 0.863 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2nc(C)no2)c1 ZINC000498580205 1078742013 /nfs/dbraw/zinc/74/20/13/1078742013.db2.gz KCYAJBBNHGZEMO-UHFFFAOYSA-N 1 0 402.455 0.956 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCSC1 ZINC000498581590 1073595585 /nfs/dbraw/zinc/59/55/85/1073595585.db2.gz ZQZVCSHAMBNRBT-PBHICJAKSA-N 1 0 404.602 0.927 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCSC1 ZINC000498581591 1078742709 /nfs/dbraw/zinc/74/27/09/1078742709.db2.gz ZQZVCSHAMBNRBT-RHSMWYFYSA-N 1 0 404.602 0.927 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CCSC1 ZINC000498581592 1078742750 /nfs/dbraw/zinc/74/27/50/1078742750.db2.gz ZQZVCSHAMBNRBT-WMLDXEAASA-N 1 0 404.602 0.927 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CCSC1 ZINC000498581593 1078742653 /nfs/dbraw/zinc/74/26/53/1078742653.db2.gz ZQZVCSHAMBNRBT-YOEHRIQHSA-N 1 0 404.602 0.927 20 0 HCADRO C[NH+](C)Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 ZINC000498582121 1073596950 /nfs/dbraw/zinc/59/69/50/1073596950.db2.gz CZEWHZFOGMNASH-UHFFFAOYSA-N 1 0 420.491 0.587 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C[C@@H]1C ZINC000498582168 1078743519 /nfs/dbraw/zinc/74/35/19/1078743519.db2.gz CTDJWARQWPBPGL-KBPBESRZSA-N 1 0 402.499 0.932 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C[C@H]1C ZINC000498582171 1078743572 /nfs/dbraw/zinc/74/35/72/1078743572.db2.gz CTDJWARQWPBPGL-KGLIPLIRSA-N 1 0 402.499 0.932 20 0 HCADRO C[NH+](C)Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000498582685 1078743078 /nfs/dbraw/zinc/74/30/78/1078743078.db2.gz GVPBTSBKIGJKOM-UHFFFAOYSA-N 1 0 420.491 0.587 20 0 HCADRO CCS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)[C@H](C)C1 ZINC000498587435 1073642875 /nfs/dbraw/zinc/64/28/75/1073642875.db2.gz AAVOFQJQPGNNTB-MRXNPFEDSA-N 1 0 404.577 0.941 20 0 HCADRO C[NH+](C)CCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000498588006 1078750473 /nfs/dbraw/zinc/75/04/73/1078750473.db2.gz FUXIEBGLYUZMJW-UHFFFAOYSA-N 1 0 422.551 0.611 20 0 HCADRO CC(C)Cn1ncc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1C1CC1 ZINC000498588203 1078750080 /nfs/dbraw/zinc/75/00/80/1078750080.db2.gz CISQXLKARUNRTB-INIZCTEOSA-N 1 0 404.515 0.811 20 0 HCADRO CC(C)Cn1ncc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1C1CC1 ZINC000498588204 1078750030 /nfs/dbraw/zinc/75/00/30/1078750030.db2.gz CISQXLKARUNRTB-MRXNPFEDSA-N 1 0 404.515 0.811 20 0 HCADRO CC1(C)CC(=O)c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)ccc2O1 ZINC000498589511 1078750599 /nfs/dbraw/zinc/75/05/99/1078750599.db2.gz RLARDXHSWNCNBP-HNNXBMFYSA-N 1 0 416.478 0.825 20 0 HCADRO CC1(C)CC(=O)c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)ccc2O1 ZINC000498589512 1078750556 /nfs/dbraw/zinc/75/05/56/1078750556.db2.gz RLARDXHSWNCNBP-OAHLLOKOSA-N 1 0 416.478 0.825 20 0 HCADRO C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCCCC1 ZINC000498591104 1078753546 /nfs/dbraw/zinc/75/35/46/1078753546.db2.gz HGCXIWVXMFLXJU-UHFFFAOYSA-N 1 0 422.551 0.801 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000498591124 1078753351 /nfs/dbraw/zinc/75/33/51/1078753351.db2.gz JNMNGDIITAIAPW-CYBMUJFWSA-N 1 0 423.857 0.065 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000498591131 1078753559 /nfs/dbraw/zinc/75/35/59/1078753559.db2.gz JNMNGDIITAIAPW-ZDUSSCGKSA-N 1 0 423.857 0.065 20 0 HCADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000498593145 1078747189 /nfs/dbraw/zinc/74/71/89/1078747189.db2.gz RKUYFWKRDNQHEX-CYBMUJFWSA-N 1 0 424.885 0.963 20 0 HCADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000498593146 1078747106 /nfs/dbraw/zinc/74/71/06/1078747106.db2.gz RKUYFWKRDNQHEX-ZDUSSCGKSA-N 1 0 424.885 0.963 20 0 HCADRO COC(=O)c1cc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC000498593332 1073768672 /nfs/dbraw/zinc/76/86/72/1073768672.db2.gz ROUUNFVXRIGFPE-AWEZNQCLSA-N 1 0 424.885 0.830 20 0 HCADRO COC(=O)c1cc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(Cl)c1 ZINC000498593341 1073769501 /nfs/dbraw/zinc/76/95/01/1073769501.db2.gz ROUUNFVXRIGFPE-CQSZACIVSA-N 1 0 424.885 0.830 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000498593726 1078747338 /nfs/dbraw/zinc/74/73/38/1078747338.db2.gz UMBJGWOEBKFFOG-INIZCTEOSA-N 1 0 403.483 0.173 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000498593727 1078747242 /nfs/dbraw/zinc/74/72/42/1078747242.db2.gz UMBJGWOEBKFFOG-MRXNPFEDSA-N 1 0 403.483 0.173 20 0 HCADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@H]3C)C2=O)c1 ZINC000498593910 1078746645 /nfs/dbraw/zinc/74/66/45/1078746645.db2.gz RWOVEUHVUNMHFG-CLCXKQKWSA-N 1 0 420.510 0.906 20 0 HCADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)C2=O)c1 ZINC000498593911 1078746749 /nfs/dbraw/zinc/74/67/49/1078746749.db2.gz RWOVEUHVUNMHFG-DOXZYTNZSA-N 1 0 420.510 0.906 20 0 HCADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)C2=O)c1 ZINC000498593912 1078746786 /nfs/dbraw/zinc/74/67/86/1078746786.db2.gz RWOVEUHVUNMHFG-KHYOSLBOSA-N 1 0 420.510 0.906 20 0 HCADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)C2=O)c1 ZINC000498593913 1078746701 /nfs/dbraw/zinc/74/67/01/1078746701.db2.gz RWOVEUHVUNMHFG-VCBZYWHSSA-N 1 0 420.510 0.906 20 0 HCADRO Cc1c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)n(C)nc1C(F)(F)F ZINC000498595446 1078749478 /nfs/dbraw/zinc/74/94/78/1078749478.db2.gz ZZFITYRKSKVPNW-JTQLQIEISA-N 1 0 404.393 0.142 20 0 HCADRO Cc1c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)n(C)nc1C(F)(F)F ZINC000498595447 1078749562 /nfs/dbraw/zinc/74/95/62/1078749562.db2.gz ZZFITYRKSKVPNW-SNVBAGLBSA-N 1 0 404.393 0.142 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1 ZINC000498595532 1078749135 /nfs/dbraw/zinc/74/91/35/1078749135.db2.gz JNOGFJILJXOKBK-UHFFFAOYSA-N 1 0 417.466 0.171 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C[C@H](C)O1 ZINC000498599994 1078756838 /nfs/dbraw/zinc/75/68/38/1078756838.db2.gz LDDVVTZVIDSELB-KBPBESRZSA-N 1 0 409.512 0.457 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C[C@H](C)O1 ZINC000498599995 1078756967 /nfs/dbraw/zinc/75/69/67/1078756967.db2.gz LDDVVTZVIDSELB-OKILXGFUSA-N 1 0 409.512 0.457 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C[C@@H](C)O1 ZINC000498599996 1078757000 /nfs/dbraw/zinc/75/70/00/1078757000.db2.gz LDDVVTZVIDSELB-ZIAGYGMSSA-N 1 0 409.512 0.457 20 0 HCADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)c1 ZINC000498600838 1078758757 /nfs/dbraw/zinc/75/87/57/1078758757.db2.gz WITCNPHYQBIZEI-UHFFFAOYSA-N 1 0 411.524 0.879 20 0 HCADRO O=C(CN1CCOCC1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000498602070 1078763353 /nfs/dbraw/zinc/76/33/53/1078763353.db2.gz ABWQTNGIBRZXDU-FQEVSTJZSA-N 1 0 400.523 0.654 20 0 HCADRO O=C(CN1CCOCC1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000498602076 1078763511 /nfs/dbraw/zinc/76/35/11/1078763511.db2.gz ABWQTNGIBRZXDU-HXUWFJFHSA-N 1 0 400.523 0.654 20 0 HCADRO O=C(NCC1CC[NH+](CCO)CC1)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000498604426 1078754220 /nfs/dbraw/zinc/75/42/20/1078754220.db2.gz FPRUZRANXHGRSJ-UHFFFAOYSA-N 1 0 421.473 0.504 20 0 HCADRO O=C(NCC1CC[NH+](CCO)CC1)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000498606190 1078755341 /nfs/dbraw/zinc/75/53/41/1078755341.db2.gz XDYWSXBGMZGOII-UHFFFAOYSA-N 1 0 410.858 0.430 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](O)C2CCOCC2)c1 ZINC000498608140 1078766593 /nfs/dbraw/zinc/76/65/93/1078766593.db2.gz RHEVNXJQDKIZJG-GOSISDBHSA-N 1 0 420.510 0.809 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)c1 ZINC000498608142 1078766639 /nfs/dbraw/zinc/76/66/39/1078766639.db2.gz RHEVNXJQDKIZJG-SFHVURJKSA-N 1 0 420.510 0.809 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)Nc1cccc(F)c1Cl ZINC000498615125 1078771584 /nfs/dbraw/zinc/77/15/84/1078771584.db2.gz IPZFMZATSGIWID-UHFFFAOYSA-N 1 0 400.882 0.924 20 0 HCADRO C[NH+]1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000498618265 1078773487 /nfs/dbraw/zinc/77/34/87/1078773487.db2.gz NDHHDYJSKPSIRW-UHFFFAOYSA-N 1 0 409.537 0.866 20 0 HCADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000498618948 1078772865 /nfs/dbraw/zinc/77/28/65/1078772865.db2.gz AWGKTZSNPHXWOV-UHFFFAOYSA-N 1 0 404.577 0.847 20 0 HCADRO COc1ccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000498622108 1078770147 /nfs/dbraw/zinc/77/01/47/1078770147.db2.gz RDLBTILRYBCFPP-HNNXBMFYSA-N 1 0 424.567 0.749 20 0 HCADRO COc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000498622109 1078769938 /nfs/dbraw/zinc/76/99/38/1078769938.db2.gz RDLBTILRYBCFPP-OAHLLOKOSA-N 1 0 424.567 0.749 20 0 HCADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000498624877 1078770737 /nfs/dbraw/zinc/77/07/37/1078770737.db2.gz INIMHEKZYWYHNA-KRWDZBQOSA-N 1 0 404.577 0.941 20 0 HCADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000498624880 1078770769 /nfs/dbraw/zinc/77/07/69/1078770769.db2.gz INIMHEKZYWYHNA-QGZVFWFLSA-N 1 0 404.577 0.941 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 ZINC000498628414 1078779703 /nfs/dbraw/zinc/77/97/03/1078779703.db2.gz BQPURMBLHOZFLU-KRWDZBQOSA-N 1 0 407.559 0.973 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 ZINC000498628415 1078779586 /nfs/dbraw/zinc/77/95/86/1078779586.db2.gz BQPURMBLHOZFLU-QGZVFWFLSA-N 1 0 407.559 0.973 20 0 HCADRO C[C@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C[NH+]1CCN(C)CC1 ZINC000498628823 1078778958 /nfs/dbraw/zinc/77/89/58/1078778958.db2.gz DCDHUWQFCFGWLL-CVEARBPZSA-N 1 0 414.597 0.901 20 0 HCADRO C[C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C[NH+]1CCN(C)CC1 ZINC000498628824 1078779018 /nfs/dbraw/zinc/77/90/18/1078779018.db2.gz DCDHUWQFCFGWLL-HOTGVXAUSA-N 1 0 414.597 0.901 20 0 HCADRO C[C@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C[NH+]1CCN(C)CC1 ZINC000498628825 1078779091 /nfs/dbraw/zinc/77/90/91/1078779091.db2.gz DCDHUWQFCFGWLL-HZPDHXFCSA-N 1 0 414.597 0.901 20 0 HCADRO C[C@@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C[NH+]1CCN(C)CC1 ZINC000498628826 1078779203 /nfs/dbraw/zinc/77/92/03/1078779203.db2.gz DCDHUWQFCFGWLL-JKSUJKDBSA-N 1 0 414.597 0.901 20 0 HCADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000498630974 1078774372 /nfs/dbraw/zinc/77/43/72/1078774372.db2.gz IPHRXZNZPNZVIK-ROUUACIJSA-N 1 0 402.605 0.971 20 0 HCADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000498630978 1078774547 /nfs/dbraw/zinc/77/45/47/1078774547.db2.gz IPHRXZNZPNZVIK-ZWKOTPCHSA-N 1 0 402.605 0.971 20 0 HCADRO COc1cccc(C[C@@H](C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)n2nnnc2C)c1 ZINC000498632053 1078776762 /nfs/dbraw/zinc/77/67/62/1078776762.db2.gz YCFXVZHUXISUQH-JXFKEZNVSA-N 1 0 415.542 0.774 20 0 HCADRO COc1cccc(C[C@H](C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)n2nnnc2C)c1 ZINC000498632054 1078776791 /nfs/dbraw/zinc/77/67/91/1078776791.db2.gz YCFXVZHUXISUQH-OXJNMPFZSA-N 1 0 415.542 0.774 20 0 HCADRO COc1cccc(C[C@H](C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)n2nnnc2C)c1 ZINC000498632055 1078776990 /nfs/dbraw/zinc/77/69/90/1078776990.db2.gz YCFXVZHUXISUQH-OXQOHEQNSA-N 1 0 415.542 0.774 20 0 HCADRO COc1cccc(C[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)n2nnnc2C)c1 ZINC000498632056 1078777112 /nfs/dbraw/zinc/77/71/12/1078777112.db2.gz YCFXVZHUXISUQH-UZLBHIALSA-N 1 0 415.542 0.774 20 0 HCADRO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000498633288 1078777529 /nfs/dbraw/zinc/77/75/29/1078777529.db2.gz ZSPYAYQZSQOODW-GFCCVEGCSA-N 1 0 410.320 0.890 20 0 HCADRO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000498633299 1078777064 /nfs/dbraw/zinc/77/70/64/1078777064.db2.gz ZSPYAYQZSQOODW-LBPRGKRZSA-N 1 0 410.320 0.890 20 0 HCADRO C[NH+]1CCN(c2ccc(NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)nc2)CC1 ZINC000498634897 1078777605 /nfs/dbraw/zinc/77/76/05/1078777605.db2.gz VYMGPGBRPHCAGP-UHFFFAOYSA-N 1 0 423.271 0.497 20 0 HCADRO C[NH+](C)CCC1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC000498636737 1078781323 /nfs/dbraw/zinc/78/13/23/1078781323.db2.gz VEBWOSBUEGLGPC-UHFFFAOYSA-N 1 0 424.567 0.975 20 0 HCADRO CS(=O)(=O)C1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCOCC1 ZINC000498636793 1078781486 /nfs/dbraw/zinc/78/14/86/1078781486.db2.gz GCYKSVJPRLZXKP-UHFFFAOYSA-N 1 0 402.557 0.931 20 0 HCADRO CCc1ccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1S(C)(=O)=O ZINC000498640654 1078782451 /nfs/dbraw/zinc/78/24/51/1078782451.db2.gz VBBIOLUVGYTZHS-UHFFFAOYSA-N 1 0 411.568 0.772 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000498640941 1078782356 /nfs/dbraw/zinc/78/23/56/1078782356.db2.gz WIJCMIHUUOCUJA-UHFFFAOYSA-N 1 0 417.485 0.492 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc2)CC1 ZINC000498641247 1078782963 /nfs/dbraw/zinc/78/29/63/1078782963.db2.gz ARTFQFPCIZSYGV-HNNXBMFYSA-N 1 0 410.540 0.609 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc2)CC1 ZINC000498641248 1078782845 /nfs/dbraw/zinc/78/28/45/1078782845.db2.gz ARTFQFPCIZSYGV-OAHLLOKOSA-N 1 0 410.540 0.609 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000498645303 1078780895 /nfs/dbraw/zinc/78/08/95/1078780895.db2.gz VRLJRLFRGVCWJK-KRWDZBQOSA-N 1 0 424.567 0.756 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000498645304 1078780854 /nfs/dbraw/zinc/78/08/54/1078780854.db2.gz VRLJRLFRGVCWJK-QGZVFWFLSA-N 1 0 424.567 0.756 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000498645632 1078780722 /nfs/dbraw/zinc/78/07/22/1078780722.db2.gz KIQDAMRIBJKVRX-KDOFPFPSSA-N 1 0 411.524 0.971 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000498645633 1078780830 /nfs/dbraw/zinc/78/08/30/1078780830.db2.gz KIQDAMRIBJKVRX-KSSFIOAISA-N 1 0 411.524 0.971 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000498646390 1078790352 /nfs/dbraw/zinc/79/03/52/1078790352.db2.gz MHGOGXMBDWOPET-HZMVEIRTSA-N 1 0 401.573 0.943 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000498646391 1078790572 /nfs/dbraw/zinc/79/05/72/1078790572.db2.gz MHGOGXMBDWOPET-MWDXBVQZSA-N 1 0 401.573 0.943 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000498646392 1078791057 /nfs/dbraw/zinc/79/10/57/1078791057.db2.gz MHGOGXMBDWOPET-NXOAAHMSSA-N 1 0 401.573 0.943 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000498646393 1078791158 /nfs/dbraw/zinc/79/11/58/1078791158.db2.gz MHGOGXMBDWOPET-YLFCFFPRSA-N 1 0 401.573 0.943 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000498649500 1078783564 /nfs/dbraw/zinc/78/35/64/1078783564.db2.gz QNIQQMYZDVTQHJ-HNNXBMFYSA-N 1 0 412.556 0.844 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000498649501 1078783958 /nfs/dbraw/zinc/78/39/58/1078783958.db2.gz QNIQQMYZDVTQHJ-OAHLLOKOSA-N 1 0 412.556 0.844 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)CC[NH+](C)C)c2)CC1 ZINC000498649554 1078783975 /nfs/dbraw/zinc/78/39/75/1078783975.db2.gz RCYNRJHJEBMNEP-HNNXBMFYSA-N 1 0 410.540 0.609 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)CC[NH+](C)C)c2)CC1 ZINC000498649555 1078783933 /nfs/dbraw/zinc/78/39/33/1078783933.db2.gz RCYNRJHJEBMNEP-OAHLLOKOSA-N 1 0 410.540 0.609 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000498649661 1078783357 /nfs/dbraw/zinc/78/33/57/1078783357.db2.gz LZOMHHUPZXALJB-GOSISDBHSA-N 1 0 413.453 0.750 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000498649662 1078783456 /nfs/dbraw/zinc/78/34/56/1078783456.db2.gz LZOMHHUPZXALJB-SFHVURJKSA-N 1 0 413.453 0.750 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC000498652954 1078786561 /nfs/dbraw/zinc/78/65/61/1078786561.db2.gz PYOMCUBLWQXTMZ-GDBMZVCRSA-N 1 0 419.569 0.225 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC000498652961 1078786616 /nfs/dbraw/zinc/78/66/16/1078786616.db2.gz PYOMCUBLWQXTMZ-GOEBONIOSA-N 1 0 419.569 0.225 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC000498652964 1078786668 /nfs/dbraw/zinc/78/66/68/1078786668.db2.gz PYOMCUBLWQXTMZ-HOCLYGCPSA-N 1 0 419.569 0.225 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC000498652965 1078787047 /nfs/dbraw/zinc/78/70/47/1078787047.db2.gz PYOMCUBLWQXTMZ-ZBFHGGJFSA-N 1 0 419.569 0.225 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)NCC[N@H+](C)CCOC)c1Br ZINC000498653097 1078788249 /nfs/dbraw/zinc/78/82/49/1078788249.db2.gz BEMCZKRRAQJCDI-UHFFFAOYSA-N 1 0 415.288 0.442 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498653351 1078788236 /nfs/dbraw/zinc/78/82/36/1078788236.db2.gz BFYRKIHFJLQBIZ-CVEARBPZSA-N 1 0 416.522 0.726 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498653352 1078788296 /nfs/dbraw/zinc/78/82/96/1078788296.db2.gz BFYRKIHFJLQBIZ-HOTGVXAUSA-N 1 0 416.522 0.726 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498653353 1078788171 /nfs/dbraw/zinc/78/81/71/1078788171.db2.gz BFYRKIHFJLQBIZ-HZPDHXFCSA-N 1 0 416.522 0.726 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498653354 1078788138 /nfs/dbraw/zinc/78/81/38/1078788138.db2.gz BFYRKIHFJLQBIZ-JKSUJKDBSA-N 1 0 416.522 0.726 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1)[N@H+](C)C1CC1 ZINC000498653935 1078787651 /nfs/dbraw/zinc/78/76/51/1078787651.db2.gz CPCQVRRXZLLHML-LLVKDONJSA-N 1 0 400.476 0.613 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1)[N@H+](C)C1CC1 ZINC000498653938 1078787670 /nfs/dbraw/zinc/78/76/70/1078787670.db2.gz CPCQVRRXZLLHML-NSHDSACASA-N 1 0 400.476 0.613 20 0 HCADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498654029 1078787595 /nfs/dbraw/zinc/78/75/95/1078787595.db2.gz CYMWGUJYNNNFKA-BBWFWOEESA-N 1 0 416.522 0.868 20 0 HCADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498654033 1078787531 /nfs/dbraw/zinc/78/75/31/1078787531.db2.gz CYMWGUJYNNNFKA-GVDBMIGSSA-N 1 0 416.522 0.868 20 0 HCADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498654035 1078787643 /nfs/dbraw/zinc/78/76/43/1078787643.db2.gz CYMWGUJYNNNFKA-ULQDDVLXSA-N 1 0 416.522 0.868 20 0 HCADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498654036 1078787675 /nfs/dbraw/zinc/78/76/75/1078787675.db2.gz CYMWGUJYNNNFKA-YESZJQIVSA-N 1 0 416.522 0.868 20 0 HCADRO COc1ccc(CC(=O)N[C@@H](C)CC[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000498654744 1078788727 /nfs/dbraw/zinc/78/87/27/1078788727.db2.gz WTOOOBMZGWJOAW-HNNXBMFYSA-N 1 0 413.540 0.715 20 0 HCADRO COc1ccc(CC(=O)N[C@H](C)CC[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000498654745 1078788586 /nfs/dbraw/zinc/78/85/86/1078788586.db2.gz WTOOOBMZGWJOAW-OAHLLOKOSA-N 1 0 413.540 0.715 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000498655040 1078788619 /nfs/dbraw/zinc/78/86/19/1078788619.db2.gz GTWAPICJYHZUIZ-HNNXBMFYSA-N 1 0 421.473 0.911 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000498655042 1078788748 /nfs/dbraw/zinc/78/87/48/1078788748.db2.gz GTWAPICJYHZUIZ-OAHLLOKOSA-N 1 0 421.473 0.911 20 0 HCADRO CC(C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498655388 1078789434 /nfs/dbraw/zinc/78/94/34/1078789434.db2.gz HQOAHZBEUIXEAG-CVEARBPZSA-N 1 0 402.495 0.478 20 0 HCADRO CC(C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498655389 1078789324 /nfs/dbraw/zinc/78/93/24/1078789324.db2.gz HQOAHZBEUIXEAG-HOTGVXAUSA-N 1 0 402.495 0.478 20 0 HCADRO CC(C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498655390 1078789878 /nfs/dbraw/zinc/78/98/78/1078789878.db2.gz HQOAHZBEUIXEAG-HZPDHXFCSA-N 1 0 402.495 0.478 20 0 HCADRO CC(C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498655391 1078790022 /nfs/dbraw/zinc/79/00/22/1078790022.db2.gz HQOAHZBEUIXEAG-JKSUJKDBSA-N 1 0 402.495 0.478 20 0 HCADRO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000498655414 1078789937 /nfs/dbraw/zinc/78/99/37/1078789937.db2.gz BDKPWIQLTCWMIJ-INIZCTEOSA-N 1 0 402.495 0.315 20 0 HCADRO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000498655417 1078789986 /nfs/dbraw/zinc/78/99/86/1078789986.db2.gz BDKPWIQLTCWMIJ-MRXNPFEDSA-N 1 0 402.495 0.315 20 0 HCADRO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000498655485 1078789243 /nfs/dbraw/zinc/78/92/43/1078789243.db2.gz BHIHCAAMDNGPOF-KRWDZBQOSA-N 1 0 416.522 0.705 20 0 HCADRO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000498655487 1078789365 /nfs/dbraw/zinc/78/93/65/1078789365.db2.gz BHIHCAAMDNGPOF-QGZVFWFLSA-N 1 0 416.522 0.705 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@@H]4C3)c(C)c2)CC1 ZINC000498655965 1078789340 /nfs/dbraw/zinc/78/93/40/1078789340.db2.gz BXZBLIRNAIAQMV-GOSISDBHSA-N 1 0 413.522 0.909 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@H]4C3)c(C)c2)CC1 ZINC000498655966 1078789450 /nfs/dbraw/zinc/78/94/50/1078789450.db2.gz BXZBLIRNAIAQMV-SFHVURJKSA-N 1 0 413.522 0.909 20 0 HCADRO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000498655977 1078789223 /nfs/dbraw/zinc/78/92/23/1078789223.db2.gz CBQXRWNXANMLTB-HNNXBMFYSA-N 1 0 420.535 0.226 20 0 HCADRO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000498655978 1078789463 /nfs/dbraw/zinc/78/94/63/1078789463.db2.gz CBQXRWNXANMLTB-OAHLLOKOSA-N 1 0 420.535 0.226 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@H]4C3)cc2)CC1 ZINC000498657014 1078789829 /nfs/dbraw/zinc/78/98/29/1078789829.db2.gz FOMLLZLLVKVYRX-IBGZPJMESA-N 1 0 413.522 0.596 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@@H]4C3)cc2)CC1 ZINC000498657015 1078790059 /nfs/dbraw/zinc/79/00/59/1078790059.db2.gz FOMLLZLLVKVYRX-LJQANCHMSA-N 1 0 413.522 0.596 20 0 HCADRO CCCCCC(=O)NC1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000498657851 1078793736 /nfs/dbraw/zinc/79/37/36/1078793736.db2.gz AHOYHRIHCLCDPS-UHFFFAOYSA-N 1 0 418.542 0.985 20 0 HCADRO O=C(NCC[NH+]1CCCC1)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498658774 1078794788 /nfs/dbraw/zinc/79/47/88/1078794788.db2.gz OXTJMUZXDMCVTP-CVEARBPZSA-N 1 0 400.479 0.234 20 0 HCADRO O=C(NCC[NH+]1CCCC1)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498658775 1078794646 /nfs/dbraw/zinc/79/46/46/1078794646.db2.gz OXTJMUZXDMCVTP-HOTGVXAUSA-N 1 0 400.479 0.234 20 0 HCADRO O=C(NCC[NH+]1CCCC1)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498658776 1078794737 /nfs/dbraw/zinc/79/47/37/1078794737.db2.gz OXTJMUZXDMCVTP-HZPDHXFCSA-N 1 0 400.479 0.234 20 0 HCADRO O=C(NCC[NH+]1CCCC1)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498658777 1078795244 /nfs/dbraw/zinc/79/52/44/1078795244.db2.gz OXTJMUZXDMCVTP-JKSUJKDBSA-N 1 0 400.479 0.234 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)ccc1F ZINC000498659780 1078795186 /nfs/dbraw/zinc/79/51/86/1078795186.db2.gz FRHOLCDCNDCIGM-UHFFFAOYSA-N 1 0 402.492 0.719 20 0 HCADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000498660377 1078796925 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C[N@@H+]1CC[C@H](CNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000498674424 1078807969 /nfs/dbraw/zinc/80/79/69/1078807969.db2.gz IKEYGIPNAGFDFY-OAGGEKHMSA-N 1 0 400.479 0.090 20 0 HCADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000498674425 1078807945 /nfs/dbraw/zinc/80/79/45/1078807945.db2.gz IKEYGIPNAGFDFY-OWCLPIDISA-N 1 0 400.479 0.090 20 0 HCADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000498674426 1078807963 /nfs/dbraw/zinc/80/79/63/1078807963.db2.gz IKEYGIPNAGFDFY-PMPSAXMXSA-N 1 0 400.479 0.090 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](O)[C@@H]2CCOC2)c1 ZINC000498674719 1078807923 /nfs/dbraw/zinc/80/79/23/1078807923.db2.gz ZAPHURMEICLGEL-PBHICJAKSA-N 1 0 406.483 0.419 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](O)[C@@H]2CCOC2)c1 ZINC000498674721 1078807906 /nfs/dbraw/zinc/80/79/06/1078807906.db2.gz ZAPHURMEICLGEL-RHSMWYFYSA-N 1 0 406.483 0.419 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](O)[C@H]2CCOC2)c1 ZINC000498674723 1078808009 /nfs/dbraw/zinc/80/80/09/1078808009.db2.gz ZAPHURMEICLGEL-WMLDXEAASA-N 1 0 406.483 0.419 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](O)[C@H]2CCOC2)c1 ZINC000498674724 1078807984 /nfs/dbraw/zinc/80/79/84/1078807984.db2.gz ZAPHURMEICLGEL-YOEHRIQHSA-N 1 0 406.483 0.419 20 0 HCADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000498675896 1078808678 /nfs/dbraw/zinc/80/86/78/1078808678.db2.gz BMMQYHHHLLFOTP-MSOLQXFVSA-N 1 0 401.511 0.403 20 0 HCADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000498675897 1078808591 /nfs/dbraw/zinc/80/85/91/1078808591.db2.gz BMMQYHHHLLFOTP-QZTJIDSGSA-N 1 0 401.511 0.403 20 0 HCADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000498675898 1078808620 /nfs/dbraw/zinc/80/86/20/1078808620.db2.gz BMMQYHHHLLFOTP-ROUUACIJSA-N 1 0 401.511 0.403 20 0 HCADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000498675899 1078808581 /nfs/dbraw/zinc/80/85/81/1078808581.db2.gz BMMQYHHHLLFOTP-ZWKOTPCHSA-N 1 0 401.511 0.403 20 0 HCADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000498676958 1078809289 /nfs/dbraw/zinc/80/92/89/1078809289.db2.gz GMZDZQCOBVVGBQ-INIZCTEOSA-N 1 0 420.510 0.397 20 0 HCADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000498676959 1078809259 /nfs/dbraw/zinc/80/92/59/1078809259.db2.gz GMZDZQCOBVVGBQ-MRXNPFEDSA-N 1 0 420.510 0.397 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCOC4(CCC4)C3)ccc2oc1=O ZINC000498680250 1078818614 /nfs/dbraw/zinc/81/86/14/1078818614.db2.gz UNUKFLVQRKOEQM-UHFFFAOYSA-N 1 0 402.451 0.876 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498681004 1078818868 /nfs/dbraw/zinc/81/88/68/1078818868.db2.gz CWTLSMUDKAHJRQ-DOTOQJQBSA-N 1 0 423.473 0.067 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498681006 1078818974 /nfs/dbraw/zinc/81/89/74/1078818974.db2.gz CWTLSMUDKAHJRQ-NVXWUHKLSA-N 1 0 423.473 0.067 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498681007 1078818887 /nfs/dbraw/zinc/81/88/87/1078818887.db2.gz CWTLSMUDKAHJRQ-RDJZCZTQSA-N 1 0 423.473 0.067 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498681008 1078818919 /nfs/dbraw/zinc/81/89/19/1078818919.db2.gz CWTLSMUDKAHJRQ-WBVHZDCISA-N 1 0 423.473 0.067 20 0 HCADRO O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000498681542 1078811924 /nfs/dbraw/zinc/81/19/24/1078811924.db2.gz NEMGLZKLXGEPPL-UHFFFAOYSA-N 1 0 410.858 0.572 20 0 HCADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000498684280 1078814274 /nfs/dbraw/zinc/81/42/74/1078814274.db2.gz ZJMWKWWRUAPVHT-CVEARBPZSA-N 1 0 403.483 0.524 20 0 HCADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000498684281 1078814334 /nfs/dbraw/zinc/81/43/34/1078814334.db2.gz ZJMWKWWRUAPVHT-HOTGVXAUSA-N 1 0 403.483 0.524 20 0 HCADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000498684282 1078814308 /nfs/dbraw/zinc/81/43/08/1078814308.db2.gz ZJMWKWWRUAPVHT-HZPDHXFCSA-N 1 0 403.483 0.524 20 0 HCADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000498684283 1078814201 /nfs/dbraw/zinc/81/42/01/1078814201.db2.gz ZJMWKWWRUAPVHT-JKSUJKDBSA-N 1 0 403.483 0.524 20 0 HCADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)n(C)nc1C(F)(F)F ZINC000498684597 1078813702 /nfs/dbraw/zinc/81/37/02/1078813702.db2.gz PVGUYJGRMVGIRV-LLVKDONJSA-N 1 0 404.437 0.686 20 0 HCADRO Cc1c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)n(C)nc1C(F)(F)F ZINC000498684598 1078813558 /nfs/dbraw/zinc/81/35/58/1078813558.db2.gz PVGUYJGRMVGIRV-NSHDSACASA-N 1 0 404.437 0.686 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000498684792 1078813978 /nfs/dbraw/zinc/81/39/78/1078813978.db2.gz QVLKFTNELHHBHQ-UHFFFAOYSA-N 1 0 405.405 0.785 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000498686166 1078821414 /nfs/dbraw/zinc/82/14/14/1078821414.db2.gz FJNKGSCHWHSZPU-UHFFFAOYSA-N 1 0 406.464 0.224 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2)C[NH+]1CCN(C)CC1 ZINC000498686777 1078815542 /nfs/dbraw/zinc/81/55/42/1078815542.db2.gz YCDADQHLPRBXPI-GFCCVEGCSA-N 1 0 423.901 0.609 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2)C[NH+]1CCN(C)CC1 ZINC000498686784 1078815601 /nfs/dbraw/zinc/81/56/01/1078815601.db2.gz YCDADQHLPRBXPI-LBPRGKRZSA-N 1 0 423.901 0.609 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000498687097 1078822545 /nfs/dbraw/zinc/82/25/45/1078822545.db2.gz ZJPDFPDYSNRDQA-INIZCTEOSA-N 1 0 403.527 0.717 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000498687104 1078822499 /nfs/dbraw/zinc/82/24/99/1078822499.db2.gz ZJPDFPDYSNRDQA-MRXNPFEDSA-N 1 0 403.527 0.717 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21)C1CC1 ZINC000498687216 1078822424 /nfs/dbraw/zinc/82/24/24/1078822424.db2.gz INZNUNGGKUVSSK-FRQCXROJSA-N 1 0 414.506 0.478 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21)C1CC1 ZINC000498687217 1078822485 /nfs/dbraw/zinc/82/24/85/1078822485.db2.gz INZNUNGGKUVSSK-GPMSIDNRSA-N 1 0 414.506 0.478 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21)C1CC1 ZINC000498687218 1078822443 /nfs/dbraw/zinc/82/24/43/1078822443.db2.gz INZNUNGGKUVSSK-JTDSTZFVSA-N 1 0 414.506 0.478 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21)C1CC1 ZINC000498687219 1078822528 /nfs/dbraw/zinc/82/25/28/1078822528.db2.gz INZNUNGGKUVSSK-TXPKVOOTSA-N 1 0 414.506 0.478 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000498687901 1078821734 /nfs/dbraw/zinc/82/17/34/1078821734.db2.gz DFZZVWWZLBNZAD-UHFFFAOYSA-N 1 0 400.414 0.729 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1Br ZINC000498688152 1078822448 /nfs/dbraw/zinc/82/24/48/1078822448.db2.gz FPDREVVVPYDTFN-UHFFFAOYSA-N 1 0 420.267 0.792 20 0 HCADRO CCCCCC(=O)NC1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000498689013 1078822815 /nfs/dbraw/zinc/82/28/15/1078822815.db2.gz QWOZSIXQZLUAFG-UHFFFAOYSA-N 1 0 404.515 0.595 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1F ZINC000498689193 1078823470 /nfs/dbraw/zinc/82/34/70/1078823470.db2.gz RQKWUKZDNPWISP-CYBMUJFWSA-N 1 0 414.503 0.909 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1F ZINC000498689194 1078823457 /nfs/dbraw/zinc/82/34/57/1078823457.db2.gz RQKWUKZDNPWISP-ZDUSSCGKSA-N 1 0 414.503 0.909 20 0 HCADRO CCOC(=O)C(C)(C)c1csc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)n1 ZINC000498689736 1078823248 /nfs/dbraw/zinc/82/32/48/1078823248.db2.gz NPZWAHWCSIADGN-UHFFFAOYSA-N 1 0 405.480 0.968 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)ccc1F ZINC000498690031 1078823272 /nfs/dbraw/zinc/82/32/72/1078823272.db2.gz PRCOXGSOEWMULM-UHFFFAOYSA-N 1 0 409.443 0.060 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc1F ZINC000498690795 1078823843 /nfs/dbraw/zinc/82/38/43/1078823843.db2.gz YXJYMISJDQOCFH-AWEZNQCLSA-N 1 0 400.476 0.471 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1F ZINC000498690796 1078824140 /nfs/dbraw/zinc/82/41/40/1078824140.db2.gz YXJYMISJDQOCFH-CQSZACIVSA-N 1 0 400.476 0.471 20 0 HCADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1 ZINC000498691652 1078824825 /nfs/dbraw/zinc/82/48/25/1078824825.db2.gz VWEICAKXIGTCKN-UHFFFAOYSA-N 1 0 414.503 0.911 20 0 HCADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000498695017 1078820158 /nfs/dbraw/zinc/82/01/58/1078820158.db2.gz MCDCNSTZGIPRAV-KBPBESRZSA-N 1 0 417.466 0.126 20 0 HCADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000498695019 1078820138 /nfs/dbraw/zinc/82/01/38/1078820138.db2.gz MCDCNSTZGIPRAV-KGLIPLIRSA-N 1 0 417.466 0.126 20 0 HCADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000498695020 1078820097 /nfs/dbraw/zinc/82/00/97/1078820097.db2.gz MCDCNSTZGIPRAV-UONOGXRCSA-N 1 0 417.466 0.126 20 0 HCADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000498695021 1078820152 /nfs/dbraw/zinc/82/01/52/1078820152.db2.gz MCDCNSTZGIPRAV-ZIAGYGMSSA-N 1 0 417.466 0.126 20 0 HCADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000498695254 1078828589 /nfs/dbraw/zinc/82/85/89/1078828589.db2.gz GRXHEGAXXOHWDJ-CVEARBPZSA-N 1 0 403.483 0.546 20 0 HCADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000498695255 1078828673 /nfs/dbraw/zinc/82/86/73/1078828673.db2.gz GRXHEGAXXOHWDJ-HOTGVXAUSA-N 1 0 403.483 0.546 20 0 HCADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000498695256 1078828636 /nfs/dbraw/zinc/82/86/36/1078828636.db2.gz GRXHEGAXXOHWDJ-HZPDHXFCSA-N 1 0 403.483 0.546 20 0 HCADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000498695258 1078828642 /nfs/dbraw/zinc/82/86/42/1078828642.db2.gz GRXHEGAXXOHWDJ-JKSUJKDBSA-N 1 0 403.483 0.546 20 0 HCADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@H]4C3)cn2)CC1 ZINC000498695589 1078822076 /nfs/dbraw/zinc/82/20/76/1078822076.db2.gz QRVGVVWKQPJXCN-HNNXBMFYSA-N 1 0 401.467 0.326 20 0 HCADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@@H]4C3)cn2)CC1 ZINC000498695590 1078822094 /nfs/dbraw/zinc/82/20/94/1078822094.db2.gz QRVGVVWKQPJXCN-OAHLLOKOSA-N 1 0 401.467 0.326 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000498700519 1078826844 /nfs/dbraw/zinc/82/68/44/1078826844.db2.gz GCFZTKCWYPWDHI-INIZCTEOSA-N 1 0 401.467 0.349 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000498700520 1078826816 /nfs/dbraw/zinc/82/68/16/1078826816.db2.gz GCFZTKCWYPWDHI-MRXNPFEDSA-N 1 0 401.467 0.349 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H]3C(=O)NC)cc2)CC1 ZINC000498700526 1078826855 /nfs/dbraw/zinc/82/68/55/1078826855.db2.gz GHGAGVYOSAVQOY-MOPGFXCFSA-N 1 0 415.538 0.794 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C(=O)NC)cc2)CC1 ZINC000498700527 1078826802 /nfs/dbraw/zinc/82/68/02/1078826802.db2.gz GHGAGVYOSAVQOY-OALUTQOASA-N 1 0 415.538 0.794 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C(=O)NC)cc2)CC1 ZINC000498700528 1078826822 /nfs/dbraw/zinc/82/68/22/1078826822.db2.gz GHGAGVYOSAVQOY-RBUKOAKNSA-N 1 0 415.538 0.794 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3C(=O)NC)cc2)CC1 ZINC000498700529 1078826764 /nfs/dbraw/zinc/82/67/64/1078826764.db2.gz GHGAGVYOSAVQOY-RTBURBONSA-N 1 0 415.538 0.794 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[N@@H+](C)CC[C@@H]3C)c2)CC1 ZINC000498705688 1078835908 /nfs/dbraw/zinc/83/59/08/1078835908.db2.gz JBFCGENQBDRQPB-INIZCTEOSA-N 1 0 422.551 0.706 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[N@@H+](C)CC[C@H]3C)c2)CC1 ZINC000498705689 1078836029 /nfs/dbraw/zinc/83/60/29/1078836029.db2.gz JBFCGENQBDRQPB-MRXNPFEDSA-N 1 0 422.551 0.706 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[N@@H+](C)CC[C@H]3C)CC2)cc1 ZINC000498708655 1078832766 /nfs/dbraw/zinc/83/27/66/1078832766.db2.gz VWVBJMYYRGADFA-GOSISDBHSA-N 1 0 408.568 0.854 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[N@@H+](C)CC[C@@H]3C)CC2)cc1 ZINC000498708656 1078832817 /nfs/dbraw/zinc/83/28/17/1078832817.db2.gz VWVBJMYYRGADFA-SFHVURJKSA-N 1 0 408.568 0.854 20 0 HCADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[N@@H+](C)CC[C@H]3C)CC2)c1 ZINC000498715049 1078838200 /nfs/dbraw/zinc/83/82/00/1078838200.db2.gz IEUJAZZTEASVII-GOSISDBHSA-N 1 0 408.568 0.999 20 0 HCADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[N@@H+](C)CC[C@@H]3C)CC2)c1 ZINC000498715050 1078838225 /nfs/dbraw/zinc/83/82/25/1078838225.db2.gz IEUJAZZTEASVII-SFHVURJKSA-N 1 0 408.568 0.999 20 0 HCADRO COc1ccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000498716229 1078838912 /nfs/dbraw/zinc/83/89/12/1078838912.db2.gz KLKGTSMPDLXTMZ-HNNXBMFYSA-N 1 0 411.524 0.882 20 0 HCADRO COc1ccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000498716232 1078838753 /nfs/dbraw/zinc/83/87/53/1078838753.db2.gz KLKGTSMPDLXTMZ-OAHLLOKOSA-N 1 0 411.524 0.882 20 0 HCADRO C[C@H]1CC[N@H+](C)CCN1C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000498718408 1078839544 /nfs/dbraw/zinc/83/95/44/1078839544.db2.gz CISUHAAVBRKLJE-AWEZNQCLSA-N 1 0 401.554 0.999 20 0 HCADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000498718409 1078839590 /nfs/dbraw/zinc/83/95/90/1078839590.db2.gz CISUHAAVBRKLJE-CQSZACIVSA-N 1 0 401.554 0.999 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCC2CCS(=O)(=O)CC2)CC1 ZINC000498723011 1078841034 /nfs/dbraw/zinc/84/10/34/1078841034.db2.gz SCYOTHOPAOMOGB-UHFFFAOYSA-N 1 0 418.585 0.984 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[N@@H+](C)CC[C@@H]3C)cc2)CC1 ZINC000498725065 1078842333 /nfs/dbraw/zinc/84/23/33/1078842333.db2.gz GEBGAXMWYVCIPE-INIZCTEOSA-N 1 0 422.551 0.706 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[N@@H+](C)CC[C@H]3C)cc2)CC1 ZINC000498725066 1078842378 /nfs/dbraw/zinc/84/23/78/1078842378.db2.gz GEBGAXMWYVCIPE-MRXNPFEDSA-N 1 0 422.551 0.706 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000498732838 1078843868 /nfs/dbraw/zinc/84/38/68/1078843868.db2.gz BKXLGRZGMRSZEM-HNNXBMFYSA-N 1 0 411.524 0.882 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000498732840 1078843909 /nfs/dbraw/zinc/84/39/09/1078843909.db2.gz BKXLGRZGMRSZEM-OAHLLOKOSA-N 1 0 411.524 0.882 20 0 HCADRO CC[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000498736333 1078848182 /nfs/dbraw/zinc/84/81/82/1078848182.db2.gz FTZJEPRIWKJKID-UHFFFAOYSA-N 1 0 415.512 0.406 20 0 HCADRO CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000498736450 1078847701 /nfs/dbraw/zinc/84/77/01/1078847701.db2.gz GMEUWAXJQPHVQE-UHFFFAOYSA-N 1 0 424.567 0.444 20 0 HCADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000498737769 1078848508 /nfs/dbraw/zinc/84/85/08/1078848508.db2.gz OFLJWDNKIRNDBM-INIZCTEOSA-N 1 0 424.567 0.940 20 0 HCADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000498737775 1078848478 /nfs/dbraw/zinc/84/84/78/1078848478.db2.gz OFLJWDNKIRNDBM-MRXNPFEDSA-N 1 0 424.567 0.940 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC[N@H+](C)CC)o1 ZINC000498738054 1078848108 /nfs/dbraw/zinc/84/81/08/1078848108.db2.gz AIHVFPKVENEFNZ-CYBMUJFWSA-N 1 0 401.485 0.677 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC[N@H+](C)CC)o1 ZINC000498738055 1078848550 /nfs/dbraw/zinc/84/85/50/1078848550.db2.gz AIHVFPKVENEFNZ-ZDUSSCGKSA-N 1 0 401.485 0.677 20 0 HCADRO Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C2=O ZINC000498738079 1078848581 /nfs/dbraw/zinc/84/85/81/1078848581.db2.gz AZNHYISJUQJPMR-UHFFFAOYSA-N 1 0 400.479 0.507 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000498738379 1078848827 /nfs/dbraw/zinc/84/88/27/1078848827.db2.gz LTTWIVNTFOOJRS-UHFFFAOYSA-N 1 0 415.469 0.902 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000498738915 1078848937 /nfs/dbraw/zinc/84/89/37/1078848937.db2.gz FYPPKKRXAXXAGZ-UHFFFAOYSA-N 1 0 422.551 0.657 20 0 HCADRO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000498738942 1078848855 /nfs/dbraw/zinc/84/88/55/1078848855.db2.gz GJEAVOOONBOQGL-UHFFFAOYSA-N 1 0 424.567 0.903 20 0 HCADRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000498739296 1078849294 /nfs/dbraw/zinc/84/92/94/1078849294.db2.gz TWJVEGZVKVNRPS-AWEZNQCLSA-N 1 0 401.554 0.864 20 0 HCADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000498739298 1078849244 /nfs/dbraw/zinc/84/92/44/1078849244.db2.gz TWJVEGZVKVNRPS-CQSZACIVSA-N 1 0 401.554 0.864 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000498739582 1078848843 /nfs/dbraw/zinc/84/88/43/1078848843.db2.gz ITRISBCYPOFWIG-UHFFFAOYSA-N 1 0 400.479 0.589 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000498740362 1078849369 /nfs/dbraw/zinc/84/93/69/1078849369.db2.gz NUKBQKOOXKUOAN-UHFFFAOYSA-N 1 0 410.540 0.467 20 0 HCADRO Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C2=O ZINC000498740388 1078849340 /nfs/dbraw/zinc/84/93/40/1078849340.db2.gz OFTCHJZRTCJXRE-HNNXBMFYSA-N 1 0 414.506 0.896 20 0 HCADRO Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C2=O ZINC000498740389 1078849212 /nfs/dbraw/zinc/84/92/12/1078849212.db2.gz OFTCHJZRTCJXRE-OAHLLOKOSA-N 1 0 414.506 0.896 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000498740429 1078849205 /nfs/dbraw/zinc/84/92/05/1078849205.db2.gz OMKDKPKRXLBDNL-UHFFFAOYSA-N 1 0 410.540 0.271 20 0 HCADRO CC[N@H+](C)CCNC(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000498740438 1078849374 /nfs/dbraw/zinc/84/93/74/1078849374.db2.gz ONVGFYOYMUMKKB-UHFFFAOYSA-N 1 0 424.523 0.837 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)CC1 ZINC000498740783 1078849409 /nfs/dbraw/zinc/84/94/09/1078849409.db2.gz PYSYQGPRJDGIPS-UHFFFAOYSA-N 1 0 405.890 0.846 20 0 HCADRO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000498740848 1078849262 /nfs/dbraw/zinc/84/92/62/1078849262.db2.gz QPLOFEWUBNYMSV-GOSISDBHSA-N 1 0 403.527 0.752 20 0 HCADRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000498740849 1078849420 /nfs/dbraw/zinc/84/94/20/1078849420.db2.gz QPLOFEWUBNYMSV-SFHVURJKSA-N 1 0 403.527 0.752 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1 ZINC000498741253 1078850017 /nfs/dbraw/zinc/85/00/17/1078850017.db2.gz UABACJPZJUIMTQ-UHFFFAOYSA-N 1 0 421.523 0.268 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000498741317 1078850131 /nfs/dbraw/zinc/85/01/31/1078850131.db2.gz YEPPEBGPHWVWNU-UHFFFAOYSA-N 1 0 415.494 0.409 20 0 HCADRO CCn1c(=O)[nH]c2cc(C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)ccc2c1=O ZINC000498741527 1078849776 /nfs/dbraw/zinc/84/97/76/1078849776.db2.gz ZJPRAIHDIKQQER-UHFFFAOYSA-N 1 0 415.494 0.652 20 0 HCADRO CCn1c2ccc(C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)cc2[nH]c(=O)c1=O ZINC000498741643 1078849764 /nfs/dbraw/zinc/84/97/64/1078849764.db2.gz XBYQNMHCQNIZLV-UHFFFAOYSA-N 1 0 415.494 0.240 20 0 HCADRO C[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000498741685 1078849797 /nfs/dbraw/zinc/84/97/97/1078849797.db2.gz XVWOZROAUNNFTQ-BHYGNILZSA-N 1 0 406.527 0.467 20 0 HCADRO C[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000498741686 1078849760 /nfs/dbraw/zinc/84/97/60/1078849760.db2.gz XVWOZROAUNNFTQ-DJIMGWMZSA-N 1 0 406.527 0.467 20 0 HCADRO C[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000498741687 1078849671 /nfs/dbraw/zinc/84/96/71/1078849671.db2.gz XVWOZROAUNNFTQ-OIISXLGYSA-N 1 0 406.527 0.467 20 0 HCADRO C[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000498741688 1078849772 /nfs/dbraw/zinc/84/97/72/1078849772.db2.gz XVWOZROAUNNFTQ-PVAVHDDUSA-N 1 0 406.527 0.467 20 0 HCADRO COc1ccnc(N2CCC(C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)CC2)n1 ZINC000498741741 1078849731 /nfs/dbraw/zinc/84/97/31/1078849731.db2.gz YZNWWKDNGRAWMX-UHFFFAOYSA-N 1 0 418.542 0.618 20 0 HCADRO CC[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000498745236 1078854257 /nfs/dbraw/zinc/85/42/57/1078854257.db2.gz MIURSYBHOUXINY-UHFFFAOYSA-N 1 0 422.507 0.643 20 0 HCADRO CC[N@H+](C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000498745337 1078854668 /nfs/dbraw/zinc/85/46/68/1078854668.db2.gz BFZZSOLAAUVYOI-UHFFFAOYSA-N 1 0 424.567 0.676 20 0 HCADRO Cc1ccc(CCC(=O)NCC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000498745579 1078854295 /nfs/dbraw/zinc/85/42/95/1078854295.db2.gz BVTGAANSOPCAAB-UHFFFAOYSA-N 1 0 402.539 0.960 20 0 HCADRO CN(CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)S(=O)(=O)c1ccccc1 ZINC000498746548 1078855599 /nfs/dbraw/zinc/85/55/99/1078855599.db2.gz GVFOFIRFMXWUIE-UHFFFAOYSA-N 1 0 410.540 0.224 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000498746785 1078854894 /nfs/dbraw/zinc/85/48/94/1078854894.db2.gz HRMASAUTDMQLNJ-INIZCTEOSA-N 1 0 403.483 0.642 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000498746786 1078854838 /nfs/dbraw/zinc/85/48/38/1078854838.db2.gz HRMASAUTDMQLNJ-MRXNPFEDSA-N 1 0 403.483 0.642 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1 ZINC000498747757 1078855612 /nfs/dbraw/zinc/85/56/12/1078855612.db2.gz UUQRINBVRWGRGP-UHFFFAOYSA-N 1 0 415.582 0.721 20 0 HCADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1 ZINC000498747788 1078855677 /nfs/dbraw/zinc/85/56/77/1078855677.db2.gz VKCNVZNKWYHNAX-UHFFFAOYSA-N 1 0 400.476 0.663 20 0 HCADRO C[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)N1CCN(C)CC1 ZINC000498748343 1078851186 /nfs/dbraw/zinc/85/11/86/1078851186.db2.gz NBIOLNCZUGFZIK-IBGZPJMESA-N 1 0 407.603 0.853 20 0 HCADRO C[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)N1CCN(C)CC1 ZINC000498748344 1078851207 /nfs/dbraw/zinc/85/12/07/1078851207.db2.gz NBIOLNCZUGFZIK-LJQANCHMSA-N 1 0 407.603 0.853 20 0 HCADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000498748607 1078851168 /nfs/dbraw/zinc/85/11/68/1078851168.db2.gz XODOFVAIQWVKRC-UHFFFAOYSA-N 1 0 402.542 0.234 20 0 HCADRO CC[N@H+](C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000498750015 1078851809 /nfs/dbraw/zinc/85/18/09/1078851809.db2.gz BCJARNAPKKGAEA-UHFFFAOYSA-N 1 0 410.540 0.368 20 0 HCADRO Cn1nnnc1SCCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000498750170 1078852468 /nfs/dbraw/zinc/85/24/68/1078852468.db2.gz VESTUVWKSIUTPN-UHFFFAOYSA-N 1 0 423.587 0.923 20 0 HCADRO CC[N@H+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000498750517 1078852402 /nfs/dbraw/zinc/85/24/02/1078852402.db2.gz WAZJMKPQPSRIHA-UHFFFAOYSA-N 1 0 411.524 0.942 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CS(=O)(=O)CCCc2ccccc2)CC1 ZINC000498750718 1078852150 /nfs/dbraw/zinc/85/21/50/1078852150.db2.gz DIRDHDYOCXXDQV-UHFFFAOYSA-N 1 0 423.579 0.950 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000498750736 1078852170 /nfs/dbraw/zinc/85/21/70/1078852170.db2.gz DNRZLKOMOGYWGA-UHFFFAOYSA-N 1 0 415.494 0.409 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC000498751023 1078852176 /nfs/dbraw/zinc/85/21/76/1078852176.db2.gz XWFCQKABXDTWNV-CVEARBPZSA-N 1 0 413.544 0.405 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC000498751024 1078852166 /nfs/dbraw/zinc/85/21/66/1078852166.db2.gz XWFCQKABXDTWNV-HOTGVXAUSA-N 1 0 413.544 0.405 20 0 HCADRO 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404.558 0.594 20 0 HCADRO COCc1nc2n(n1)C[C@@H]([NH2+]C1CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC1)CC2 ZINC000498768039 1078861876 /nfs/dbraw/zinc/86/18/76/1078861876.db2.gz JZVWFKKYBPAVOL-HNNXBMFYSA-N 1 0 423.543 0.522 20 0 HCADRO COCc1nc2n(n1)C[C@H]([NH2+]C1CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC1)CC2 ZINC000498768043 1078861885 /nfs/dbraw/zinc/86/18/85/1078861885.db2.gz JZVWFKKYBPAVOL-OAHLLOKOSA-N 1 0 423.543 0.522 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)c1 ZINC000498769084 1078861791 /nfs/dbraw/zinc/86/17/91/1078861791.db2.gz QKHINXXLZUEPKL-INIZCTEOSA-N 1 0 419.526 0.742 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCOC[C@H]2C)c1 ZINC000498769085 1078861870 /nfs/dbraw/zinc/86/18/70/1078861870.db2.gz QKHINXXLZUEPKL-MRXNPFEDSA-N 1 0 419.526 0.742 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000498770014 1078863380 /nfs/dbraw/zinc/86/33/80/1078863380.db2.gz PFGMOFMOQDPZLS-OAHLLOKOSA-N 1 0 419.573 0.193 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)ccc1F ZINC000498773032 1078870449 /nfs/dbraw/zinc/87/04/49/1078870449.db2.gz DFFPBIAYEZGMOE-UHFFFAOYSA-N 1 0 400.476 0.473 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCS(=O)(=O)NC(C)C)CC1 ZINC000498775726 1078872299 /nfs/dbraw/zinc/87/22/99/1078872299.db2.gz VLFVSIORXISMNS-UHFFFAOYSA-N 1 0 407.562 0.097 20 0 HCADRO COC(=O)c1c(C)csc1NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000498778900 1078867487 /nfs/dbraw/zinc/86/74/87/1078867487.db2.gz BWWYCEIFWINVLS-UHFFFAOYSA-N 1 0 424.523 0.841 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000498779553 1078868424 /nfs/dbraw/zinc/86/84/24/1078868424.db2.gz FHMAVOKYELSCDI-CYBMUJFWSA-N 1 0 411.453 0.102 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000498779554 1078868483 /nfs/dbraw/zinc/86/84/83/1078868483.db2.gz FHMAVOKYELSCDI-ZDUSSCGKSA-N 1 0 411.453 0.102 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O)c1 ZINC000498781314 1078876314 /nfs/dbraw/zinc/87/63/14/1078876314.db2.gz LXCXJTSIVIUCLA-CYBMUJFWSA-N 1 0 412.512 0.455 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)c1 ZINC000498781515 1078875723 /nfs/dbraw/zinc/87/57/23/1078875723.db2.gz LXCXJTSIVIUCLA-ZDUSSCGKSA-N 1 0 412.512 0.455 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000498782545 1078876646 /nfs/dbraw/zinc/87/66/46/1078876646.db2.gz GCQHFMRGBOAZIR-UHFFFAOYSA-N 1 0 424.885 0.915 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1F ZINC000498783152 1078876294 /nfs/dbraw/zinc/87/62/94/1078876294.db2.gz HALYGTZEWNXVBZ-AWEZNQCLSA-N 1 0 412.487 0.759 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1F ZINC000498783158 1078876300 /nfs/dbraw/zinc/87/63/00/1078876300.db2.gz HALYGTZEWNXVBZ-CQSZACIVSA-N 1 0 412.487 0.759 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1nc2ncc(Br)cn2n1 ZINC000498783771 1078877343 /nfs/dbraw/zinc/87/73/43/1078877343.db2.gz YKLJDQBWEGEPMO-UHFFFAOYSA-N 1 0 410.320 0.985 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)n(C)nc1C(F)(F)F ZINC000498783966 1078876927 /nfs/dbraw/zinc/87/69/27/1078876927.db2.gz IPJDZZQTMXXABW-UHFFFAOYSA-N 1 0 405.421 0.991 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000498784076 1078876893 /nfs/dbraw/zinc/87/68/93/1078876893.db2.gz BUCPQURWDJRYQR-AWEZNQCLSA-N 1 0 406.462 0.046 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000498784087 1078876973 /nfs/dbraw/zinc/87/69/73/1078876973.db2.gz BUCPQURWDJRYQR-CQSZACIVSA-N 1 0 406.462 0.046 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3c(C)c(C(F)(F)F)nn3C)C2)CC1 ZINC000498784554 1078877875 /nfs/dbraw/zinc/87/78/75/1078877875.db2.gz IXXJFUGUDXBLJB-CYBMUJFWSA-N 1 0 416.448 0.924 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3c(C)c(C(F)(F)F)nn3C)C2)CC1 ZINC000498784559 1078877893 /nfs/dbraw/zinc/87/78/93/1078877893.db2.gz IXXJFUGUDXBLJB-ZDUSSCGKSA-N 1 0 416.448 0.924 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000498784670 1078877835 /nfs/dbraw/zinc/87/78/35/1078877835.db2.gz JOYOARRCVBUVGJ-CYBMUJFWSA-N 1 0 423.461 0.932 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000498784675 1078877900 /nfs/dbraw/zinc/87/79/00/1078877900.db2.gz JOYOARRCVBUVGJ-ZDUSSCGKSA-N 1 0 423.461 0.932 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000498784708 1078877604 /nfs/dbraw/zinc/87/76/04/1078877604.db2.gz HQPXZYHNLQBBKT-UHFFFAOYSA-N 1 0 420.510 0.307 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000498785123 1078878547 /nfs/dbraw/zinc/87/85/47/1078878547.db2.gz JYLJGJFFVPIYQL-INIZCTEOSA-N 1 0 421.527 0.308 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000498785126 1078878511 /nfs/dbraw/zinc/87/85/11/1078878511.db2.gz JYLJGJFFVPIYQL-MRXNPFEDSA-N 1 0 421.527 0.308 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000498785835 1078878802 /nfs/dbraw/zinc/87/88/02/1078878802.db2.gz YBLWYEGBWKQQJT-HNNXBMFYSA-N 1 0 408.474 0.684 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000498785836 1078878832 /nfs/dbraw/zinc/87/88/32/1078878832.db2.gz YBLWYEGBWKQQJT-OAHLLOKOSA-N 1 0 408.474 0.684 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)ccc1F ZINC000498786312 1078879781 /nfs/dbraw/zinc/87/97/81/1078879781.db2.gz MPMMXSGBXVRTKR-UHFFFAOYSA-N 1 0 414.503 0.815 20 0 HCADRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000498786580 1078879799 /nfs/dbraw/zinc/87/97/99/1078879799.db2.gz MBOHEVGRYNNLEW-UHFFFAOYSA-N 1 0 422.551 0.752 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)NC)C2)c1 ZINC000498787934 1078880062 /nfs/dbraw/zinc/88/00/62/1078880062.db2.gz PVWJBKNYPIAMRH-HNNXBMFYSA-N 1 0 417.510 0.890 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NC)C2)c1 ZINC000498787935 1078880123 /nfs/dbraw/zinc/88/01/23/1078880123.db2.gz PVWJBKNYPIAMRH-OAHLLOKOSA-N 1 0 417.510 0.890 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000498787938 1078880109 /nfs/dbraw/zinc/88/01/09/1078880109.db2.gz PWZAMKWSNAEEIT-LLVKDONJSA-N 1 0 421.299 0.693 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000498787939 1078880080 /nfs/dbraw/zinc/88/00/80/1078880080.db2.gz PWZAMKWSNAEEIT-NSHDSACASA-N 1 0 421.299 0.693 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000498789217 1078881411 /nfs/dbraw/zinc/88/14/11/1078881411.db2.gz VWUBGXDYMILDSW-IBGZPJMESA-N 1 0 415.538 0.955 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000498789218 1078881357 /nfs/dbraw/zinc/88/13/57/1078881357.db2.gz VWUBGXDYMILDSW-LJQANCHMSA-N 1 0 415.538 0.955 20 0 HCADRO COCCCOc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1OC ZINC000498790550 1078883180 /nfs/dbraw/zinc/88/31/80/1078883180.db2.gz SVNYYKXZNTWRCW-INIZCTEOSA-N 1 0 408.499 0.411 20 0 HCADRO COCCCOc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1OC ZINC000498790553 1078883216 /nfs/dbraw/zinc/88/32/16/1078883216.db2.gz SVNYYKXZNTWRCW-MRXNPFEDSA-N 1 0 408.499 0.411 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000498791146 1078882863 /nfs/dbraw/zinc/88/28/63/1078882863.db2.gz UZZUIJXQXBZRLL-GOSISDBHSA-N 1 0 418.542 0.267 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000498791148 1078882787 /nfs/dbraw/zinc/88/27/87/1078882787.db2.gz UZZUIJXQXBZRLL-SFHVURJKSA-N 1 0 418.542 0.267 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000498793300 1078887055 /nfs/dbraw/zinc/88/70/55/1078887055.db2.gz CXLZBPREBAOJOJ-AWEZNQCLSA-N 1 0 419.573 0.051 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000498793301 1078887357 /nfs/dbraw/zinc/88/73/57/1078887357.db2.gz CXLZBPREBAOJOJ-CQSZACIVSA-N 1 0 419.573 0.051 20 0 HCADRO COc1cc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)ccn1 ZINC000498797804 1078889904 /nfs/dbraw/zinc/88/99/04/1078889904.db2.gz ANRKEDQHOAPCNU-UHFFFAOYSA-N 1 0 413.482 0.537 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000498801544 1078896305 /nfs/dbraw/zinc/89/63/05/1078896305.db2.gz QCDWFVRQPRLEIK-GOSISDBHSA-N 1 0 404.511 0.926 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000498801548 1078896371 /nfs/dbraw/zinc/89/63/71/1078896371.db2.gz QCDWFVRQPRLEIK-SFHVURJKSA-N 1 0 404.511 0.926 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000498803672 1078898040 /nfs/dbraw/zinc/89/80/40/1078898040.db2.gz JXHAYQQEOOHBFE-UHFFFAOYSA-N 1 0 408.430 0.454 20 0 HCADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000498805223 1078890701 /nfs/dbraw/zinc/89/07/01/1078890701.db2.gz BLBDDZSFZYBENQ-BBWFWOEESA-N 1 0 414.506 0.432 20 0 HCADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000498805224 1078890693 /nfs/dbraw/zinc/89/06/93/1078890693.db2.gz BLBDDZSFZYBENQ-GVDBMIGSSA-N 1 0 414.506 0.432 20 0 HCADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000498805225 1078891237 /nfs/dbraw/zinc/89/12/37/1078891237.db2.gz BLBDDZSFZYBENQ-ULQDDVLXSA-N 1 0 414.506 0.432 20 0 HCADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000498805226 1078891278 /nfs/dbraw/zinc/89/12/78/1078891278.db2.gz BLBDDZSFZYBENQ-YESZJQIVSA-N 1 0 414.506 0.432 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)sn1 ZINC000498805470 1078890743 /nfs/dbraw/zinc/89/07/43/1078890743.db2.gz XWXNBLVSNFWJRH-UHFFFAOYSA-N 1 0 403.512 0.899 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000498805911 1078890668 /nfs/dbraw/zinc/89/06/68/1078890668.db2.gz PABWIRWGSSULJE-UHFFFAOYSA-N 1 0 420.510 0.571 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CCOCC1 ZINC000498806234 1078891197 /nfs/dbraw/zinc/89/11/97/1078891197.db2.gz ZIHVFGFTKKHSDE-UHFFFAOYSA-N 1 0 410.858 0.836 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1F ZINC000498806264 1078891263 /nfs/dbraw/zinc/89/12/63/1078891263.db2.gz DGFFLNJCTHGJFX-CYBMUJFWSA-N 1 0 412.487 0.805 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1F ZINC000498806265 1078891217 /nfs/dbraw/zinc/89/12/17/1078891217.db2.gz DGFFLNJCTHGJFX-ZDUSSCGKSA-N 1 0 412.487 0.805 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000498806615 1078891706 /nfs/dbraw/zinc/89/17/06/1078891706.db2.gz RDHLKAQTUFUJMM-UHFFFAOYSA-N 1 0 414.453 0.777 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000498806822 1078891232 /nfs/dbraw/zinc/89/12/32/1078891232.db2.gz FQQGIWQDUMKSAK-CYBMUJFWSA-N 1 0 424.885 0.818 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000498806823 1078891150 /nfs/dbraw/zinc/89/11/50/1078891150.db2.gz FQQGIWQDUMKSAK-ZDUSSCGKSA-N 1 0 424.885 0.818 20 0 HCADRO CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000498809170 1078892116 /nfs/dbraw/zinc/89/21/16/1078892116.db2.gz YPCAHFJOSRCIJB-INIZCTEOSA-N 1 0 403.483 0.642 20 0 HCADRO CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000498809171 1078892039 /nfs/dbraw/zinc/89/20/39/1078892039.db2.gz YPCAHFJOSRCIJB-MRXNPFEDSA-N 1 0 403.483 0.642 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(OC)cc(S(C)(=O)=O)c1 ZINC000498809596 1078893270 /nfs/dbraw/zinc/89/32/70/1078893270.db2.gz SMSMRLHGMKKIJK-UHFFFAOYSA-N 1 0 401.485 0.074 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1F ZINC000498810389 1078892461 /nfs/dbraw/zinc/89/24/61/1078892461.db2.gz VWXOJSJVAWXOIC-GFCCVEGCSA-N 1 0 400.476 0.425 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1F ZINC000498810391 1078895073 /nfs/dbraw/zinc/89/50/73/1078895073.db2.gz VWXOJSJVAWXOIC-LBPRGKRZSA-N 1 0 400.476 0.425 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CCOCC1 ZINC000498811126 1078891685 /nfs/dbraw/zinc/89/16/85/1078891685.db2.gz OQGAHWUZHCVUQH-UHFFFAOYSA-N 1 0 421.473 0.911 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000498811175 1078898819 /nfs/dbraw/zinc/89/88/19/1078898819.db2.gz PGROBANFRZOPKP-UHFFFAOYSA-N 1 0 406.483 0.228 20 0 HCADRO Cc1c(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)n(C)nc1C(F)(F)F ZINC000498811460 1078899255 /nfs/dbraw/zinc/89/92/55/1078899255.db2.gz QGRLGNFNBCCFOC-GFCCVEGCSA-N 1 0 405.421 0.895 20 0 HCADRO Cc1c(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)n(C)nc1C(F)(F)F ZINC000498811461 1078899229 /nfs/dbraw/zinc/89/92/29/1078899229.db2.gz QGRLGNFNBCCFOC-LBPRGKRZSA-N 1 0 405.421 0.895 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000498813549 1078899519 /nfs/dbraw/zinc/89/95/19/1078899519.db2.gz YYFKDCNBXNLEGA-GOSISDBHSA-N 1 0 420.510 0.210 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000498813550 1078899504 /nfs/dbraw/zinc/89/95/04/1078899504.db2.gz YYFKDCNBXNLEGA-SFHVURJKSA-N 1 0 420.510 0.210 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000498814678 1078899805 /nfs/dbraw/zinc/89/98/05/1078899805.db2.gz RNOBBNMZAMJDFY-UHFFFAOYSA-N 1 0 409.462 0.721 20 0 HCADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000498814686 1078899859 /nfs/dbraw/zinc/89/98/59/1078899859.db2.gz ROSGOORSTWYZSH-UHFFFAOYSA-N 1 0 402.245 0.861 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000498815498 1078899822 /nfs/dbraw/zinc/89/98/22/1078899822.db2.gz XQBHHOGVSIKXQW-UHFFFAOYSA-N 1 0 418.491 0.051 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCC[C@@H](OCCO)C2)c1 ZINC000498820545 1078898324 /nfs/dbraw/zinc/89/83/24/1078898324.db2.gz ZCTFSKSULNLJKV-GOSISDBHSA-N 1 0 420.510 0.905 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCC[C@H](OCCO)C2)c1 ZINC000498820546 1078898356 /nfs/dbraw/zinc/89/83/56/1078898356.db2.gz ZCTFSKSULNLJKV-SFHVURJKSA-N 1 0 420.510 0.905 20 0 HCADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)CC1 ZINC000498824829 1078902127 /nfs/dbraw/zinc/90/21/27/1078902127.db2.gz GAJOOPYDFQSHQE-UHFFFAOYSA-N 1 0 422.570 0.925 20 0 HCADRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000498826562 1078903660 /nfs/dbraw/zinc/90/36/60/1078903660.db2.gz CDCAEXPYTVBOLR-DLBZAZTESA-N 1 0 414.572 0.443 20 0 HCADRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000498826563 1078903724 /nfs/dbraw/zinc/90/37/24/1078903724.db2.gz CDCAEXPYTVBOLR-IAGOWNOFSA-N 1 0 414.572 0.443 20 0 HCADRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000498826565 1078903642 /nfs/dbraw/zinc/90/36/42/1078903642.db2.gz CDCAEXPYTVBOLR-IRXDYDNUSA-N 1 0 414.572 0.443 20 0 HCADRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000498826567 1078903690 /nfs/dbraw/zinc/90/36/90/1078903690.db2.gz CDCAEXPYTVBOLR-SJORKVTESA-N 1 0 414.572 0.443 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccco1 ZINC000498829891 1078904322 /nfs/dbraw/zinc/90/43/22/1078904322.db2.gz IROYOXCSOUOWJR-ARFHVFGLSA-N 1 0 411.524 0.814 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccco1 ZINC000498829893 1078904565 /nfs/dbraw/zinc/90/45/65/1078904565.db2.gz IROYOXCSOUOWJR-BZUAXINKSA-N 1 0 411.524 0.814 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccco1 ZINC000498829894 1078904599 /nfs/dbraw/zinc/90/45/99/1078904599.db2.gz IROYOXCSOUOWJR-HRCADAONSA-N 1 0 411.524 0.814 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccco1 ZINC000498829896 1078904681 /nfs/dbraw/zinc/90/46/81/1078904681.db2.gz IROYOXCSOUOWJR-OWCLPIDISA-N 1 0 411.524 0.814 20 0 HCADRO 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O=C(Nc1cccc2c1CNC2=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000498982700 1078985486 /nfs/dbraw/zinc/98/54/86/1078985486.db2.gz CMGLBJXNWWMCTF-APWZRJJASA-N 1 0 422.485 0.868 20 0 HCADRO O=C(Nc1cccc2c1CNC2=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000498982703 1078985583 /nfs/dbraw/zinc/98/55/83/1078985583.db2.gz CMGLBJXNWWMCTF-LPHOPBHVSA-N 1 0 422.485 0.868 20 0 HCADRO O=C(Nc1cccc2c1CNC2=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000498982706 1078985365 /nfs/dbraw/zinc/98/53/65/1078985365.db2.gz CMGLBJXNWWMCTF-QFBILLFUSA-N 1 0 422.485 0.868 20 0 HCADRO O=C(Nc1cccc2c1CNC2=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000498982710 1078985542 /nfs/dbraw/zinc/98/55/42/1078985542.db2.gz CMGLBJXNWWMCTF-VQIMIIECSA-N 1 0 422.485 0.868 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000498985033 1079002152 /nfs/dbraw/zinc/00/21/52/1079002152.db2.gz NPJJQZWXLCGTNQ-CVEARBPZSA-N 1 0 424.343 0.877 20 0 HCADRO 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C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000498991362 1078997495 /nfs/dbraw/zinc/99/74/95/1078997495.db2.gz UQHKFKHGDHNTID-UHFFFAOYSA-N 1 0 423.901 0.752 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000498994384 1079000299 /nfs/dbraw/zinc/00/02/99/1079000299.db2.gz CWIJDSXRKMBBSP-LLVKDONJSA-N 1 0 409.874 0.362 20 0 HCADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000498994385 1079000163 /nfs/dbraw/zinc/00/01/63/1079000163.db2.gz CWIJDSXRKMBBSP-NSHDSACASA-N 1 0 409.874 0.362 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[S@@](=O)[C@H](C)C2)c1 ZINC000498995065 1079000811 /nfs/dbraw/zinc/00/08/11/1079000811.db2.gz BGPMFPLOJIETQC-GMYLUUGSSA-N 1 0 408.524 0.885 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[S@@](=O)[C@@H](C)C2)c1 ZINC000498995066 1079000923 /nfs/dbraw/zinc/00/09/23/1079000923.db2.gz BGPMFPLOJIETQC-HJFSHJIFSA-N 1 0 408.524 0.885 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)C2)c1 ZINC000498995067 1079001078 /nfs/dbraw/zinc/00/10/78/1079001078.db2.gz BGPMFPLOJIETQC-POXGOYDTSA-N 1 0 408.524 0.885 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)C2)c1 ZINC000498995068 1079000838 /nfs/dbraw/zinc/00/08/38/1079000838.db2.gz BGPMFPLOJIETQC-SUMNFNSASA-N 1 0 408.524 0.885 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000499001351 1079004140 /nfs/dbraw/zinc/00/41/40/1079004140.db2.gz NXPFNNSQBQUQHN-INIZCTEOSA-N 1 0 424.523 0.599 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000499001352 1079004230 /nfs/dbraw/zinc/00/42/30/1079004230.db2.gz NXPFNNSQBQUQHN-MRXNPFEDSA-N 1 0 424.523 0.599 20 0 HCADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000499005657 1079005750 /nfs/dbraw/zinc/00/57/50/1079005750.db2.gz VFOZVGOXVXZXLG-AWEZNQCLSA-N 1 0 420.489 0.436 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000499005660 1079005688 /nfs/dbraw/zinc/00/56/88/1079005688.db2.gz VFOZVGOXVXZXLG-CQSZACIVSA-N 1 0 420.489 0.436 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000499006566 1079005715 /nfs/dbraw/zinc/00/57/15/1079005715.db2.gz WHUSRBSWHYFDGK-UHFFFAOYSA-N 1 0 419.526 0.144 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@H]1C ZINC000499010346 1079006279 /nfs/dbraw/zinc/00/62/79/1079006279.db2.gz PWEWYOXXEDDBAS-CVEARBPZSA-N 1 0 417.576 0.152 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@@H]1C ZINC000499010348 1079006159 /nfs/dbraw/zinc/00/61/59/1079006159.db2.gz PWEWYOXXEDDBAS-HOTGVXAUSA-N 1 0 417.576 0.152 20 0 HCADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@H]1C ZINC000499010350 1079006068 /nfs/dbraw/zinc/00/60/68/1079006068.db2.gz PWEWYOXXEDDBAS-HZPDHXFCSA-N 1 0 417.576 0.152 20 0 HCADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@@H]1C ZINC000499010352 1079006244 /nfs/dbraw/zinc/00/62/44/1079006244.db2.gz PWEWYOXXEDDBAS-JKSUJKDBSA-N 1 0 417.576 0.152 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(CCOC)CC2)c1 ZINC000499017287 1079007917 /nfs/dbraw/zinc/00/79/17/1079007917.db2.gz QWBNIKJGYITXCF-UHFFFAOYSA-N 1 0 419.526 0.696 20 0 HCADRO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)c(=O)[nH]c1=O ZINC000499017307 1079007980 /nfs/dbraw/zinc/00/79/80/1079007980.db2.gz WTAPSFAZACLXSQ-CYBMUJFWSA-N 1 0 408.503 0.414 20 0 HCADRO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)c(=O)[nH]c1=O ZINC000499017312 1079008106 /nfs/dbraw/zinc/00/81/06/1079008106.db2.gz WTAPSFAZACLXSQ-ZDUSSCGKSA-N 1 0 408.503 0.414 20 0 HCADRO CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCC(n3cncn3)CC2)c(=O)[nH]c1=O ZINC000499018345 1079008323 /nfs/dbraw/zinc/00/83/23/1079008323.db2.gz CJHUOTYQVILQQI-UHFFFAOYSA-N 1 0 418.502 0.613 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000499018933 1079008811 /nfs/dbraw/zinc/00/88/11/1079008811.db2.gz IGOGWGZUCCDPLQ-INIZCTEOSA-N 1 0 416.482 0.141 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000499018934 1079008831 /nfs/dbraw/zinc/00/88/31/1079008831.db2.gz IGOGWGZUCCDPLQ-MRXNPFEDSA-N 1 0 416.482 0.141 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000499022820 1079012029 /nfs/dbraw/zinc/01/20/29/1079012029.db2.gz IXOSOSDCMXRHSS-INIZCTEOSA-N 1 0 415.494 0.785 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000499022821 1079011980 /nfs/dbraw/zinc/01/19/80/1079011980.db2.gz IXOSOSDCMXRHSS-MRXNPFEDSA-N 1 0 415.494 0.785 20 0 HCADRO NC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000499025241 1079012860 /nfs/dbraw/zinc/01/28/60/1079012860.db2.gz YXGWPGKHCIYSQA-GOSISDBHSA-N 1 0 422.551 0.391 20 0 HCADRO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000499025242 1079012740 /nfs/dbraw/zinc/01/27/40/1079012740.db2.gz YXGWPGKHCIYSQA-SFHVURJKSA-N 1 0 422.551 0.391 20 0 HCADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(n2cncn2)CC1 ZINC000499025315 1079013130 /nfs/dbraw/zinc/01/31/30/1079013130.db2.gz PYSZTSRITHLZBK-AWEZNQCLSA-N 1 0 406.512 0.310 20 0 HCADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(n2cncn2)CC1 ZINC000499025316 1079013054 /nfs/dbraw/zinc/01/30/54/1079013054.db2.gz PYSZTSRITHLZBK-CQSZACIVSA-N 1 0 406.512 0.310 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000499030883 1079011276 /nfs/dbraw/zinc/01/12/76/1079011276.db2.gz BHWGQDOJIPMFER-HNNXBMFYSA-N 1 0 407.492 0.651 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000499030889 1079011291 /nfs/dbraw/zinc/01/12/91/1079011291.db2.gz BHWGQDOJIPMFER-OAHLLOKOSA-N 1 0 407.492 0.651 20 0 HCADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(F)cc2OC2CCOCC2)CC1 ZINC000499031067 1079010852 /nfs/dbraw/zinc/01/08/52/1079010852.db2.gz BXTABNVECNCSJM-UHFFFAOYSA-N 1 0 409.458 0.895 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCSC2)c1 ZINC000499031794 1079013547 /nfs/dbraw/zinc/01/35/47/1079013547.db2.gz SPLOZLPDVUOXNG-IBGZPJMESA-N 1 0 408.524 0.890 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@]2(O)CCSC2)c1 ZINC000499032095 1079011209 /nfs/dbraw/zinc/01/12/09/1079011209.db2.gz SPLOZLPDVUOXNG-LJQANCHMSA-N 1 0 408.524 0.890 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1F ZINC000499032615 1079016487 /nfs/dbraw/zinc/01/64/87/1079016487.db2.gz UYIVSTMLHFMDCF-AAEUAGOBSA-N 1 0 400.476 0.661 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1F ZINC000499032617 1079016448 /nfs/dbraw/zinc/01/64/48/1079016448.db2.gz UYIVSTMLHFMDCF-DGCLKSJQSA-N 1 0 400.476 0.661 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1F ZINC000499032618 1079016541 /nfs/dbraw/zinc/01/65/41/1079016541.db2.gz UYIVSTMLHFMDCF-WCQYABFASA-N 1 0 400.476 0.661 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1F ZINC000499032619 1079016281 /nfs/dbraw/zinc/01/62/81/1079016281.db2.gz UYIVSTMLHFMDCF-YPMHNXCESA-N 1 0 400.476 0.661 20 0 HCADRO O=C(Nc1cccc2c1CNC2=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000499032940 1079016298 /nfs/dbraw/zinc/01/62/98/1079016298.db2.gz WMJQGBGGWIETBC-UHFFFAOYSA-N 1 0 400.479 0.829 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1F ZINC000499033131 1079016642 /nfs/dbraw/zinc/01/66/42/1079016642.db2.gz YGICAVQETNEUCR-CYBMUJFWSA-N 1 0 400.476 0.567 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1F ZINC000499033133 1079016326 /nfs/dbraw/zinc/01/63/26/1079016326.db2.gz YGICAVQETNEUCR-ZDUSSCGKSA-N 1 0 400.476 0.567 20 0 HCADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)CC1 ZINC000499033776 1079017118 /nfs/dbraw/zinc/01/71/18/1079017118.db2.gz MLCUJXBALVYAGH-UHFFFAOYSA-N 1 0 412.437 0.313 20 0 HCADRO O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000499033963 1079017028 /nfs/dbraw/zinc/01/70/28/1079017028.db2.gz NLAQWIFVERAJDC-AWEZNQCLSA-N 1 0 400.410 0.890 20 0 HCADRO O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000499033964 1079017046 /nfs/dbraw/zinc/01/70/46/1079017046.db2.gz NLAQWIFVERAJDC-CQSZACIVSA-N 1 0 400.410 0.890 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1F ZINC000499034728 1079017831 /nfs/dbraw/zinc/01/78/31/1079017831.db2.gz VACMXBUYHXPZQU-AWEZNQCLSA-N 1 0 410.471 0.487 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1F ZINC000499034729 1079017919 /nfs/dbraw/zinc/01/79/19/1079017919.db2.gz VACMXBUYHXPZQU-CQSZACIVSA-N 1 0 410.471 0.487 20 0 HCADRO COCCCOc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1OC ZINC000499035390 1079017552 /nfs/dbraw/zinc/01/75/52/1079017552.db2.gz DPPSIQZRPSJCOI-UHFFFAOYSA-N 1 0 409.483 0.622 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(C(N)=O)o2)c1 ZINC000499035636 1079018354 /nfs/dbraw/zinc/01/83/54/1079018354.db2.gz HBIASPKFHNPKLC-UHFFFAOYSA-N 1 0 415.450 0.914 20 0 HCADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 ZINC000499036897 1079018773 /nfs/dbraw/zinc/01/87/73/1079018773.db2.gz OVVRFVOAYSCPTR-UHFFFAOYSA-N 1 0 407.446 0.257 20 0 HCADRO CN1CCC(CNC(=O)C(=O)Nc2cccc3c2CNC3=O)([NH+]2CCCCC2)CC1 ZINC000499038108 1079018627 /nfs/dbraw/zinc/01/86/27/1079018627.db2.gz OQAJELVVMWVBKY-UHFFFAOYSA-N 1 0 413.522 0.935 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2)CC1 ZINC000499038972 1079019559 /nfs/dbraw/zinc/01/95/59/1079019559.db2.gz SNSHVBXFOWXVNO-UHFFFAOYSA-N 1 0 406.512 0.307 20 0 HCADRO O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000499041028 1079015251 /nfs/dbraw/zinc/01/52/51/1079015251.db2.gz BRQUZBBIJKGIRX-GFCCVEGCSA-N 1 0 422.869 0.790 20 0 HCADRO O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000499041031 1079015218 /nfs/dbraw/zinc/01/52/18/1079015218.db2.gz BRQUZBBIJKGIRX-LBPRGKRZSA-N 1 0 422.869 0.790 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)n(C)nc1C(F)(F)F ZINC000499041047 1079015368 /nfs/dbraw/zinc/01/53/68/1079015368.db2.gz BUGCSWKVOWMTEU-GFCCVEGCSA-N 1 0 403.405 0.867 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)n(C)nc1C(F)(F)F ZINC000499041048 1079015199 /nfs/dbraw/zinc/01/51/99/1079015199.db2.gz BUGCSWKVOWMTEU-LBPRGKRZSA-N 1 0 403.405 0.867 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC[N@@H+]1C ZINC000499042714 1079022177 /nfs/dbraw/zinc/02/21/77/1079022177.db2.gz FOLLABDYVNEIBV-AAEUAGOBSA-N 1 0 400.476 0.613 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC[N@@H+]1C ZINC000499042716 1079022354 /nfs/dbraw/zinc/02/23/54/1079022354.db2.gz FOLLABDYVNEIBV-DGCLKSJQSA-N 1 0 400.476 0.613 20 0 HCADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC[N@@H+]1C ZINC000499042718 1079022301 /nfs/dbraw/zinc/02/23/01/1079022301.db2.gz FOLLABDYVNEIBV-WCQYABFASA-N 1 0 400.476 0.613 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC[N@@H+]1C ZINC000499042719 1079022224 /nfs/dbraw/zinc/02/22/24/1079022224.db2.gz FOLLABDYVNEIBV-YPMHNXCESA-N 1 0 400.476 0.613 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CCSC1 ZINC000499042846 1079021841 /nfs/dbraw/zinc/02/18/41/1079021841.db2.gz HMBIBTOIDRUQDG-IBGZPJMESA-N 1 0 422.482 0.971 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CCSC1 ZINC000499042847 1079022191 /nfs/dbraw/zinc/02/21/91/1079022191.db2.gz HMBIBTOIDRUQDG-LJQANCHMSA-N 1 0 422.482 0.971 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000499044704 1079022683 /nfs/dbraw/zinc/02/26/83/1079022683.db2.gz MMKRHXGNHYZWPB-INIZCTEOSA-N 1 0 418.494 0.182 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000499044705 1079022616 /nfs/dbraw/zinc/02/26/16/1079022616.db2.gz MMKRHXGNHYZWPB-MRXNPFEDSA-N 1 0 418.494 0.182 20 0 HCADRO COc1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc(S(C)(=O)=O)c1 ZINC000499045417 1079022719 /nfs/dbraw/zinc/02/27/19/1079022719.db2.gz PMSWNTAGDPYESS-KRWDZBQOSA-N 1 0 415.537 0.591 20 0 HCADRO COc1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc(S(C)(=O)=O)c1 ZINC000499045418 1079022574 /nfs/dbraw/zinc/02/25/74/1079022574.db2.gz PMSWNTAGDPYESS-QGZVFWFLSA-N 1 0 415.537 0.591 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCO[C@H](COC)C2)c1 ZINC000499045642 1079022994 /nfs/dbraw/zinc/02/29/94/1079022994.db2.gz QXJXSDDEFWWLIH-KRWDZBQOSA-N 1 0 406.483 0.779 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCO[C@@H](COC)C2)c1 ZINC000499045643 1079023186 /nfs/dbraw/zinc/02/31/86/1079023186.db2.gz QXJXSDDEFWWLIH-QGZVFWFLSA-N 1 0 406.483 0.779 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1F ZINC000499046635 1079019675 /nfs/dbraw/zinc/01/96/75/1079019675.db2.gz YBQYCMXLQNWBFP-INIZCTEOSA-N 1 0 418.516 0.226 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1F ZINC000499046636 1079019697 /nfs/dbraw/zinc/01/96/97/1079019697.db2.gz YBQYCMXLQNWBFP-MRXNPFEDSA-N 1 0 418.516 0.226 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000499046706 1079019528 /nfs/dbraw/zinc/01/95/28/1079019528.db2.gz YZNXSHPDTKFWRI-INIZCTEOSA-N 1 0 402.495 0.898 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000499046707 1079020009 /nfs/dbraw/zinc/02/00/09/1079020009.db2.gz YZNXSHPDTKFWRI-MRXNPFEDSA-N 1 0 402.495 0.898 20 0 HCADRO C[NH+](C)CCOc1ccccc1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000499047245 1079020044 /nfs/dbraw/zinc/02/00/44/1079020044.db2.gz YWHUIFXYRBBTJP-UHFFFAOYSA-N 1 0 409.552 0.962 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccn1 ZINC000499047764 1079020344 /nfs/dbraw/zinc/02/03/44/1079020344.db2.gz BTKRLTQUJYRSKJ-UHFFFAOYSA-N 1 0 419.526 0.971 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000499048872 1079020483 /nfs/dbraw/zinc/02/04/83/1079020483.db2.gz KFRYSDTXGKHNPN-IBGZPJMESA-N 1 0 408.524 0.555 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000499048878 1079020499 /nfs/dbraw/zinc/02/04/99/1079020499.db2.gz KFRYSDTXGKHNPN-LJQANCHMSA-N 1 0 408.524 0.555 20 0 HCADRO O=C(Nc1cccc2c1CNC2=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000499050741 1079021199 /nfs/dbraw/zinc/02/11/99/1079021199.db2.gz DOTVVQZPXFGMOZ-UHFFFAOYSA-N 1 0 400.479 0.972 20 0 HCADRO COCc1cnc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000499051954 1079025001 /nfs/dbraw/zinc/02/50/01/1079025001.db2.gz HHNWDOMAXIZZPE-IBGZPJMESA-N 1 0 404.492 0.981 20 0 HCADRO COCc1cnc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000499051955 1079024815 /nfs/dbraw/zinc/02/48/15/1079024815.db2.gz HHNWDOMAXIZZPE-LJQANCHMSA-N 1 0 404.492 0.981 20 0 HCADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc2c1CNC2=O ZINC000499052648 1079025377 /nfs/dbraw/zinc/02/53/77/1079025377.db2.gz JFPPHCLNIMZILL-JOCHJYFZSA-N 1 0 408.458 0.622 20 0 HCADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc2c1CNC2=O ZINC000499052651 1079025323 /nfs/dbraw/zinc/02/53/23/1079025323.db2.gz JFPPHCLNIMZILL-QFIPXVFZSA-N 1 0 408.458 0.622 20 0 HCADRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000499054590 1079025737 /nfs/dbraw/zinc/02/57/37/1079025737.db2.gz JSGWTMBVAWOLPN-UHFFFAOYSA-N 1 0 411.524 0.828 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)C1 ZINC000499057497 1079026780 /nfs/dbraw/zinc/02/67/80/1079026780.db2.gz BPMGFPHHOULBGS-HNNXBMFYSA-N 1 0 411.524 0.979 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)C1 ZINC000499057499 1079027166 /nfs/dbraw/zinc/02/71/66/1079027166.db2.gz BPMGFPHHOULBGS-OAHLLOKOSA-N 1 0 411.524 0.979 20 0 HCADRO COCc1csc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000499058075 1079023241 /nfs/dbraw/zinc/02/32/41/1079023241.db2.gz RWXBDYMOZPFOOL-IBGZPJMESA-N 1 0 404.492 0.981 20 0 HCADRO COCc1csc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000499058076 1079023086 /nfs/dbraw/zinc/02/30/86/1079023086.db2.gz RWXBDYMOZPFOOL-LJQANCHMSA-N 1 0 404.492 0.981 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1 ZINC000499059190 1079023687 /nfs/dbraw/zinc/02/36/87/1079023687.db2.gz VTJPNRVBIQBFOE-GFCCVEGCSA-N 1 0 400.476 0.473 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1 ZINC000499059192 1079023429 /nfs/dbraw/zinc/02/34/29/1079023429.db2.gz VTJPNRVBIQBFOE-LBPRGKRZSA-N 1 0 400.476 0.473 20 0 HCADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499059573 1079023856 /nfs/dbraw/zinc/02/38/56/1079023856.db2.gz IIIRGPBIPSRDPD-DLBZAZTESA-N 1 0 416.522 0.870 20 0 HCADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499059576 1079024006 /nfs/dbraw/zinc/02/40/06/1079024006.db2.gz IIIRGPBIPSRDPD-IAGOWNOFSA-N 1 0 416.522 0.870 20 0 HCADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499059579 1079023847 /nfs/dbraw/zinc/02/38/47/1079023847.db2.gz IIIRGPBIPSRDPD-IRXDYDNUSA-N 1 0 416.522 0.870 20 0 HCADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499059582 1079023935 /nfs/dbraw/zinc/02/39/35/1079023935.db2.gz IIIRGPBIPSRDPD-SJORKVTESA-N 1 0 416.522 0.870 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 ZINC000499061877 1079024341 /nfs/dbraw/zinc/02/43/41/1079024341.db2.gz RCWKJGKVNNPUOA-CYBMUJFWSA-N 1 0 414.503 0.815 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 ZINC000499061878 1079024426 /nfs/dbraw/zinc/02/44/26/1079024426.db2.gz RCWKJGKVNNPUOA-ZDUSSCGKSA-N 1 0 414.503 0.815 20 0 HCADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000499062314 1079028554 /nfs/dbraw/zinc/02/85/54/1079028554.db2.gz FXJAYRPIEQZBMG-UHFFFAOYSA-N 1 0 402.492 0.863 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000499070913 1079029772 /nfs/dbraw/zinc/02/97/72/1079029772.db2.gz BSSSVROWKJYBCB-INIZCTEOSA-N 1 0 402.495 0.946 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000499070916 1079030017 /nfs/dbraw/zinc/03/00/17/1079030017.db2.gz BSSSVROWKJYBCB-MRXNPFEDSA-N 1 0 402.495 0.946 20 0 HCADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1 ZINC000499072155 1079030331 /nfs/dbraw/zinc/03/03/31/1079030331.db2.gz QQEKJNLUZSIGQE-UHFFFAOYSA-N 1 0 414.503 0.911 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1F ZINC000499073359 1079030248 /nfs/dbraw/zinc/03/02/48/1079030248.db2.gz DNJQOONGENYHOV-CYBMUJFWSA-N 1 0 412.487 0.617 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1F ZINC000499073360 1079030386 /nfs/dbraw/zinc/03/03/86/1079030386.db2.gz DNJQOONGENYHOV-ZDUSSCGKSA-N 1 0 412.487 0.617 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C ZINC000499073388 1079030605 /nfs/dbraw/zinc/03/06/05/1079030605.db2.gz QUSZEQRRWPPIHE-CABCVRRESA-N 1 0 410.540 0.608 20 0 HCADRO CC[N@@H+]1C[C@H](C)N(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C ZINC000499073393 1079030842 /nfs/dbraw/zinc/03/08/42/1079030842.db2.gz QUSZEQRRWPPIHE-GJZGRUSLSA-N 1 0 410.540 0.608 20 0 HCADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C ZINC000499073395 1079030571 /nfs/dbraw/zinc/03/05/71/1079030571.db2.gz QUSZEQRRWPPIHE-HUUCEWRRSA-N 1 0 410.540 0.608 20 0 HCADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C ZINC000499073397 1079030901 /nfs/dbraw/zinc/03/09/01/1079030901.db2.gz QUSZEQRRWPPIHE-LSDHHAIUSA-N 1 0 410.540 0.608 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc(S(C)(=O)=O)c1 ZINC000499075906 1079032590 /nfs/dbraw/zinc/03/25/90/1079032590.db2.gz KRVLVOKIJRMXNN-AWEZNQCLSA-N 1 0 409.508 0.982 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc(S(C)(=O)=O)c1 ZINC000499075911 1079032504 /nfs/dbraw/zinc/03/25/04/1079032504.db2.gz KRVLVOKIJRMXNN-CQSZACIVSA-N 1 0 409.508 0.982 20 0 HCADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000499076216 1079032510 /nfs/dbraw/zinc/03/25/10/1079032510.db2.gz PCMOUYLSKNORBH-UHFFFAOYSA-N 1 0 414.453 0.824 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c1 ZINC000499076699 1079032919 /nfs/dbraw/zinc/03/29/19/1079032919.db2.gz NBKINCNSYFFAAR-UHFFFAOYSA-N 1 0 415.494 0.739 20 0 HCADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000499077705 1079033467 /nfs/dbraw/zinc/03/34/67/1079033467.db2.gz CYUBKSUDBTUUBF-UHFFFAOYSA-N 1 0 418.491 0.099 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000499078357 1079033096 /nfs/dbraw/zinc/03/30/96/1079033096.db2.gz FGXIAJPPCNWYLB-CABCVRRESA-N 1 0 409.508 0.873 20 0 HCADRO COC[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000499079511 1079035095 /nfs/dbraw/zinc/03/50/95/1079035095.db2.gz JEJJHPSLHOFSBF-INIZCTEOSA-N 1 0 414.528 0.483 20 0 HCADRO COC[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000499079514 1079034888 /nfs/dbraw/zinc/03/48/88/1079034888.db2.gz JEJJHPSLHOFSBF-MRXNPFEDSA-N 1 0 414.528 0.483 20 0 HCADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000499079608 1079035018 /nfs/dbraw/zinc/03/50/18/1079035018.db2.gz ZLKKHJKHDJYZKW-UHFFFAOYSA-N 1 0 408.430 0.502 20 0 HCADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1 ZINC000499079631 1079034849 /nfs/dbraw/zinc/03/48/49/1079034849.db2.gz ZNGCPRGCSXMZAL-CYBMUJFWSA-N 1 0 400.476 0.615 20 0 HCADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1 ZINC000499079633 1079035083 /nfs/dbraw/zinc/03/50/83/1079035083.db2.gz ZNGCPRGCSXMZAL-ZDUSSCGKSA-N 1 0 400.476 0.615 20 0 HCADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000499079976 1079034585 /nfs/dbraw/zinc/03/45/85/1079034585.db2.gz KEQNAIUVVVKXSB-UHFFFAOYSA-N 1 0 409.462 0.768 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)c1cccc(OC)c1 ZINC000499080697 1079035004 /nfs/dbraw/zinc/03/50/04/1079035004.db2.gz OAQSSGVMILXSGI-KRWDZBQOSA-N 1 0 409.512 0.738 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)c1cccc(OC)c1 ZINC000499080698 1079034947 /nfs/dbraw/zinc/03/49/47/1079034947.db2.gz OAQSSGVMILXSGI-QGZVFWFLSA-N 1 0 409.512 0.738 20 0 HCADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 ZINC000499081585 1079033509 /nfs/dbraw/zinc/03/35/09/1079033509.db2.gz VUIXQNCVIOUEAT-AWEZNQCLSA-N 1 0 414.503 0.957 20 0 HCADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 ZINC000499081586 1079033445 /nfs/dbraw/zinc/03/34/45/1079033445.db2.gz VUIXQNCVIOUEAT-CQSZACIVSA-N 1 0 414.503 0.957 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)c1 ZINC000499085055 1079035978 /nfs/dbraw/zinc/03/59/78/1079035978.db2.gz LVFBCWWIKASDDZ-INIZCTEOSA-N 1 0 403.483 0.642 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)c1 ZINC000499085056 1079035904 /nfs/dbraw/zinc/03/59/04/1079035904.db2.gz LVFBCWWIKASDDZ-MRXNPFEDSA-N 1 0 403.483 0.642 20 0 HCADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1 ZINC000499089331 1079036830 /nfs/dbraw/zinc/03/68/30/1079036830.db2.gz YQRPYZKFSYCBNT-CYBMUJFWSA-N 1 0 414.503 0.863 20 0 HCADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1 ZINC000499089332 1079036769 /nfs/dbraw/zinc/03/67/69/1079036769.db2.gz YQRPYZKFSYCBNT-ZDUSSCGKSA-N 1 0 414.503 0.863 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1F ZINC000499089436 1079036715 /nfs/dbraw/zinc/03/67/15/1079036715.db2.gz RJRPYKXWGJOLFL-AGUYFDCRSA-N 1 0 412.487 0.804 20 0 HCADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1 ZINC000499090340 1079036805 /nfs/dbraw/zinc/03/68/05/1079036805.db2.gz VUONWGHQFNUKIB-CYBMUJFWSA-N 1 0 414.503 0.863 20 0 HCADRO 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CLQYTSVBGWXXRH-AWEZNQCLSA-N 1 0 420.553 0.833 20 0 HCADRO COc1ccc(S(=O)(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000499112894 1079042593 /nfs/dbraw/zinc/04/25/93/1079042593.db2.gz CLQYTSVBGWXXRH-CQSZACIVSA-N 1 0 420.553 0.833 20 0 HCADRO O=C(CCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)N1CCOCC1 ZINC000499113251 1079042112 /nfs/dbraw/zinc/04/21/12/1079042112.db2.gz IGDKOSBXDUJGCG-UHFFFAOYSA-N 1 0 422.570 0.856 20 0 HCADRO COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000499114389 1079042588 /nfs/dbraw/zinc/04/25/88/1079042588.db2.gz BKIUYXRDPBFZCY-UHFFFAOYSA-N 1 0 420.510 0.771 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000499115007 1079043401 /nfs/dbraw/zinc/04/34/01/1079043401.db2.gz CBIMBSOWBFUNAI-UHFFFAOYSA-N 1 0 402.495 0.867 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000499115130 1079043006 /nfs/dbraw/zinc/04/30/06/1079043006.db2.gz DNKCQKCRPDLONF-UHFFFAOYSA-N 1 0 407.515 0.158 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000499116255 1079043426 /nfs/dbraw/zinc/04/34/26/1079043426.db2.gz HUUGRCIQBQBVMF-UHFFFAOYSA-N 1 0 422.551 0.657 20 0 HCADRO CC1(C)NC(=O)N(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1=O ZINC000499116555 1079047496 /nfs/dbraw/zinc/04/74/96/1079047496.db2.gz MXJVAJRILOGYFB-UHFFFAOYSA-N 1 0 421.542 0.548 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000499116622 1079047535 /nfs/dbraw/zinc/04/75/35/1079047535.db2.gz OIIXIBZQFGFIAI-UHFFFAOYSA-N 1 0 402.561 0.109 20 0 HCADRO C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000499116787 1079047514 /nfs/dbraw/zinc/04/75/14/1079047514.db2.gz JARWDSMHXGZHOJ-INIZCTEOSA-N 1 0 404.511 0.487 20 0 HCADRO C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000499116793 1079047472 /nfs/dbraw/zinc/04/74/72/1079047472.db2.gz JARWDSMHXGZHOJ-MRXNPFEDSA-N 1 0 404.511 0.487 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000499116798 1079047616 /nfs/dbraw/zinc/04/76/16/1079047616.db2.gz JCKXGUUVVGZRIR-UHFFFAOYSA-N 1 0 424.567 0.580 20 0 HCADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000499116872 1079047489 /nfs/dbraw/zinc/04/74/89/1079047489.db2.gz LNZRMBLWOYQDRM-HNNXBMFYSA-N 1 0 403.479 0.774 20 0 HCADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000499116873 1079047605 /nfs/dbraw/zinc/04/76/05/1079047605.db2.gz LNZRMBLWOYQDRM-OAHLLOKOSA-N 1 0 403.479 0.774 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CNC(=O)NCc2ccc(F)cc2)CC1 ZINC000499117708 1079047877 /nfs/dbraw/zinc/04/78/77/1079047877.db2.gz NOGYZUDZCKGILR-UHFFFAOYSA-N 1 0 407.490 0.541 20 0 HCADRO COc1ccc(OC)c(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000499118143 1079047949 /nfs/dbraw/zinc/04/79/49/1079047949.db2.gz SLAMUZUBGWQPHA-AWEZNQCLSA-N 1 0 420.553 0.833 20 0 HCADRO COc1ccc(OC)c(S(=O)(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000499118144 1079047936 /nfs/dbraw/zinc/04/79/36/1079047936.db2.gz SLAMUZUBGWQPHA-CQSZACIVSA-N 1 0 420.553 0.833 20 0 HCADRO Cn1c2ccccc2n(CCC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1=O ZINC000499118366 1079047973 /nfs/dbraw/zinc/04/79/73/1079047973.db2.gz PXPRWVCEDLGCPU-UHFFFAOYSA-N 1 0 401.511 0.647 20 0 HCADRO Cc1ccc(CNC(=O)NCC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000499118381 1079047906 /nfs/dbraw/zinc/04/79/06/1079047906.db2.gz PYRCSVIHWDZREH-UHFFFAOYSA-N 1 0 403.527 0.711 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000499118455 1079047622 /nfs/dbraw/zinc/04/76/22/1079047622.db2.gz QKXJYQKAGDRKCB-INIZCTEOSA-N 1 0 424.567 0.578 20 0 HCADRO COc1ccc(C(=O)NC2(CCO)CC[NH+](C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000499118516 1079048014 /nfs/dbraw/zinc/04/80/14/1079048014.db2.gz QRBQUHZALZGPNB-UHFFFAOYSA-N 1 0 411.524 0.713 20 0 HCADRO C[NH+](C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000499119110 1079048514 /nfs/dbraw/zinc/04/85/14/1079048514.db2.gz XXRWXBBSOJCNAJ-HNNXBMFYSA-N 1 0 402.538 0.751 20 0 HCADRO C[NH+](C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000499119111 1079048397 /nfs/dbraw/zinc/04/83/97/1079048397.db2.gz XXRWXBBSOJCNAJ-OAHLLOKOSA-N 1 0 402.538 0.751 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CSc2nnnn2C2CCCC2)CC1 ZINC000499119236 1079048005 /nfs/dbraw/zinc/04/80/05/1079048005.db2.gz UCNVIOCIBYBXTO-UHFFFAOYSA-N 1 0 409.560 0.797 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000499119241 1079048008 /nfs/dbraw/zinc/04/80/08/1079048008.db2.gz UEUCQNVGKDKTDY-UHFFFAOYSA-N 1 0 407.515 0.158 20 0 HCADRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000499119284 1079048030 /nfs/dbraw/zinc/04/80/30/1079048030.db2.gz UQGNHZOTNIUWCU-HNNXBMFYSA-N 1 0 410.540 0.270 20 0 HCADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000499119873 1079044976 /nfs/dbraw/zinc/04/49/76/1079044976.db2.gz WSBUMLNUOXYWHG-UHFFFAOYSA-N 1 0 405.499 0.180 20 0 HCADRO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C2=O ZINC000499119918 1079045032 /nfs/dbraw/zinc/04/50/32/1079045032.db2.gz WVNRFRHHNUPHJC-BTYIYWSLSA-N 1 0 421.542 0.404 20 0 HCADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C2=O ZINC000499119920 1079045024 /nfs/dbraw/zinc/04/50/24/1079045024.db2.gz WVNRFRHHNUPHJC-QVKFZJNVSA-N 1 0 421.542 0.404 20 0 HCADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C2=O ZINC000499120127 1079045060 /nfs/dbraw/zinc/04/50/60/1079045060.db2.gz WVNRFRHHNUPHJC-VFNWGFHPSA-N 1 0 421.542 0.404 20 0 HCADRO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C2=O ZINC000499120128 1079044963 /nfs/dbraw/zinc/04/49/63/1079044963.db2.gz WVNRFRHHNUPHJC-YCRPNKLZSA-N 1 0 421.542 0.404 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000499121291 1079045374 /nfs/dbraw/zinc/04/53/74/1079045374.db2.gz KCIKHGIOYJNJAE-UHFFFAOYSA-N 1 0 400.483 0.098 20 0 HCADRO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000499121782 1079046224 /nfs/dbraw/zinc/04/62/24/1079046224.db2.gz NDNMLACGGSSDNG-CYBMUJFWSA-N 1 0 401.510 0.462 20 0 HCADRO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000499121783 1079046282 /nfs/dbraw/zinc/04/62/82/1079046282.db2.gz NDNMLACGGSSDNG-ZDUSSCGKSA-N 1 0 401.510 0.462 20 0 HCADRO O=C(CCN1C(=O)CCC1=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000499122706 1079046567 /nfs/dbraw/zinc/04/65/67/1079046567.db2.gz WDZYPJOODDWBLR-UHFFFAOYSA-N 1 0 406.527 0.756 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000499122925 1079046130 /nfs/dbraw/zinc/04/61/30/1079046130.db2.gz WOLOWEIPUIHMMP-GOSISDBHSA-N 1 0 407.559 0.831 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000499122926 1079046651 /nfs/dbraw/zinc/04/66/51/1079046651.db2.gz WOLOWEIPUIHMMP-SFHVURJKSA-N 1 0 407.559 0.831 20 0 HCADRO C[NH+](C)C[C@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)c1ccc(F)cc1 ZINC000499123784 1079046768 /nfs/dbraw/zinc/04/67/68/1079046768.db2.gz IIWWYJQOCLSARR-INIZCTEOSA-N 1 0 413.475 0.835 20 0 HCADRO C[NH+](C)C[C@@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)c1ccc(F)cc1 ZINC000499123785 1079046663 /nfs/dbraw/zinc/04/66/63/1079046663.db2.gz IIWWYJQOCLSARR-MRXNPFEDSA-N 1 0 413.475 0.835 20 0 HCADRO Cc1nc(C(=O)NC2(CCO)CC[NH+](C)CC2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000499124857 1079047169 /nfs/dbraw/zinc/04/71/69/1079047169.db2.gz BXOUAMLPMNGOOZ-UHFFFAOYSA-N 1 0 402.381 0.289 20 0 HCADRO CN(CC(=O)NC1(CCO)CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000499126183 1079048543 /nfs/dbraw/zinc/04/85/43/1079048543.db2.gz VJDPISWHFCVFIH-UHFFFAOYSA-N 1 0 403.932 0.924 20 0 HCADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000499127389 1079048522 /nfs/dbraw/zinc/04/85/22/1079048522.db2.gz PVNJWVYXJDEUNL-UHFFFAOYSA-N 1 0 416.569 0.329 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000499127896 1079048802 /nfs/dbraw/zinc/04/88/02/1079048802.db2.gz NWODCXKIXZAXDH-UHFFFAOYSA-N 1 0 410.540 0.467 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000499128520 1079048877 /nfs/dbraw/zinc/04/88/77/1079048877.db2.gz AZCKOPMBSOSBKK-UHFFFAOYSA-N 1 0 422.551 0.539 20 0 HCADRO COc1ccc(C(=O)NC2(CCO)CC[NH+](C)CC2)cc1S(=O)(=O)NC(C)C ZINC000499128682 1079049407 /nfs/dbraw/zinc/04/94/07/1079049407.db2.gz WMMFLRNCVYRGIB-UHFFFAOYSA-N 1 0 413.540 0.959 20 0 HCADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000499128763 1079049241 /nfs/dbraw/zinc/04/92/41/1079049241.db2.gz WXPIEFKZQICUJR-ZDUSSCGKSA-N 1 0 403.932 0.970 20 0 HCADRO COc1ccccc1N1C[C@@H](C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)CC1=O ZINC000499129389 1079048779 /nfs/dbraw/zinc/04/87/79/1079048779.db2.gz DCZDMTXSBIRBNC-KRWDZBQOSA-N 1 0 416.522 0.965 20 0 HCADRO COc1ccccc1N1C[C@H](C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)CC1=O ZINC000499129391 1079048903 /nfs/dbraw/zinc/04/89/03/1079048903.db2.gz DCZDMTXSBIRBNC-QGZVFWFLSA-N 1 0 416.522 0.965 20 0 HCADRO COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)CC2=O)cc1 ZINC000499130470 1079050272 /nfs/dbraw/zinc/05/02/72/1079050272.db2.gz KNLFSKQYEUGWTR-KRWDZBQOSA-N 1 0 416.522 0.965 20 0 HCADRO COc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)CC2=O)cc1 ZINC000499130471 1079050130 /nfs/dbraw/zinc/05/01/30/1079050130.db2.gz KNLFSKQYEUGWTR-QGZVFWFLSA-N 1 0 416.522 0.965 20 0 HCADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000499130762 1079050538 /nfs/dbraw/zinc/05/05/38/1079050538.db2.gz APJSEBIGGQFKNW-UHFFFAOYSA-N 1 0 424.567 0.823 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000499130807 1079050588 /nfs/dbraw/zinc/05/05/88/1079050588.db2.gz AXITXHYQGFVEKT-KRWDZBQOSA-N 1 0 416.588 0.497 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000499130808 1079050601 /nfs/dbraw/zinc/05/06/01/1079050601.db2.gz AXITXHYQGFVEKT-QGZVFWFLSA-N 1 0 416.588 0.497 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1 ZINC000499131467 1079050217 /nfs/dbraw/zinc/05/02/17/1079050217.db2.gz DGZOKLMKCGROEM-UHFFFAOYSA-N 1 0 402.495 0.719 20 0 HCADRO CCn1c2ccccc2n(CC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1=O ZINC000499131685 1079050594 /nfs/dbraw/zinc/05/05/94/1079050594.db2.gz RKNNOMHATXYTAO-UHFFFAOYSA-N 1 0 401.511 0.739 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 ZINC000499132482 1079050994 /nfs/dbraw/zinc/05/09/94/1079050994.db2.gz VMBQSHKKSULAFT-UHFFFAOYSA-N 1 0 411.506 0.822 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000499133253 1079051807 /nfs/dbraw/zinc/05/18/07/1079051807.db2.gz KDVWKYOLORRXFY-CALCHBBNSA-N 1 0 406.527 0.468 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000499133254 1079051796 /nfs/dbraw/zinc/05/17/96/1079051796.db2.gz KDVWKYOLORRXFY-IAGOWNOFSA-N 1 0 406.527 0.468 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000499133256 1079051910 /nfs/dbraw/zinc/05/19/10/1079051910.db2.gz KDVWKYOLORRXFY-IRXDYDNUSA-N 1 0 406.527 0.468 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000499133492 1079051902 /nfs/dbraw/zinc/05/19/02/1079051902.db2.gz LNZDARGKXNVMRP-UHFFFAOYSA-N 1 0 413.316 0.527 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000499133508 1079051894 /nfs/dbraw/zinc/05/18/94/1079051894.db2.gz ZLWSWUFGYCEEFK-IBGZPJMESA-N 1 0 400.523 0.952 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000499133509 1079051778 /nfs/dbraw/zinc/05/17/78/1079051778.db2.gz ZLWSWUFGYCEEFK-LJQANCHMSA-N 1 0 400.523 0.952 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000499133637 1079052275 /nfs/dbraw/zinc/05/22/75/1079052275.db2.gz ZXOGXFSAFGIIKT-UHFFFAOYSA-N 1 0 422.551 0.757 20 0 HCADRO COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000499134231 1079052216 /nfs/dbraw/zinc/05/22/16/1079052216.db2.gz NQUNGBWHFZIARV-FQEVSTJZSA-N 1 0 418.538 0.659 20 0 HCADRO COc1cccc(C[C@@H](NC(C)=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000499134236 1079052222 /nfs/dbraw/zinc/05/22/22/1079052222.db2.gz NQUNGBWHFZIARV-HXUWFJFHSA-N 1 0 418.538 0.659 20 0 HCADRO Cc1ccc([C@H](CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[NH+](C)C)cc1 ZINC000499134410 1079052129 /nfs/dbraw/zinc/05/21/29/1079052129.db2.gz GHPPYHVAXBITKX-INIZCTEOSA-N 1 0 412.494 0.551 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[NH+](C)C)cc1 ZINC000499134411 1079052250 /nfs/dbraw/zinc/05/22/50/1079052250.db2.gz GHPPYHVAXBITKX-MRXNPFEDSA-N 1 0 412.494 0.551 20 0 HCADRO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C2=O ZINC000499135065 1079052951 /nfs/dbraw/zinc/05/29/51/1079052951.db2.gz QEKOLCBJDJUUJK-UHFFFAOYSA-N 1 0 421.542 0.404 20 0 HCADRO Cc1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1NS(C)(=O)=O ZINC000499135569 1079048453 /nfs/dbraw/zinc/04/84/53/1079048453.db2.gz SJBWTMXRUOREKX-UHFFFAOYSA-N 1 0 410.540 0.897 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000499136074 1079053076 /nfs/dbraw/zinc/05/30/76/1079053076.db2.gz USSMTXXTEASDJE-UHFFFAOYSA-N 1 0 422.551 0.757 20 0 HCADRO CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000499136094 1079053044 /nfs/dbraw/zinc/05/30/44/1079053044.db2.gz UWIJPOFOTIXBFQ-UHFFFAOYSA-N 1 0 410.540 0.515 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000499138486 1079053529 /nfs/dbraw/zinc/05/35/29/1079053529.db2.gz FBAWMSKSONQMPU-INIZCTEOSA-N 1 0 404.492 0.562 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000499138487 1079053453 /nfs/dbraw/zinc/05/34/53/1079053453.db2.gz FBAWMSKSONQMPU-MRXNPFEDSA-N 1 0 404.492 0.562 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[NH+](C)C)c1 ZINC000499138893 1079054232 /nfs/dbraw/zinc/05/42/32/1079054232.db2.gz KEXPIMKWVQMFGX-KRWDZBQOSA-N 1 0 420.491 0.700 20 0 HCADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[NH+](C)C)c1 ZINC000499138894 1079054272 /nfs/dbraw/zinc/05/42/72/1079054272.db2.gz KEXPIMKWVQMFGX-QGZVFWFLSA-N 1 0 420.491 0.700 20 0 HCADRO CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)[C@H](C)CS(=O)(=O)CC ZINC000499139003 1079054642 /nfs/dbraw/zinc/05/46/42/1079054642.db2.gz LISPCUVYUNYCSU-BRWVUGGUSA-N 1 0 401.573 0.991 20 0 HCADRO CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)[C@@H](C)CS(=O)(=O)CC ZINC000499139004 1079054678 /nfs/dbraw/zinc/05/46/78/1079054678.db2.gz LISPCUVYUNYCSU-GVDBMIGSSA-N 1 0 401.573 0.991 20 0 HCADRO CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)[C@H](C)CS(=O)(=O)CC ZINC000499139005 1079054614 /nfs/dbraw/zinc/05/46/14/1079054614.db2.gz LISPCUVYUNYCSU-IXDOHACOSA-N 1 0 401.573 0.991 20 0 HCADRO CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)[C@@H](C)CS(=O)(=O)CC ZINC000499139006 1079054529 /nfs/dbraw/zinc/05/45/29/1079054529.db2.gz LISPCUVYUNYCSU-YESZJQIVSA-N 1 0 401.573 0.991 20 0 HCADRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000499139140 1079054293 /nfs/dbraw/zinc/05/42/93/1079054293.db2.gz NACBIZQLZOWRHP-UHFFFAOYSA-N 1 0 404.492 0.911 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(F)c1 ZINC000499139615 1079054629 /nfs/dbraw/zinc/05/46/29/1079054629.db2.gz PZEMZWQGDJAPJY-INIZCTEOSA-N 1 0 408.455 0.831 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(F)c1 ZINC000499139616 1079054650 /nfs/dbraw/zinc/05/46/50/1079054650.db2.gz PZEMZWQGDJAPJY-MRXNPFEDSA-N 1 0 408.455 0.831 20 0 HCADRO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+]1CCC(C)CC1 ZINC000499141900 1079055928 /nfs/dbraw/zinc/05/59/28/1079055928.db2.gz OBEKUVYEAPMJMH-INIZCTEOSA-N 1 0 422.551 0.657 20 0 HCADRO C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+]1CCC(C)CC1 ZINC000499141901 1079055832 /nfs/dbraw/zinc/05/58/32/1079055832.db2.gz OBEKUVYEAPMJMH-MRXNPFEDSA-N 1 0 422.551 0.657 20 0 HCADRO COCCN1C[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CC1=O ZINC000499143405 1079055905 /nfs/dbraw/zinc/05/59/05/1079055905.db2.gz XONXVJOZBVGLHX-IBGZPJMESA-N 1 0 422.570 0.712 20 0 HCADRO COCCN1C[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CC1=O ZINC000499143407 1079055800 /nfs/dbraw/zinc/05/58/00/1079055800.db2.gz XONXVJOZBVGLHX-LJQANCHMSA-N 1 0 422.570 0.712 20 0 HCADRO CN(CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)S(C)(=O)=O ZINC000499143655 1079056218 /nfs/dbraw/zinc/05/62/18/1079056218.db2.gz ZKBWTHNMAMHBKD-UHFFFAOYSA-N 1 0 402.561 0.109 20 0 HCADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000499146242 1079056960 /nfs/dbraw/zinc/05/69/60/1079056960.db2.gz KBMDDJHQWZYUIS-UHFFFAOYSA-N 1 0 416.503 0.837 20 0 HCADRO COC[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000499146577 1079057393 /nfs/dbraw/zinc/05/73/93/1079057393.db2.gz MSVWFWJYYRAZQB-FXAWDEMLSA-N 1 0 417.506 0.856 20 0 HCADRO COC[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000499146578 1079057315 /nfs/dbraw/zinc/05/73/15/1079057315.db2.gz MSVWFWJYYRAZQB-PXNSSMCTSA-N 1 0 417.506 0.856 20 0 HCADRO COC[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000499146579 1079057413 /nfs/dbraw/zinc/05/74/13/1079057413.db2.gz MSVWFWJYYRAZQB-XLIONFOSSA-N 1 0 417.506 0.856 20 0 HCADRO COC[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000499146580 1079057375 /nfs/dbraw/zinc/05/73/75/1079057375.db2.gz MSVWFWJYYRAZQB-YLJYHZDGSA-N 1 0 417.506 0.856 20 0 HCADRO C[NH+]1CCN(Cc2ccc(CNC(=O)CCc3nc(-c4nc[nH]n4)no3)cc2)CC1 ZINC000499146588 1079057295 /nfs/dbraw/zinc/05/72/95/1079057295.db2.gz MVUVGMUSLRUEQZ-UHFFFAOYSA-N 1 0 410.482 0.851 20 0 HCADRO O=C(CN1CCCS1(=O)=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000499149082 1079060603 /nfs/dbraw/zinc/06/06/03/1079060603.db2.gz KDZZIMCLTYLQHG-UHFFFAOYSA-N 1 0 414.572 0.253 20 0 HCADRO O=C(Cc1nc2ncccn2n1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000499149454 1079060103 /nfs/dbraw/zinc/06/01/03/1079060103.db2.gz IHSOAFVCYYDFHG-UHFFFAOYSA-N 1 0 413.526 0.898 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000499150614 1079061871 /nfs/dbraw/zinc/06/18/71/1079061871.db2.gz JFKOUAFPJJBECJ-UHFFFAOYSA-N 1 0 420.491 0.529 20 0 HCADRO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000499150753 1079061806 /nfs/dbraw/zinc/06/18/06/1079061806.db2.gz YUNXUTVKLGWTNC-AWEZNQCLSA-N 1 0 413.496 0.610 20 0 HCADRO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000499150754 1079061749 /nfs/dbraw/zinc/06/17/49/1079061749.db2.gz YUNXUTVKLGWTNC-CQSZACIVSA-N 1 0 413.496 0.610 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000499150763 1079061849 /nfs/dbraw/zinc/06/18/49/1079061849.db2.gz YVYLEMGVJUEHDS-UHFFFAOYSA-N 1 0 420.491 0.529 20 0 HCADRO CC(C)NC(=O)CN(C)CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000499152613 1079062891 /nfs/dbraw/zinc/06/28/91/1079062891.db2.gz SVPHHTOEYXZTNC-UHFFFAOYSA-N 1 0 423.602 0.674 20 0 HCADRO O=C(CCCN1C(=O)CNC1=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000499156220 1079058147 /nfs/dbraw/zinc/05/81/47/1079058147.db2.gz HGZMCWJQXDQTOT-UHFFFAOYSA-N 1 0 421.542 0.549 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCc3c(nnn3CCOC)C2)CC1=O ZINC000499160472 1079068129 /nfs/dbraw/zinc/06/81/29/1079068129.db2.gz IIEQYMXCCKQDBR-CVEARBPZSA-N 1 0 404.515 0.142 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCc3c(nnn3CCOC)C2)CC1=O ZINC000499160473 1079067997 /nfs/dbraw/zinc/06/79/97/1079067997.db2.gz IIEQYMXCCKQDBR-HOTGVXAUSA-N 1 0 404.515 0.142 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCc3c(nnn3CCOC)C2)CC1=O ZINC000499160474 1079068043 /nfs/dbraw/zinc/06/80/43/1079068043.db2.gz IIEQYMXCCKQDBR-HZPDHXFCSA-N 1 0 404.515 0.142 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCc3c(nnn3CCOC)C2)CC1=O ZINC000499160475 1079068116 /nfs/dbraw/zinc/06/81/16/1079068116.db2.gz IIEQYMXCCKQDBR-JKSUJKDBSA-N 1 0 404.515 0.142 20 0 HCADRO Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[NH+](C)C)cc1 ZINC000499160591 1079069282 /nfs/dbraw/zinc/06/92/82/1079069282.db2.gz YHFJJMCNDVSNMV-BZSNNMDCSA-N 1 0 407.536 0.750 20 0 HCADRO Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[NH+](C)C)cc1 ZINC000499160593 1079069177 /nfs/dbraw/zinc/06/91/77/1079069177.db2.gz YHFJJMCNDVSNMV-KSZLIROESA-N 1 0 407.536 0.750 20 0 HCADRO Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[NH+](C)C)cc1 ZINC000499160595 1079069237 /nfs/dbraw/zinc/06/92/37/1079069237.db2.gz YHFJJMCNDVSNMV-KURKYZTESA-N 1 0 407.536 0.750 20 0 HCADRO Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[NH+](C)C)cc1 ZINC000499160597 1079069190 /nfs/dbraw/zinc/06/91/90/1079069190.db2.gz YHFJJMCNDVSNMV-SQNIBIBYSA-N 1 0 407.536 0.750 20 0 HCADRO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000499161612 1079070231 /nfs/dbraw/zinc/07/02/31/1079070231.db2.gz NCEYYRONEVGXCR-GOSISDBHSA-N 1 0 404.511 0.825 20 0 HCADRO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000499161613 1079070056 /nfs/dbraw/zinc/07/00/56/1079070056.db2.gz NCEYYRONEVGXCR-SFHVURJKSA-N 1 0 404.511 0.825 20 0 HCADRO CN(C)C(=O)COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000499162481 1079069837 /nfs/dbraw/zinc/06/98/37/1079069837.db2.gz BFTYFMWRTBKISV-GOSISDBHSA-N 1 0 420.510 0.661 20 0 HCADRO CN(C)C(=O)COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000499162483 1079069744 /nfs/dbraw/zinc/06/97/44/1079069744.db2.gz BFTYFMWRTBKISV-SFHVURJKSA-N 1 0 420.510 0.661 20 0 HCADRO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000499163361 1079070530 /nfs/dbraw/zinc/07/05/30/1079070530.db2.gz GEYHIWORGMEKJT-HNNXBMFYSA-N 1 0 406.483 0.563 20 0 HCADRO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000499163362 1079070583 /nfs/dbraw/zinc/07/05/83/1079070583.db2.gz GEYHIWORGMEKJT-OAHLLOKOSA-N 1 0 406.483 0.563 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000499163973 1079071391 /nfs/dbraw/zinc/07/13/91/1079071391.db2.gz JOBDFKBLWSAKOH-INIZCTEOSA-N 1 0 405.499 0.426 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000499163974 1079071428 /nfs/dbraw/zinc/07/14/28/1079071428.db2.gz JOBDFKBLWSAKOH-MRXNPFEDSA-N 1 0 405.499 0.426 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1-n1cnnn1 ZINC000499164105 1079071507 /nfs/dbraw/zinc/07/15/07/1079071507.db2.gz ZNFBYOZRXBRUDB-INIZCTEOSA-N 1 0 401.471 0.478 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1-n1cnnn1 ZINC000499164106 1079071542 /nfs/dbraw/zinc/07/15/42/1079071542.db2.gz ZNFBYOZRXBRUDB-MRXNPFEDSA-N 1 0 401.471 0.478 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000499166969 1079064983 /nfs/dbraw/zinc/06/49/83/1079064983.db2.gz FWIQUEBGYPJPLR-GOSISDBHSA-N 1 0 400.483 0.834 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000499166970 1079064957 /nfs/dbraw/zinc/06/49/57/1079064957.db2.gz FWIQUEBGYPJPLR-SFHVURJKSA-N 1 0 400.483 0.834 20 0 HCADRO CN1CC(=O)N(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1=O ZINC000499167787 1079073071 /nfs/dbraw/zinc/07/30/71/1079073071.db2.gz HNRQJPPYPPEVPQ-UHFFFAOYSA-N 1 0 407.515 0.111 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000499169287 1079073463 /nfs/dbraw/zinc/07/34/63/1079073463.db2.gz MVJMVATVZODGSG-GOSISDBHSA-N 1 0 400.483 0.834 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000499169290 1079073417 /nfs/dbraw/zinc/07/34/17/1079073417.db2.gz MVJMVATVZODGSG-SFHVURJKSA-N 1 0 400.483 0.834 20 0 HCADRO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000499171092 1079074887 /nfs/dbraw/zinc/07/48/87/1079074887.db2.gz RBJTVSWBVKZLCD-INIZCTEOSA-N 1 0 420.510 0.905 20 0 HCADRO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000499171095 1079074910 /nfs/dbraw/zinc/07/49/10/1079074910.db2.gz RBJTVSWBVKZLCD-MRXNPFEDSA-N 1 0 420.510 0.905 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000499173210 1079075933 /nfs/dbraw/zinc/07/59/33/1079075933.db2.gz VUCBWABAONTTAT-KRWDZBQOSA-N 1 0 400.483 0.834 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000499173212 1079075764 /nfs/dbraw/zinc/07/57/64/1079075764.db2.gz VUCBWABAONTTAT-QGZVFWFLSA-N 1 0 400.483 0.834 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000499174504 1079076900 /nfs/dbraw/zinc/07/69/00/1079076900.db2.gz YANWMQVYQMTHCU-KRWDZBQOSA-N 1 0 403.483 0.724 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000499174505 1079076971 /nfs/dbraw/zinc/07/69/71/1079076971.db2.gz YANWMQVYQMTHCU-QGZVFWFLSA-N 1 0 403.483 0.724 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000499174672 1079077885 /nfs/dbraw/zinc/07/78/85/1079077885.db2.gz YYFQAOAAEHPSKZ-HNNXBMFYSA-N 1 0 404.471 0.175 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000499174673 1079077716 /nfs/dbraw/zinc/07/77/16/1079077716.db2.gz YYFQAOAAEHPSKZ-OAHLLOKOSA-N 1 0 404.471 0.175 20 0 HCADRO C[C@@H]1Oc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc2NC1=O ZINC000499178672 1079079508 /nfs/dbraw/zinc/07/95/08/1079079508.db2.gz BXTFOFSHHXHSKP-DZGCQCFKSA-N 1 0 404.467 0.914 20 0 HCADRO C[C@H]1Oc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc2NC1=O ZINC000499178673 1079079870 /nfs/dbraw/zinc/07/98/70/1079079870.db2.gz BXTFOFSHHXHSKP-HIFRSBDPSA-N 1 0 404.467 0.914 20 0 HCADRO C[C@H]1Oc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc2NC1=O ZINC000499178676 1079080029 /nfs/dbraw/zinc/08/00/29/1079080029.db2.gz BXTFOFSHHXHSKP-UKRRQHHQSA-N 1 0 404.467 0.914 20 0 HCADRO C[C@@H]1Oc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc2NC1=O ZINC000499178678 1079079955 /nfs/dbraw/zinc/07/99/55/1079079955.db2.gz BXTFOFSHHXHSKP-ZFWWWQNUSA-N 1 0 404.467 0.914 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000499179096 1079079410 /nfs/dbraw/zinc/07/94/10/1079079410.db2.gz WCYWPQRTPDVUPY-CYBMUJFWSA-N 1 0 415.487 0.737 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000499179101 1079079435 /nfs/dbraw/zinc/07/94/35/1079079435.db2.gz WCYWPQRTPDVUPY-ZDUSSCGKSA-N 1 0 415.487 0.737 20 0 HCADRO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000499179966 1079079939 /nfs/dbraw/zinc/07/99/39/1079079939.db2.gz YSACOHBPWFWLJC-INIZCTEOSA-N 1 0 411.524 0.988 20 0 HCADRO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000499179968 1079079829 /nfs/dbraw/zinc/07/98/29/1079079829.db2.gz YSACOHBPWFWLJC-MRXNPFEDSA-N 1 0 411.524 0.988 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000499180884 1079080289 /nfs/dbraw/zinc/08/02/89/1079080289.db2.gz MBVRDLWWLCKCFU-INIZCTEOSA-N 1 0 411.524 0.739 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000499180885 1079080402 /nfs/dbraw/zinc/08/04/02/1079080402.db2.gz MBVRDLWWLCKCFU-MRXNPFEDSA-N 1 0 411.524 0.739 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000499181579 1079079990 /nfs/dbraw/zinc/07/99/90/1079079990.db2.gz PNGUTGZOGHDOCR-KRWDZBQOSA-N 1 0 411.524 0.739 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000499181580 1079080416 /nfs/dbraw/zinc/08/04/16/1079080416.db2.gz PNGUTGZOGHDOCR-QGZVFWFLSA-N 1 0 411.524 0.739 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000499182049 1079081284 /nfs/dbraw/zinc/08/12/84/1079081284.db2.gz RXRXESAGXKRBLA-KRWDZBQOSA-N 1 0 411.524 0.739 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000499182050 1079081306 /nfs/dbraw/zinc/08/13/06/1079081306.db2.gz RXRXESAGXKRBLA-QGZVFWFLSA-N 1 0 411.524 0.739 20 0 HCADRO Cn1c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc2n(C)c1=O ZINC000499182068 1079081297 /nfs/dbraw/zinc/08/12/97/1079081297.db2.gz SEEWIKKNHONUAS-HNNXBMFYSA-N 1 0 403.483 0.385 20 0 HCADRO Cn1c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc2n(C)c1=O ZINC000499182069 1079081222 /nfs/dbraw/zinc/08/12/22/1079081222.db2.gz SEEWIKKNHONUAS-OAHLLOKOSA-N 1 0 403.483 0.385 20 0 HCADRO CN1C(=O)c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc2C1=O ZINC000499182380 1079080845 /nfs/dbraw/zinc/08/08/45/1079080845.db2.gz WLCCLZRZUSDNSV-AWEZNQCLSA-N 1 0 402.451 0.420 20 0 HCADRO CN1C(=O)c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc2C1=O ZINC000499182381 1079081257 /nfs/dbraw/zinc/08/12/57/1079081257.db2.gz WLCCLZRZUSDNSV-CQSZACIVSA-N 1 0 402.451 0.420 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c2ccccc2O1 ZINC000499185453 1079083018 /nfs/dbraw/zinc/08/30/18/1079083018.db2.gz BMPYISHGVQYFQH-CRAIPNDOSA-N 1 0 418.494 0.096 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c2ccccc2O1 ZINC000499185454 1079082995 /nfs/dbraw/zinc/08/29/95/1079082995.db2.gz BMPYISHGVQYFQH-MAUKXSAKSA-N 1 0 418.494 0.096 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c2ccccc2O1 ZINC000499185457 1079083066 /nfs/dbraw/zinc/08/30/66/1079083066.db2.gz BMPYISHGVQYFQH-QAPCUYQASA-N 1 0 418.494 0.096 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c2ccccc2O1 ZINC000499185459 1079083029 /nfs/dbraw/zinc/08/30/29/1079083029.db2.gz BMPYISHGVQYFQH-YJBOKZPZSA-N 1 0 418.494 0.096 20 0 HCADRO CN(C)C(=O)COc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000499185761 1079078392 /nfs/dbraw/zinc/07/83/92/1079078392.db2.gz CTLRACFOKLGMRV-GOSISDBHSA-N 1 0 420.510 0.661 20 0 HCADRO CN(C)C(=O)COc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000499185763 1079078229 /nfs/dbraw/zinc/07/82/29/1079078229.db2.gz CTLRACFOKLGMRV-SFHVURJKSA-N 1 0 420.510 0.661 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CCc3nc(COC)nn3C2)CC1 ZINC000499194622 1079085680 /nfs/dbraw/zinc/08/56/80/1079085680.db2.gz SIBWVPJPNSYWMN-INIZCTEOSA-N 1 0 424.546 0.508 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)CC1 ZINC000499194623 1079085528 /nfs/dbraw/zinc/08/55/28/1079085528.db2.gz SIBWVPJPNSYWMN-MRXNPFEDSA-N 1 0 424.546 0.508 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)c1 ZINC000499200001 1079090364 /nfs/dbraw/zinc/09/03/64/1079090364.db2.gz AKKLXBNZXAHEKU-KRWDZBQOSA-N 1 0 415.494 0.739 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000499200002 1079090273 /nfs/dbraw/zinc/09/02/73/1079090273.db2.gz AKKLXBNZXAHEKU-QGZVFWFLSA-N 1 0 415.494 0.739 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000499204383 1079091652 /nfs/dbraw/zinc/09/16/52/1079091652.db2.gz UNNCAWXKRNEGDR-KRWDZBQOSA-N 1 0 405.499 0.426 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000499204384 1079091666 /nfs/dbraw/zinc/09/16/66/1079091666.db2.gz UNNCAWXKRNEGDR-QGZVFWFLSA-N 1 0 405.499 0.426 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000499206723 1079093016 /nfs/dbraw/zinc/09/30/16/1079093016.db2.gz AMXNHYUFEZKKAA-KRWDZBQOSA-N 1 0 403.483 0.724 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000499206725 1079092911 /nfs/dbraw/zinc/09/29/11/1079092911.db2.gz AMXNHYUFEZKKAA-QGZVFWFLSA-N 1 0 403.483 0.724 20 0 HCADRO Cn1cnnc1-c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000499210603 1079093354 /nfs/dbraw/zinc/09/33/54/1079093354.db2.gz GTIWWWZZIGUHAW-KRWDZBQOSA-N 1 0 400.483 0.990 20 0 HCADRO Cn1cnnc1-c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000499210606 1079093305 /nfs/dbraw/zinc/09/33/05/1079093305.db2.gz GTIWWWZZIGUHAW-QGZVFWFLSA-N 1 0 400.483 0.990 20 0 HCADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000499216821 1079097934 /nfs/dbraw/zinc/09/79/34/1079097934.db2.gz TYAFKOHVGMLZCJ-KRWDZBQOSA-N 1 0 401.471 0.478 20 0 HCADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000499216822 1079098010 /nfs/dbraw/zinc/09/80/10/1079098010.db2.gz TYAFKOHVGMLZCJ-QGZVFWFLSA-N 1 0 401.471 0.478 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC)c1 ZINC000499218497 1079098031 /nfs/dbraw/zinc/09/80/31/1079098031.db2.gz YFHNJEWXKZSDDZ-DLBZAZTESA-N 1 0 417.510 0.936 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)NC)c1 ZINC000499218499 1079097962 /nfs/dbraw/zinc/09/79/62/1079097962.db2.gz YFHNJEWXKZSDDZ-IAGOWNOFSA-N 1 0 417.510 0.936 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)NC)c1 ZINC000499218501 1079098079 /nfs/dbraw/zinc/09/80/79/1079098079.db2.gz YFHNJEWXKZSDDZ-IRXDYDNUSA-N 1 0 417.510 0.936 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)NC)c1 ZINC000499218503 1079098517 /nfs/dbraw/zinc/09/85/17/1079098517.db2.gz YFHNJEWXKZSDDZ-SJORKVTESA-N 1 0 417.510 0.936 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000499219022 1079099243 /nfs/dbraw/zinc/09/92/43/1079099243.db2.gz ZTZRQYSXFAVAHO-HNNXBMFYSA-N 1 0 412.512 0.102 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000499219024 1079099790 /nfs/dbraw/zinc/09/97/90/1079099790.db2.gz ZTZRQYSXFAVAHO-OAHLLOKOSA-N 1 0 412.512 0.102 20 0 HCADRO CCC[C@H]1CN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[N@@H+]1CCOC ZINC000499227915 1079106292 /nfs/dbraw/zinc/10/62/92/1079106292.db2.gz JSAOEHSTUGWXTG-HNNXBMFYSA-N 1 0 418.498 0.597 20 0 HCADRO CCC[C@@H]1CN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[N@@H+]1CCOC ZINC000499228116 1079105852 /nfs/dbraw/zinc/10/58/52/1079105852.db2.gz JSAOEHSTUGWXTG-OAHLLOKOSA-N 1 0 418.498 0.597 20 0 HCADRO CN1CCC(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)([NH+]2CCCCC2)CC1 ZINC000499231155 1079102112 /nfs/dbraw/zinc/10/21/12/1079102112.db2.gz GUAXXMWURVIIBH-RBUKOAKNSA-N 1 0 422.570 0.459 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCC(OCCO)CC2)c1 ZINC000499258360 1079118623 /nfs/dbraw/zinc/11/86/23/1079118623.db2.gz AGCKSLQKZLKYPT-UHFFFAOYSA-N 1 0 420.510 0.905 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)c1 ZINC000499262620 1079120041 /nfs/dbraw/zinc/12/00/41/1079120041.db2.gz KZYKUTCEVMYSBW-KRWDZBQOSA-N 1 0 416.482 0.489 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)c1 ZINC000499262623 1079120096 /nfs/dbraw/zinc/12/00/96/1079120096.db2.gz KZYKUTCEVMYSBW-QGZVFWFLSA-N 1 0 416.482 0.489 20 0 HCADRO Cc1cccn(Cc2c(F)cccc2NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1=O ZINC000499263489 1079121099 /nfs/dbraw/zinc/12/10/99/1079121099.db2.gz AUWBFJXMIUHTRM-NRFANRHFSA-N 1 0 418.469 0.711 20 0 HCADRO Cc1cccn(Cc2c(F)cccc2NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1=O ZINC000499263494 1079121137 /nfs/dbraw/zinc/12/11/37/1079121137.db2.gz AUWBFJXMIUHTRM-OAQYLSRUSA-N 1 0 418.469 0.711 20 0 HCADRO Cc1cc(I)cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000499266136 1079124272 /nfs/dbraw/zinc/12/42/72/1079124272.db2.gz HJIDVDMUJLFPDX-HNNXBMFYSA-N 1 0 419.263 0.967 20 0 HCADRO Cc1cc(I)cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000499266137 1079124093 /nfs/dbraw/zinc/12/40/93/1079124093.db2.gz HJIDVDMUJLFPDX-OAHLLOKOSA-N 1 0 419.263 0.967 20 0 HCADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000499269812 1079127080 /nfs/dbraw/zinc/12/70/80/1079127080.db2.gz NSUCQDCMWOKUIC-GOSISDBHSA-N 1 0 400.426 0.169 20 0 HCADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000499269814 1079126962 /nfs/dbraw/zinc/12/69/62/1079126962.db2.gz NSUCQDCMWOKUIC-SFHVURJKSA-N 1 0 400.426 0.169 20 0 HCADRO COCc1csc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000499269937 1079127141 /nfs/dbraw/zinc/12/71/41/1079127141.db2.gz FUVVLPHKOLEMGO-XYPWUTKMSA-N 1 0 407.540 0.997 20 0 HCADRO CCOC(=O)C(C)(C)c1csc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)n1 ZINC000499270812 1079126886 /nfs/dbraw/zinc/12/68/86/1079126886.db2.gz IEYKSEGTJLVNJC-KRWDZBQOSA-N 1 0 400.501 0.351 20 0 HCADRO CCOC(=O)C(C)(C)c1csc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000499270813 1079127333 /nfs/dbraw/zinc/12/73/33/1079127333.db2.gz IEYKSEGTJLVNJC-QGZVFWFLSA-N 1 0 400.501 0.351 20 0 HCADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000499271953 1079123734 /nfs/dbraw/zinc/12/37/34/1079123734.db2.gz RHNFXOPUALLHIF-INIZCTEOSA-N 1 0 410.272 0.760 20 0 HCADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000499271954 1079123773 /nfs/dbraw/zinc/12/37/73/1079123773.db2.gz RHNFXOPUALLHIF-MRXNPFEDSA-N 1 0 410.272 0.760 20 0 HCADRO COc1cc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc(S(C)(=O)=O)c1 ZINC000499275194 1079127360 /nfs/dbraw/zinc/12/73/60/1079127360.db2.gz OQRPAOJAGBMRSA-CYBMUJFWSA-N 1 0 418.475 0.827 20 0 HCADRO COc1cc(NC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)cc(S(C)(=O)=O)c1 ZINC000499275197 1079127422 /nfs/dbraw/zinc/12/74/22/1079127422.db2.gz OQRPAOJAGBMRSA-ZDUSSCGKSA-N 1 0 418.475 0.827 20 0 HCADRO COC1CCC(CNC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC000499275375 1079127456 /nfs/dbraw/zinc/12/74/56/1079127456.db2.gz PYJRYQKQTVMPQU-UHFFFAOYSA-N 1 0 408.543 0.320 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOC4(CCC4)C3)CC2)cc1 ZINC000499275780 1079127478 /nfs/dbraw/zinc/12/74/78/1079127478.db2.gz NACJBNKBZXBUII-UHFFFAOYSA-N 1 0 423.535 0.783 20 0 HCADRO O=C1CC[C@H]2CN(CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN12 ZINC000499276850 1079127512 /nfs/dbraw/zinc/12/75/12/1079127512.db2.gz PWGQEYQSBPBHFN-INIZCTEOSA-N 1 0 409.508 0.393 20 0 HCADRO O=C1CC[C@@H]2CN(CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN12 ZINC000499276852 1079127398 /nfs/dbraw/zinc/12/73/98/1079127398.db2.gz PWGQEYQSBPBHFN-MRXNPFEDSA-N 1 0 409.508 0.393 20 0 HCADRO COCc1cnc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000499279793 1079128912 /nfs/dbraw/zinc/12/89/12/1079128912.db2.gz KDJPBCWIYRRUBB-YIONKMFJSA-N 1 0 407.540 0.997 20 0 HCADRO COc1ccc(C[NH+]2CCC(CNC(=O)Cn3ccc(=O)n(C)c3=O)CC2)cc1 ZINC000499279900 1079128951 /nfs/dbraw/zinc/12/89/51/1079128951.db2.gz FWHMVLKUADPNFQ-UHFFFAOYSA-N 1 0 400.479 0.584 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)Nc3cccc4c3CNC4=O)CC2)CC1 ZINC000499292775 1079134992 /nfs/dbraw/zinc/13/49/92/1079134992.db2.gz GFSRZANRDWNWAN-UHFFFAOYSA-N 1 0 413.522 0.886 20 0 HCADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cccc2c1CNC2=O ZINC000499294073 1079135010 /nfs/dbraw/zinc/13/50/10/1079135010.db2.gz KLEXJOAIICGYPR-CVEARBPZSA-N 1 0 408.458 0.620 20 0 HCADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cccc2c1CNC2=O ZINC000499294078 1079135579 /nfs/dbraw/zinc/13/55/79/1079135579.db2.gz KLEXJOAIICGYPR-HOTGVXAUSA-N 1 0 408.458 0.620 20 0 HCADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cccc2c1CNC2=O ZINC000499294082 1079135528 /nfs/dbraw/zinc/13/55/28/1079135528.db2.gz KLEXJOAIICGYPR-HZPDHXFCSA-N 1 0 408.458 0.620 20 0 HCADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cccc2c1CNC2=O ZINC000499294085 1079135549 /nfs/dbraw/zinc/13/55/49/1079135549.db2.gz KLEXJOAIICGYPR-JKSUJKDBSA-N 1 0 408.458 0.620 20 0 HCADRO COCc1cnc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)s1 ZINC000499295659 1079135417 /nfs/dbraw/zinc/13/54/17/1079135417.db2.gz PROJFMCNFXMXDK-CABCVRRESA-N 1 0 404.492 0.980 20 0 HCADRO COCc1cnc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)s1 ZINC000499295661 1079135460 /nfs/dbraw/zinc/13/54/60/1079135460.db2.gz PROJFMCNFXMXDK-GJZGRUSLSA-N 1 0 404.492 0.980 20 0 HCADRO COCc1cnc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)s1 ZINC000499295663 1079135598 /nfs/dbraw/zinc/13/55/98/1079135598.db2.gz PROJFMCNFXMXDK-HUUCEWRRSA-N 1 0 404.492 0.980 20 0 HCADRO COCc1cnc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)s1 ZINC000499295665 1079135474 /nfs/dbraw/zinc/13/54/74/1079135474.db2.gz PROJFMCNFXMXDK-LSDHHAIUSA-N 1 0 404.492 0.980 20 0 HCADRO COCc1csc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000499297638 1079136039 /nfs/dbraw/zinc/13/60/39/1079136039.db2.gz YYKYOXNLSLVDCL-CVEARBPZSA-N 1 0 404.492 0.980 20 0 HCADRO COCc1csc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000499297639 1079136051 /nfs/dbraw/zinc/13/60/51/1079136051.db2.gz YYKYOXNLSLVDCL-HOTGVXAUSA-N 1 0 404.492 0.980 20 0 HCADRO COCc1csc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000499297640 1079136043 /nfs/dbraw/zinc/13/60/43/1079136043.db2.gz YYKYOXNLSLVDCL-HZPDHXFCSA-N 1 0 404.492 0.980 20 0 HCADRO COCc1csc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000499297641 1079136034 /nfs/dbraw/zinc/13/60/34/1079136034.db2.gz YYKYOXNLSLVDCL-JKSUJKDBSA-N 1 0 404.492 0.980 20 0 HCADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000499310905 1079137576 /nfs/dbraw/zinc/13/75/76/1079137576.db2.gz GSXHZTVTJNQUHQ-UHFFFAOYSA-N 1 0 424.567 1.000 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000499311774 1079138971 /nfs/dbraw/zinc/13/89/71/1079138971.db2.gz JJKXTJNWQVXVOT-UHFFFAOYSA-N 1 0 424.567 1.000 20 0 HCADRO 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ZINC000499328927 1079142992 /nfs/dbraw/zinc/14/29/92/1079142992.db2.gz PETQVVXMRLWASK-CQSZACIVSA-N 1 0 407.490 0.397 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CCO1 ZINC000499339624 1079148538 /nfs/dbraw/zinc/14/85/38/1079148538.db2.gz MLWMXAAIKMPBRF-AEFFLSMTSA-N 1 0 408.543 0.511 20 0 HCADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CCO1 ZINC000499339627 1079148509 /nfs/dbraw/zinc/14/85/09/1079148509.db2.gz MLWMXAAIKMPBRF-FUHWJXTLSA-N 1 0 408.543 0.511 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CCO1 ZINC000499339630 1079148515 /nfs/dbraw/zinc/14/85/15/1079148515.db2.gz MLWMXAAIKMPBRF-SJLPKXTDSA-N 1 0 408.543 0.511 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CCO1 ZINC000499339708 1079148076 /nfs/dbraw/zinc/14/80/76/1079148076.db2.gz MLWMXAAIKMPBRF-WMZOPIPTSA-N 1 0 408.543 0.511 20 0 HCADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CCO1 ZINC000499343061 1078832176 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ZWGIXSXHZBBHCK-SJLPKXTDSA-N 1 0 410.559 0.757 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCO[C@@H](C)C2)CC1 ZINC000499351881 1079448300 /nfs/dbraw/zinc/44/83/00/1079448300.db2.gz ZWGIXSXHZBBHCK-WMZOPIPTSA-N 1 0 410.559 0.757 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCO1 ZINC000499379127 1079653503 /nfs/dbraw/zinc/65/35/03/1079653503.db2.gz SSUTVAOKJUABAX-MSOLQXFVSA-N 1 0 418.538 0.959 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCO1 ZINC000499379128 1079653847 /nfs/dbraw/zinc/65/38/47/1079653847.db2.gz SSUTVAOKJUABAX-QZTJIDSGSA-N 1 0 418.538 0.959 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCO1 ZINC000499379129 1079653548 /nfs/dbraw/zinc/65/35/48/1079653548.db2.gz SSUTVAOKJUABAX-ROUUACIJSA-N 1 0 418.538 0.959 20 0 HCADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCO1 ZINC000499379130 1079653564 /nfs/dbraw/zinc/65/35/64/1079653564.db2.gz SSUTVAOKJUABAX-ZWKOTPCHSA-N 1 0 418.538 0.959 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000499381373 1079769703 /nfs/dbraw/zinc/76/97/03/1079769703.db2.gz IGVMYIFYXVFAPA-UHFFFAOYSA-N 1 0 420.510 0.353 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000499384132 1079807714 /nfs/dbraw/zinc/80/77/14/1079807714.db2.gz PVRXDFHYZPDHJY-CYBMUJFWSA-N 1 0 423.564 0.636 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000499384133 1079807883 /nfs/dbraw/zinc/80/78/83/1079807883.db2.gz PVRXDFHYZPDHJY-ZDUSSCGKSA-N 1 0 423.564 0.636 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000499384198 1079803724 /nfs/dbraw/zinc/80/37/24/1079803724.db2.gz QDFPHKQWIKHVLU-GXTWGEPZSA-N 1 0 409.508 0.920 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000499384208 1079803733 /nfs/dbraw/zinc/80/37/33/1079803733.db2.gz QDFPHKQWIKHVLU-JSGCOSHPSA-N 1 0 409.508 0.920 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000499384210 1079804323 /nfs/dbraw/zinc/80/43/23/1079804323.db2.gz QDFPHKQWIKHVLU-OCCSQVGLSA-N 1 0 409.508 0.920 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000499384212 1079803759 /nfs/dbraw/zinc/80/37/59/1079803759.db2.gz QDFPHKQWIKHVLU-TZMCWYRMSA-N 1 0 409.508 0.920 20 0 HCADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C[N@@H+]1C1CC1 ZINC000499385427 1080034978 /nfs/dbraw/zinc/03/49/78/1080034978.db2.gz ALFIUMWHMIXEJC-AAEUAGOBSA-N 1 0 412.487 0.756 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C[N@@H+]1C1CC1 ZINC000499385432 1080035560 /nfs/dbraw/zinc/03/55/60/1080035560.db2.gz ALFIUMWHMIXEJC-DGCLKSJQSA-N 1 0 412.487 0.756 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C[N@@H+]1C1CC1 ZINC000499385433 1080035742 /nfs/dbraw/zinc/03/57/42/1080035742.db2.gz ALFIUMWHMIXEJC-WCQYABFASA-N 1 0 412.487 0.756 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C[N@@H+]1C1CC1 ZINC000499385434 1080035703 /nfs/dbraw/zinc/03/57/03/1080035703.db2.gz ALFIUMWHMIXEJC-YPMHNXCESA-N 1 0 412.487 0.756 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1F ZINC000499386524 1080061716 /nfs/dbraw/zinc/06/17/16/1080061716.db2.gz DKOGGDXDFDWQGI-UHFFFAOYSA-N 1 0 414.503 0.909 20 0 HCADRO COC(=O)c1c(C)csc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000499386896 1080074081 /nfs/dbraw/zinc/07/40/81/1080074081.db2.gz FJRGBRVAJBICDV-CYBMUJFWSA-N 1 0 422.507 0.547 20 0 HCADRO COC(=O)c1c(C)csc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000499386897 1080073830 /nfs/dbraw/zinc/07/38/30/1080073830.db2.gz FJRGBRVAJBICDV-ZDUSSCGKSA-N 1 0 422.507 0.547 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)c1 ZINC000499388084 1080074849 /nfs/dbraw/zinc/07/48/49/1080074849.db2.gz KHPOSKMLNPMGLY-UHFFFAOYSA-N 1 0 424.523 0.553 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C(=O)NC)C(C)C)c1 ZINC000499389856 1080075991 /nfs/dbraw/zinc/07/59/91/1080075991.db2.gz MDUXPDOKJRHXDA-KRWDZBQOSA-N 1 0 405.499 0.792 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)c1 ZINC000499389970 1080075920 /nfs/dbraw/zinc/07/59/20/1080075920.db2.gz IFLSBEHRNNALIA-INIZCTEOSA-N 1 0 424.523 0.599 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)c1 ZINC000499389971 1080076073 /nfs/dbraw/zinc/07/60/73/1080076073.db2.gz IFLSBEHRNNALIA-MRXNPFEDSA-N 1 0 424.523 0.599 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC2(CO)CCOCC2)c1 ZINC000499392629 1080078087 /nfs/dbraw/zinc/07/80/87/1080078087.db2.gz UNLCQTZRFPVKNN-UHFFFAOYSA-N 1 0 420.510 0.811 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000499393236 1080078976 /nfs/dbraw/zinc/07/89/76/1080078976.db2.gz GWRWIZBCYFAAOL-CVEARBPZSA-N 1 0 419.482 0.055 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000499393238 1080078995 /nfs/dbraw/zinc/07/89/95/1080078995.db2.gz GWRWIZBCYFAAOL-HOTGVXAUSA-N 1 0 419.482 0.055 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 ZINC000499393240 1080079058 /nfs/dbraw/zinc/07/90/58/1080079058.db2.gz GWRWIZBCYFAAOL-HZPDHXFCSA-N 1 0 419.482 0.055 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000499393242 1080079043 /nfs/dbraw/zinc/07/90/43/1080079043.db2.gz GWRWIZBCYFAAOL-JKSUJKDBSA-N 1 0 419.482 0.055 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cccc(F)c2Cl)cn1 ZINC000499393504 1080079053 /nfs/dbraw/zinc/07/90/53/1080079053.db2.gz RCCOAHDZOSDJFT-UHFFFAOYSA-N 1 0 410.837 0.931 20 0 HCADRO CCc1cc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)ccc1F ZINC000499395878 1080091600 /nfs/dbraw/zinc/09/16/00/1080091600.db2.gz YWHYVLFGHSCOGI-UHFFFAOYSA-N 1 0 404.446 0.840 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)N(C)C)c1 ZINC000499402361 1080211396 /nfs/dbraw/zinc/21/13/96/1080211396.db2.gz APHBPNMKNOJUKV-KRWDZBQOSA-N 1 0 417.510 0.985 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000499402364 1080211308 /nfs/dbraw/zinc/21/13/08/1080211308.db2.gz APHBPNMKNOJUKV-QGZVFWFLSA-N 1 0 417.510 0.985 20 0 HCADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000499402591 1080209314 /nfs/dbraw/zinc/20/93/14/1080209314.db2.gz AJMCSXNHSYBPLW-CYBMUJFWSA-N 1 0 418.491 0.145 20 0 HCADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000499402592 1080209470 /nfs/dbraw/zinc/20/94/70/1080209470.db2.gz AJMCSXNHSYBPLW-ZDUSSCGKSA-N 1 0 418.491 0.145 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1F ZINC000499404675 1080236190 /nfs/dbraw/zinc/23/61/90/1080236190.db2.gz HNMRDIIMMSYPPP-LLVKDONJSA-N 1 0 402.492 0.765 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1F ZINC000499404683 1080236115 /nfs/dbraw/zinc/23/61/15/1080236115.db2.gz HNMRDIIMMSYPPP-NSHDSACASA-N 1 0 402.492 0.765 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)Cc2nnnn2C)c1 ZINC000499404955 1080269396 /nfs/dbraw/zinc/26/93/96/1080269396.db2.gz DRLHJBRNVUMRTA-UHFFFAOYSA-N 1 0 402.459 0.088 20 0 HCADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000499405983 1080274845 /nfs/dbraw/zinc/27/48/45/1080274845.db2.gz OPGXCZOWWSKTJK-AWEZNQCLSA-N 1 0 422.457 0.891 20 0 HCADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000499405984 1080274879 /nfs/dbraw/zinc/27/48/79/1080274879.db2.gz OPGXCZOWWSKTJK-CQSZACIVSA-N 1 0 422.457 0.891 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@@H](CO)OC[C@H]2C)c1 ZINC000499411093 1080329829 /nfs/dbraw/zinc/32/98/29/1080329829.db2.gz HBYLNEVZXIHJRO-PBHICJAKSA-N 1 0 406.483 0.514 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@H](CO)OC[C@H]2C)c1 ZINC000499411094 1080329807 /nfs/dbraw/zinc/32/98/07/1080329807.db2.gz HBYLNEVZXIHJRO-RHSMWYFYSA-N 1 0 406.483 0.514 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@H](CO)OC[C@@H]2C)c1 ZINC000499411095 1080329754 /nfs/dbraw/zinc/32/97/54/1080329754.db2.gz HBYLNEVZXIHJRO-WMLDXEAASA-N 1 0 406.483 0.514 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000499411096 1080329681 /nfs/dbraw/zinc/32/96/81/1080329681.db2.gz HBYLNEVZXIHJRO-YOEHRIQHSA-N 1 0 406.483 0.514 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC(C)(C)C(=O)NC)c1 ZINC000499412405 1080330315 /nfs/dbraw/zinc/33/03/15/1080330315.db2.gz JEBYIUKELGVHSP-UHFFFAOYSA-N 1 0 405.499 0.794 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000499413039 1080332763 /nfs/dbraw/zinc/33/27/63/1080332763.db2.gz RZMDAOCJQYPKGS-FQEVSTJZSA-N 1 0 423.517 0.655 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000499413040 1080332857 /nfs/dbraw/zinc/33/28/57/1080332857.db2.gz RZMDAOCJQYPKGS-HXUWFJFHSA-N 1 0 423.517 0.655 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000499414839 1080337966 /nfs/dbraw/zinc/33/79/66/1080337966.db2.gz KUYPQPRKQGMMBZ-BLLLJJGKSA-N 1 0 409.508 0.777 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000499414841 1080338119 /nfs/dbraw/zinc/33/81/19/1080338119.db2.gz KUYPQPRKQGMMBZ-LRDDRELGSA-N 1 0 409.508 0.777 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000499414843 1080337991 /nfs/dbraw/zinc/33/79/91/1080337991.db2.gz KUYPQPRKQGMMBZ-MLGOLLRUSA-N 1 0 409.508 0.777 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000499414846 1080338175 /nfs/dbraw/zinc/33/81/75/1080338175.db2.gz KUYPQPRKQGMMBZ-WBMJQRKESA-N 1 0 409.508 0.777 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000499416390 1080338868 /nfs/dbraw/zinc/33/88/68/1080338868.db2.gz OLRYRSRDUBJRLW-ABAIWWIYSA-N 1 0 412.487 0.613 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000499416392 1080338644 /nfs/dbraw/zinc/33/86/44/1080338644.db2.gz OLRYRSRDUBJRLW-IAQYHMDHSA-N 1 0 412.487 0.613 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000499416395 1080338575 /nfs/dbraw/zinc/33/85/75/1080338575.db2.gz OLRYRSRDUBJRLW-NHYWBVRUSA-N 1 0 412.487 0.613 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000499416397 1080338892 /nfs/dbraw/zinc/33/88/92/1080338892.db2.gz OLRYRSRDUBJRLW-XHDPSFHLSA-N 1 0 412.487 0.613 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000499419971 1080346622 /nfs/dbraw/zinc/34/66/22/1080346622.db2.gz WAYFPMGLZHQRDB-UHFFFAOYSA-N 1 0 420.491 0.529 20 0 HCADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000499419979 1080346701 /nfs/dbraw/zinc/34/67/01/1080346701.db2.gz WCISTSOUKFMJCC-UHFFFAOYSA-N 1 0 408.524 0.997 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)c1 ZINC000499420841 1080346723 /nfs/dbraw/zinc/34/67/23/1080346723.db2.gz NIHUXNHLUAYGJS-CJNGLKHVSA-N 1 0 419.482 0.007 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000499420842 1080347139 /nfs/dbraw/zinc/34/71/39/1080347139.db2.gz NIHUXNHLUAYGJS-CZUORRHYSA-N 1 0 419.482 0.007 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(C)=O)C2)c1 ZINC000499424132 1080354844 /nfs/dbraw/zinc/35/48/44/1080354844.db2.gz UFFXVEFSRAVFNF-KRWDZBQOSA-N 1 0 403.483 0.642 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)=O)C2)c1 ZINC000499424133 1080354986 /nfs/dbraw/zinc/35/49/86/1080354986.db2.gz UFFXVEFSRAVFNF-QGZVFWFLSA-N 1 0 403.483 0.642 20 0 HCADRO Cc1nc(S(=O)(=O)NCC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cn1C ZINC000499424298 1080353452 /nfs/dbraw/zinc/35/34/52/1080353452.db2.gz AKNDEKZOZSOKFJ-UHFFFAOYSA-N 1 0 420.539 0.777 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(S(C)(=O)=O)c1 ZINC000499429057 1080378598 /nfs/dbraw/zinc/37/85/98/1080378598.db2.gz APNFLHTWSUQCPB-CXAGYDPISA-N 1 0 409.508 0.980 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(S(C)(=O)=O)c1 ZINC000499429058 1080378645 /nfs/dbraw/zinc/37/86/45/1080378645.db2.gz APNFLHTWSUQCPB-DYVFJYSZSA-N 1 0 409.508 0.980 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(S(C)(=O)=O)c1 ZINC000499429059 1080378453 /nfs/dbraw/zinc/37/84/53/1080378453.db2.gz APNFLHTWSUQCPB-GUYCJALGSA-N 1 0 409.508 0.980 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(S(C)(=O)=O)c1 ZINC000499429060 1080378657 /nfs/dbraw/zinc/37/86/57/1080378657.db2.gz APNFLHTWSUQCPB-SUMWQHHRSA-N 1 0 409.508 0.980 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000499429708 1080370227 /nfs/dbraw/zinc/37/02/27/1080370227.db2.gz FREFEYVAEVENTG-AEFFLSMTSA-N 1 0 402.495 0.944 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000499429709 1080370171 /nfs/dbraw/zinc/37/01/71/1080370171.db2.gz FREFEYVAEVENTG-FUHWJXTLSA-N 1 0 402.495 0.944 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000499429710 1080370164 /nfs/dbraw/zinc/37/01/64/1080370164.db2.gz FREFEYVAEVENTG-SJLPKXTDSA-N 1 0 402.495 0.944 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000499429711 1080370236 /nfs/dbraw/zinc/37/02/36/1080370236.db2.gz FREFEYVAEVENTG-WMZOPIPTSA-N 1 0 402.495 0.944 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1F ZINC000499431252 1080380121 /nfs/dbraw/zinc/38/01/21/1080380121.db2.gz KOGLBCNEDJZRIP-DOMZBBRYSA-N 1 0 412.487 0.615 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1F ZINC000499431253 1080380042 /nfs/dbraw/zinc/38/00/42/1080380042.db2.gz KOGLBCNEDJZRIP-IUODEOHRSA-N 1 0 412.487 0.615 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1F ZINC000499431254 1080379972 /nfs/dbraw/zinc/37/99/72/1080379972.db2.gz KOGLBCNEDJZRIP-SWLSCSKDSA-N 1 0 412.487 0.615 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1F ZINC000499431255 1080380219 /nfs/dbraw/zinc/38/02/19/1080380219.db2.gz KOGLBCNEDJZRIP-WFASDCNBSA-N 1 0 412.487 0.615 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 ZINC000499433603 1080383015 /nfs/dbraw/zinc/38/30/15/1080383015.db2.gz RIWZSFMPDNDQLY-INIZCTEOSA-N 1 0 408.455 0.831 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 ZINC000499433604 1080382976 /nfs/dbraw/zinc/38/29/76/1080382976.db2.gz RIWZSFMPDNDQLY-MRXNPFEDSA-N 1 0 408.455 0.831 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCn3nc(C)nc3C2)c1 ZINC000499433730 1080381864 /nfs/dbraw/zinc/38/18/64/1080381864.db2.gz CTJLAMVHAHEWGP-UHFFFAOYSA-N 1 0 413.482 0.848 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000499434146 1080382164 /nfs/dbraw/zinc/38/21/64/1080382164.db2.gz LEVNBBSZRRZONX-INIZCTEOSA-N 1 0 404.492 0.562 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000499434147 1080382454 /nfs/dbraw/zinc/38/24/54/1080382454.db2.gz LEVNBBSZRRZONX-MRXNPFEDSA-N 1 0 404.492 0.562 20 0 HCADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)Nc3cccc4c3CNC4=O)CC2)CC1 ZINC000499439010 1080386684 /nfs/dbraw/zinc/38/66/84/1080386684.db2.gz BZGHDGILDKKOES-UHFFFAOYSA-N 1 0 413.522 0.886 20 0 HCADRO CCC[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC[N@@H+]1CCOC ZINC000499443804 1080388351 /nfs/dbraw/zinc/38/83/51/1080388351.db2.gz QJABLNGJKQHZPR-CABCVRRESA-N 1 0 401.533 0.046 20 0 HCADRO CCC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC[N@@H+]1CCOC ZINC000499443806 1080388728 /nfs/dbraw/zinc/38/87/28/1080388728.db2.gz QJABLNGJKQHZPR-GJZGRUSLSA-N 1 0 401.533 0.046 20 0 HCADRO CCC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC[N@@H+]1CCOC ZINC000499443808 1080388568 /nfs/dbraw/zinc/38/85/68/1080388568.db2.gz QJABLNGJKQHZPR-HUUCEWRRSA-N 1 0 401.533 0.046 20 0 HCADRO CCC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC[N@@H+]1CCOC ZINC000499443810 1080388239 /nfs/dbraw/zinc/38/82/39/1080388239.db2.gz QJABLNGJKQHZPR-LSDHHAIUSA-N 1 0 401.533 0.046 20 0 HCADRO Cc1c(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nnn1-c1ccn(C)n1 ZINC000499447558 1080394192 /nfs/dbraw/zinc/39/41/92/1080394192.db2.gz KTEBVRMIXHMNSX-UHFFFAOYSA-N 1 0 400.531 0.799 20 0 HCADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccc4c(c3)NC(=O)CNC4=O)CC2)CC1 ZINC000499447961 1080396629 /nfs/dbraw/zinc/39/66/29/1080396629.db2.gz POSWTLPJMIGKAK-UHFFFAOYSA-N 1 0 413.522 0.858 20 0 HCADRO Cn1nccc1[C@H]1[C@@H](C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC(=O)N1C ZINC000499448156 1080396619 /nfs/dbraw/zinc/39/66/19/1080396619.db2.gz QXEUHGNHDIFZOW-FXAWDEMLSA-N 1 0 416.570 0.816 20 0 HCADRO Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC(=O)N1C ZINC000499448157 1080396405 /nfs/dbraw/zinc/39/64/05/1080396405.db2.gz QXEUHGNHDIFZOW-PXNSSMCTSA-N 1 0 416.570 0.816 20 0 HCADRO Cn1nccc1[C@@H]1[C@H](C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC(=O)N1C ZINC000499448158 1080396651 /nfs/dbraw/zinc/39/66/51/1080396651.db2.gz QXEUHGNHDIFZOW-XLIONFOSSA-N 1 0 416.570 0.816 20 0 HCADRO Cn1nccc1[C@H]1[C@H](C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC(=O)N1C ZINC000499448159 1080396488 /nfs/dbraw/zinc/39/64/88/1080396488.db2.gz QXEUHGNHDIFZOW-YLJYHZDGSA-N 1 0 416.570 0.816 20 0 HCADRO CN1CC[NH+](CC2(C)CCN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CC2)CC1 ZINC000499448822 1080396053 /nfs/dbraw/zinc/39/60/53/1080396053.db2.gz WLIQYFRWAONVHC-HDICACEKSA-N 1 0 402.539 0.814 20 0 HCADRO Cn1ncc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1-c1ccccc1 ZINC000499450411 1080397459 /nfs/dbraw/zinc/39/74/59/1080397459.db2.gz CQMMXJXBBKLFNY-GOSISDBHSA-N 1 0 424.505 0.791 20 0 HCADRO Cn1ncc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1-c1ccccc1 ZINC000499450412 1080397552 /nfs/dbraw/zinc/39/75/52/1080397552.db2.gz CQMMXJXBBKLFNY-SFHVURJKSA-N 1 0 424.505 0.791 20 0 HCADRO CC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1F ZINC000499451989 1080399684 /nfs/dbraw/zinc/39/96/84/1080399684.db2.gz HRNGQEFVVGZISV-KRWDZBQOSA-N 1 0 404.442 0.732 20 0 HCADRO CC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1F ZINC000499451992 1080400020 /nfs/dbraw/zinc/40/00/20/1080400020.db2.gz HRNGQEFVVGZISV-QGZVFWFLSA-N 1 0 404.442 0.732 20 0 HCADRO CCC[C@H]1CN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC[N@@H+]1CCOC ZINC000499452360 1080400789 /nfs/dbraw/zinc/40/07/89/1080400789.db2.gz CMHXFXJTLJMZLW-INIZCTEOSA-N 1 0 415.560 0.356 20 0 HCADRO CCC[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC[N@@H+]1CCOC ZINC000499452361 1080400941 /nfs/dbraw/zinc/40/09/41/1080400941.db2.gz CMHXFXJTLJMZLW-MRXNPFEDSA-N 1 0 415.560 0.356 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1F ZINC000499452543 1080400702 /nfs/dbraw/zinc/40/07/02/1080400702.db2.gz ZZMLDELVKGGRKS-CYBMUJFWSA-N 1 0 414.503 0.766 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1F ZINC000499452553 1080400737 /nfs/dbraw/zinc/40/07/37/1080400737.db2.gz ZZMLDELVKGGRKS-ZDUSSCGKSA-N 1 0 414.503 0.766 20 0 HCADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000499455409 1080404459 /nfs/dbraw/zinc/40/44/59/1080404459.db2.gz GQOLOBCMYNNOJE-HNNXBMFYSA-N 1 0 420.539 0.857 20 0 HCADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000499455410 1080404373 /nfs/dbraw/zinc/40/43/73/1080404373.db2.gz GQOLOBCMYNNOJE-OAHLLOKOSA-N 1 0 420.539 0.857 20 0 HCADRO CCC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC[N@@H+]1CCOC ZINC000499457924 1080410373 /nfs/dbraw/zinc/41/03/73/1080410373.db2.gz OXHNUYCIBIFYNQ-GOEBONIOSA-N 1 0 416.544 0.918 20 0 HCADRO CCC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC[N@@H+]1CCOC ZINC000499457933 1080409966 /nfs/dbraw/zinc/40/99/66/1080409966.db2.gz OXHNUYCIBIFYNQ-HOCLYGCPSA-N 1 0 416.544 0.918 20 0 HCADRO CCC[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC[N@@H+]1CCOC ZINC000499459544 1080410037 /nfs/dbraw/zinc/41/00/37/1080410037.db2.gz XYAUXQZBTZMAAW-GFCCVEGCSA-N 1 0 417.304 0.671 20 0 HCADRO CCC[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC[N@@H+]1CCOC ZINC000499459547 1080410315 /nfs/dbraw/zinc/41/03/15/1080410315.db2.gz XYAUXQZBTZMAAW-LBPRGKRZSA-N 1 0 417.304 0.671 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000499461544 1080414069 /nfs/dbraw/zinc/41/40/69/1080414069.db2.gz ZCFWQLAWWCBLLL-UHFFFAOYSA-N 1 0 424.885 0.961 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000499462340 1080413513 /nfs/dbraw/zinc/41/35/13/1080413513.db2.gz KNIWHQAQKSUTCQ-GOSISDBHSA-N 1 0 423.558 0.350 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000499462342 1080413432 /nfs/dbraw/zinc/41/34/32/1080413432.db2.gz KNIWHQAQKSUTCQ-SFHVURJKSA-N 1 0 423.558 0.350 20 0 HCADRO CCC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@@H+]1CCOC ZINC000499463235 1080414038 /nfs/dbraw/zinc/41/40/38/1080414038.db2.gz OFWUDGNEYHJCLM-MOPGFXCFSA-N 1 0 410.559 0.126 20 0 HCADRO CCC[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@@H+]1CCOC ZINC000499463236 1080414163 /nfs/dbraw/zinc/41/41/63/1080414163.db2.gz OFWUDGNEYHJCLM-OALUTQOASA-N 1 0 410.559 0.126 20 0 HCADRO CCC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@@H+]1CCOC ZINC000499463237 1080413996 /nfs/dbraw/zinc/41/39/96/1080413996.db2.gz OFWUDGNEYHJCLM-RBUKOAKNSA-N 1 0 410.559 0.126 20 0 HCADRO CCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@@H+]1CCOC ZINC000499463238 1080414140 /nfs/dbraw/zinc/41/41/40/1080414140.db2.gz OFWUDGNEYHJCLM-RTBURBONSA-N 1 0 410.559 0.126 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1=O ZINC000499466954 1080419097 /nfs/dbraw/zinc/41/90/97/1080419097.db2.gz MPKVDSWCGHIPCJ-KRWDZBQOSA-N 1 0 409.531 0.008 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1=O ZINC000499466955 1080418922 /nfs/dbraw/zinc/41/89/22/1080418922.db2.gz MPKVDSWCGHIPCJ-QGZVFWFLSA-N 1 0 409.531 0.008 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)C1=O ZINC000499477187 1080446935 /nfs/dbraw/zinc/44/69/35/1080446935.db2.gz LDQUUFXRCDLGKL-KRWDZBQOSA-N 1 0 424.542 0.873 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)C1=O ZINC000499477188 1080447100 /nfs/dbraw/zinc/44/71/00/1080447100.db2.gz LDQUUFXRCDLGKL-QGZVFWFLSA-N 1 0 424.542 0.873 20 0 HCADRO O=C([C@H]1CC[C@@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)O1)N1CCOCC1 ZINC000499502587 1080536740 /nfs/dbraw/zinc/53/67/40/1080536740.db2.gz JGOIDASZQWTCAU-RBUKOAKNSA-N 1 0 409.527 0.496 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000499508315 1080546940 /nfs/dbraw/zinc/54/69/40/1080546940.db2.gz HINJDLDYUSXKSA-NRFANRHFSA-N 1 0 418.494 0.923 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000499508317 1080546754 /nfs/dbraw/zinc/54/67/54/1080546754.db2.gz HINJDLDYUSXKSA-OAQYLSRUSA-N 1 0 418.494 0.923 20 0 HCADRO CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000499520686 1080560946 /nfs/dbraw/zinc/56/09/46/1080560946.db2.gz DKQJCRZMDASLIK-GOSISDBHSA-N 1 0 415.538 0.922 20 0 HCADRO CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000499520687 1080561063 /nfs/dbraw/zinc/56/10/63/1080561063.db2.gz DKQJCRZMDASLIK-SFHVURJKSA-N 1 0 415.538 0.922 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000499521795 1080562874 /nfs/dbraw/zinc/56/28/74/1080562874.db2.gz IASGYJHIBLVTKX-IBGZPJMESA-N 1 0 411.510 0.834 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000499521796 1080562980 /nfs/dbraw/zinc/56/29/80/1080562980.db2.gz IASGYJHIBLVTKX-LJQANCHMSA-N 1 0 411.510 0.834 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000499522618 1080564347 /nfs/dbraw/zinc/56/43/47/1080564347.db2.gz LGWXCDNQQUTEGX-KRWDZBQOSA-N 1 0 415.538 0.922 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000499522620 1080564380 /nfs/dbraw/zinc/56/43/80/1080564380.db2.gz LGWXCDNQQUTEGX-QGZVFWFLSA-N 1 0 415.538 0.922 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000499524412 1080567391 /nfs/dbraw/zinc/56/73/91/1080567391.db2.gz UJUQWAZWIZTJJA-GOSISDBHSA-N 1 0 412.498 0.229 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000499524416 1080565886 /nfs/dbraw/zinc/56/58/86/1080565886.db2.gz UJUQWAZWIZTJJA-SFHVURJKSA-N 1 0 412.498 0.229 20 0 HCADRO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000499525343 1080573514 /nfs/dbraw/zinc/57/35/14/1080573514.db2.gz ZQYSGYKBMIQSJA-KRWDZBQOSA-N 1 0 401.511 0.661 20 0 HCADRO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000499525344 1080573428 /nfs/dbraw/zinc/57/34/28/1080573428.db2.gz ZQYSGYKBMIQSJA-QGZVFWFLSA-N 1 0 401.511 0.661 20 0 HCADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000499525737 1080570450 /nfs/dbraw/zinc/57/04/50/1080570450.db2.gz BALQDYMZONZSKA-UHFFFAOYSA-N 1 0 400.426 0.170 20 0 HCADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O ZINC000499526105 1080573478 /nfs/dbraw/zinc/57/34/78/1080573478.db2.gz CBZWJIQIKXARKM-UHFFFAOYSA-N 1 0 418.469 0.713 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H](NC(=O)NC)C2)c1 ZINC000499526138 1080573248 /nfs/dbraw/zinc/57/32/48/1080573248.db2.gz CKZBVSHKUXNLJS-INIZCTEOSA-N 1 0 418.498 0.435 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)NC)C2)c1 ZINC000499526141 1080573304 /nfs/dbraw/zinc/57/33/04/1080573304.db2.gz CKZBVSHKUXNLJS-MRXNPFEDSA-N 1 0 418.498 0.435 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 ZINC000499527141 1080575461 /nfs/dbraw/zinc/57/54/61/1080575461.db2.gz RMPDWTUMEBNMAC-KRWDZBQOSA-N 1 0 417.510 0.118 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 ZINC000499527147 1080575288 /nfs/dbraw/zinc/57/52/88/1080575288.db2.gz RMPDWTUMEBNMAC-QGZVFWFLSA-N 1 0 417.510 0.118 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccccc2S(C)(=O)=O)CC1 ZINC000499529363 1080581537 /nfs/dbraw/zinc/58/15/37/1080581537.db2.gz FXSYXJHQNILTME-INIZCTEOSA-N 1 0 422.551 0.657 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccccc2S(C)(=O)=O)CC1 ZINC000499529364 1080581513 /nfs/dbraw/zinc/58/15/13/1080581513.db2.gz FXSYXJHQNILTME-MRXNPFEDSA-N 1 0 422.551 0.657 20 0 HCADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(C)cc(I)c1 ZINC000499530903 1080585042 /nfs/dbraw/zinc/58/50/42/1080585042.db2.gz QQRXQCQSNDCTIS-UHFFFAOYSA-N 1 0 419.263 0.969 20 0 HCADRO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000499531443 1080587075 /nfs/dbraw/zinc/58/70/75/1080587075.db2.gz SUNCVUULCGWWJS-RBUKOAKNSA-N 1 0 411.543 0.742 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000499532495 1080590877 /nfs/dbraw/zinc/59/08/77/1080590877.db2.gz NNUVEWSCDHLMKE-GOSISDBHSA-N 1 0 412.498 0.229 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000499532496 1080590710 /nfs/dbraw/zinc/59/07/10/1080590710.db2.gz NNUVEWSCDHLMKE-SFHVURJKSA-N 1 0 412.498 0.229 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000499532544 1080590381 /nfs/dbraw/zinc/59/03/81/1080590381.db2.gz OHNHPGJTJMFOMO-KRWDZBQOSA-N 1 0 422.551 0.657 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000499532545 1080590122 /nfs/dbraw/zinc/59/01/22/1080590122.db2.gz OHNHPGJTJMFOMO-QGZVFWFLSA-N 1 0 422.551 0.657 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000499532594 1080590176 /nfs/dbraw/zinc/59/01/76/1080590176.db2.gz OKCOTZADAJLQAT-KRWDZBQOSA-N 1 0 417.510 0.118 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000499532596 1080590395 /nfs/dbraw/zinc/59/03/95/1080590395.db2.gz OKCOTZADAJLQAT-QGZVFWFLSA-N 1 0 417.510 0.118 20 0 HCADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(C(=O)NC)c1Br ZINC000499534136 1080592553 /nfs/dbraw/zinc/59/25/53/1080592553.db2.gz NKNHNHNKKBVXLD-UHFFFAOYSA-N 1 0 415.288 0.178 20 0 HCADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000499534175 1080592732 /nfs/dbraw/zinc/59/27/32/1080592732.db2.gz WSROAFQYKISOJC-UHFFFAOYSA-N 1 0 410.272 0.761 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000499534342 1080595051 /nfs/dbraw/zinc/59/50/51/1080595051.db2.gz UKSUKSXKFDDKOS-KRWDZBQOSA-N 1 0 411.510 0.834 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000499534343 1080595238 /nfs/dbraw/zinc/59/52/38/1080595238.db2.gz UKSUKSXKFDDKOS-QGZVFWFLSA-N 1 0 411.510 0.834 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 ZINC000499535581 1080595453 /nfs/dbraw/zinc/59/54/53/1080595453.db2.gz AQHYPFQCIPJSRE-KRWDZBQOSA-N 1 0 411.510 0.834 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 ZINC000499535582 1080595471 /nfs/dbraw/zinc/59/54/71/1080595471.db2.gz AQHYPFQCIPJSRE-QGZVFWFLSA-N 1 0 411.510 0.834 20 0 HCADRO COCCOc1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000499536186 1080597170 /nfs/dbraw/zinc/59/71/70/1080597170.db2.gz AUHHMGWTHUOLFE-GOSISDBHSA-N 1 0 419.526 0.674 20 0 HCADRO COCCOc1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000499536187 1080597279 /nfs/dbraw/zinc/59/72/79/1080597279.db2.gz AUHHMGWTHUOLFE-SFHVURJKSA-N 1 0 419.526 0.674 20 0 HCADRO CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000499536375 1080595903 /nfs/dbraw/zinc/59/59/03/1080595903.db2.gz IUGJPZDRVADLCG-GOSISDBHSA-N 1 0 401.511 0.613 20 0 HCADRO CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000499536376 1080595828 /nfs/dbraw/zinc/59/58/28/1080595828.db2.gz IUGJPZDRVADLCG-SFHVURJKSA-N 1 0 401.511 0.613 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CCN3CCOC[C@@H]3C)CC2)cc1 ZINC000499536414 1080596442 /nfs/dbraw/zinc/59/64/42/1080596442.db2.gz CKHNZMBRYDWIEC-IBGZPJMESA-N 1 0 410.584 0.612 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CCN3CCOC[C@H]3C)CC2)cc1 ZINC000499536417 1080596364 /nfs/dbraw/zinc/59/63/64/1080596364.db2.gz CKHNZMBRYDWIEC-LJQANCHMSA-N 1 0 410.584 0.612 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000499537686 1080596696 /nfs/dbraw/zinc/59/66/96/1080596696.db2.gz PBOBUVDQPMNMNB-HNNXBMFYSA-N 1 0 405.474 0.492 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000499537688 1080596634 /nfs/dbraw/zinc/59/66/34/1080596634.db2.gz PBOBUVDQPMNMNB-OAHLLOKOSA-N 1 0 405.474 0.492 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000499538259 1080598508 /nfs/dbraw/zinc/59/85/08/1080598508.db2.gz LQUWORGTPZJMEO-KRWDZBQOSA-N 1 0 412.498 0.229 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000499538261 1080598531 /nfs/dbraw/zinc/59/85/31/1080598531.db2.gz LQUWORGTPZJMEO-QGZVFWFLSA-N 1 0 412.498 0.229 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000499540350 1080602953 /nfs/dbraw/zinc/60/29/53/1080602953.db2.gz YOKMWLVPJGPDRB-KRWDZBQOSA-N 1 0 422.551 0.657 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000499540352 1080602865 /nfs/dbraw/zinc/60/28/65/1080602865.db2.gz YOKMWLVPJGPDRB-QGZVFWFLSA-N 1 0 422.551 0.657 20 0 HCADRO CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499540557 1080602918 /nfs/dbraw/zinc/60/29/18/1080602918.db2.gz ORMJULNBUKNSOJ-UHFFFAOYSA-N 1 0 424.505 0.557 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000499540771 1080605514 /nfs/dbraw/zinc/60/55/14/1080605514.db2.gz ZREAXLMQFFDJSN-GOSISDBHSA-N 1 0 401.511 0.613 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000499540773 1080605590 /nfs/dbraw/zinc/60/55/90/1080605590.db2.gz ZREAXLMQFFDJSN-SFHVURJKSA-N 1 0 401.511 0.613 20 0 HCADRO CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499542233 1080605639 /nfs/dbraw/zinc/60/56/39/1080605639.db2.gz FEHRGUCQFWBKOI-UHFFFAOYSA-N 1 0 424.505 0.557 20 0 HCADRO CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000499545965 1080637626 /nfs/dbraw/zinc/63/76/26/1080637626.db2.gz QFQYEXCUMLYCPL-IBGZPJMESA-N 1 0 415.538 0.955 20 0 HCADRO CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000499545966 1080637760 /nfs/dbraw/zinc/63/77/60/1080637760.db2.gz QFQYEXCUMLYCPL-LJQANCHMSA-N 1 0 415.538 0.955 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000499547781 1080635433 /nfs/dbraw/zinc/63/54/33/1080635433.db2.gz UMFPAMMBJCWISD-INIZCTEOSA-N 1 0 423.539 0.052 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000499547782 1080635350 /nfs/dbraw/zinc/63/53/50/1080635350.db2.gz UMFPAMMBJCWISD-MRXNPFEDSA-N 1 0 423.539 0.052 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000499550534 1080640676 /nfs/dbraw/zinc/64/06/76/1080640676.db2.gz AUTGDBLVWFNIGO-INIZCTEOSA-N 1 0 415.494 0.585 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000499550538 1080640451 /nfs/dbraw/zinc/64/04/51/1080640451.db2.gz AUTGDBLVWFNIGO-MRXNPFEDSA-N 1 0 415.494 0.585 20 0 HCADRO CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000499551724 1080638300 /nfs/dbraw/zinc/63/83/00/1080638300.db2.gz ZWKLALXUVJCWRF-IBGZPJMESA-N 1 0 415.538 0.955 20 0 HCADRO CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000499551725 1080638361 /nfs/dbraw/zinc/63/83/61/1080638361.db2.gz ZWKLALXUVJCWRF-LJQANCHMSA-N 1 0 415.538 0.955 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000499553237 1080661802 /nfs/dbraw/zinc/66/18/02/1080661802.db2.gz PSMBINXIWXFNOB-GOSISDBHSA-N 1 0 401.511 0.281 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000499553238 1080662066 /nfs/dbraw/zinc/66/20/66/1080662066.db2.gz PSMBINXIWXFNOB-SFHVURJKSA-N 1 0 401.511 0.281 20 0 HCADRO Cn1c2ccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cc2oc1=O ZINC000499553828 1080648238 /nfs/dbraw/zinc/64/82/38/1080648238.db2.gz STGQHTNEYHZHCI-INIZCTEOSA-N 1 0 415.494 0.699 20 0 HCADRO Cn1c2ccc(NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cc2oc1=O ZINC000499553829 1080648124 /nfs/dbraw/zinc/64/81/24/1080648124.db2.gz STGQHTNEYHZHCI-MRXNPFEDSA-N 1 0 415.494 0.699 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000499556212 1080665769 /nfs/dbraw/zinc/66/57/69/1080665769.db2.gz ZSFINPGLOQLMSZ-GOSISDBHSA-N 1 0 411.510 0.834 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000499556213 1080665514 /nfs/dbraw/zinc/66/55/14/1080665514.db2.gz ZSFINPGLOQLMSZ-SFHVURJKSA-N 1 0 411.510 0.834 20 0 HCADRO COCCOc1ncccc1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000499559006 1080674817 /nfs/dbraw/zinc/67/48/17/1080674817.db2.gz MXLWIMXUTSAQKZ-KRWDZBQOSA-N 1 0 419.526 0.674 20 0 HCADRO COCCOc1ncccc1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000499559008 1080674855 /nfs/dbraw/zinc/67/48/55/1080674855.db2.gz MXLWIMXUTSAQKZ-QGZVFWFLSA-N 1 0 419.526 0.674 20 0 HCADRO COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000499569117 1080704685 /nfs/dbraw/zinc/70/46/85/1080704685.db2.gz AWECRHVVDBBZQI-IBGZPJMESA-N 1 0 416.522 0.969 20 0 HCADRO COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000499569121 1080705088 /nfs/dbraw/zinc/70/50/88/1080705088.db2.gz AWECRHVVDBBZQI-LJQANCHMSA-N 1 0 416.522 0.969 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1C(N)=O ZINC000499572082 1080705509 /nfs/dbraw/zinc/70/55/09/1080705509.db2.gz KEGVCMYYDVXFCX-KRWDZBQOSA-N 1 0 401.511 0.661 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1C(N)=O ZINC000499572084 1080705654 /nfs/dbraw/zinc/70/56/54/1080705654.db2.gz KEGVCMYYDVXFCX-QGZVFWFLSA-N 1 0 401.511 0.661 20 0 HCADRO Cc1c(NC(=O)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)n(C)nc1C(F)(F)F ZINC000499572539 1080704486 /nfs/dbraw/zinc/70/44/86/1080704486.db2.gz PFMVTVDTRFVCIE-LLVKDONJSA-N 1 0 404.437 0.828 20 0 HCADRO Cc1c(NC(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)n(C)nc1C(F)(F)F ZINC000499572550 1080704550 /nfs/dbraw/zinc/70/45/50/1080704550.db2.gz PFMVTVDTRFVCIE-NSHDSACASA-N 1 0 404.437 0.828 20 0 HCADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000499573012 1080706199 /nfs/dbraw/zinc/70/61/99/1080706199.db2.gz PULNXVFXNHXWKI-GFCCVEGCSA-N 1 0 423.901 0.752 20 0 HCADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000499573014 1080706105 /nfs/dbraw/zinc/70/61/05/1080706105.db2.gz PULNXVFXNHXWKI-LBPRGKRZSA-N 1 0 423.901 0.752 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1 ZINC000499575910 1080705596 /nfs/dbraw/zinc/70/55/96/1080705596.db2.gz QOBHXGCEWTTXJT-HNNXBMFYSA-N 1 0 405.474 0.492 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1 ZINC000499575911 1080705479 /nfs/dbraw/zinc/70/54/79/1080705479.db2.gz QOBHXGCEWTTXJT-OAHLLOKOSA-N 1 0 405.474 0.492 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000499587669 1080763253 /nfs/dbraw/zinc/76/32/53/1080763253.db2.gz SGNMRAFZEOEYPD-JXFKEZNVSA-N 1 0 402.539 0.716 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000499587670 1080763203 /nfs/dbraw/zinc/76/32/03/1080763203.db2.gz SGNMRAFZEOEYPD-OXJNMPFZSA-N 1 0 402.539 0.716 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499587671 1080763128 /nfs/dbraw/zinc/76/31/28/1080763128.db2.gz SGNMRAFZEOEYPD-OXQOHEQNSA-N 1 0 402.539 0.716 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499587672 1080763074 /nfs/dbraw/zinc/76/30/74/1080763074.db2.gz SGNMRAFZEOEYPD-UZLBHIALSA-N 1 0 402.539 0.716 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)NCc3ccc(S(N)(=O)=O)s3)ccn2)CC1 ZINC000499599260 1080773649 /nfs/dbraw/zinc/77/36/49/1080773649.db2.gz JKCSTOFLFCIZMV-UHFFFAOYSA-N 1 0 424.552 0.542 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000499600162 1080777176 /nfs/dbraw/zinc/77/71/76/1080777176.db2.gz LDRNNWZSQWBPEB-UHFFFAOYSA-N 1 0 405.499 0.026 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000499600276 1080777250 /nfs/dbraw/zinc/77/72/50/1080777250.db2.gz LQUVRRMXLQBEAG-INIZCTEOSA-N 1 0 401.511 0.932 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000499600277 1080777146 /nfs/dbraw/zinc/77/71/46/1080777146.db2.gz LQUVRRMXLQBEAG-MRXNPFEDSA-N 1 0 401.511 0.932 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCCN(S(C)(=O)=O)CC3)ccn2)CC1 ZINC000499600418 1080777040 /nfs/dbraw/zinc/77/70/40/1080777040.db2.gz OAQHZVVVOOYXLX-UHFFFAOYSA-N 1 0 410.544 0.010 20 0 HCADRO CCS(=O)(=O)NC1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000499600420 1080776994 /nfs/dbraw/zinc/77/69/94/1080776994.db2.gz ODCLKRITUXTNPP-UHFFFAOYSA-N 1 0 424.571 0.447 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@H](CS(C)(=O)=O)C3)ccn2)CC1 ZINC000499600960 1080776432 /nfs/dbraw/zinc/77/64/32/1080776432.db2.gz RZGDIISFWZVUOF-KRWDZBQOSA-N 1 0 409.556 0.800 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@@H](CS(C)(=O)=O)C3)ccn2)CC1 ZINC000499600961 1080776617 /nfs/dbraw/zinc/77/66/17/1080776617.db2.gz RZGDIISFWZVUOF-QGZVFWFLSA-N 1 0 409.556 0.800 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCN(C(=O)c4ccccn4)CC3)ccn2)CC1 ZINC000499600975 1080776539 /nfs/dbraw/zinc/77/65/39/1080776539.db2.gz SJPBHSKUCMMREU-UHFFFAOYSA-N 1 0 423.521 0.896 20 0 HCADRO CC(C)[C@H](CNC(=O)NCc1ccnc(N2CCOCC2)c1)[NH+]1CCN(C)CC1 ZINC000499602441 1080780986 /nfs/dbraw/zinc/78/09/86/1080780986.db2.gz NBMMGJKJQDTTER-IBGZPJMESA-N 1 0 404.559 0.989 20 0 HCADRO CC(C)[C@@H](CNC(=O)NCc1ccnc(N2CCOCC2)c1)[NH+]1CCN(C)CC1 ZINC000499602442 1080781053 /nfs/dbraw/zinc/78/10/53/1080781053.db2.gz NBMMGJKJQDTTER-LJQANCHMSA-N 1 0 404.559 0.989 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC(C(=O)NCCCO)CC3)ccn2)CC1 ZINC000499602540 1080781390 /nfs/dbraw/zinc/78/13/90/1080781390.db2.gz NQRVPBRRTBJXDN-UHFFFAOYSA-N 1 0 418.542 0.254 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@]2(OC)CCOC2)c1 ZINC000499603301 1080782779 /nfs/dbraw/zinc/78/27/79/1080782779.db2.gz HBADWTCOIHEUSQ-FQEVSTJZSA-N 1 0 406.483 0.827 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@]2(OC)CCOC2)c1 ZINC000499603302 1080782875 /nfs/dbraw/zinc/78/28/75/1080782875.db2.gz HBADWTCOIHEUSQ-HXUWFJFHSA-N 1 0 406.483 0.827 20 0 HCADRO C[NH+](C)CC1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000499604546 1080783875 /nfs/dbraw/zinc/78/38/75/1080783875.db2.gz DWJZMMGLRTVPDH-UHFFFAOYSA-N 1 0 401.511 0.742 20 0 HCADRO COCC(=O)N1CCC(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000499608566 1080790964 /nfs/dbraw/zinc/79/09/64/1080790964.db2.gz VGRBUQKCBLMDNP-UHFFFAOYSA-N 1 0 404.515 0.270 20 0 HCADRO O=C(NCCC[NH+]1CCCCC1)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000499608582 1080790602 /nfs/dbraw/zinc/79/06/02/1080790602.db2.gz VLQVAIPDAKUGHK-UHFFFAOYSA-N 1 0 401.511 0.934 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000499623458 1080810459 /nfs/dbraw/zinc/81/04/59/1080810459.db2.gz CPGIDRKQAJVGGN-UHFFFAOYSA-N 1 0 408.524 0.962 20 0 HCADRO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000499623615 1080810370 /nfs/dbraw/zinc/81/03/70/1080810370.db2.gz WNJSKUOZTQXPBE-BPQIPLTHSA-N 1 0 411.568 0.793 20 0 HCADRO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000499623617 1080810417 /nfs/dbraw/zinc/81/04/17/1080810417.db2.gz WNJSKUOZTQXPBE-KBAYOESNSA-N 1 0 411.568 0.793 20 0 HCADRO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000499623619 1080810489 /nfs/dbraw/zinc/81/04/89/1080810489.db2.gz WNJSKUOZTQXPBE-NJAFHUGGSA-N 1 0 411.568 0.793 20 0 HCADRO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000499623621 1080810468 /nfs/dbraw/zinc/81/04/68/1080810468.db2.gz WNJSKUOZTQXPBE-NXHRZFHOSA-N 1 0 411.568 0.793 20 0 HCADRO CN(C(=O)CNS(=O)(=O)c1cnn(C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499629439 1080824814 /nfs/dbraw/zinc/82/48/14/1080824814.db2.gz YPYRRZQHDYWSDQ-UHFFFAOYSA-N 1 0 405.524 0.821 20 0 HCADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000499635832 1080835354 /nfs/dbraw/zinc/83/53/54/1080835354.db2.gz XYHFVYHIIBUOHE-UHFFFAOYSA-N 1 0 408.524 0.133 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000499637769 1080838721 /nfs/dbraw/zinc/83/87/21/1080838721.db2.gz SRAKZCFPCFXXRC-UHFFFAOYSA-N 1 0 420.579 0.998 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)CC2)c1 ZINC000499651380 1080858339 /nfs/dbraw/zinc/85/83/39/1080858339.db2.gz QHALWFPRTBDJMU-INIZCTEOSA-N 1 0 419.526 0.430 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCc2cc(C(N)=O)co2)c1 ZINC000499653231 1080867265 /nfs/dbraw/zinc/86/72/65/1080867265.db2.gz AMYFVYAZZSQIMC-UHFFFAOYSA-N 1 0 415.450 0.914 20 0 HCADRO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000499653991 1080863928 /nfs/dbraw/zinc/86/39/28/1080863928.db2.gz AIWGGZXOSDDLIG-FXAWDEMLSA-N 1 0 402.539 0.981 20 0 HCADRO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000499653993 1080863800 /nfs/dbraw/zinc/86/38/00/1080863800.db2.gz AIWGGZXOSDDLIG-PXNSSMCTSA-N 1 0 402.539 0.981 20 0 HCADRO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000499653994 1080863820 /nfs/dbraw/zinc/86/38/20/1080863820.db2.gz AIWGGZXOSDDLIG-XLIONFOSSA-N 1 0 402.539 0.981 20 0 HCADRO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000499653996 1080863833 /nfs/dbraw/zinc/86/38/33/1080863833.db2.gz AIWGGZXOSDDLIG-YLJYHZDGSA-N 1 0 402.539 0.981 20 0 HCADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000499661884 1080972495 /nfs/dbraw/zinc/97/24/95/1080972495.db2.gz UJESMNIZYXMTJR-AEFFLSMTSA-N 1 0 413.540 0.203 20 0 HCADRO COCC[N@@H+]1CCCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000499661885 1080972784 /nfs/dbraw/zinc/97/27/84/1080972784.db2.gz UJESMNIZYXMTJR-FUHWJXTLSA-N 1 0 413.540 0.203 20 0 HCADRO COCC[N@@H+]1CCCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000499661886 1080972675 /nfs/dbraw/zinc/97/26/75/1080972675.db2.gz UJESMNIZYXMTJR-SJLPKXTDSA-N 1 0 413.540 0.203 20 0 HCADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000499661887 1080972320 /nfs/dbraw/zinc/97/23/20/1080972320.db2.gz UJESMNIZYXMTJR-WMZOPIPTSA-N 1 0 413.540 0.203 20 0 HCADRO COCCNc1nc(NCC2(C)CCOCC2)[nH+]c(NCC2(C)CCOCC2)n1 ZINC000499664853 1080980052 /nfs/dbraw/zinc/98/00/52/1080980052.db2.gz SGIVQBCFYAQNLF-UHFFFAOYSA-N 1 0 408.547 0.653 20 0 HCADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000499667630 1080997107 /nfs/dbraw/zinc/99/71/07/1080997107.db2.gz ICWUPNUWPKZFQW-KRWDZBQOSA-N 1 0 422.551 0.801 20 0 HCADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000499667631 1080996919 /nfs/dbraw/zinc/99/69/19/1080996919.db2.gz ICWUPNUWPKZFQW-QGZVFWFLSA-N 1 0 422.551 0.801 20 0 HCADRO CCC[NH+]1CCC(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000499669132 1080998279 /nfs/dbraw/zinc/99/82/79/1080998279.db2.gz GFGDVQQOKZADFH-UHFFFAOYSA-N 1 0 422.551 0.659 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCc3ccn4ccnc4c3)CC2)CC1 ZINC000499669272 1081003213 /nfs/dbraw/zinc/00/32/13/1081003213.db2.gz MLWCEKMAPBKNRU-UHFFFAOYSA-N 1 0 412.538 0.968 20 0 HCADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000499670985 1081008542 /nfs/dbraw/zinc/00/85/42/1081008542.db2.gz RUWJWVBHEBFDQF-CYBMUJFWSA-N 1 0 410.496 0.623 20 0 HCADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000499670986 1081008466 /nfs/dbraw/zinc/00/84/66/1081008466.db2.gz RUWJWVBHEBFDQF-ZDUSSCGKSA-N 1 0 410.496 0.623 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(CS(N)(=O)=O)cc3)cn2)CC1 ZINC000499691220 1081058817 /nfs/dbraw/zinc/05/88/17/1081058817.db2.gz JCEALKWAKJNHHZ-UHFFFAOYSA-N 1 0 417.535 0.942 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccc(CS(N)(=O)=O)cc3)ccn2)CC1 ZINC000499692241 1081061217 /nfs/dbraw/zinc/06/12/17/1081061217.db2.gz HDCTWXZACYSRFV-UHFFFAOYSA-N 1 0 403.508 0.552 20 0 HCADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000499692306 1081061317 /nfs/dbraw/zinc/06/13/17/1081061317.db2.gz HPVMSLHUCJUOGO-MOPGFXCFSA-N 1 0 403.527 0.479 20 0 HCADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000499692307 1081061180 /nfs/dbraw/zinc/06/11/80/1081061180.db2.gz HPVMSLHUCJUOGO-OALUTQOASA-N 1 0 403.527 0.479 20 0 HCADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000499692308 1081061379 /nfs/dbraw/zinc/06/13/79/1081061379.db2.gz HPVMSLHUCJUOGO-RBUKOAKNSA-N 1 0 403.527 0.479 20 0 HCADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000499692309 1081061251 /nfs/dbraw/zinc/06/12/51/1081061251.db2.gz HPVMSLHUCJUOGO-RTBURBONSA-N 1 0 403.527 0.479 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C4CCC4)CC3)CC2)cn1C ZINC000499699667 1081072964 /nfs/dbraw/zinc/07/29/64/1081072964.db2.gz VCUZKKKMACFRPD-UHFFFAOYSA-N 1 0 409.556 0.826 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000499710446 1081092752 /nfs/dbraw/zinc/09/27/52/1081092752.db2.gz PHFOUCWJWIDKQM-KRWDZBQOSA-N 1 0 402.495 0.564 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000499710447 1081092620 /nfs/dbraw/zinc/09/26/20/1081092620.db2.gz PHFOUCWJWIDKQM-QGZVFWFLSA-N 1 0 402.495 0.564 20 0 HCADRO COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000499717799 1081106660 /nfs/dbraw/zinc/10/66/60/1081106660.db2.gz BYEIIKOEFLWUPZ-IJLUTSLNSA-N 1 0 414.446 0.694 20 0 HCADRO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000499717803 1081106488 /nfs/dbraw/zinc/10/64/88/1081106488.db2.gz BYEIIKOEFLWUPZ-UTUOFQBUSA-N 1 0 414.446 0.694 20 0 HCADRO C[NH+]1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000499721601 1081114557 /nfs/dbraw/zinc/11/45/57/1081114557.db2.gz WDKLZPTZGSKYPN-IBGZPJMESA-N 1 0 408.568 0.592 20 0 HCADRO C[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000499721602 1081115641 /nfs/dbraw/zinc/11/56/41/1081115641.db2.gz WDKLZPTZGSKYPN-LJQANCHMSA-N 1 0 408.568 0.592 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000499722034 1081109753 /nfs/dbraw/zinc/10/97/53/1081109753.db2.gz XBARZRAUNDZVFR-FQEVSTJZSA-N 1 0 422.595 0.982 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000499722035 1081109467 /nfs/dbraw/zinc/10/94/67/1081109467.db2.gz XBARZRAUNDZVFR-HXUWFJFHSA-N 1 0 422.595 0.982 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)O)cc1 ZINC000499724284 1081115623 /nfs/dbraw/zinc/11/56/23/1081115623.db2.gz HTXZLDXKRSSPLT-AEFFLSMTSA-N 1 0 413.540 0.251 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCCC[NH+]2CCOCC2)[C@H](C)O)cc1 ZINC000499724289 1081115694 /nfs/dbraw/zinc/11/56/94/1081115694.db2.gz HTXZLDXKRSSPLT-FUHWJXTLSA-N 1 0 413.540 0.251 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)O)cc1 ZINC000499724291 1081115446 /nfs/dbraw/zinc/11/54/46/1081115446.db2.gz HTXZLDXKRSSPLT-SJLPKXTDSA-N 1 0 413.540 0.251 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCC[NH+]2CCOCC2)[C@H](C)O)cc1 ZINC000499724292 1081115095 /nfs/dbraw/zinc/11/50/95/1081115095.db2.gz HTXZLDXKRSSPLT-WMZOPIPTSA-N 1 0 413.540 0.251 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H](NC(=O)C3CC3)[C@H](C)O)CC2)c1 ZINC000499726479 1081124754 /nfs/dbraw/zinc/12/47/54/1081124754.db2.gz CJUMAOMJTNZLFG-FXAWDEMLSA-N 1 0 402.539 0.899 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H](NC(=O)C3CC3)[C@H](C)O)CC2)c1 ZINC000499726480 1081124865 /nfs/dbraw/zinc/12/48/65/1081124865.db2.gz CJUMAOMJTNZLFG-PXNSSMCTSA-N 1 0 402.539 0.899 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H](NC(=O)C3CC3)[C@@H](C)O)CC2)c1 ZINC000499726481 1081124965 /nfs/dbraw/zinc/12/49/65/1081124965.db2.gz CJUMAOMJTNZLFG-XLIONFOSSA-N 1 0 402.539 0.899 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H](NC(=O)C3CC3)[C@@H](C)O)CC2)c1 ZINC000499726482 1081124952 /nfs/dbraw/zinc/12/49/52/1081124952.db2.gz CJUMAOMJTNZLFG-YLJYHZDGSA-N 1 0 402.539 0.899 20 0 HCADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000499727747 1081126240 /nfs/dbraw/zinc/12/62/40/1081126240.db2.gz FROYLSQXXRBNGB-KRWDZBQOSA-N 1 0 422.551 0.801 20 0 HCADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000499727749 1081126574 /nfs/dbraw/zinc/12/65/74/1081126574.db2.gz FROYLSQXXRBNGB-QGZVFWFLSA-N 1 0 422.551 0.801 20 0 HCADRO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000499737557 1081143449 /nfs/dbraw/zinc/14/34/49/1081143449.db2.gz BFFUMBFKAZZQBT-FXAWDEMLSA-N 1 0 402.539 0.586 20 0 HCADRO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000499737561 1081143214 /nfs/dbraw/zinc/14/32/14/1081143214.db2.gz BFFUMBFKAZZQBT-PXNSSMCTSA-N 1 0 402.539 0.586 20 0 HCADRO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000499737563 1081143583 /nfs/dbraw/zinc/14/35/83/1081143583.db2.gz BFFUMBFKAZZQBT-XLIONFOSSA-N 1 0 402.539 0.586 20 0 HCADRO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000499737565 1081143917 /nfs/dbraw/zinc/14/39/17/1081143917.db2.gz BFFUMBFKAZZQBT-YLJYHZDGSA-N 1 0 402.539 0.586 20 0 HCADRO COCC[NH+]1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000499738814 1081144608 /nfs/dbraw/zinc/14/46/08/1081144608.db2.gz GVWYAQOSEBKCGJ-CRAIPNDOSA-N 1 0 413.540 0.250 20 0 HCADRO COCC[NH+]1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000499738815 1081144571 /nfs/dbraw/zinc/14/45/71/1081144571.db2.gz GVWYAQOSEBKCGJ-MAUKXSAKSA-N 1 0 413.540 0.250 20 0 HCADRO COCC[NH+]1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000499738816 1081144547 /nfs/dbraw/zinc/14/45/47/1081144547.db2.gz GVWYAQOSEBKCGJ-QAPCUYQASA-N 1 0 413.540 0.250 20 0 HCADRO COCC[NH+]1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000499738817 1081144592 /nfs/dbraw/zinc/14/45/92/1081144592.db2.gz GVWYAQOSEBKCGJ-YJBOKZPZSA-N 1 0 413.540 0.250 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](NC(=O)C3CC3)[C@H](C)O)cc2)CC1 ZINC000499744628 1081152515 /nfs/dbraw/zinc/15/25/15/1081152515.db2.gz VKYCVYXKJQZGBD-JXFKEZNVSA-N 1 0 402.539 0.716 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](NC(=O)C3CC3)[C@H](C)O)cc2)CC1 ZINC000499744629 1081152865 /nfs/dbraw/zinc/15/28/65/1081152865.db2.gz VKYCVYXKJQZGBD-OXJNMPFZSA-N 1 0 402.539 0.716 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](NC(=O)C3CC3)[C@@H](C)O)cc2)CC1 ZINC000499744630 1081152809 /nfs/dbraw/zinc/15/28/09/1081152809.db2.gz VKYCVYXKJQZGBD-OXQOHEQNSA-N 1 0 402.539 0.716 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](NC(=O)C3CC3)[C@@H](C)O)cc2)CC1 ZINC000499744977 1081152753 /nfs/dbraw/zinc/15/27/53/1081152753.db2.gz VKYCVYXKJQZGBD-UZLBHIALSA-N 1 0 402.539 0.716 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000499746209 1081157989 /nfs/dbraw/zinc/15/79/89/1081157989.db2.gz YSPGFEAKHMTWMV-UHFFFAOYSA-N 1 0 410.540 0.576 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000499746376 1081157271 /nfs/dbraw/zinc/15/72/71/1081157271.db2.gz BAPFJEKPZMBMAF-UHFFFAOYSA-N 1 0 409.508 0.947 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(CCO)CC2)c1 ZINC000499749640 1081159668 /nfs/dbraw/zinc/15/96/68/1081159668.db2.gz KYVDMYDDPYFTRF-UHFFFAOYSA-N 1 0 405.499 0.042 20 0 HCADRO Cc1cc(NC(=O)CCN2[C@H](C)C[N@@H+](CCC(=O)Nc3cc(C)on3)C[C@@H]2C)no1 ZINC000499750637 1081161018 /nfs/dbraw/zinc/16/10/18/1081161018.db2.gz SIABVERPNSZSBD-OKILXGFUSA-N 1 0 418.498 0.875 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1=O ZINC000499754264 1081167822 /nfs/dbraw/zinc/16/78/22/1081167822.db2.gz FFAHATUZZXZDQO-KRWDZBQOSA-N 1 0 402.495 0.549 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1=O ZINC000499754265 1081167900 /nfs/dbraw/zinc/16/79/00/1081167900.db2.gz FFAHATUZZXZDQO-QGZVFWFLSA-N 1 0 402.495 0.549 20 0 HCADRO COCC[N@H+](C)CCCC1CCN(C(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000499755863 1081168532 /nfs/dbraw/zinc/16/85/32/1081168532.db2.gz YVXFCCFONUSYCN-UHFFFAOYSA-N 1 0 404.577 0.802 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1=O ZINC000499756168 1081171764 /nfs/dbraw/zinc/17/17/64/1081171764.db2.gz AZPDTKXTOJGMBY-CRAIPNDOSA-N 1 0 402.495 0.896 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1=O ZINC000499756169 1081171719 /nfs/dbraw/zinc/17/17/19/1081171719.db2.gz AZPDTKXTOJGMBY-MAUKXSAKSA-N 1 0 402.495 0.896 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1=O ZINC000499756170 1081171707 /nfs/dbraw/zinc/17/17/07/1081171707.db2.gz AZPDTKXTOJGMBY-QAPCUYQASA-N 1 0 402.495 0.896 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1=O ZINC000499756171 1081171782 /nfs/dbraw/zinc/17/17/82/1081171782.db2.gz AZPDTKXTOJGMBY-YJBOKZPZSA-N 1 0 402.495 0.896 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1=O ZINC000499758266 1081172422 /nfs/dbraw/zinc/17/24/22/1081172422.db2.gz NANNZKWWERSRGJ-GOSISDBHSA-N 1 0 402.495 0.898 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1=O ZINC000499758267 1081172274 /nfs/dbraw/zinc/17/22/74/1081172274.db2.gz NANNZKWWERSRGJ-SFHVURJKSA-N 1 0 402.495 0.898 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1=O ZINC000499764834 1081179842 /nfs/dbraw/zinc/17/98/42/1081179842.db2.gz CIDSEUHCFBXBIW-BBWFWOEESA-N 1 0 410.515 0.218 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1=O ZINC000499764838 1081179967 /nfs/dbraw/zinc/17/99/67/1081179967.db2.gz CIDSEUHCFBXBIW-GVDBMIGSSA-N 1 0 410.515 0.218 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1=O ZINC000499764841 1081180435 /nfs/dbraw/zinc/18/04/35/1081180435.db2.gz CIDSEUHCFBXBIW-ULQDDVLXSA-N 1 0 410.515 0.218 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1=O ZINC000499764844 1081180498 /nfs/dbraw/zinc/18/04/98/1081180498.db2.gz CIDSEUHCFBXBIW-YESZJQIVSA-N 1 0 410.515 0.218 20 0 HCADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000499766364 1081183879 /nfs/dbraw/zinc/18/38/79/1081183879.db2.gz QEQJVZHJDVCLIP-HNNXBMFYSA-N 1 0 415.585 0.833 20 0 HCADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000499766365 1081184009 /nfs/dbraw/zinc/18/40/09/1081184009.db2.gz QEQJVZHJDVCLIP-OAHLLOKOSA-N 1 0 415.585 0.833 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000499770554 1081197546 /nfs/dbraw/zinc/19/75/46/1081197546.db2.gz CMQZLEKTTLBZQL-INIZCTEOSA-N 1 0 408.256 0.514 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000499770555 1081197807 /nfs/dbraw/zinc/19/78/07/1081197807.db2.gz CMQZLEKTTLBZQL-MRXNPFEDSA-N 1 0 408.256 0.514 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](CO)C2CCOCC2)c1 ZINC000499773051 1081193975 /nfs/dbraw/zinc/19/39/75/1081193975.db2.gz SQMXYCOREOIVTJ-GOSISDBHSA-N 1 0 420.510 0.809 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](CO)C2CCOCC2)c1 ZINC000499773052 1081193878 /nfs/dbraw/zinc/19/38/78/1081193878.db2.gz SQMXYCOREOIVTJ-SFHVURJKSA-N 1 0 420.510 0.809 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1=O ZINC000499777702 1081214834 /nfs/dbraw/zinc/21/48/34/1081214834.db2.gz YMASFZFSTZTEIA-HNNXBMFYSA-N 1 0 412.556 0.811 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1=O ZINC000499777703 1081214592 /nfs/dbraw/zinc/21/45/92/1081214592.db2.gz YMASFZFSTZTEIA-OAHLLOKOSA-N 1 0 412.556 0.811 20 0 HCADRO CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)C1 ZINC000499780560 1081224048 /nfs/dbraw/zinc/22/40/48/1081224048.db2.gz WYZCNCNGOMTUNN-UHFFFAOYSA-N 1 0 403.483 0.500 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1=O ZINC000499781691 1081219588 /nfs/dbraw/zinc/21/95/88/1081219588.db2.gz BOVSBLCXLFGULA-KRWDZBQOSA-N 1 0 424.542 0.732 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1=O ZINC000499781692 1081219447 /nfs/dbraw/zinc/21/94/47/1081219447.db2.gz BOVSBLCXLFGULA-QGZVFWFLSA-N 1 0 424.542 0.732 20 0 HCADRO Cc1cccn(Cc2c(F)cccc2NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1=O ZINC000499782296 1081229906 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0.985 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000499786841 1081233454 /nfs/dbraw/zinc/23/34/54/1081233454.db2.gz QPGGKQSLVUKEGG-KRWDZBQOSA-N 1 0 410.515 0.437 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000499786865 1081233598 /nfs/dbraw/zinc/23/35/98/1081233598.db2.gz QPGGKQSLVUKEGG-QGZVFWFLSA-N 1 0 410.515 0.437 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1=O ZINC000499787024 1081233570 /nfs/dbraw/zinc/23/35/70/1081233570.db2.gz RTPMQAGXSPXZDN-KRWDZBQOSA-N 1 0 423.558 0.400 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1=O ZINC000499787025 1081233356 /nfs/dbraw/zinc/23/33/56/1081233356.db2.gz RTPMQAGXSPXZDN-QGZVFWFLSA-N 1 0 423.558 0.400 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000499788610 1081234953 /nfs/dbraw/zinc/23/49/53/1081234953.db2.gz ZEFNQDZLFQSSSJ-KRWDZBQOSA-N 1 0 403.483 0.509 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000499788611 1081235113 /nfs/dbraw/zinc/23/51/13/1081235113.db2.gz ZEFNQDZLFQSSSJ-QGZVFWFLSA-N 1 0 403.483 0.509 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1=O ZINC000499788698 1081235528 /nfs/dbraw/zinc/23/55/28/1081235528.db2.gz ZVIURROQTDUAFS-HNNXBMFYSA-N 1 0 405.455 0.086 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1=O ZINC000499788699 1081235677 /nfs/dbraw/zinc/23/56/77/1081235677.db2.gz ZVIURROQTDUAFS-OAHLLOKOSA-N 1 0 405.455 0.086 20 0 HCADRO CN(CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)S(C)(=O)=O ZINC000499790509 1081236799 /nfs/dbraw/zinc/23/67/99/1081236799.db2.gz DIOYWGCEFMLIRP-KRWDZBQOSA-N 1 0 409.556 0.334 20 0 HCADRO CN(CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)S(C)(=O)=O ZINC000499790511 1081236517 /nfs/dbraw/zinc/23/65/17/1081236517.db2.gz DIOYWGCEFMLIRP-QGZVFWFLSA-N 1 0 409.556 0.334 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)CC1 ZINC000499798328 1081245130 /nfs/dbraw/zinc/24/51/30/1081245130.db2.gz QAJRSTOOUVAZSQ-UHFFFAOYSA-N 1 0 411.591 0.977 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000499799652 1081242185 /nfs/dbraw/zinc/24/21/85/1081242185.db2.gz SDBFRUYMLDBCAM-BQFCYCMXSA-N 1 0 424.542 0.681 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000499799653 1081242272 /nfs/dbraw/zinc/24/22/72/1081242272.db2.gz SDBFRUYMLDBCAM-JZXOWHBKSA-N 1 0 424.542 0.681 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000499799654 1081242316 /nfs/dbraw/zinc/24/23/16/1081242316.db2.gz SDBFRUYMLDBCAM-NUJGCVRESA-N 1 0 424.542 0.681 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000499799655 1081242145 /nfs/dbraw/zinc/24/21/45/1081242145.db2.gz SDBFRUYMLDBCAM-SOLBZPMBSA-N 1 0 424.542 0.681 20 0 HCADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)Nc3cccc4c3CNC4=O)CC2)CC1 ZINC000499802575 1081248530 /nfs/dbraw/zinc/24/85/30/1081248530.db2.gz AASXLXPNCULKIO-UHFFFAOYSA-N 1 0 413.522 0.745 20 0 HCADRO O=C(CN1CSCC1=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000499805111 1081246415 /nfs/dbraw/zinc/24/64/15/1081246415.db2.gz AOHRUBJFNMOUJS-KRWDZBQOSA-N 1 0 403.552 0.975 20 0 HCADRO O=C(CN1CSCC1=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000499805112 1081246562 /nfs/dbraw/zinc/24/65/62/1081246562.db2.gz AOHRUBJFNMOUJS-QGZVFWFLSA-N 1 0 403.552 0.975 20 0 HCADRO CN1CC(=O)N(CC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000499806666 1081251565 /nfs/dbraw/zinc/25/15/65/1081251565.db2.gz YXWUCQOGBLZRMZ-KRWDZBQOSA-N 1 0 414.510 0.336 20 0 HCADRO CN1CC(=O)N(CC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000499806689 1081251250 /nfs/dbraw/zinc/25/12/50/1081251250.db2.gz YXWUCQOGBLZRMZ-QGZVFWFLSA-N 1 0 414.510 0.336 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000499806748 1081251160 /nfs/dbraw/zinc/25/11/60/1081251160.db2.gz JCTVAVXDSCGBPK-GOSISDBHSA-N 1 0 417.510 0.448 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000499806749 1081251337 /nfs/dbraw/zinc/25/13/37/1081251337.db2.gz JCTVAVXDSCGBPK-SFHVURJKSA-N 1 0 417.510 0.448 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000499807604 1081252068 /nfs/dbraw/zinc/25/20/68/1081252068.db2.gz GFRWKYHJSTWISP-UJJTZGENSA-N 1 0 421.542 0.103 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000499807605 1081251774 /nfs/dbraw/zinc/25/17/74/1081251774.db2.gz GFRWKYHJSTWISP-WFFDWFOESA-N 1 0 421.542 0.103 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2ccn(C)n2)c1 ZINC000499808593 1081251506 /nfs/dbraw/zinc/25/15/06/1081251506.db2.gz FMLWVPYLSVEQFF-UHFFFAOYSA-N 1 0 400.483 0.998 20 0 HCADRO O=C(CN1CCCS1(=O)=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000499809462 1081252942 /nfs/dbraw/zinc/25/29/42/1081252942.db2.gz JOPKECCNLHIFIA-GOSISDBHSA-N 1 0 421.567 0.478 20 0 HCADRO O=C(CN1CCCS1(=O)=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000499809471 1081252895 /nfs/dbraw/zinc/25/28/95/1081252895.db2.gz JOPKECCNLHIFIA-SFHVURJKSA-N 1 0 421.567 0.478 20 0 HCADRO C[N@H+]1CC=C(CNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000499811072 1081253454 /nfs/dbraw/zinc/25/34/54/1081253454.db2.gz JXSNWPDGFFMJJP-DLBZAZTESA-N 1 0 412.490 0.400 20 0 HCADRO C[N@H+]1CC=C(CNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000499811073 1081253289 /nfs/dbraw/zinc/25/32/89/1081253289.db2.gz JXSNWPDGFFMJJP-IAGOWNOFSA-N 1 0 412.490 0.400 20 0 HCADRO C[N@H+]1CC=C(CNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000499811074 1081253264 /nfs/dbraw/zinc/25/32/64/1081253264.db2.gz JXSNWPDGFFMJJP-IRXDYDNUSA-N 1 0 412.490 0.400 20 0 HCADRO C[N@H+]1CC=C(CNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000499811075 1081253504 /nfs/dbraw/zinc/25/35/04/1081253504.db2.gz JXSNWPDGFFMJJP-SJORKVTESA-N 1 0 412.490 0.400 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2nc(N)no2)c1 ZINC000499811580 1081254416 /nfs/dbraw/zinc/25/44/16/1081254416.db2.gz KVQRELYJDGCGTK-UHFFFAOYSA-N 1 0 403.443 0.230 20 0 HCADRO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000499811934 1081254389 /nfs/dbraw/zinc/25/43/89/1081254389.db2.gz DQMCMWQRAUBMLY-FDQGKXFDSA-N 1 0 402.495 0.598 20 0 HCADRO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000499811935 1081254211 /nfs/dbraw/zinc/25/42/11/1081254211.db2.gz DQMCMWQRAUBMLY-OWQGQXMQSA-N 1 0 402.495 0.598 20 0 HCADRO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000499811936 1081254180 /nfs/dbraw/zinc/25/41/80/1081254180.db2.gz DQMCMWQRAUBMLY-QANKJYHBSA-N 1 0 402.495 0.598 20 0 HCADRO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000499811937 1081254345 /nfs/dbraw/zinc/25/43/45/1081254345.db2.gz DQMCMWQRAUBMLY-XCRHUMRWSA-N 1 0 402.495 0.598 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000499813346 1081258191 /nfs/dbraw/zinc/25/81/91/1081258191.db2.gz RNXPBIHWRYOBAB-KRWDZBQOSA-N 1 0 403.483 0.509 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000499813347 1081258072 /nfs/dbraw/zinc/25/80/72/1081258072.db2.gz RNXPBIHWRYOBAB-QGZVFWFLSA-N 1 0 403.483 0.509 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)ccc1F ZINC000499813692 1081256469 /nfs/dbraw/zinc/25/64/69/1081256469.db2.gz HTILYQISVRPWPB-UHFFFAOYSA-N 1 0 400.476 0.520 20 0 HCADRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CCC[N@@H+]1C ZINC000499817326 1081260598 /nfs/dbraw/zinc/26/05/98/1081260598.db2.gz NZTJOPRENFCAIH-BXUZGUMPSA-N 1 0 400.476 0.613 20 0 HCADRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CCC[N@@H+]1C ZINC000499817327 1081260730 /nfs/dbraw/zinc/26/07/30/1081260730.db2.gz NZTJOPRENFCAIH-FZMZJTMJSA-N 1 0 400.476 0.613 20 0 HCADRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CCC[N@@H+]1C ZINC000499817329 1081260670 /nfs/dbraw/zinc/26/06/70/1081260670.db2.gz NZTJOPRENFCAIH-RISCZKNCSA-N 1 0 400.476 0.613 20 0 HCADRO C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CCC[N@@H+]1C ZINC000499817331 1081260473 /nfs/dbraw/zinc/26/04/73/1081260473.db2.gz NZTJOPRENFCAIH-SMDDNHRTSA-N 1 0 400.476 0.613 20 0 HCADRO O=C(CCN1C(=O)CCC1=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000499826951 1081263938 /nfs/dbraw/zinc/26/39/38/1081263938.db2.gz JEEUKQFGCZENGV-GOSISDBHSA-N 1 0 413.522 0.981 20 0 HCADRO O=C(CCN1C(=O)CCC1=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000499826955 1081263815 /nfs/dbraw/zinc/26/38/15/1081263815.db2.gz JEEUKQFGCZENGV-SFHVURJKSA-N 1 0 413.522 0.981 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4C(=O)CCC4=O)c3)[C@@H]2C1 ZINC000499828571 1081270062 /nfs/dbraw/zinc/27/00/62/1081270062.db2.gz AGFZDWQWGDUPIZ-BLLLJJGKSA-N 1 0 402.426 0.970 20 0 HCADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4C(=O)CCC4=O)c3)[C@H]2C1 ZINC000499828572 1081270277 /nfs/dbraw/zinc/27/02/77/1081270277.db2.gz AGFZDWQWGDUPIZ-LRDDRELGSA-N 1 0 402.426 0.970 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4C(=O)CCC4=O)c3)[C@@H]2C1 ZINC000499828573 1081270505 /nfs/dbraw/zinc/27/05/05/1081270505.db2.gz AGFZDWQWGDUPIZ-MLGOLLRUSA-N 1 0 402.426 0.970 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4C(=O)CCC4=O)c3)[C@H]2C1 ZINC000499828574 1081270532 /nfs/dbraw/zinc/27/05/32/1081270532.db2.gz AGFZDWQWGDUPIZ-WBMJQRKESA-N 1 0 402.426 0.970 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000499830445 1081266962 /nfs/dbraw/zinc/26/69/62/1081266962.db2.gz DUFKOILRKIQPTM-PMACEKPBSA-N 1 0 423.517 0.879 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000499830446 1081266747 /nfs/dbraw/zinc/26/67/47/1081266747.db2.gz DUFKOILRKIQPTM-UXHICEINSA-N 1 0 423.517 0.879 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000499830447 1081266547 /nfs/dbraw/zinc/26/65/47/1081266547.db2.gz DUFKOILRKIQPTM-VQTJNVASSA-N 1 0 423.517 0.879 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000499830448 1081266903 /nfs/dbraw/zinc/26/69/03/1081266903.db2.gz DUFKOILRKIQPTM-WOJBJXKFSA-N 1 0 423.517 0.879 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1F ZINC000499834699 1081270847 /nfs/dbraw/zinc/27/08/47/1081270847.db2.gz DQRLWBPDRLYUAZ-DOMZBBRYSA-N 1 0 412.487 0.567 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1F ZINC000499834701 1081271092 /nfs/dbraw/zinc/27/10/92/1081271092.db2.gz DQRLWBPDRLYUAZ-IUODEOHRSA-N 1 0 412.487 0.567 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1F ZINC000499834703 1081271008 /nfs/dbraw/zinc/27/10/08/1081271008.db2.gz DQRLWBPDRLYUAZ-SWLSCSKDSA-N 1 0 412.487 0.567 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1F ZINC000499834707 1081270885 /nfs/dbraw/zinc/27/08/85/1081270885.db2.gz DQRLWBPDRLYUAZ-WFASDCNBSA-N 1 0 412.487 0.567 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)ccc1F ZINC000499835744 1081271798 /nfs/dbraw/zinc/27/17/98/1081271798.db2.gz RKDFTHZAOJPGFK-UHFFFAOYSA-N 1 0 414.503 0.863 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000499837351 1081272236 /nfs/dbraw/zinc/27/22/36/1081272236.db2.gz WOTBEIBTWJIXNI-GDBMZVCRSA-N 1 0 409.508 0.731 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000499837357 1081275813 /nfs/dbraw/zinc/27/58/13/1081275813.db2.gz WOTBEIBTWJIXNI-GOEBONIOSA-N 1 0 409.508 0.731 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000499837362 1081275749 /nfs/dbraw/zinc/27/57/49/1081275749.db2.gz WOTBEIBTWJIXNI-HOCLYGCPSA-N 1 0 409.508 0.731 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000499837365 1081275793 /nfs/dbraw/zinc/27/57/93/1081275793.db2.gz WOTBEIBTWJIXNI-ZBFHGGJFSA-N 1 0 409.508 0.731 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000499837524 1081272999 /nfs/dbraw/zinc/27/29/99/1081272999.db2.gz FHVCOUFMBCVXCI-DLBZAZTESA-N 1 0 423.535 0.279 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000499837540 1081273007 /nfs/dbraw/zinc/27/30/07/1081273007.db2.gz FHVCOUFMBCVXCI-IAGOWNOFSA-N 1 0 423.535 0.279 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000499837543 1081273050 /nfs/dbraw/zinc/27/30/50/1081273050.db2.gz FHVCOUFMBCVXCI-IRXDYDNUSA-N 1 0 423.535 0.279 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000499837545 1081272956 /nfs/dbraw/zinc/27/29/56/1081272956.db2.gz FHVCOUFMBCVXCI-SJORKVTESA-N 1 0 423.535 0.279 20 0 HCADRO CCN1CCN(C(=O)C(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)CC1=O ZINC000499838444 1081276396 /nfs/dbraw/zinc/27/63/96/1081276396.db2.gz NNJJDKSLPUSQJV-UHFFFAOYSA-N 1 0 403.483 0.596 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000499839411 1081273518 /nfs/dbraw/zinc/27/35/18/1081273518.db2.gz LPIWPWMLPHUMNQ-DOTOQJQBSA-N 1 0 401.529 0.059 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000499839414 1081273802 /nfs/dbraw/zinc/27/38/02/1081273802.db2.gz LPIWPWMLPHUMNQ-NVXWUHKLSA-N 1 0 401.529 0.059 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000499839415 1081273863 /nfs/dbraw/zinc/27/38/63/1081273863.db2.gz LPIWPWMLPHUMNQ-RDJZCZTQSA-N 1 0 401.529 0.059 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000499839417 1081273729 /nfs/dbraw/zinc/27/37/29/1081273729.db2.gz LPIWPWMLPHUMNQ-WBVHZDCISA-N 1 0 401.529 0.059 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)[C@H](C)O)cc1 ZINC000499840052 1081276669 /nfs/dbraw/zinc/27/66/69/1081276669.db2.gz NLYPMOQYOBACMU-DOTOQJQBSA-N 1 0 413.540 0.250 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)[C@@H](C)O)cc1 ZINC000499840053 1081276736 /nfs/dbraw/zinc/27/67/36/1081276736.db2.gz NLYPMOQYOBACMU-NVXWUHKLSA-N 1 0 413.540 0.250 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC2([NH+](C)C)CCOCC2)[C@H](C)O)cc1 ZINC000499840054 1081276711 /nfs/dbraw/zinc/27/67/11/1081276711.db2.gz NLYPMOQYOBACMU-RDJZCZTQSA-N 1 0 413.540 0.250 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC2([NH+](C)C)CCOCC2)[C@@H](C)O)cc1 ZINC000499840055 1081276685 /nfs/dbraw/zinc/27/66/85/1081276685.db2.gz NLYPMOQYOBACMU-WBVHZDCISA-N 1 0 413.540 0.250 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)ccc1F ZINC000499840548 1081274349 /nfs/dbraw/zinc/27/43/49/1081274349.db2.gz OJNUSDRUXHTILB-UHFFFAOYSA-N 1 0 414.503 0.911 20 0 HCADRO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000499842863 1081279017 /nfs/dbraw/zinc/27/90/17/1081279017.db2.gz WHUISCFLQYWQTQ-BEFAXECRSA-N 1 0 404.511 0.527 20 0 HCADRO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000499842866 1081279054 /nfs/dbraw/zinc/27/90/54/1081279054.db2.gz WHUISCFLQYWQTQ-DNVCBOLYSA-N 1 0 404.511 0.527 20 0 HCADRO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000499842867 1081279392 /nfs/dbraw/zinc/27/93/92/1081279392.db2.gz WHUISCFLQYWQTQ-HNAYVOBHSA-N 1 0 404.511 0.527 20 0 HCADRO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000499842870 1081279329 /nfs/dbraw/zinc/27/93/29/1081279329.db2.gz WHUISCFLQYWQTQ-KXBFYZLASA-N 1 0 404.511 0.527 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)ccc1F ZINC000499844115 1081276745 /nfs/dbraw/zinc/27/67/45/1081276745.db2.gz VJLAJGGBMZUKFU-UHFFFAOYSA-N 1 0 400.476 0.661 20 0 HCADRO COCCC[N@H+](C)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000499844119 1081276676 /nfs/dbraw/zinc/27/66/76/1081276676.db2.gz VKUOVXFSWCXYJY-UHFFFAOYSA-N 1 0 419.569 0.396 20 0 HCADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)Nc1cccc2c1CNC2=O ZINC000499844647 1081277594 /nfs/dbraw/zinc/27/75/94/1081277594.db2.gz ZQVBFKZCKFLONG-INIZCTEOSA-N 1 0 408.458 0.752 20 0 HCADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)Nc1cccc2c1CNC2=O ZINC000499844648 1081277562 /nfs/dbraw/zinc/27/75/62/1081277562.db2.gz ZQVBFKZCKFLONG-MRXNPFEDSA-N 1 0 408.458 0.752 20 0 HCADRO CC[NH+](CC)CCOc1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)ccc1OC ZINC000499848714 1081281637 /nfs/dbraw/zinc/28/16/37/1081281637.db2.gz VUCGIABGIGNZNQ-UHFFFAOYSA-N 1 0 404.467 0.915 20 0 HCADRO CN(CC(=O)NCc1ccccc1OCC[NH+](C)C)S(=O)(=O)c1cccnc1 ZINC000499849338 1081279538 /nfs/dbraw/zinc/27/95/38/1081279538.db2.gz XYNSOKOJBDGHFN-UHFFFAOYSA-N 1 0 406.508 0.959 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000499852116 1081281202 /nfs/dbraw/zinc/28/12/02/1081281202.db2.gz WOQWFQJCYZRTTM-INIZCTEOSA-N 1 0 416.478 0.043 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000499852117 1081281092 /nfs/dbraw/zinc/28/10/92/1081281092.db2.gz WOQWFQJCYZRTTM-MRXNPFEDSA-N 1 0 416.478 0.043 20 0 HCADRO CC(C)NC(=O)CN(C)CC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000499857175 1081283149 /nfs/dbraw/zinc/28/31/49/1081283149.db2.gz AMPSGGUABDRTNN-UHFFFAOYSA-N 1 0 405.543 0.708 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000499861693 1081285042 /nfs/dbraw/zinc/28/50/42/1081285042.db2.gz MJFFFYLVVNCCII-JFIYKMOQSA-N 1 0 413.540 0.250 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000499861694 1081285026 /nfs/dbraw/zinc/28/50/26/1081285026.db2.gz MJFFFYLVVNCCII-JZXOWHBKSA-N 1 0 413.540 0.250 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000499861695 1081284924 /nfs/dbraw/zinc/28/49/24/1081284924.db2.gz MJFFFYLVVNCCII-LZLYRXPVSA-N 1 0 413.540 0.250 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000499861696 1081284811 /nfs/dbraw/zinc/28/48/11/1081284811.db2.gz MJFFFYLVVNCCII-NUJGCVRESA-N 1 0 413.540 0.250 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C1=O ZINC000499872138 1081288186 /nfs/dbraw/zinc/28/81/86/1081288186.db2.gz QIRZPBRVGQQNDX-AWEZNQCLSA-N 1 0 405.455 0.133 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C1=O ZINC000499872140 1081288140 /nfs/dbraw/zinc/28/81/40/1081288140.db2.gz QIRZPBRVGQQNDX-CQSZACIVSA-N 1 0 405.455 0.133 20 0 HCADRO CC[N@@H+]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000499880580 1081291058 /nfs/dbraw/zinc/29/10/58/1081291058.db2.gz IWGJMAAYLZIXII-UHFFFAOYSA-N 1 0 401.554 0.866 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000499886661 1081291687 /nfs/dbraw/zinc/29/16/87/1081291687.db2.gz KBAZTSHUCYAXFQ-INIZCTEOSA-N 1 0 419.526 0.894 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000499886662 1081291770 /nfs/dbraw/zinc/29/17/70/1081291770.db2.gz KBAZTSHUCYAXFQ-MRXNPFEDSA-N 1 0 419.526 0.894 20 0 HCADRO COC(=O)CCN1CC[C@H](NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1=O ZINC000499890135 1081294126 /nfs/dbraw/zinc/29/41/26/1081294126.db2.gz SZNJPVLFYGVJJU-HNNXBMFYSA-N 1 0 406.487 0.744 20 0 HCADRO COC(=O)CCN1CC[C@@H](NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1=O ZINC000499890136 1081294071 /nfs/dbraw/zinc/29/40/71/1081294071.db2.gz SZNJPVLFYGVJJU-OAHLLOKOSA-N 1 0 406.487 0.744 20 0 HCADRO CCC[C@@H]1CN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC[N@@H+]1CCOC ZINC000499894028 1081292377 /nfs/dbraw/zinc/29/23/77/1081292377.db2.gz HDYICZCPVHJASI-GOSISDBHSA-N 1 0 422.530 0.707 20 0 HCADRO CCC[C@H]1CN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC[N@@H+]1CCOC ZINC000499894029 1081292354 /nfs/dbraw/zinc/29/23/54/1081292354.db2.gz HDYICZCPVHJASI-SFHVURJKSA-N 1 0 422.530 0.707 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000499895127 1081292797 /nfs/dbraw/zinc/29/27/97/1081292797.db2.gz KIOODCASHVCQJG-HNNXBMFYSA-N 1 0 414.528 0.218 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000499895128 1081293101 /nfs/dbraw/zinc/29/31/01/1081293101.db2.gz KIOODCASHVCQJG-OAHLLOKOSA-N 1 0 414.528 0.218 20 0 HCADRO CCC[C@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC[N@@H+]1CCOC ZINC000499898222 1081296919 /nfs/dbraw/zinc/29/69/19/1081296919.db2.gz SIKLDBLFGLKPGY-KRWDZBQOSA-N 1 0 422.530 0.707 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)C1 ZINC000499898317 1081296951 /nfs/dbraw/zinc/29/69/51/1081296951.db2.gz NIOSZKBZSBVCFM-GOSISDBHSA-N 1 0 409.533 0.939 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)C1 ZINC000499898318 1081297554 /nfs/dbraw/zinc/29/75/54/1081297554.db2.gz NIOSZKBZSBVCFM-SFHVURJKSA-N 1 0 409.533 0.939 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000499898922 1081297756 /nfs/dbraw/zinc/29/77/56/1081297756.db2.gz ORRUEAUUEROMSR-IBGZPJMESA-N 1 0 414.506 0.628 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000499898929 1081297691 /nfs/dbraw/zinc/29/76/91/1081297691.db2.gz ORRUEAUUEROMSR-LJQANCHMSA-N 1 0 414.506 0.628 20 0 HCADRO Cc1c(NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)n(C)nc1C(F)(F)F ZINC000499901907 1081301040 /nfs/dbraw/zinc/30/10/40/1081301040.db2.gz FOZXVAMJQYCDDW-UHFFFAOYSA-N 1 0 404.437 0.782 20 0 HCADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000499902632 1081301445 /nfs/dbraw/zinc/30/14/45/1081301445.db2.gz HGEPXHIJUCPESC-UHFFFAOYSA-N 1 0 421.494 0.768 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000499907425 1081300446 /nfs/dbraw/zinc/30/04/46/1081300446.db2.gz RGQBVPHMPHFOJA-UHFFFAOYSA-N 1 0 423.901 0.705 20 0 HCADRO CN(CCC[NH+]1CCCC1)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000499910311 1081300729 /nfs/dbraw/zinc/30/07/29/1081300729.db2.gz VLEKQHRTSUPTCV-UHFFFAOYSA-N 1 0 400.531 0.430 20 0 HCADRO CN(CCC[NH+]1CCCC1)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000499911709 1081303498 /nfs/dbraw/zinc/30/34/98/1081303498.db2.gz FWFHFOKPNLFZBH-UHFFFAOYSA-N 1 0 413.522 0.778 20 0 HCADRO CC(C)[C@H](CNC(=O)NCc1cccnc1N1CCOCC1)[NH+]1CCN(C)CC1 ZINC000499912897 1081303963 /nfs/dbraw/zinc/30/39/63/1081303963.db2.gz MIVUHWISBMUVFZ-IBGZPJMESA-N 1 0 404.559 0.989 20 0 HCADRO CC(C)[C@@H](CNC(=O)NCc1cccnc1N1CCOCC1)[NH+]1CCN(C)CC1 ZINC000499912899 1081303868 /nfs/dbraw/zinc/30/38/68/1081303868.db2.gz MIVUHWISBMUVFZ-LJQANCHMSA-N 1 0 404.559 0.989 20 0 HCADRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000499913104 1081303617 /nfs/dbraw/zinc/30/36/17/1081303617.db2.gz IDHGWFFDVSSQPI-AWEZNQCLSA-N 1 0 401.554 0.864 20 0 HCADRO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000499913105 1081303988 /nfs/dbraw/zinc/30/39/88/1081303988.db2.gz IDHGWFFDVSSQPI-CQSZACIVSA-N 1 0 401.554 0.864 20 0 HCADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000499914780 1081301708 /nfs/dbraw/zinc/30/17/08/1081301708.db2.gz MZYXENQVEBZOKH-UHFFFAOYSA-N 1 0 402.542 0.270 20 0 HCADRO CN(CCC[NH+]1CCCC1)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000499914867 1081301822 /nfs/dbraw/zinc/30/18/22/1081301822.db2.gz WCJCZRZSHQJPNE-MSOLQXFVSA-N 1 0 401.573 0.599 20 0 HCADRO CN(CCC[NH+]1CCCC1)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000499914868 1081301800 /nfs/dbraw/zinc/30/18/00/1081301800.db2.gz WCJCZRZSHQJPNE-QZTJIDSGSA-N 1 0 401.573 0.599 20 0 HCADRO CN(CCC[NH+]1CCCC1)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000499914869 1081301843 /nfs/dbraw/zinc/30/18/43/1081301843.db2.gz WCJCZRZSHQJPNE-ROUUACIJSA-N 1 0 401.573 0.599 20 0 HCADRO CN(CCC[NH+]1CCCC1)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000499914870 1081301858 /nfs/dbraw/zinc/30/18/58/1081301858.db2.gz WCJCZRZSHQJPNE-ZWKOTPCHSA-N 1 0 401.573 0.599 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2nnc(C)[nH]2)c1 ZINC000499914968 1081301729 /nfs/dbraw/zinc/30/17/29/1081301729.db2.gz NMJSQTWXPNBCEJ-UHFFFAOYSA-N 1 0 401.471 0.691 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000499916387 1081302109 /nfs/dbraw/zinc/30/21/09/1081302109.db2.gz CUHWBCWNDJYRGM-DZGCQCFKSA-N 1 0 402.517 0.527 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000499916388 1081302174 /nfs/dbraw/zinc/30/21/74/1081302174.db2.gz CUHWBCWNDJYRGM-ZFWWWQNUSA-N 1 0 402.517 0.527 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000499918448 1081305298 /nfs/dbraw/zinc/30/52/98/1081305298.db2.gz CXLJUGHHYUKIPV-AWEZNQCLSA-N 1 0 412.487 0.710 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000499918449 1081305232 /nfs/dbraw/zinc/30/52/32/1081305232.db2.gz CXLJUGHHYUKIPV-CQSZACIVSA-N 1 0 412.487 0.710 20 0 HCADRO COCCNS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000499921011 1081305981 /nfs/dbraw/zinc/30/59/81/1081305981.db2.gz NDCGXDUARAQGGG-KRWDZBQOSA-N 1 0 413.540 0.794 20 0 HCADRO COCCNS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000499921014 1081305741 /nfs/dbraw/zinc/30/57/41/1081305741.db2.gz NDCGXDUARAQGGG-QGZVFWFLSA-N 1 0 413.540 0.794 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000499923717 1081304362 /nfs/dbraw/zinc/30/43/62/1081304362.db2.gz RUXGNNIJTRRNSY-HNNXBMFYSA-N 1 0 409.508 0.873 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000499923719 1081304400 /nfs/dbraw/zinc/30/44/00/1081304400.db2.gz RUXGNNIJTRRNSY-OAHLLOKOSA-N 1 0 409.508 0.873 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C(N)=O)C(C)(C)C)c1 ZINC000499924429 1081304804 /nfs/dbraw/zinc/30/48/04/1081304804.db2.gz SPFADLSDMNPOCK-INIZCTEOSA-N 1 0 405.499 0.922 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)(C)C)c1 ZINC000499924436 1081304895 /nfs/dbraw/zinc/30/48/95/1081304895.db2.gz SPFADLSDMNPOCK-MRXNPFEDSA-N 1 0 405.499 0.922 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000499936121 1081313312 /nfs/dbraw/zinc/31/33/12/1081313312.db2.gz ZQDAOEMPPRHVRT-LLVKDONJSA-N 1 0 403.277 0.281 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000499936122 1081313290 /nfs/dbraw/zinc/31/32/90/1081313290.db2.gz ZQDAOEMPPRHVRT-NSHDSACASA-N 1 0 403.277 0.281 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)c1 ZINC000499950894 1081326832 /nfs/dbraw/zinc/32/68/32/1081326832.db2.gz CYWSHBMUZJNJEP-AWEZNQCLSA-N 1 0 403.483 0.595 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)c1 ZINC000499950898 1081326903 /nfs/dbraw/zinc/32/69/03/1081326903.db2.gz CYWSHBMUZJNJEP-CQSZACIVSA-N 1 0 403.483 0.595 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCNC(=O)N(C)C)c1 ZINC000499952171 1081327211 /nfs/dbraw/zinc/32/72/11/1081327211.db2.gz NWGRTTIXFJBLTI-UHFFFAOYSA-N 1 0 406.487 0.293 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000499964035 1081332890 /nfs/dbraw/zinc/33/28/90/1081332890.db2.gz DZQQUDIRWOPJIG-MRUHUIDDSA-N 1 0 405.543 0.724 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000499964488 1081333703 /nfs/dbraw/zinc/33/37/03/1081333703.db2.gz DZQQUDIRWOPJIG-VWKPWSFCSA-N 1 0 405.543 0.724 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000499964490 1081333786 /nfs/dbraw/zinc/33/37/86/1081333786.db2.gz DZQQUDIRWOPJIG-WHSLLNHNSA-N 1 0 405.543 0.724 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000499964491 1081333718 /nfs/dbraw/zinc/33/37/18/1081333718.db2.gz DZQQUDIRWOPJIG-ZOCZFRKYSA-N 1 0 405.543 0.724 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000499965050 1081333307 /nfs/dbraw/zinc/33/33/07/1081333307.db2.gz GYLARAGBPXFBQM-CALCHBBNSA-N 1 0 405.543 0.868 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000499965051 1081333343 /nfs/dbraw/zinc/33/33/43/1081333343.db2.gz GYLARAGBPXFBQM-IAGOWNOFSA-N 1 0 405.543 0.868 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000499965052 1081333328 /nfs/dbraw/zinc/33/33/28/1081333328.db2.gz GYLARAGBPXFBQM-IRXDYDNUSA-N 1 0 405.543 0.868 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000499965209 1081333361 /nfs/dbraw/zinc/33/33/61/1081333361.db2.gz SMHNEQTUZSGHJR-HDICACEKSA-N 1 0 412.600 0.595 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000499965211 1081333324 /nfs/dbraw/zinc/33/33/24/1081333324.db2.gz SMHNEQTUZSGHJR-QZTJIDSGSA-N 1 0 412.600 0.595 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000499965212 1081333269 /nfs/dbraw/zinc/33/32/69/1081333269.db2.gz SMHNEQTUZSGHJR-ROUUACIJSA-N 1 0 412.600 0.595 20 0 HCADRO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000499968236 1081336965 /nfs/dbraw/zinc/33/69/65/1081336965.db2.gz KPPMSCCRNHYHEC-AUUYWEPGSA-N 1 0 416.522 0.641 20 0 HCADRO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000499968237 1081336885 /nfs/dbraw/zinc/33/68/85/1081336885.db2.gz KPPMSCCRNHYHEC-IFXJQAMLSA-N 1 0 416.522 0.641 20 0 HCADRO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000499968238 1081337012 /nfs/dbraw/zinc/33/70/12/1081337012.db2.gz KPPMSCCRNHYHEC-KUHUBIRLSA-N 1 0 416.522 0.641 20 0 HCADRO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000499968239 1081336928 /nfs/dbraw/zinc/33/69/28/1081336928.db2.gz KPPMSCCRNHYHEC-LIRRHRJNSA-N 1 0 416.522 0.641 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000499975953 1081339029 /nfs/dbraw/zinc/33/90/29/1081339029.db2.gz QOEZXFWQSDEEFF-CALCHBBNSA-N 1 0 400.589 0.675 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000499975954 1081339018 /nfs/dbraw/zinc/33/90/18/1081339018.db2.gz QOEZXFWQSDEEFF-IAGOWNOFSA-N 1 0 400.589 0.675 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000499975955 1081339071 /nfs/dbraw/zinc/33/90/71/1081339071.db2.gz QOEZXFWQSDEEFF-IRXDYDNUSA-N 1 0 400.589 0.675 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000499984115 1081342840 /nfs/dbraw/zinc/34/28/40/1081342840.db2.gz ZVMNHHJMADDXLC-HOTGVXAUSA-N 1 0 401.515 0.147 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000499984116 1081342783 /nfs/dbraw/zinc/34/27/83/1081342783.db2.gz ZVMNHHJMADDXLC-HZPDHXFCSA-N 1 0 401.515 0.147 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000499984117 1081342709 /nfs/dbraw/zinc/34/27/09/1081342709.db2.gz 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ALTSGSIDMIDJLG-ZDUSSCGKSA-N 1 0 412.512 0.842 20 0 HCADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000506484856 1075667410 /nfs/dbraw/zinc/66/74/10/1075667410.db2.gz AQKMSCGMAALVGV-IBGZPJMESA-N 1 0 412.556 0.699 20 0 HCADRO COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCN1CCOC(C)(C)C1 ZINC000506525878 1075672518 /nfs/dbraw/zinc/67/25/18/1075672518.db2.gz SDKIKTDGBOGHRG-SFHVURJKSA-N 1 0 406.527 0.770 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000506659619 1075693648 /nfs/dbraw/zinc/69/36/48/1075693648.db2.gz FFOJUXCWLYIKKC-UHFFFAOYSA-N 1 0 410.540 0.647 20 0 HCADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000506704757 1075700766 /nfs/dbraw/zinc/70/07/66/1075700766.db2.gz ONQMQFFPSXPZNB-KRWDZBQOSA-N 1 0 410.540 0.612 20 0 HCADRO CN(C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1)S(C)(=O)=O ZINC000506716976 1075701847 /nfs/dbraw/zinc/70/18/47/1075701847.db2.gz FWSMUNIYHKDNRF-INIZCTEOSA-N 1 0 410.540 0.817 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccncc2Br)cn1 ZINC000507239923 1075771423 /nfs/dbraw/zinc/77/14/23/1075771423.db2.gz XHUDMUNDSVBHDK-UHFFFAOYSA-N 1 0 410.276 0.784 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CC1 ZINC000507500089 1075796776 /nfs/dbraw/zinc/79/67/76/1075796776.db2.gz WZCYZHICHYUBIE-UHFFFAOYSA-N 1 0 415.604 0.612 20 0 HCADRO O=C(C[NH+]1CCC(c2ccnn2CCO)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000507651340 1075805936 /nfs/dbraw/zinc/80/59/36/1075805936.db2.gz XJOORDWVSAJISX-UHFFFAOYSA-N 1 0 415.494 0.632 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)CC1 ZINC000507674203 1075807508 /nfs/dbraw/zinc/80/75/08/1075807508.db2.gz RQYCKMBEHBGLBW-FQEVSTJZSA-N 1 0 402.539 0.789 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)N[C@H](Cc2ccccc2)C(C)=O)CC1 ZINC000507674207 1075807526 /nfs/dbraw/zinc/80/75/26/1075807526.db2.gz RQYCKMBEHBGLBW-HXUWFJFHSA-N 1 0 402.539 0.789 20 0 HCADRO CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC000507687064 1075808910 /nfs/dbraw/zinc/80/89/10/1075808910.db2.gz ZZINKOFFIUKQOF-QGZVFWFLSA-N 1 0 410.559 0.663 20 0 HCADRO C[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CCN1C1CC[NH+](C)CC1 ZINC000507737267 1075815485 /nfs/dbraw/zinc/81/54/85/1075815485.db2.gz MRTWDRRNRHSKFX-XAUMDUMWSA-N 1 0 417.558 0.502 20 0 HCADRO COc1ccnc(N2CCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000507847350 1075825047 /nfs/dbraw/zinc/82/50/47/1075825047.db2.gz XKAVZGRVMRAKMP-MQVJKMGUSA-N 1 0 402.499 0.265 20 0 HCADRO Cn1nccc1[C@H]1[C@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCC(=O)N1C ZINC000507868368 1075827758 /nfs/dbraw/zinc/82/77/58/1075827758.db2.gz JCWLNMZZPCQWFK-VQIMIIECSA-N 1 0 406.531 0.570 20 0 HCADRO CCN1CCN(CC(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C(=O)C1=O ZINC000508004088 1075840240 /nfs/dbraw/zinc/84/02/40/1075840240.db2.gz WKKLOWDZZAKBAR-UHFFFAOYSA-N 1 0 415.494 0.094 20 0 HCADRO CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000508051606 1075842055 /nfs/dbraw/zinc/84/20/55/1075842055.db2.gz OMWFCCZGLKVTQH-UHFFFAOYSA-N 1 0 404.511 0.274 20 0 HCADRO CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000508163844 1075848526 /nfs/dbraw/zinc/84/85/26/1075848526.db2.gz YTSOTIHKWCKFKE-UHFFFAOYSA-N 1 0 412.531 0.542 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2C)CC1 ZINC000508345280 1075861112 /nfs/dbraw/zinc/86/11/12/1075861112.db2.gz DHVRSLLWXUQDNR-UHFFFAOYSA-N 1 0 420.510 0.618 20 0 HCADRO CC(C)Cn1ccnc1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000508777584 1075884986 /nfs/dbraw/zinc/88/49/86/1075884986.db2.gz IXXWTRJIWFMOOA-ROUUACIJSA-N 1 0 404.559 0.640 20 0 HCADRO CC(C)Cn1ccnc1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000508777585 1075885027 /nfs/dbraw/zinc/88/50/27/1075885027.db2.gz IXXWTRJIWFMOOA-ZWKOTPCHSA-N 1 0 404.559 0.640 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)CCn3c4ccccc4c(=O)[nH]c3=O)cn2)CC1 ZINC000508827881 1074596030 /nfs/dbraw/zinc/59/60/30/1074596030.db2.gz MPGQZFJQDYXASW-UHFFFAOYSA-N 1 0 422.489 0.955 20 0 HCADRO O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)c1cccn2c(=O)[nH]nc12 ZINC000508834782 1074649044 /nfs/dbraw/zinc/64/90/44/1074649044.db2.gz MLGKASXOVNZIOS-HOTGVXAUSA-N 1 0 406.446 0.764 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)CCNS(=O)(=O)c3ccccc3)cn2)CC1 ZINC000508837104 1074698282 /nfs/dbraw/zinc/69/82/82/1074698282.db2.gz IROWVMNLJVJMDJ-UHFFFAOYSA-N 1 0 417.535 0.818 20 0 HCADRO CCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000508838964 1074724952 /nfs/dbraw/zinc/72/49/52/1074724952.db2.gz QHDWLZHPYCTDAY-UHFFFAOYSA-N 1 0 413.496 0.266 20 0 HCADRO O=C(CN1CCN(CC(=O)NC2CC2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000508839213 1074714795 /nfs/dbraw/zinc/71/47/95/1074714795.db2.gz RJYVMGZMJIPEBX-UHFFFAOYSA-N 1 0 421.586 0.034 20 0 HCADRO C[C@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508849451 1075094774 /nfs/dbraw/zinc/09/47/74/1075094774.db2.gz BWWOFGIQZFFWMW-GHTZIAJQSA-N 1 0 417.554 0.864 20 0 HCADRO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508849453 1075094660 /nfs/dbraw/zinc/09/46/60/1075094660.db2.gz BWWOFGIQZFFWMW-NQIIRXRSSA-N 1 0 417.554 0.864 20 0 HCADRO C[C@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508849455 1075094740 /nfs/dbraw/zinc/09/47/40/1075094740.db2.gz BWWOFGIQZFFWMW-RXVVDRJESA-N 1 0 417.554 0.864 20 0 HCADRO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508849457 1075094689 /nfs/dbraw/zinc/09/46/89/1075094689.db2.gz BWWOFGIQZFFWMW-WIYYLYMNSA-N 1 0 417.554 0.864 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508860592 1075457673 /nfs/dbraw/zinc/45/76/73/1075457673.db2.gz FFLAYUFWFVRAPJ-FXAWDEMLSA-N 1 0 405.543 0.768 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508860593 1075457570 /nfs/dbraw/zinc/45/75/70/1075457570.db2.gz FFLAYUFWFVRAPJ-PXNSSMCTSA-N 1 0 405.543 0.768 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508860594 1075457487 /nfs/dbraw/zinc/45/74/87/1075457487.db2.gz FFLAYUFWFVRAPJ-XLIONFOSSA-N 1 0 405.543 0.768 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508860595 1075457702 /nfs/dbraw/zinc/45/77/02/1075457702.db2.gz FFLAYUFWFVRAPJ-YLJYHZDGSA-N 1 0 405.543 0.768 20 0 HCADRO C[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508865355 1075550546 /nfs/dbraw/zinc/55/05/46/1075550546.db2.gz OUXWCEJNTJLFBL-CRAIPNDOSA-N 1 0 401.511 0.810 20 0 HCADRO C[C@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508865357 1075550431 /nfs/dbraw/zinc/55/04/31/1075550431.db2.gz OUXWCEJNTJLFBL-MAUKXSAKSA-N 1 0 401.511 0.810 20 0 HCADRO C[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508865359 1075550461 /nfs/dbraw/zinc/55/04/61/1075550461.db2.gz OUXWCEJNTJLFBL-QAPCUYQASA-N 1 0 401.511 0.810 20 0 HCADRO C[C@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508865361 1075550483 /nfs/dbraw/zinc/55/04/83/1075550483.db2.gz OUXWCEJNTJLFBL-YJBOKZPZSA-N 1 0 401.511 0.810 20 0 HCADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[NH+](C)C ZINC000508884667 1077943753 /nfs/dbraw/zinc/94/37/53/1077943753.db2.gz ZMFWDDPEQPWJLB-APWZRJJASA-N 1 0 414.514 0.527 20 0 HCADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[NH+](C)C ZINC000508884668 1077943643 /nfs/dbraw/zinc/94/36/43/1077943643.db2.gz ZMFWDDPEQPWJLB-LPHOPBHVSA-N 1 0 414.514 0.527 20 0 HCADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[NH+](C)C ZINC000508884669 1077943883 /nfs/dbraw/zinc/94/38/83/1077943883.db2.gz ZMFWDDPEQPWJLB-QFBILLFUSA-N 1 0 414.514 0.527 20 0 HCADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[NH+](C)C ZINC000508884670 1077943958 /nfs/dbraw/zinc/94/39/58/1077943958.db2.gz ZMFWDDPEQPWJLB-VQIMIIECSA-N 1 0 414.514 0.527 20 0 HCADRO C[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508896352 1080311681 /nfs/dbraw/zinc/31/16/81/1080311681.db2.gz MJGJYDISLLOGGH-CRAIPNDOSA-N 1 0 400.487 0.218 20 0 HCADRO C[C@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508896353 1080311801 /nfs/dbraw/zinc/31/18/01/1080311801.db2.gz MJGJYDISLLOGGH-MAUKXSAKSA-N 1 0 400.487 0.218 20 0 HCADRO C[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508896354 1080311842 /nfs/dbraw/zinc/31/18/42/1080311842.db2.gz MJGJYDISLLOGGH-QAPCUYQASA-N 1 0 400.487 0.218 20 0 HCADRO C[C@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508896356 1080311573 /nfs/dbraw/zinc/31/15/73/1080311573.db2.gz MJGJYDISLLOGGH-YJBOKZPZSA-N 1 0 400.487 0.218 20 0 HCADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CCOc2ccccc2Br)C1 ZINC000508910279 1081263580 /nfs/dbraw/zinc/26/35/80/1081263580.db2.gz CEXGJTIHIUAGDE-CABCVRRESA-N 1 0 419.341 0.915 20 0 HCADRO O=S1(=O)C[C@H]([NH2+]CCOc2ccccc2Br)[C@@H](N2CCOCC2)C1 ZINC000508910281 1081263733 /nfs/dbraw/zinc/26/37/33/1081263733.db2.gz CEXGJTIHIUAGDE-GJZGRUSLSA-N 1 0 419.341 0.915 20 0 HCADRO O=S1(=O)C[C@@H]([NH2+]CCOc2ccccc2Br)[C@H](N2CCOCC2)C1 ZINC000508910283 1081263682 /nfs/dbraw/zinc/26/36/82/1081263682.db2.gz CEXGJTIHIUAGDE-HUUCEWRRSA-N 1 0 419.341 0.915 20 0 HCADRO O=S1(=O)C[C@H]([NH2+]CCOc2ccccc2Br)[C@H](N2CCOCC2)C1 ZINC000508910285 1081264018 /nfs/dbraw/zinc/26/40/18/1081264018.db2.gz CEXGJTIHIUAGDE-LSDHHAIUSA-N 1 0 419.341 0.915 20 0 HCADRO O=S1(=O)C[C@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)[C@@H](N2CCOCC2)C1 ZINC000508911037 1081265821 /nfs/dbraw/zinc/26/58/21/1081265821.db2.gz HRSRFEWITYOXDV-AABGKKOBSA-N 1 0 410.536 0.832 20 0 HCADRO O=S1(=O)C[C@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)[C@H](N2CCOCC2)C1 ZINC000508911040 1081265787 /nfs/dbraw/zinc/26/57/87/1081265787.db2.gz HRSRFEWITYOXDV-HSALFYBXSA-N 1 0 410.536 0.832 20 0 HCADRO O=S1(=O)C[C@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@H](N2CCOCC2)C1 ZINC000508911043 1081265688 /nfs/dbraw/zinc/26/56/88/1081265688.db2.gz HRSRFEWITYOXDV-SLFFLAALSA-N 1 0 410.536 0.832 20 0 HCADRO O=S1(=O)C[C@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@@H](N2CCOCC2)C1 ZINC000508911046 1081266041 /nfs/dbraw/zinc/26/60/41/1081266041.db2.gz HRSRFEWITYOXDV-UFYCRDLUSA-N 1 0 410.536 0.832 20 0 HCADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000508913080 1081272341 /nfs/dbraw/zinc/27/23/41/1081272341.db2.gz JVCPGBAGLZMXFM-HNNXBMFYSA-N 1 0 412.556 0.554 20 0 HCADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000508913081 1081272204 /nfs/dbraw/zinc/27/22/04/1081272204.db2.gz JVCPGBAGLZMXFM-OAHLLOKOSA-N 1 0 412.556 0.554 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)cn2)CC1 ZINC000508936192 1081296255 /nfs/dbraw/zinc/29/62/55/1081296255.db2.gz YVVLYFKSVYIIIP-UHFFFAOYSA-N 1 0 403.508 0.801 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000508939899 1081298683 /nfs/dbraw/zinc/29/86/83/1081298683.db2.gz BMKGYECHRJRRJL-ZDUSSCGKSA-N 1 0 400.476 0.663 20 0 HCADRO CCC[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)C(N)=O ZINC000508941560 1081302412 /nfs/dbraw/zinc/30/24/12/1081302412.db2.gz IMPNQGCFHRUEQC-INIZCTEOSA-N 1 0 403.483 0.173 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 ZINC000508942220 1081303857 /nfs/dbraw/zinc/30/38/57/1081303857.db2.gz MYHRNXOZQOZYKB-HNNXBMFYSA-N 1 0 401.471 0.908 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000508943400 1081305401 /nfs/dbraw/zinc/30/54/01/1081305401.db2.gz XWHKKYAHHLHEBP-KRWDZBQOSA-N 1 0 416.526 0.398 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000508944312 1081307054 /nfs/dbraw/zinc/30/70/54/1081307054.db2.gz XYQRMJBEZKCSEU-INIZCTEOSA-N 1 0 401.467 0.668 20 0 HCADRO CCC[C@H](NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(N)=O ZINC000508945242 1081310042 /nfs/dbraw/zinc/31/00/42/1081310042.db2.gz BZWFWKFSWCGCDM-SFHVURJKSA-N 1 0 401.511 0.927 20 0 HCADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000508946734 1081307857 /nfs/dbraw/zinc/30/78/57/1081307857.db2.gz BKADUZYRLOKSCX-UHFFFAOYSA-N 1 0 409.537 0.781 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000508947463 1081312794 /nfs/dbraw/zinc/31/27/94/1081312794.db2.gz CWFFRFJIPJDLMA-UHFFFAOYSA-N 1 0 408.462 0.565 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000508948210 1081311601 /nfs/dbraw/zinc/31/16/01/1081311601.db2.gz FOZKTAHKNFHNAT-UHFFFAOYSA-N 1 0 422.489 0.815 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000508952743 1081315962 /nfs/dbraw/zinc/31/59/62/1081315962.db2.gz SEJRKMUAQHMPKE-UHFFFAOYSA-N 1 0 422.489 0.955 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000508955102 1081319099 /nfs/dbraw/zinc/31/90/99/1081319099.db2.gz ZVSPVQHSHRBWSK-UHFFFAOYSA-N 1 0 411.462 0.608 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000508962590 1081329936 /nfs/dbraw/zinc/32/99/36/1081329936.db2.gz ACBRCQHZGVMGHD-INIZCTEOSA-N 1 0 403.483 0.173 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000508964470 1081331980 /nfs/dbraw/zinc/33/19/80/1081331980.db2.gz CXCXSCJBNVDYGL-KRWDZBQOSA-N 1 0 404.515 0.871 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000508964549 1081332094 /nfs/dbraw/zinc/33/20/94/1081332094.db2.gz DADKSCKWFROTPY-RDJZCZTQSA-N 1 0 400.479 0.821 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000508964554 1081332123 /nfs/dbraw/zinc/33/21/23/1081332123.db2.gz DADKSCKWFROTPY-WBVHZDCISA-N 1 0 400.479 0.821 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000508964861 1081332029 /nfs/dbraw/zinc/33/20/29/1081332029.db2.gz QXHNXJIEESPNMQ-UHFFFAOYSA-N 1 0 417.535 0.818 20 0 HCADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000508965841 1081335007 /nfs/dbraw/zinc/33/50/07/1081335007.db2.gz OAXSKFANYJPZTQ-UHFFFAOYSA-N 1 0 419.507 0.419 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC000508967473 1081334204 /nfs/dbraw/zinc/33/42/04/1081334204.db2.gz HZXVYEPPGZXNTK-INIZCTEOSA-N 1 0 404.467 0.519 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000508968880 1081334519 /nfs/dbraw/zinc/33/45/19/1081334519.db2.gz LPBLNVMPBGCDMA-HNNXBMFYSA-N 1 0 423.539 0.795 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 ZINC000508970554 1081336202 /nfs/dbraw/zinc/33/62/02/1081336202.db2.gz QQEUSMZUHOQALX-INIZCTEOSA-N 1 0 403.483 0.092 20 0 HCADRO Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000508972210 1081339111 /nfs/dbraw/zinc/33/91/11/1081339111.db2.gz LMYLJYYIAJICGN-UHFFFAOYSA-N 1 0 417.558 0.870 20 0 HCADRO CN(CCN1CCOCC1)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C ZINC000508973667 1081339451 /nfs/dbraw/zinc/33/94/51/1081339451.db2.gz VWDVSVAGLMALAD-UHFFFAOYSA-N 1 0 413.570 0.948 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000508974163 1081338661 /nfs/dbraw/zinc/33/86/61/1081338661.db2.gz BHBULIZRJGLXFE-INIZCTEOSA-N 1 0 414.514 0.788 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000508974196 1081338622 /nfs/dbraw/zinc/33/86/22/1081338622.db2.gz BMTHITDGZNQNSJ-SFHVURJKSA-N 1 0 422.551 0.851 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000508975155 1081339976 /nfs/dbraw/zinc/33/99/76/1081339976.db2.gz GFYURXJKWJGNFA-AWEZNQCLSA-N 1 0 408.524 0.938 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3csc(S(N)(=O)=O)c3)cn2)CC1 ZINC000508976848 1081340002 /nfs/dbraw/zinc/34/00/02/1081340002.db2.gz KHUPXAXALHVSSY-UHFFFAOYSA-N 1 0 409.537 0.862 20 0 HCADRO CNS(=O)(=O)c1ccc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000508978853 1081340732 /nfs/dbraw/zinc/34/07/32/1081340732.db2.gz RDIIRCLJHDOMJE-UHFFFAOYSA-N 1 0 403.508 0.672 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000508984022 1081346529 /nfs/dbraw/zinc/34/65/29/1081346529.db2.gz ZAYHVKGMPUKXCA-INIZCTEOSA-N 1 0 402.451 0.506 20 0 HCADRO CCC[C@H](NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC)C(N)=O ZINC000508984619 1081344115 /nfs/dbraw/zinc/34/41/15/1081344115.db2.gz XNXUBGROPYIBTH-INIZCTEOSA-N 1 0 405.499 0.546 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(OC)c1 ZINC000508988731 1081346789 /nfs/dbraw/zinc/34/67/89/1081346789.db2.gz UHZJAEFJRQPOJL-AWEZNQCLSA-N 1 0 412.512 0.996 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)o1 ZINC000508990599 1081347289 /nfs/dbraw/zinc/34/72/89/1081347289.db2.gz LGOPTAKVKXPJDO-UHFFFAOYSA-N 1 0 407.496 0.607 20 0 HCADRO CCC[C@H](NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)C(N)=O ZINC000508995126 1081349698 /nfs/dbraw/zinc/34/96/98/1081349698.db2.gz GGDISIPTBAOKGO-KRWDZBQOSA-N 1 0 405.499 0.022 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 ZINC000508997049 1081350114 /nfs/dbraw/zinc/35/01/14/1081350114.db2.gz ORSFHALBQOUZLL-INIZCTEOSA-N 1 0 422.551 0.865 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000508998500 1081350365 /nfs/dbraw/zinc/35/03/65/1081350365.db2.gz RGBWMJSFGNMXJU-INIZCTEOSA-N 1 0 422.551 0.933 20 0 HCADRO CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1)C(N)=O ZINC000509001014 1081351872 /nfs/dbraw/zinc/35/18/72/1081351872.db2.gz QMDAGRZNNVVXPR-UHFFFAOYSA-N 1 0 417.510 0.305 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 ZINC000509003434 1081351200 /nfs/dbraw/zinc/35/12/00/1081351200.db2.gz CCTMYYWCPDLUBB-HNNXBMFYSA-N 1 0 408.524 0.474 20 0 HCADRO CCC[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)C(N)=O ZINC000509003792 1081351174 /nfs/dbraw/zinc/35/11/74/1081351174.db2.gz CSAMVFCAKGATMA-INIZCTEOSA-N 1 0 403.483 0.093 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 ZINC000509005702 1081353823 /nfs/dbraw/zinc/35/38/23/1081353823.db2.gz VKBXWLLPZZXMBR-AWEZNQCLSA-N 1 0 412.512 0.996 20 0 HCADRO CCC[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)C(N)=O ZINC000509006469 1081352713 /nfs/dbraw/zinc/35/27/13/1081352713.db2.gz YPKWUMHIQWPBPJ-IRXDYDNUSA-N 1 0 417.510 0.562 20 0 HCADRO CCC[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)C(N)=O ZINC000509006478 1081352612 /nfs/dbraw/zinc/35/26/12/1081352612.db2.gz YPKWUMHIQWPBPJ-SJORKVTESA-N 1 0 417.510 0.562 20 0 HCADRO CCOC(=O)CNC(=O)C1CC[NH+](CCc2c(C)nc3sccn3c2=O)CC1 ZINC000509008389 1075891724 /nfs/dbraw/zinc/89/17/24/1075891724.db2.gz WXCAMKYSZUNQAN-UHFFFAOYSA-N 1 0 406.508 0.998 20 0 HCADRO CCOC(=O)CNC(=O)[C@@H]1COCCN1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509008548 1081353857 /nfs/dbraw/zinc/35/38/57/1081353857.db2.gz YFTHGXYFEDWDNM-FQEVSTJZSA-N 1 0 418.538 0.579 20 0 HCADRO CCOC(=O)CNC(=O)[C@H]1COCCN1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509008549 1081354010 /nfs/dbraw/zinc/35/40/10/1081354010.db2.gz YFTHGXYFEDWDNM-HXUWFJFHSA-N 1 0 418.538 0.579 20 0 HCADRO C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C[C@@H]1O ZINC000509020447 1081358694 /nfs/dbraw/zinc/35/86/94/1081358694.db2.gz BHQMGKUENDKAOI-JXFKEZNVSA-N 1 0 417.531 0.985 20 0 HCADRO C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C[C@H]1O ZINC000509020448 1081358573 /nfs/dbraw/zinc/35/85/73/1081358573.db2.gz BHQMGKUENDKAOI-OXJNMPFZSA-N 1 0 417.531 0.985 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)N(C)c2ccccc2C(=O)OC)CC1 ZINC000509048404 1081368183 /nfs/dbraw/zinc/36/81/83/1081368183.db2.gz NDFUQKGPVBLXHK-UHFFFAOYSA-N 1 0 404.511 0.922 20 0 HCADRO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](O)C2)c(=O)[nH]c1=O ZINC000509049965 1081368292 /nfs/dbraw/zinc/36/82/92/1081368292.db2.gz UPFWAAYSQIISRK-HZSPNIEDSA-N 1 0 411.503 0.012 20 0 HCADRO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@H+]2C[C@H](O)[C@@H](C)C2)c(=O)[nH]c1=O ZINC000509049967 1081368309 /nfs/dbraw/zinc/36/83/09/1081368309.db2.gz UPFWAAYSQIISRK-IHRRRGAJSA-N 1 0 411.503 0.012 20 0 HCADRO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](O)C2)c(=O)[nH]c1=O ZINC000509049969 1081368416 /nfs/dbraw/zinc/36/84/16/1081368416.db2.gz UPFWAAYSQIISRK-MELADBBJSA-N 1 0 411.503 0.012 20 0 HCADRO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000509049972 1081368204 /nfs/dbraw/zinc/36/82/04/1081368204.db2.gz UPFWAAYSQIISRK-RDBSUJKOSA-N 1 0 411.503 0.012 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000509065324 1081375434 /nfs/dbraw/zinc/37/54/34/1081375434.db2.gz BSJXSBSPBBSQOZ-GOSISDBHSA-N 1 0 408.568 0.793 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000509065329 1081375445 /nfs/dbraw/zinc/37/54/45/1081375445.db2.gz BSJXSBSPBBSQOZ-SFHVURJKSA-N 1 0 408.568 0.793 20 0 HCADRO CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000509069795 1081377650 /nfs/dbraw/zinc/37/76/50/1081377650.db2.gz QHIZEPAVDRAQJB-UHFFFAOYSA-N 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AGLSEERGSVPVEH-INIZCTEOSA-N 1 0 401.504 0.799 20 0 HCADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000533974378 1074431716 /nfs/dbraw/zinc/43/17/16/1074431716.db2.gz AGLSEERGSVPVEH-MRXNPFEDSA-N 1 0 401.504 0.799 20 0 HCADRO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)cc1 ZINC000533978368 1074474506 /nfs/dbraw/zinc/47/45/06/1074474506.db2.gz PTCWMEWDVOXNKF-INIZCTEOSA-N 1 0 413.540 0.669 20 0 HCADRO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+]([C@H](CC)CO)CC2)cc1 ZINC000533978369 1074474475 /nfs/dbraw/zinc/47/44/75/1074474475.db2.gz PTCWMEWDVOXNKF-MRXNPFEDSA-N 1 0 413.540 0.669 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000533978653 1074476815 /nfs/dbraw/zinc/47/68/15/1074476815.db2.gz FJUCTPGALAWFOF-UHFFFAOYSA-N 1 0 418.590 0.314 20 0 HCADRO CC(C)C[C@H](NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)NCC[NH+](C)C ZINC000533978932 1074475788 /nfs/dbraw/zinc/47/57/88/1074475788.db2.gz DGQFHTPEHYTKAY-OLZOCXBDSA-N 1 0 409.453 0.541 20 0 HCADRO CC(C)C[C@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)NCC[NH+](C)C ZINC000533978933 1074475630 /nfs/dbraw/zinc/47/56/30/1074475630.db2.gz DGQFHTPEHYTKAY-STQMWFEESA-N 1 0 409.453 0.541 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000533979001 1074479484 /nfs/dbraw/zinc/47/94/84/1074479484.db2.gz KYVVYSHGQIDLMK-UHFFFAOYSA-N 1 0 403.531 0.038 20 0 HCADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000533979170 1074482696 /nfs/dbraw/zinc/48/26/96/1074482696.db2.gz OMEGSUCOYRZDSJ-GOSISDBHSA-N 1 0 403.527 0.426 20 0 HCADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000533979171 1074482573 /nfs/dbraw/zinc/48/25/73/1074482573.db2.gz OMEGSUCOYRZDSJ-SFHVURJKSA-N 1 0 403.527 0.426 20 0 HCADRO Cn1cc(C(=O)NCC2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)CC2)cn1 ZINC000533979518 1074483448 /nfs/dbraw/zinc/48/34/48/1074483448.db2.gz VMQHLLPBPTVDGD-UHFFFAOYSA-N 1 0 419.574 0.598 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000533979541 1074483381 /nfs/dbraw/zinc/48/33/81/1074483381.db2.gz WGGPUAYXZWDWPY-UHFFFAOYSA-N 1 0 412.556 0.794 20 0 HCADRO C[C@H]1C(=O)Nc2cc(C(=O)NCCCC[NH+]3CCN(CCO)CC3)ccc2N1C ZINC000533980007 1074486211 /nfs/dbraw/zinc/48/62/11/1074486211.db2.gz MZGAYJWFBZURGD-INIZCTEOSA-N 1 0 403.527 0.583 20 0 HCADRO C[C@@H]1C(=O)Nc2cc(C(=O)NCCCC[NH+]3CCN(CCO)CC3)ccc2N1C ZINC000533980008 1074486321 /nfs/dbraw/zinc/48/63/21/1074486321.db2.gz MZGAYJWFBZURGD-MRXNPFEDSA-N 1 0 403.527 0.583 20 0 HCADRO CCCS(=O)(=O)NC1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000533980541 1074490426 /nfs/dbraw/zinc/49/04/26/1074490426.db2.gz UKJXDUCZTMYUIW-UHFFFAOYSA-N 1 0 403.593 0.516 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000533980684 1074489601 /nfs/dbraw/zinc/48/96/01/1074489601.db2.gz LUIMXMOOCIPWDP-UHFFFAOYSA-N 1 0 423.583 0.729 20 0 HCADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)CC1 ZINC000533981512 1074492025 /nfs/dbraw/zinc/49/20/25/1074492025.db2.gz AVYIKOVKWIUPAY-AOMKIAJQSA-N 1 0 414.506 0.901 20 0 HCADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)CC1 ZINC000533981513 1074491956 /nfs/dbraw/zinc/49/19/56/1074491956.db2.gz AVYIKOVKWIUPAY-KSFYIVLOSA-N 1 0 414.506 0.901 20 0 HCADRO CC[C@H](CO)[NH+]1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)CC1 ZINC000533981514 1074491925 /nfs/dbraw/zinc/49/19/25/1074491925.db2.gz AVYIKOVKWIUPAY-OPAMFIHVSA-N 1 0 414.506 0.901 20 0 HCADRO CC[C@H](CO)[NH+]1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)CC1 ZINC000533981515 1074492034 /nfs/dbraw/zinc/49/20/34/1074492034.db2.gz AVYIKOVKWIUPAY-ZHRRBRCNSA-N 1 0 414.506 0.901 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000533981888 1074500947 /nfs/dbraw/zinc/50/09/47/1074500947.db2.gz IWPIVOFCSSPBNQ-GOSISDBHSA-N 1 0 417.554 0.992 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000533981889 1074501038 /nfs/dbraw/zinc/50/10/38/1074501038.db2.gz IWPIVOFCSSPBNQ-SFHVURJKSA-N 1 0 417.554 0.992 20 0 HCADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000533981924 1074500844 /nfs/dbraw/zinc/50/08/44/1074500844.db2.gz JZVKTBYYIWVBCD-KRWDZBQOSA-N 1 0 411.524 0.473 20 0 HCADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000533981936 1074491121 /nfs/dbraw/zinc/49/11/21/1074491121.db2.gz JZVKTBYYIWVBCD-QGZVFWFLSA-N 1 0 411.524 0.473 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000533982141 1074503806 /nfs/dbraw/zinc/50/38/06/1074503806.db2.gz NGHHMJRUBKHCCO-UHFFFAOYSA-N 1 0 402.543 0.643 20 0 HCADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000533982498 1074504906 /nfs/dbraw/zinc/50/49/06/1074504906.db2.gz SQESFWZVMAIOSJ-UHFFFAOYSA-N 1 0 411.572 0.762 20 0 HCADRO O=C(CNC(=O)c1cc2c(s1)CCCC2)NCCCC[NH+]1CCN(CCO)CC1 ZINC000533982519 1074504980 /nfs/dbraw/zinc/50/49/80/1074504980.db2.gz UFYSTDSDHHLKFO-UHFFFAOYSA-N 1 0 422.595 0.863 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000533989786 1074537068 /nfs/dbraw/zinc/53/70/68/1074537068.db2.gz BMAQJTIQTIEOES-UHFFFAOYSA-N 1 0 423.579 0.836 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C2=O)n(C)n1 ZINC000533993287 1074538026 /nfs/dbraw/zinc/53/80/26/1074538026.db2.gz TZLRBQGMPCUQRX-CVEARBPZSA-N 1 0 421.546 0.226 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C2=O)n(C)n1 ZINC000533993288 1074538063 /nfs/dbraw/zinc/53/80/63/1074538063.db2.gz TZLRBQGMPCUQRX-HOTGVXAUSA-N 1 0 421.546 0.226 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000533993644 1074537923 /nfs/dbraw/zinc/53/79/23/1074537923.db2.gz AJAUFVXPWUSJLF-UHFFFAOYSA-N 1 0 409.961 0.985 20 0 HCADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000534020241 1074538832 /nfs/dbraw/zinc/53/88/32/1074538832.db2.gz UFMZREFUKOXUNJ-APWZRJJASA-N 1 0 411.524 0.704 20 0 HCADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000534020259 1074538983 /nfs/dbraw/zinc/53/89/83/1074538983.db2.gz UFMZREFUKOXUNJ-LPHOPBHVSA-N 1 0 411.524 0.704 20 0 HCADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000534020261 1074539000 /nfs/dbraw/zinc/53/90/00/1074539000.db2.gz UFMZREFUKOXUNJ-QFBILLFUSA-N 1 0 411.524 0.704 20 0 HCADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000534020264 1074538780 /nfs/dbraw/zinc/53/87/80/1074538780.db2.gz UFMZREFUKOXUNJ-VQIMIIECSA-N 1 0 411.524 0.704 20 0 HCADRO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@@H]1c1ccccc1 ZINC000534021925 1074539475 /nfs/dbraw/zinc/53/94/75/1074539475.db2.gz PJUQZPZIWOSAJJ-DFEOGRTESA-N 1 0 405.520 0.584 20 0 HCADRO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@H]1c1ccccc1 ZINC000534021926 1074539515 /nfs/dbraw/zinc/53/95/15/1074539515.db2.gz PJUQZPZIWOSAJJ-VUHPKUFZSA-N 1 0 405.520 0.584 20 0 HCADRO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@H]1c1ccccc1 ZINC000534021927 1074539395 /nfs/dbraw/zinc/53/93/95/1074539395.db2.gz PJUQZPZIWOSAJJ-VXIBKDFQSA-N 1 0 405.520 0.584 20 0 HCADRO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@@H]1c1ccccc1 ZINC000534021928 1074539447 /nfs/dbraw/zinc/53/94/47/1074539447.db2.gz PJUQZPZIWOSAJJ-VXNCWWDNSA-N 1 0 405.520 0.584 20 0 HCADRO CCn1c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc2[nH]c(=O)c1=O ZINC000534050535 1074544422 /nfs/dbraw/zinc/54/44/22/1074544422.db2.gz ORHPTSLTNGAPQC-INIZCTEOSA-N 1 0 417.510 0.532 20 0 HCADRO CC(C)C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)C(=O)NCC[NH+](C)C ZINC000534050626 1074544542 /nfs/dbraw/zinc/54/45/42/1074544542.db2.gz LILKNWSYGBJKPC-CKJXQJPGSA-N 1 0 423.558 0.696 20 0 HCADRO CC(C)C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)C(=O)NCC[NH+](C)C ZINC000534050629 1074544557 /nfs/dbraw/zinc/54/45/57/1074544557.db2.gz LILKNWSYGBJKPC-QYWGDWMGSA-N 1 0 423.558 0.696 20 0 HCADRO CC(C)C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)C(=O)NCC[NH+](C)C ZINC000534050630 1074544573 /nfs/dbraw/zinc/54/45/73/1074544573.db2.gz LILKNWSYGBJKPC-VWKPWSFCSA-N 1 0 423.558 0.696 20 0 HCADRO CC(C)C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)C(=O)NCC[NH+](C)C ZINC000534050631 1074544380 /nfs/dbraw/zinc/54/43/80/1074544380.db2.gz LILKNWSYGBJKPC-XFQAVAEZSA-N 1 0 423.558 0.696 20 0 HCADRO CC(C)C[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC[NH+](C)C ZINC000534050818 1074544401 /nfs/dbraw/zinc/54/44/01/1074544401.db2.gz MLPIYBYUCDRUCS-HNNXBMFYSA-N 1 0 409.531 0.450 20 0 HCADRO CC(C)C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)NCC[NH+](C)C ZINC000534050957 1074544449 /nfs/dbraw/zinc/54/44/49/1074544449.db2.gz VHRGOKQWIGGURP-SFHVURJKSA-N 1 0 401.511 0.995 20 0 HCADRO CC(C)C[C@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)NCC[NH+](C)C ZINC000534050990 1074544581 /nfs/dbraw/zinc/54/45/81/1074544581.db2.gz VYXKBBZEGYIHFH-AWEZNQCLSA-N 1 0 402.517 0.352 20 0 HCADRO CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1cccs1)C(=O)NCC[NH+](C)C ZINC000534051101 1074544980 /nfs/dbraw/zinc/54/49/80/1074544980.db2.gz NPCAMYPBMHMBSU-ZDUSSCGKSA-N 1 0 404.558 0.235 20 0 HCADRO CC(C)C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)C(=O)NCC[NH+](C)C ZINC000534051355 1074544877 /nfs/dbraw/zinc/54/48/77/1074544877.db2.gz KIYQMFIKAGPIFA-KRWDZBQOSA-N 1 0 412.556 0.516 20 0 HCADRO CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)NCC[NH+](C)C ZINC000534052068 1074545016 /nfs/dbraw/zinc/54/50/16/1074545016.db2.gz GHHGAWDRMJIWNR-SFHVURJKSA-N 1 0 424.567 0.950 20 0 HCADRO CC(C)C[C@H](NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)C(=O)NCC[NH+](C)C ZINC000534052520 1074544939 /nfs/dbraw/zinc/54/49/39/1074544939.db2.gz MCDKJWZMCVTVRP-INIZCTEOSA-N 1 0 414.510 0.794 20 0 HCADRO COc1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)sc1S(N)(=O)=O ZINC000534053202 1074545387 /nfs/dbraw/zinc/54/53/87/1074545387.db2.gz SSQHAQVGCAZASE-NSHDSACASA-N 1 0 420.557 0.226 20 0 HCADRO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C2=O ZINC000534053438 1074545402 /nfs/dbraw/zinc/54/54/02/1074545402.db2.gz XCGCJRLNBDTYIO-KRWDZBQOSA-N 1 0 402.495 0.800 20 0 HCADRO CC(C)C[C@H](NC(=O)Cn1cc(C(N)=O)c2ccccc21)C(=O)NCC[NH+](C)C ZINC000534053650 1074545511 /nfs/dbraw/zinc/54/55/11/1074545511.db2.gz YKAQFPXEDCUFLB-KRWDZBQOSA-N 1 0 401.511 0.949 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1 ZINC000534067178 1074546726 /nfs/dbraw/zinc/54/67/26/1074546726.db2.gz JEJYRMLFUKKXNK-UHFFFAOYSA-N 1 0 411.524 0.956 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1 ZINC000534067410 1074547533 /nfs/dbraw/zinc/54/75/33/1074547533.db2.gz PIXSQOHKKJIOIC-UHFFFAOYSA-N 1 0 415.512 0.843 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)c(C)o1 ZINC000534068711 1074547431 /nfs/dbraw/zinc/54/74/31/1074547431.db2.gz GGECLZTVPPCNRD-UHFFFAOYSA-N 1 0 401.485 0.501 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000534069137 1074547333 /nfs/dbraw/zinc/54/73/33/1074547333.db2.gz GYFDMDHNORZEJL-UHFFFAOYSA-N 1 0 416.478 0.743 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 ZINC000534069261 1074548177 /nfs/dbraw/zinc/54/81/77/1074548177.db2.gz FNHYTVHVHOFEQN-UHFFFAOYSA-N 1 0 411.524 0.698 20 0 HCADRO C[NH+](C)CCCNC(=O)CSc1nnc(N2CCOCC2)n1CC(F)(F)F ZINC000534069420 1074547416 /nfs/dbraw/zinc/54/74/16/1074547416.db2.gz ZWWMWSSJLGPGBA-UHFFFAOYSA-N 1 0 410.466 0.837 20 0 HCADRO Cc1nc2ccnn2c(C)c1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000534081847 1074546421 /nfs/dbraw/zinc/54/64/21/1074546421.db2.gz OMKUDPHNOBHZHG-UHFFFAOYSA-N 1 0 422.493 0.935 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000534091807 1074549838 /nfs/dbraw/zinc/54/98/38/1074549838.db2.gz RBHHCMCXAKYIPG-CVEARBPZSA-N 1 0 401.554 0.729 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000534091808 1074550097 /nfs/dbraw/zinc/55/00/97/1074550097.db2.gz RBHHCMCXAKYIPG-HOTGVXAUSA-N 1 0 401.554 0.729 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000534091809 1074549934 /nfs/dbraw/zinc/54/99/34/1074549934.db2.gz RBHHCMCXAKYIPG-HZPDHXFCSA-N 1 0 401.554 0.729 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000534091810 1074549888 /nfs/dbraw/zinc/54/98/88/1074549888.db2.gz RBHHCMCXAKYIPG-JKSUJKDBSA-N 1 0 401.554 0.729 20 0 HCADRO CS[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@@H]1[NH+](C)C ZINC000534094918 1074551245 /nfs/dbraw/zinc/55/12/45/1074551245.db2.gz KCLWMHBXAVGZBG-DLBZAZTESA-N 1 0 412.581 0.986 20 0 HCADRO CS[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@H]1[NH+](C)C ZINC000534094919 1074551108 /nfs/dbraw/zinc/55/11/08/1074551108.db2.gz KCLWMHBXAVGZBG-IAGOWNOFSA-N 1 0 412.581 0.986 20 0 HCADRO CS[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@@H]1[NH+](C)C ZINC000534094920 1074551259 /nfs/dbraw/zinc/55/12/59/1074551259.db2.gz KCLWMHBXAVGZBG-IRXDYDNUSA-N 1 0 412.581 0.986 20 0 HCADRO CS[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@H]1[NH+](C)C ZINC000534094921 1074551124 /nfs/dbraw/zinc/55/11/24/1074551124.db2.gz KCLWMHBXAVGZBG-SJORKVTESA-N 1 0 412.581 0.986 20 0 HCADRO CS[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C[C@H]1[NH+](C)C ZINC000534095212 1074551715 /nfs/dbraw/zinc/55/17/15/1074551715.db2.gz RNVAKVUBVBUMPH-CHWSQXEVSA-N 1 0 419.594 0.887 20 0 HCADRO CS[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C[C@H]1[NH+](C)C ZINC000534095213 1074551872 /nfs/dbraw/zinc/55/18/72/1074551872.db2.gz RNVAKVUBVBUMPH-OLZOCXBDSA-N 1 0 419.594 0.887 20 0 HCADRO CS[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C[C@@H]1[NH+](C)C ZINC000534095214 1074551942 /nfs/dbraw/zinc/55/19/42/1074551942.db2.gz RNVAKVUBVBUMPH-QWHCGFSZSA-N 1 0 419.594 0.887 20 0 HCADRO CS[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C[C@@H]1[NH+](C)C ZINC000534095215 1074551565 /nfs/dbraw/zinc/55/15/65/1074551565.db2.gz RNVAKVUBVBUMPH-STQMWFEESA-N 1 0 419.594 0.887 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)Cc1ccccc1 ZINC000534095911 1074551796 /nfs/dbraw/zinc/55/17/96/1074551796.db2.gz ADIUICISYUCNQN-HNNXBMFYSA-N 1 0 408.462 0.889 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)Cc1ccccc1 ZINC000534095912 1074551619 /nfs/dbraw/zinc/55/16/19/1074551619.db2.gz ADIUICISYUCNQN-OAHLLOKOSA-N 1 0 408.462 0.889 20 0 HCADRO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)cc21 ZINC000534096048 1074551980 /nfs/dbraw/zinc/55/19/80/1074551980.db2.gz AORZFWKLDPHCND-UHFFFAOYSA-N 1 0 414.466 0.171 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000534096174 1074552452 /nfs/dbraw/zinc/55/24/52/1074552452.db2.gz FIXOVMHPDIUORU-CYBMUJFWSA-N 1 0 402.455 0.170 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000534096175 1074552322 /nfs/dbraw/zinc/55/23/22/1074552322.db2.gz FIXOVMHPDIUORU-ZDUSSCGKSA-N 1 0 402.455 0.170 20 0 HCADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000534096355 1074552579 /nfs/dbraw/zinc/55/25/79/1074552579.db2.gz CCCWFDYCGNTOFA-UHFFFAOYSA-N 1 0 402.455 0.217 20 0 HCADRO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000534097701 1074552959 /nfs/dbraw/zinc/55/29/59/1074552959.db2.gz BZCRKZZIWRSPIL-UHFFFAOYSA-N 1 0 414.466 0.037 20 0 HCADRO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)cc21 ZINC000534098417 1074554149 /nfs/dbraw/zinc/55/41/49/1074554149.db2.gz LDYCDZYJEXPWIC-UHFFFAOYSA-N 1 0 414.466 0.362 20 0 HCADRO COC(=O)c1cc(I)cc(NC(=O)C(=O)NCC[NH+](C)C)c1 ZINC000534098740 1074553431 /nfs/dbraw/zinc/55/34/31/1074553431.db2.gz NGSMPXJJQOJLKU-UHFFFAOYSA-N 1 0 419.219 0.694 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000534098776 1074553627 /nfs/dbraw/zinc/55/36/27/1074553627.db2.gz PNEIZXOXKHGNGI-UHFFFAOYSA-N 1 0 416.482 0.606 20 0 HCADRO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000534099403 1074554437 /nfs/dbraw/zinc/55/44/37/1074554437.db2.gz WGOMRHNOYBZGKC-UHFFFAOYSA-N 1 0 419.913 0.658 20 0 HCADRO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000534099413 1074554484 /nfs/dbraw/zinc/55/44/84/1074554484.db2.gz WVYJZLBDEFGZJC-UHFFFAOYSA-N 1 0 405.886 0.663 20 0 HCADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1OC ZINC000534099447 1074554534 /nfs/dbraw/zinc/55/45/34/1074554534.db2.gz NRBHJNGTSZSCSS-CYBMUJFWSA-N 1 0 404.467 0.725 20 0 HCADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1OC ZINC000534099455 1074554423 /nfs/dbraw/zinc/55/44/23/1074554423.db2.gz NRBHJNGTSZSCSS-ZDUSSCGKSA-N 1 0 404.467 0.725 20 0 HCADRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O)c1ccc2c(c1)OCCO2 ZINC000534100384 1074555478 /nfs/dbraw/zinc/55/54/78/1074555478.db2.gz IQCHIHSSSGAETJ-CHWSQXEVSA-N 1 0 402.451 0.698 20 0 HCADRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O)c1ccc2c(c1)OCCO2 ZINC000534100385 1074555455 /nfs/dbraw/zinc/55/54/55/1074555455.db2.gz IQCHIHSSSGAETJ-OLZOCXBDSA-N 1 0 402.451 0.698 20 0 HCADRO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534100386 1074555470 /nfs/dbraw/zinc/55/54/70/1074555470.db2.gz IQCHIHSSSGAETJ-QWHCGFSZSA-N 1 0 402.451 0.698 20 0 HCADRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O)c1ccc2c(c1)OCCO2 ZINC000534100387 1074555509 /nfs/dbraw/zinc/55/55/09/1074555509.db2.gz IQCHIHSSSGAETJ-STQMWFEESA-N 1 0 402.451 0.698 20 0 HCADRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534100482 1074554873 /nfs/dbraw/zinc/55/48/73/1074554873.db2.gz MLCJFECQVLTPIP-UHFFFAOYSA-N 1 0 402.451 0.480 20 0 HCADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000534101026 1074554943 /nfs/dbraw/zinc/55/49/43/1074554943.db2.gz YRFCRMVHJDYECA-UHFFFAOYSA-N 1 0 413.522 0.703 20 0 HCADRO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534104573 1074548683 /nfs/dbraw/zinc/54/86/83/1074548683.db2.gz NPWBRBXDNPULHL-DLBZAZTESA-N 1 0 408.458 0.854 20 0 HCADRO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534104576 1074548506 /nfs/dbraw/zinc/54/85/06/1074548506.db2.gz NPWBRBXDNPULHL-IAGOWNOFSA-N 1 0 408.458 0.854 20 0 HCADRO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534104579 1074548715 /nfs/dbraw/zinc/54/87/15/1074548715.db2.gz NPWBRBXDNPULHL-IRXDYDNUSA-N 1 0 408.458 0.854 20 0 HCADRO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534104580 1074548818 /nfs/dbraw/zinc/54/88/18/1074548818.db2.gz NPWBRBXDNPULHL-SJORKVTESA-N 1 0 408.458 0.854 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)co1 ZINC000534104909 1074557816 /nfs/dbraw/zinc/55/78/16/1074557816.db2.gz BDSRKHDCTKGPKG-DLBZAZTESA-N 1 0 407.492 0.895 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)co1 ZINC000534104910 1074557771 /nfs/dbraw/zinc/55/77/71/1074557771.db2.gz BDSRKHDCTKGPKG-IAGOWNOFSA-N 1 0 407.492 0.895 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)co1 ZINC000534104911 1074557944 /nfs/dbraw/zinc/55/79/44/1074557944.db2.gz BDSRKHDCTKGPKG-IRXDYDNUSA-N 1 0 407.492 0.895 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)co1 ZINC000534104912 1074558066 /nfs/dbraw/zinc/55/80/66/1074558066.db2.gz BDSRKHDCTKGPKG-SJORKVTESA-N 1 0 407.492 0.895 20 0 HCADRO NS(=O)(=O)Cc1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534105120 1074566071 /nfs/dbraw/zinc/56/60/71/1074566071.db2.gz YBFUDVQYMCZONA-MOPGFXCFSA-N 1 0 403.504 0.840 20 0 HCADRO NS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534105122 1074565557 /nfs/dbraw/zinc/56/55/57/1074565557.db2.gz YBFUDVQYMCZONA-OALUTQOASA-N 1 0 403.504 0.840 20 0 HCADRO NS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534105124 1074566528 /nfs/dbraw/zinc/56/65/28/1074566528.db2.gz YBFUDVQYMCZONA-RBUKOAKNSA-N 1 0 403.504 0.840 20 0 HCADRO NS(=O)(=O)Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534105126 1074566592 /nfs/dbraw/zinc/56/65/92/1074566592.db2.gz YBFUDVQYMCZONA-RTBURBONSA-N 1 0 403.504 0.840 20 0 HCADRO CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534105429 1074565835 /nfs/dbraw/zinc/56/58/35/1074565835.db2.gz GYUXRHSBIGLZFG-MSOLQXFVSA-N 1 0 413.540 0.082 20 0 HCADRO CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534105430 1074565790 /nfs/dbraw/zinc/56/57/90/1074565790.db2.gz GYUXRHSBIGLZFG-QZTJIDSGSA-N 1 0 413.540 0.082 20 0 HCADRO CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534105431 1074565998 /nfs/dbraw/zinc/56/59/98/1074565998.db2.gz GYUXRHSBIGLZFG-ROUUACIJSA-N 1 0 413.540 0.082 20 0 HCADRO CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534105433 1074565643 /nfs/dbraw/zinc/56/56/43/1074565643.db2.gz GYUXRHSBIGLZFG-ZWKOTPCHSA-N 1 0 413.540 0.082 20 0 HCADRO O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534105599 1074565868 /nfs/dbraw/zinc/56/58/68/1074565868.db2.gz HQJWABBJJCXHSD-MSOLQXFVSA-N 1 0 411.458 0.897 20 0 HCADRO O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534105600 1074566036 /nfs/dbraw/zinc/56/60/36/1074566036.db2.gz HQJWABBJJCXHSD-QZTJIDSGSA-N 1 0 411.458 0.897 20 0 HCADRO O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534105601 1074565726 /nfs/dbraw/zinc/56/57/26/1074565726.db2.gz HQJWABBJJCXHSD-ROUUACIJSA-N 1 0 411.458 0.897 20 0 HCADRO O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534105603 1074565895 /nfs/dbraw/zinc/56/58/95/1074565895.db2.gz HQJWABBJJCXHSD-ZWKOTPCHSA-N 1 0 411.458 0.897 20 0 HCADRO CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534105893 1074548563 /nfs/dbraw/zinc/54/85/63/1074548563.db2.gz NVSUWKYWTJGXII-MSOLQXFVSA-N 1 0 403.504 0.960 20 0 HCADRO CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534105894 1074548643 /nfs/dbraw/zinc/54/86/43/1074548643.db2.gz NVSUWKYWTJGXII-QZTJIDSGSA-N 1 0 403.504 0.960 20 0 HCADRO 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C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118604 1074561922 /nfs/dbraw/zinc/56/19/22/1074561922.db2.gz TTWUFBIGQCGRPK-HUUCEWRRSA-N 1 0 416.478 0.690 20 0 HCADRO C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118605 1074562417 /nfs/dbraw/zinc/56/24/17/1074562417.db2.gz TTWUFBIGQCGRPK-LSDHHAIUSA-N 1 0 416.478 0.690 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118617 1074562679 /nfs/dbraw/zinc/56/26/79/1074562679.db2.gz TZYDLYIZXKZZFQ-HNNXBMFYSA-N 1 0 417.485 0.879 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118618 1074562480 /nfs/dbraw/zinc/56/24/80/1074562480.db2.gz TZYDLYIZXKZZFQ-OAHLLOKOSA-N 1 0 417.485 0.879 20 0 HCADRO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534118723 1074561693 /nfs/dbraw/zinc/56/16/93/1074561693.db2.gz FRBLIESIEFEZDD-CVEARBPZSA-N 1 0 414.437 0.615 20 0 HCADRO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534118727 1074561801 /nfs/dbraw/zinc/56/18/01/1074561801.db2.gz FRBLIESIEFEZDD-HOTGVXAUSA-N 1 0 414.437 0.615 20 0 HCADRO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534118729 1074561725 /nfs/dbraw/zinc/56/17/25/1074561725.db2.gz FRBLIESIEFEZDD-HZPDHXFCSA-N 1 0 414.437 0.615 20 0 HCADRO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534118731 1074561936 /nfs/dbraw/zinc/56/19/36/1074561936.db2.gz FRBLIESIEFEZDD-JKSUJKDBSA-N 1 0 414.437 0.615 20 0 HCADRO COc1ccc(COC[C@@H](O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1OC ZINC000534119253 1074562782 /nfs/dbraw/zinc/56/27/82/1074562782.db2.gz UBXVZZKHCIJOJT-HNNXBMFYSA-N 1 0 407.467 0.598 20 0 HCADRO COc1ccc(COC[C@H](O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1OC ZINC000534119254 1074562822 /nfs/dbraw/zinc/56/28/22/1074562822.db2.gz UBXVZZKHCIJOJT-OAHLLOKOSA-N 1 0 407.467 0.598 20 0 HCADRO CN(CC[NH+]1CCCC1)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000534119587 1074562732 /nfs/dbraw/zinc/56/27/32/1074562732.db2.gz XQKDAVVQNQMPGE-UHFFFAOYSA-N 1 0 410.540 0.674 20 0 HCADRO Cn1c(=O)oc2c1cccc2NC(=O)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534121073 1074563292 /nfs/dbraw/zinc/56/32/92/1074563292.db2.gz MPXYVOGPXKEBMW-CVEARBPZSA-N 1 0 424.457 0.822 20 0 HCADRO Cn1c(=O)oc2c1cccc2NC(=O)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534121076 1074563178 /nfs/dbraw/zinc/56/31/78/1074563178.db2.gz MPXYVOGPXKEBMW-HOTGVXAUSA-N 1 0 424.457 0.822 20 0 HCADRO Cn1c(=O)oc2c1cccc2NC(=O)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534121077 1074563411 /nfs/dbraw/zinc/56/34/11/1074563411.db2.gz MPXYVOGPXKEBMW-HZPDHXFCSA-N 1 0 424.457 0.822 20 0 HCADRO Cn1c(=O)oc2c1cccc2NC(=O)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534121079 1074563321 /nfs/dbraw/zinc/56/33/21/1074563321.db2.gz MPXYVOGPXKEBMW-JKSUJKDBSA-N 1 0 424.457 0.822 20 0 HCADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000534121844 1074564135 /nfs/dbraw/zinc/56/41/35/1074564135.db2.gz ULJAARKJWXALJS-MOPGFXCFSA-N 1 0 420.473 0.957 20 0 HCADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000534121847 1074564029 /nfs/dbraw/zinc/56/40/29/1074564029.db2.gz ULJAARKJWXALJS-OALUTQOASA-N 1 0 420.473 0.957 20 0 HCADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000534121848 1074563910 /nfs/dbraw/zinc/56/39/10/1074563910.db2.gz ULJAARKJWXALJS-RBUKOAKNSA-N 1 0 420.473 0.957 20 0 HCADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000534121849 1074564070 /nfs/dbraw/zinc/56/40/70/1074564070.db2.gz ULJAARKJWXALJS-RTBURBONSA-N 1 0 420.473 0.957 20 0 HCADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cccnc1-n1cncn1 ZINC000534122772 1074564524 /nfs/dbraw/zinc/56/45/24/1074564524.db2.gz IPIOOPRPGCAKDQ-DLBZAZTESA-N 1 0 421.461 0.352 20 0 HCADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cccnc1-n1cncn1 ZINC000534122773 1074564646 /nfs/dbraw/zinc/56/46/46/1074564646.db2.gz IPIOOPRPGCAKDQ-IAGOWNOFSA-N 1 0 421.461 0.352 20 0 HCADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cccnc1-n1cncn1 ZINC000534122774 1074564691 /nfs/dbraw/zinc/56/46/91/1074564691.db2.gz IPIOOPRPGCAKDQ-IRXDYDNUSA-N 1 0 421.461 0.352 20 0 HCADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cccnc1-n1cncn1 ZINC000534122775 1074564421 /nfs/dbraw/zinc/56/44/21/1074564421.db2.gz IPIOOPRPGCAKDQ-SJORKVTESA-N 1 0 421.461 0.352 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)CC[NH+]2CCCC2)CC1 ZINC000534123509 1074565097 /nfs/dbraw/zinc/56/50/97/1074565097.db2.gz FRKUQKMAAYQVRF-UHFFFAOYSA-N 1 0 413.544 0.152 20 0 HCADRO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1O ZINC000534125934 1074565598 /nfs/dbraw/zinc/56/55/98/1074565598.db2.gz ITPWVRGSPOLPMM-DAYGRLMNSA-N 1 0 411.524 0.737 20 0 HCADRO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@H]1O ZINC000534125935 1074565946 /nfs/dbraw/zinc/56/59/46/1074565946.db2.gz ITPWVRGSPOLPMM-HDMKZQKVSA-N 1 0 411.524 0.737 20 0 HCADRO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@H]1O ZINC000534125936 1074566098 /nfs/dbraw/zinc/56/60/98/1074566098.db2.gz ITPWVRGSPOLPMM-IIDMSEBBSA-N 1 0 411.524 0.737 20 0 HCADRO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1O ZINC000534125937 1074565688 /nfs/dbraw/zinc/56/56/88/1074565688.db2.gz ITPWVRGSPOLPMM-RKVPGOIHSA-N 1 0 411.524 0.737 20 0 HCADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C[C@H]1O ZINC000534126367 1074571650 /nfs/dbraw/zinc/57/16/50/1074571650.db2.gz HQKAZEZNNYFLMC-CRAIPNDOSA-N 1 0 411.524 0.231 20 0 HCADRO CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C[C@H]1O ZINC000534126371 1074571914 /nfs/dbraw/zinc/57/19/14/1074571914.db2.gz HQKAZEZNNYFLMC-MAUKXSAKSA-N 1 0 411.524 0.231 20 0 HCADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C[C@@H]1O ZINC000534126372 1074571841 /nfs/dbraw/zinc/57/18/41/1074571841.db2.gz HQKAZEZNNYFLMC-QAPCUYQASA-N 1 0 411.524 0.231 20 0 HCADRO CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C[C@@H]1O ZINC000534126373 1074571733 /nfs/dbraw/zinc/57/17/33/1074571733.db2.gz HQKAZEZNNYFLMC-YJBOKZPZSA-N 1 0 411.524 0.231 20 0 HCADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C[C@@H]1O ZINC000534126418 1074571327 /nfs/dbraw/zinc/57/13/27/1074571327.db2.gz JDNBWOVLWNHDEJ-APWZRJJASA-N 1 0 423.535 0.425 20 0 HCADRO CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C[C@@H]1O ZINC000534126419 1074571001 /nfs/dbraw/zinc/57/10/01/1074571001.db2.gz JDNBWOVLWNHDEJ-LPHOPBHVSA-N 1 0 423.535 0.425 20 0 HCADRO CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C[C@H]1O ZINC000534126420 1074571370 /nfs/dbraw/zinc/57/13/70/1074571370.db2.gz JDNBWOVLWNHDEJ-QFBILLFUSA-N 1 0 423.535 0.425 20 0 HCADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C[C@H]1O ZINC000534126422 1074571182 /nfs/dbraw/zinc/57/11/82/1074571182.db2.gz JDNBWOVLWNHDEJ-VQIMIIECSA-N 1 0 423.535 0.425 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCCSCC3)CC2)cc1 ZINC000534126719 1074571884 /nfs/dbraw/zinc/57/18/84/1074571884.db2.gz MVYRDRWPHBWGFP-UHFFFAOYSA-N 1 0 413.565 0.967 20 0 HCADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C[C@@H]1O ZINC000534127100 1074571696 /nfs/dbraw/zinc/57/16/96/1074571696.db2.gz WVIJMHIQXAOVBF-APWZRJJASA-N 1 0 423.535 0.425 20 0 HCADRO CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C[C@@H]1O ZINC000534127101 1074571863 /nfs/dbraw/zinc/57/18/63/1074571863.db2.gz WVIJMHIQXAOVBF-LPHOPBHVSA-N 1 0 423.535 0.425 20 0 HCADRO CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C[C@H]1O ZINC000534127102 1074571929 /nfs/dbraw/zinc/57/19/29/1074571929.db2.gz WVIJMHIQXAOVBF-QFBILLFUSA-N 1 0 423.535 0.425 20 0 HCADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C[C@H]1O ZINC000534127103 1074571786 /nfs/dbraw/zinc/57/17/86/1074571786.db2.gz WVIJMHIQXAOVBF-VQIMIIECSA-N 1 0 423.535 0.425 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCSCC2)CC1 ZINC000534130134 1074572966 /nfs/dbraw/zinc/57/29/66/1074572966.db2.gz PQJPAKYSBHTBNU-UHFFFAOYSA-N 1 0 402.542 0.563 20 0 HCADRO COCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000534130201 1074572774 /nfs/dbraw/zinc/57/27/74/1074572774.db2.gz VOOBKRKQTCSXEC-DOTOQJQBSA-N 1 0 413.540 0.509 20 0 HCADRO COCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000534130202 1074572901 /nfs/dbraw/zinc/57/29/01/1074572901.db2.gz VOOBKRKQTCSXEC-NVXWUHKLSA-N 1 0 413.540 0.509 20 0 HCADRO COCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000534130203 1074573130 /nfs/dbraw/zinc/57/31/30/1074573130.db2.gz VOOBKRKQTCSXEC-RDJZCZTQSA-N 1 0 413.540 0.509 20 0 HCADRO COCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000534130204 1074573063 /nfs/dbraw/zinc/57/30/63/1074573063.db2.gz VOOBKRKQTCSXEC-WBVHZDCISA-N 1 0 413.540 0.509 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(C)o1 ZINC000534130273 1074573087 /nfs/dbraw/zinc/57/30/87/1074573087.db2.gz ZSOJXHCDBLLCBO-CVEARBPZSA-N 1 0 407.492 0.861 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(C)o1 ZINC000534130274 1074573431 /nfs/dbraw/zinc/57/34/31/1074573431.db2.gz ZSOJXHCDBLLCBO-HOTGVXAUSA-N 1 0 407.492 0.861 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(C)o1 ZINC000534130275 1074573732 /nfs/dbraw/zinc/57/37/32/1074573732.db2.gz ZSOJXHCDBLLCBO-HZPDHXFCSA-N 1 0 407.492 0.861 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(C)o1 ZINC000534130276 1074573661 /nfs/dbraw/zinc/57/36/61/1074573661.db2.gz ZSOJXHCDBLLCBO-JKSUJKDBSA-N 1 0 407.492 0.861 20 0 HCADRO O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534131756 1074573717 /nfs/dbraw/zinc/57/37/17/1074573717.db2.gz UKMMRNRKOMQVTM-DLBZAZTESA-N 1 0 400.479 0.603 20 0 HCADRO O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534131757 1074573557 /nfs/dbraw/zinc/57/35/57/1074573557.db2.gz UKMMRNRKOMQVTM-IAGOWNOFSA-N 1 0 400.479 0.603 20 0 HCADRO O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534131758 1074573688 /nfs/dbraw/zinc/57/36/88/1074573688.db2.gz UKMMRNRKOMQVTM-IRXDYDNUSA-N 1 0 400.479 0.603 20 0 HCADRO O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534131759 1074573399 /nfs/dbraw/zinc/57/33/99/1074573399.db2.gz UKMMRNRKOMQVTM-SJORKVTESA-N 1 0 400.479 0.603 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000534134188 1074574196 /nfs/dbraw/zinc/57/41/96/1074574196.db2.gz RWPRNESWTLWKPQ-UHFFFAOYSA-N 1 0 406.508 0.951 20 0 HCADRO COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000534137241 1074575269 /nfs/dbraw/zinc/57/52/69/1074575269.db2.gz VCXMUZNWXXRUOC-AWEZNQCLSA-N 1 0 410.540 0.958 20 0 HCADRO COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000534137247 1074575183 /nfs/dbraw/zinc/57/51/83/1074575183.db2.gz VCXMUZNWXXRUOC-CQSZACIVSA-N 1 0 410.540 0.958 20 0 HCADRO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(CS(N)(=O)=O)CC2)c(OC)c1 ZINC000534141032 1074568960 /nfs/dbraw/zinc/56/89/60/1074568960.db2.gz NFFSZWZXXQXEKQ-HNNXBMFYSA-N 1 0 416.496 0.222 20 0 HCADRO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(CS(N)(=O)=O)CC2)c(OC)c1 ZINC000534141033 1074569178 /nfs/dbraw/zinc/56/91/78/1074569178.db2.gz NFFSZWZXXQXEKQ-OAHLLOKOSA-N 1 0 416.496 0.222 20 0 HCADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC(S(N)(=O)=O)CC2)CC1 ZINC000534141413 1074570081 /nfs/dbraw/zinc/57/00/81/1074570081.db2.gz HZXNEMZALFIZHL-UHFFFAOYSA-N 1 0 408.568 0.782 20 0 HCADRO NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(CS(N)(=O)=O)CC2)cc1Cl ZINC000534141424 1074570022 /nfs/dbraw/zinc/57/00/22/1074570022.db2.gz NAYRMIQEVUUTCC-UHFFFAOYSA-N 1 0 402.904 0.768 20 0 HCADRO CCCCS(=O)(=O)NCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000534147786 1074577181 /nfs/dbraw/zinc/57/71/81/1074577181.db2.gz RLSPLXGSPDYPNQ-UHFFFAOYSA-N 1 0 416.588 0.547 20 0 HCADRO COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000534148615 1074577491 /nfs/dbraw/zinc/57/74/91/1074577491.db2.gz ZSTJSGMPGJGHQX-UHFFFAOYSA-N 1 0 424.523 0.438 20 0 HCADRO Cc1ccccc1-n1nccc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000534175196 1074578676 /nfs/dbraw/zinc/57/86/76/1074578676.db2.gz NXWRIKXCUDXIQF-UHFFFAOYSA-N 1 0 424.505 0.886 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)CC1 ZINC000534177440 1074578904 /nfs/dbraw/zinc/57/89/04/1074578904.db2.gz WLNXESRSYRGCHD-HOTGVXAUSA-N 1 0 402.543 0.864 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)CC1 ZINC000534177455 1074578821 /nfs/dbraw/zinc/57/88/21/1074578821.db2.gz WLNXESRSYRGCHD-HZPDHXFCSA-N 1 0 402.543 0.864 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)CC1 ZINC000534177456 1074578730 /nfs/dbraw/zinc/57/87/30/1074578730.db2.gz WLNXESRSYRGCHD-IYBDPMFKSA-N 1 0 402.543 0.864 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2ncccc2F)CC1 ZINC000534178488 1074579427 /nfs/dbraw/zinc/57/94/27/1074579427.db2.gz VKMQGXIDDYXVLY-KRWDZBQOSA-N 1 0 406.506 0.995 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2ncccc2F)CC1 ZINC000534178491 1074579373 /nfs/dbraw/zinc/57/93/73/1074579373.db2.gz VKMQGXIDDYXVLY-QGZVFWFLSA-N 1 0 406.506 0.995 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3ncccc3F)CC2)CC1 ZINC000534179302 1074579160 /nfs/dbraw/zinc/57/91/60/1074579160.db2.gz ZUESPHQQQVQTJT-UHFFFAOYSA-N 1 0 406.506 0.995 20 0 HCADRO CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534181226 1074580070 /nfs/dbraw/zinc/58/00/70/1074580070.db2.gz HMDMDAPRGDIQKU-MOPGFXCFSA-N 1 0 404.511 0.018 20 0 HCADRO CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000534181240 1074579789 /nfs/dbraw/zinc/57/97/89/1074579789.db2.gz HMDMDAPRGDIQKU-OALUTQOASA-N 1 0 404.511 0.018 20 0 HCADRO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000534181243 1074579896 /nfs/dbraw/zinc/57/98/96/1074579896.db2.gz HMDMDAPRGDIQKU-RBUKOAKNSA-N 1 0 404.511 0.018 20 0 HCADRO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534181244 1074579845 /nfs/dbraw/zinc/57/98/45/1074579845.db2.gz HMDMDAPRGDIQKU-RTBURBONSA-N 1 0 404.511 0.018 20 0 HCADRO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000534181325 1074580024 /nfs/dbraw/zinc/58/00/24/1074580024.db2.gz INWBUOXMMLPDMY-CVEARBPZSA-N 1 0 407.492 0.801 20 0 HCADRO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000534181334 1074579866 /nfs/dbraw/zinc/57/98/66/1074579866.db2.gz INWBUOXMMLPDMY-HOTGVXAUSA-N 1 0 407.492 0.801 20 0 HCADRO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000534181336 1074579980 /nfs/dbraw/zinc/57/99/80/1074579980.db2.gz INWBUOXMMLPDMY-HZPDHXFCSA-N 1 0 407.492 0.801 20 0 HCADRO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000534181338 1074580127 /nfs/dbraw/zinc/58/01/27/1074580127.db2.gz INWBUOXMMLPDMY-JKSUJKDBSA-N 1 0 407.492 0.801 20 0 HCADRO COCCn1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1=O ZINC000534182357 1074580814 /nfs/dbraw/zinc/58/08/14/1074580814.db2.gz OMKPDILVVAENHP-MSOLQXFVSA-N 1 0 400.479 0.503 20 0 HCADRO COCCn1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1=O ZINC000534182358 1074580474 /nfs/dbraw/zinc/58/04/74/1074580474.db2.gz OMKPDILVVAENHP-QZTJIDSGSA-N 1 0 400.479 0.503 20 0 HCADRO COCCn1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1=O ZINC000534182359 1074580765 /nfs/dbraw/zinc/58/07/65/1074580765.db2.gz OMKPDILVVAENHP-ROUUACIJSA-N 1 0 400.479 0.503 20 0 HCADRO COCCn1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1=O ZINC000534182360 1074580528 /nfs/dbraw/zinc/58/05/28/1074580528.db2.gz OMKPDILVVAENHP-ZWKOTPCHSA-N 1 0 400.479 0.503 20 0 HCADRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000534182654 1074580095 /nfs/dbraw/zinc/58/00/95/1074580095.db2.gz RDDIIGRLFYZFBG-HKUYNNGSSA-N 1 0 409.490 0.873 20 0 HCADRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534182657 1074579948 /nfs/dbraw/zinc/57/99/48/1074579948.db2.gz RDDIIGRLFYZFBG-IEBWSBKVSA-N 1 0 409.490 0.873 20 0 HCADRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534182659 1074580151 /nfs/dbraw/zinc/58/01/51/1074580151.db2.gz RDDIIGRLFYZFBG-MJGOQNOKSA-N 1 0 409.490 0.873 20 0 HCADRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000534182661 1074580660 /nfs/dbraw/zinc/58/06/60/1074580660.db2.gz RDDIIGRLFYZFBG-PKOBYXMFSA-N 1 0 409.490 0.873 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)c2=O ZINC000534183165 1074580787 /nfs/dbraw/zinc/58/07/87/1074580787.db2.gz AOWKLRVBVOMBQU-AEFFLSMTSA-N 1 0 410.478 0.129 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)c2=O ZINC000534183168 1074580698 /nfs/dbraw/zinc/58/06/98/1074580698.db2.gz AOWKLRVBVOMBQU-FUHWJXTLSA-N 1 0 410.478 0.129 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)c2=O ZINC000534183169 1074580590 /nfs/dbraw/zinc/58/05/90/1074580590.db2.gz AOWKLRVBVOMBQU-SJLPKXTDSA-N 1 0 410.478 0.129 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)c2=O ZINC000534183171 1074580750 /nfs/dbraw/zinc/58/07/50/1074580750.db2.gz AOWKLRVBVOMBQU-WMZOPIPTSA-N 1 0 410.478 0.129 20 0 HCADRO O=C(CSCC(=O)N1CCOCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534183179 1074580682 /nfs/dbraw/zinc/58/06/82/1074580682.db2.gz AQIHXRQVKFDFRW-MOPGFXCFSA-N 1 0 421.563 0.578 20 0 HCADRO O=C(CSCC(=O)N1CCOCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000534183189 1074581214 /nfs/dbraw/zinc/58/12/14/1074581214.db2.gz AQIHXRQVKFDFRW-OALUTQOASA-N 1 0 421.563 0.578 20 0 HCADRO O=C(CSCC(=O)N1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000534183190 1074581192 /nfs/dbraw/zinc/58/11/92/1074581192.db2.gz AQIHXRQVKFDFRW-RBUKOAKNSA-N 1 0 421.563 0.578 20 0 HCADRO O=C(CSCC(=O)N1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534183191 1074581114 /nfs/dbraw/zinc/58/11/14/1074581114.db2.gz AQIHXRQVKFDFRW-RTBURBONSA-N 1 0 421.563 0.578 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)co1 ZINC000534183549 1074581250 /nfs/dbraw/zinc/58/12/50/1074581250.db2.gz HIKYQWGYPDPNQA-DLBZAZTESA-N 1 0 407.492 0.801 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)co1 ZINC000534183550 1074581230 /nfs/dbraw/zinc/58/12/30/1074581230.db2.gz HIKYQWGYPDPNQA-IAGOWNOFSA-N 1 0 407.492 0.801 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)co1 ZINC000534183551 1074581045 /nfs/dbraw/zinc/58/10/45/1074581045.db2.gz HIKYQWGYPDPNQA-IRXDYDNUSA-N 1 0 407.492 0.801 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)co1 ZINC000534183552 1074581160 /nfs/dbraw/zinc/58/11/60/1074581160.db2.gz HIKYQWGYPDPNQA-SJORKVTESA-N 1 0 407.492 0.801 20 0 HCADRO C[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O ZINC000534183625 1074580800 /nfs/dbraw/zinc/58/08/00/1074580800.db2.gz WWQROTRHHWOGDU-BPQIPLTHSA-N 1 0 414.506 0.991 20 0 HCADRO C[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O ZINC000534183626 1074580716 /nfs/dbraw/zinc/58/07/16/1074580716.db2.gz WWQROTRHHWOGDU-KBAYOESNSA-N 1 0 414.506 0.991 20 0 HCADRO C[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O ZINC000534183627 1074580610 /nfs/dbraw/zinc/58/06/10/1074580610.db2.gz WWQROTRHHWOGDU-NJAFHUGGSA-N 1 0 414.506 0.991 20 0 HCADRO C[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O ZINC000534183628 1074581088 /nfs/dbraw/zinc/58/10/88/1074581088.db2.gz WWQROTRHHWOGDU-NXHRZFHOSA-N 1 0 414.506 0.991 20 0 HCADRO CS(=O)(=O)NCc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)o1 ZINC000534185034 1074581136 /nfs/dbraw/zinc/58/11/36/1074581136.db2.gz GSMXDYOWEDEDJW-AEFFLSMTSA-N 1 0 421.519 0.942 20 0 HCADRO CS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)o1 ZINC000534185035 1074581186 /nfs/dbraw/zinc/58/11/86/1074581186.db2.gz GSMXDYOWEDEDJW-FUHWJXTLSA-N 1 0 421.519 0.942 20 0 HCADRO CS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)o1 ZINC000534185036 1074581276 /nfs/dbraw/zinc/58/12/76/1074581276.db2.gz GSMXDYOWEDEDJW-SJLPKXTDSA-N 1 0 421.519 0.942 20 0 HCADRO CS(=O)(=O)NCc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)o1 ZINC000534185037 1074581175 /nfs/dbraw/zinc/58/11/75/1074581175.db2.gz GSMXDYOWEDEDJW-WMZOPIPTSA-N 1 0 421.519 0.942 20 0 HCADRO Cc1ccccc1-n1nccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000534187156 1074581625 /nfs/dbraw/zinc/58/16/25/1074581625.db2.gz BXNMFNINGPOQCM-INIZCTEOSA-N 1 0 412.494 0.823 20 0 HCADRO Cc1ccccc1-n1nccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000534187157 1074581717 /nfs/dbraw/zinc/58/17/17/1074581717.db2.gz BXNMFNINGPOQCM-MRXNPFEDSA-N 1 0 412.494 0.823 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n(-c2ccccc2)n1 ZINC000534187685 1074581559 /nfs/dbraw/zinc/58/15/59/1074581559.db2.gz FGVHRSIAINNCJA-INIZCTEOSA-N 1 0 412.494 0.823 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n(-c2ccccc2)n1 ZINC000534187686 1074581643 /nfs/dbraw/zinc/58/16/43/1074581643.db2.gz FGVHRSIAINNCJA-MRXNPFEDSA-N 1 0 412.494 0.823 20 0 HCADRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000534189414 1074585030 /nfs/dbraw/zinc/58/50/30/1074585030.db2.gz KDSJEOMXZFIBPK-UHFFFAOYSA-N 1 0 413.478 0.485 20 0 HCADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000534189819 1074585089 /nfs/dbraw/zinc/58/50/89/1074585089.db2.gz CBHOKAJIXWZNFV-AWEZNQCLSA-N 1 0 409.512 0.383 20 0 HCADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000534189821 1074585102 /nfs/dbraw/zinc/58/51/02/1074585102.db2.gz CBHOKAJIXWZNFV-CQSZACIVSA-N 1 0 409.512 0.383 20 0 HCADRO Cc1nc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cn1C ZINC000534190448 1074585515 /nfs/dbraw/zinc/58/55/15/1074585515.db2.gz PFBKZPOAISPJOP-UHFFFAOYSA-N 1 0 409.512 0.303 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534199308 1074583649 /nfs/dbraw/zinc/58/36/49/1074583649.db2.gz LEIXGCOPBKJRPS-MSOLQXFVSA-N 1 0 403.504 0.628 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534199309 1074583829 /nfs/dbraw/zinc/58/38/29/1074583829.db2.gz LEIXGCOPBKJRPS-QZTJIDSGSA-N 1 0 403.504 0.628 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534199310 1074583865 /nfs/dbraw/zinc/58/38/65/1074583865.db2.gz LEIXGCOPBKJRPS-ROUUACIJSA-N 1 0 403.504 0.628 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534199311 1074583614 /nfs/dbraw/zinc/58/36/14/1074583614.db2.gz LEIXGCOPBKJRPS-ZWKOTPCHSA-N 1 0 403.504 0.628 20 0 HCADRO O=C(CNS(=O)(=O)c1cccs1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534199657 1074583784 /nfs/dbraw/zinc/58/37/84/1074583784.db2.gz UMZCPJOHMSAOJL-CVEARBPZSA-N 1 0 409.533 0.778 20 0 HCADRO O=C(CNS(=O)(=O)c1cccs1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534199658 1074583689 /nfs/dbraw/zinc/58/36/89/1074583689.db2.gz UMZCPJOHMSAOJL-HOTGVXAUSA-N 1 0 409.533 0.778 20 0 HCADRO O=C(CNS(=O)(=O)c1cccs1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534199659 1074583919 /nfs/dbraw/zinc/58/39/19/1074583919.db2.gz UMZCPJOHMSAOJL-HZPDHXFCSA-N 1 0 409.533 0.778 20 0 HCADRO O=C(CNS(=O)(=O)c1cccs1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534199660 1074583714 /nfs/dbraw/zinc/58/37/14/1074583714.db2.gz UMZCPJOHMSAOJL-JKSUJKDBSA-N 1 0 409.533 0.778 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000534204495 1074584164 /nfs/dbraw/zinc/58/41/64/1074584164.db2.gz RMGHMMKBXSAQJN-UHFFFAOYSA-N 1 0 423.583 0.181 20 0 HCADRO COCCC(=O)N1CCC(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000534205668 1074584255 /nfs/dbraw/zinc/58/42/55/1074584255.db2.gz SQKUIBBEORAVON-UHFFFAOYSA-N 1 0 407.515 0.849 20 0 HCADRO COC(=O)c1sccc1N1C(=O)C[C@H](N2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000534212624 1074587126 /nfs/dbraw/zinc/58/71/26/1074587126.db2.gz OUXDJLYNCXHOHI-HNNXBMFYSA-N 1 0 407.492 0.963 20 0 HCADRO COC(=O)c1sccc1N1C(=O)C[C@@H](N2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000534212628 1074587277 /nfs/dbraw/zinc/58/72/77/1074587277.db2.gz OUXDJLYNCXHOHI-OAHLLOKOSA-N 1 0 407.492 0.963 20 0 HCADRO CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCC[NH+](C)C)cc2)CC1 ZINC000534214347 1074587764 /nfs/dbraw/zinc/58/77/64/1074587764.db2.gz KREHXBOWCLWIHO-UHFFFAOYSA-N 1 0 405.543 0.633 20 0 HCADRO CN(CCC[NH+]1CCN(C)CC1)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000534217026 1074587929 /nfs/dbraw/zinc/58/79/29/1074587929.db2.gz MQNNHNAAUBXSPR-UHFFFAOYSA-N 1 0 407.544 0.135 20 0 HCADRO C[N@H+](CCCn1ccnc1)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000534218959 1074588443 /nfs/dbraw/zinc/58/84/43/1074588443.db2.gz AJVJKAHZTFEEOR-UHFFFAOYSA-N 1 0 423.514 0.877 20 0 HCADRO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000534219171 1074588520 /nfs/dbraw/zinc/58/85/20/1074588520.db2.gz OGMJDXPPTNQKKV-HNNXBMFYSA-N 1 0 411.572 0.619 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000534219172 1074588574 /nfs/dbraw/zinc/58/85/74/1074588574.db2.gz OGMJDXPPTNQKKV-OAHLLOKOSA-N 1 0 411.572 0.619 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)Nc2cnn(CC(=O)NC3CC3)c2)ccn1 ZINC000534220200 1074588914 /nfs/dbraw/zinc/58/89/14/1074588914.db2.gz CCIFAWMTGLNWCS-UHFFFAOYSA-N 1 0 401.471 0.819 20 0 HCADRO C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CCN1CC(F)(F)F ZINC000534223273 1074589337 /nfs/dbraw/zinc/58/93/37/1074589337.db2.gz XOGBMHIWGGALPV-INIZCTEOSA-N 1 0 409.497 0.655 20 0 HCADRO C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CCN1CC(F)(F)F ZINC000534223274 1074589370 /nfs/dbraw/zinc/58/93/70/1074589370.db2.gz XOGBMHIWGGALPV-MRXNPFEDSA-N 1 0 409.497 0.655 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)ccn1 ZINC000534223706 1074589391 /nfs/dbraw/zinc/58/93/91/1074589391.db2.gz FQCNBPCKLBDYIX-CYBMUJFWSA-N 1 0 403.405 0.984 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)ccn1 ZINC000534223709 1074589245 /nfs/dbraw/zinc/58/92/45/1074589245.db2.gz FQCNBPCKLBDYIX-ZDUSSCGKSA-N 1 0 403.405 0.984 20 0 HCADRO C[NH+](C)Cc1ccc(CNC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1F ZINC000534224637 1074589280 /nfs/dbraw/zinc/58/92/80/1074589280.db2.gz NYAHUFDWVUYMJA-UHFFFAOYSA-N 1 0 413.475 0.794 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000534227545 1074589166 /nfs/dbraw/zinc/58/91/66/1074589166.db2.gz XBJHMYXSZDGCJZ-HNNXBMFYSA-N 1 0 403.487 0.574 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000534227546 1074589233 /nfs/dbraw/zinc/58/92/33/1074589233.db2.gz XBJHMYXSZDGCJZ-OAHLLOKOSA-N 1 0 403.487 0.574 20 0 HCADRO CN(CC(=O)NCc1ccnc(OCC[NH+](C)C)c1)S(=O)(=O)c1cccnc1 ZINC000534227559 1074589418 /nfs/dbraw/zinc/58/94/18/1074589418.db2.gz XKGXDKKXFHDUIL-UHFFFAOYSA-N 1 0 407.496 0.354 20 0 HCADRO COC(=O)c1sc(NC(=O)CC[N@@H+]2CC[C@H](NC(N)=O)C2)c(C(=O)OC)c1C ZINC000534229387 1074586863 /nfs/dbraw/zinc/58/68/63/1074586863.db2.gz IHBZSVDZLIEBII-JTQLQIEISA-N 1 0 412.468 0.701 20 0 HCADRO COC(=O)c1sc(NC(=O)CC[N@@H+]2CC[C@@H](NC(N)=O)C2)c(C(=O)OC)c1C ZINC000534229390 1074586836 /nfs/dbraw/zinc/58/68/36/1074586836.db2.gz IHBZSVDZLIEBII-SNVBAGLBSA-N 1 0 412.468 0.701 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000534237818 1074589703 /nfs/dbraw/zinc/58/97/03/1074589703.db2.gz OVBRJHNBTQYUKB-UHFFFAOYSA-N 1 0 421.523 0.930 20 0 HCADRO C[NH+](C)Cc1ccc(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1F ZINC000534238911 1074589627 /nfs/dbraw/zinc/58/96/27/1074589627.db2.gz OUAZGKCIHIZGTE-UHFFFAOYSA-N 1 0 405.474 0.520 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000534239122 1074589681 /nfs/dbraw/zinc/58/96/81/1074589681.db2.gz SWFBSVGREXJWOA-UHFFFAOYSA-N 1 0 407.490 0.766 20 0 HCADRO Cn1ccnc(N2CCN(C(=O)NCc3ccnc(OCC[NH+](C)C)c3)CC2)c1=O ZINC000534239703 1074589549 /nfs/dbraw/zinc/58/95/49/1074589549.db2.gz DIYXRRKVOIPJTD-UHFFFAOYSA-N 1 0 415.498 0.148 20 0 HCADRO Cn1cc(N2CCN(C(=O)NCc3ccnc(OCC[NH+](C)C)c3)CC2=O)cn1 ZINC000534239720 1074589844 /nfs/dbraw/zinc/58/98/44/1074589844.db2.gz FMDMFHWRHZYIJE-UHFFFAOYSA-N 1 0 401.471 0.314 20 0 HCADRO CN(C1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1)S(C)(=O)=O ZINC000534240134 1074589756 /nfs/dbraw/zinc/58/97/56/1074589756.db2.gz ORZBMSJOJICGHH-UHFFFAOYSA-N 1 0 413.544 0.587 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)ccn1 ZINC000534240327 1074589799 /nfs/dbraw/zinc/58/97/99/1074589799.db2.gz DVUALIRMUMYBQR-UHFFFAOYSA-N 1 0 419.526 0.802 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)NCc3ccnc(OCC[NH+](C)C)c3)C2=O)n(C)n1 ZINC000534241313 1074589991 /nfs/dbraw/zinc/58/99/91/1074589991.db2.gz ZRCNNYUGVJHXHS-INIZCTEOSA-N 1 0 415.498 0.669 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)NCc3ccnc(OCC[NH+](C)C)c3)C2=O)n(C)n1 ZINC000534241314 1074590067 /nfs/dbraw/zinc/59/00/67/1074590067.db2.gz ZRCNNYUGVJHXHS-MRXNPFEDSA-N 1 0 415.498 0.669 20 0 HCADRO Cc1noc(CN2CCN(C(=O)NCc3ccnc(OCC[NH+](C)C)c3)CC2)n1 ZINC000534241503 1074590180 /nfs/dbraw/zinc/59/01/80/1074590180.db2.gz KAISBRPROLLCDR-UHFFFAOYSA-N 1 0 403.487 0.741 20 0 HCADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)ccn1 ZINC000534241773 1074590103 /nfs/dbraw/zinc/59/01/03/1074590103.db2.gz MSYBNTVLRHDNEG-UHFFFAOYSA-N 1 0 419.463 0.030 20 0 HCADRO Cn1c2ccc(S(=O)(=O)NCc3ccnc(OCC[NH+](C)C)c3)cc2n(C)c1=O ZINC000534241795 1074590092 /nfs/dbraw/zinc/59/00/92/1074590092.db2.gz ORCLCENTOYGPJD-UHFFFAOYSA-N 1 0 419.507 0.691 20 0 HCADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccn1 ZINC000534242108 1074590169 /nfs/dbraw/zinc/59/01/69/1074590169.db2.gz APMPKCUZKNXJDQ-UHFFFAOYSA-N 1 0 413.521 0.904 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)CCNS(=O)(=O)c2cccnc2)ccn1 ZINC000534248307 1074590821 /nfs/dbraw/zinc/59/08/21/1074590821.db2.gz WRPIITJPKWGOOB-UHFFFAOYSA-N 1 0 407.496 0.402 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)ccn1 ZINC000534249481 1074590785 /nfs/dbraw/zinc/59/07/85/1074590785.db2.gz GSLDRZDCQRRGOJ-GOSISDBHSA-N 1 0 419.526 0.802 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)ccn1 ZINC000534249482 1074590847 /nfs/dbraw/zinc/59/08/47/1074590847.db2.gz GSLDRZDCQRRGOJ-SFHVURJKSA-N 1 0 419.526 0.802 20 0 HCADRO Cn1ccnc1CN1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000534253521 1074592106 /nfs/dbraw/zinc/59/21/06/1074592106.db2.gz GSJPGZZSXJPYFD-UHFFFAOYSA-N 1 0 401.515 0.783 20 0 HCADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000534254090 1074591893 /nfs/dbraw/zinc/59/18/93/1074591893.db2.gz OUCWCCKFBAJIQF-INIZCTEOSA-N 1 0 413.544 0.634 20 0 HCADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000534254098 1074592133 /nfs/dbraw/zinc/59/21/33/1074592133.db2.gz OUCWCCKFBAJIQF-MRXNPFEDSA-N 1 0 413.544 0.634 20 0 HCADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCN(C(=O)c2cccnc2)CC1 ZINC000534254836 1074591981 /nfs/dbraw/zinc/59/19/81/1074591981.db2.gz DOLGHKNTDQFCBH-UHFFFAOYSA-N 1 0 408.506 0.973 20 0 HCADRO C[NH+](C)Cc1ccc(CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)cc1 ZINC000534256254 1074592446 /nfs/dbraw/zinc/59/24/46/1074592446.db2.gz PMYAWSKMGFBXBY-UHFFFAOYSA-N 1 0 418.475 0.620 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)ccn1 ZINC000534256459 1074592503 /nfs/dbraw/zinc/59/25/03/1074592503.db2.gz CWERLUOSEZLKGP-UHFFFAOYSA-N 1 0 418.542 0.472 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)ccn1 ZINC000534258049 1074592725 /nfs/dbraw/zinc/59/27/25/1074592725.db2.gz JYQMDBRPVGUIEG-INIZCTEOSA-N 1 0 413.544 0.635 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)ccn1 ZINC000534258050 1074592708 /nfs/dbraw/zinc/59/27/08/1074592708.db2.gz JYQMDBRPVGUIEG-MRXNPFEDSA-N 1 0 413.544 0.635 20 0 HCADRO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCCCC[N@H+]1CCC[C@H]1CO ZINC000534258539 1074592821 /nfs/dbraw/zinc/59/28/21/1074592821.db2.gz UTOYDPWQMLFCBA-KRWDZBQOSA-N 1 0 411.524 0.348 20 0 HCADRO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000534258540 1074592778 /nfs/dbraw/zinc/59/27/78/1074592778.db2.gz UTOYDPWQMLFCBA-QGZVFWFLSA-N 1 0 411.524 0.348 20 0 HCADRO C[NH+](C)Cc1ccc(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1F ZINC000534259685 1074592813 /nfs/dbraw/zinc/59/28/13/1074592813.db2.gz KOHXNIFENDLBBE-UHFFFAOYSA-N 1 0 421.517 0.573 20 0 HCADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000534262002 1074592975 /nfs/dbraw/zinc/59/29/75/1074592975.db2.gz IELRDSKXISKDCV-KSZLIROESA-N 1 0 416.588 0.464 20 0 HCADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000534262003 1074593112 /nfs/dbraw/zinc/59/31/12/1074593112.db2.gz IELRDSKXISKDCV-KURKYZTESA-N 1 0 416.588 0.464 20 0 HCADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000534262004 1074593155 /nfs/dbraw/zinc/59/31/55/1074593155.db2.gz IELRDSKXISKDCV-KZNAEPCWSA-N 1 0 416.588 0.464 20 0 HCADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000534262005 1074592949 /nfs/dbraw/zinc/59/29/49/1074592949.db2.gz IELRDSKXISKDCV-RCCFBDPRSA-N 1 0 416.588 0.464 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)ccc1-n1cnnn1 ZINC000534262255 1074593242 /nfs/dbraw/zinc/59/32/42/1074593242.db2.gz PJSCXYHKURHPOA-UHFFFAOYSA-N 1 0 424.465 0.561 20 0 HCADRO O=C(CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000534282785 1074594753 /nfs/dbraw/zinc/59/47/53/1074594753.db2.gz DIUZHOIESIWTFH-KRWDZBQOSA-N 1 0 414.572 0.634 20 0 HCADRO O=C(CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000534282786 1074594779 /nfs/dbraw/zinc/59/47/79/1074594779.db2.gz DIUZHOIESIWTFH-QGZVFWFLSA-N 1 0 414.572 0.634 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)c3ccc(S(N)(=O)=O)nc3)ccc2oc1=O ZINC000534287562 1074595144 /nfs/dbraw/zinc/59/51/44/1074595144.db2.gz XALDFAOZABKNFU-UHFFFAOYSA-N 1 0 405.436 0.451 20 0 HCADRO Cc1nn2cc(S(=O)(=O)NCCCCN3CC[NH+](C)CC3)cnc2c1Cl ZINC000534305938 1074596285 /nfs/dbraw/zinc/59/62/85/1074596285.db2.gz WCHJMKRVJRXTPH-UHFFFAOYSA-N 1 0 400.936 0.997 20 0 HCADRO CC[NH+](CC)CCN(C(=O)CCCN1C(=O)CCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000534314504 1074598111 /nfs/dbraw/zinc/59/81/11/1074598111.db2.gz GCQIPTYIZNEOLX-HNNXBMFYSA-N 1 0 401.529 0.273 20 0 HCADRO CC[NH+](CC)CCN(C(=O)CCCN1C(=O)CCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000534314505 1074598023 /nfs/dbraw/zinc/59/80/23/1074598023.db2.gz GCQIPTYIZNEOLX-OAHLLOKOSA-N 1 0 401.529 0.273 20 0 HCADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000534314677 1074598149 /nfs/dbraw/zinc/59/81/49/1074598149.db2.gz KQRGSPXKTXZDNY-UHFFFAOYSA-N 1 0 400.501 0.799 20 0 HCADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCN3CCO[C@H](C)C3)c2)CC1 ZINC000534320944 1074598635 /nfs/dbraw/zinc/59/86/35/1074598635.db2.gz KHASKLMOWSWMPL-GOSISDBHSA-N 1 0 417.554 0.992 20 0 HCADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCN3CCO[C@@H](C)C3)c2)CC1 ZINC000534320945 1074598472 /nfs/dbraw/zinc/59/84/72/1074598472.db2.gz KHASKLMOWSWMPL-SFHVURJKSA-N 1 0 417.554 0.992 20 0 HCADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)c2)CC1 ZINC000534327482 1074598889 /nfs/dbraw/zinc/59/88/89/1074598889.db2.gz FINZZSUQLBNYOH-HNNXBMFYSA-N 1 0 410.540 0.705 20 0 HCADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)c2)CC1 ZINC000534327486 1074598952 /nfs/dbraw/zinc/59/89/52/1074598952.db2.gz FINZZSUQLBNYOH-OAHLLOKOSA-N 1 0 410.540 0.705 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)NC[C@@H]2CS(=O)(=O)CCO2)c2ccccc2)CC1 ZINC000534338270 1074602952 /nfs/dbraw/zinc/60/29/52/1074602952.db2.gz KDTOYPLTJSCNRJ-MSOLQXFVSA-N 1 0 410.540 0.088 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@@H]2CS(=O)(=O)CCO2)c2ccccc2)CC1 ZINC000534338271 1074602866 /nfs/dbraw/zinc/60/28/66/1074602866.db2.gz KDTOYPLTJSCNRJ-QZTJIDSGSA-N 1 0 410.540 0.088 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)NC[C@H]2CS(=O)(=O)CCO2)c2ccccc2)CC1 ZINC000534338272 1074602794 /nfs/dbraw/zinc/60/27/94/1074602794.db2.gz KDTOYPLTJSCNRJ-ROUUACIJSA-N 1 0 410.540 0.088 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@H]2CS(=O)(=O)CCO2)c2ccccc2)CC1 ZINC000534338273 1074602891 /nfs/dbraw/zinc/60/28/91/1074602891.db2.gz KDTOYPLTJSCNRJ-ZWKOTPCHSA-N 1 0 410.540 0.088 20 0 HCADRO COCCN1CCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1=O ZINC000534341722 1074599386 /nfs/dbraw/zinc/59/93/86/1074599386.db2.gz MLTOQPJMISNXIH-IBGZPJMESA-N 1 0 403.527 0.475 20 0 HCADRO COCCN1CCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1=O ZINC000534341723 1074599497 /nfs/dbraw/zinc/59/94/97/1074599497.db2.gz MLTOQPJMISNXIH-LJQANCHMSA-N 1 0 403.527 0.475 20 0 HCADRO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000534352716 1074600508 /nfs/dbraw/zinc/60/05/08/1074600508.db2.gz JXNUJXVCKZKUKF-FXAWDEMLSA-N 1 0 418.538 0.871 20 0 HCADRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000534352724 1074600528 /nfs/dbraw/zinc/60/05/28/1074600528.db2.gz JXNUJXVCKZKUKF-PXNSSMCTSA-N 1 0 418.538 0.871 20 0 HCADRO CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000534352725 1074600452 /nfs/dbraw/zinc/60/04/52/1074600452.db2.gz JXNUJXVCKZKUKF-XLIONFOSSA-N 1 0 418.538 0.871 20 0 HCADRO CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000534352726 1074600362 /nfs/dbraw/zinc/60/03/62/1074600362.db2.gz JXNUJXVCKZKUKF-YLJYHZDGSA-N 1 0 418.538 0.871 20 0 HCADRO O=C(NC[C@]1(O)CCOC1)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000534352899 1074599786 /nfs/dbraw/zinc/59/97/86/1074599786.db2.gz CNXUUSIKBRDODC-DYESRHJHSA-N 1 0 413.478 0.536 20 0 HCADRO O=C(NC[C@]1(O)CCOC1)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000534352905 1074600385 /nfs/dbraw/zinc/60/03/85/1074600385.db2.gz CNXUUSIKBRDODC-LAUBAEHRSA-N 1 0 413.478 0.536 20 0 HCADRO O=C(NC[C@@]1(O)CCOC1)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000534352906 1074600438 /nfs/dbraw/zinc/60/04/38/1074600438.db2.gz CNXUUSIKBRDODC-UTKZUKDTSA-N 1 0 413.478 0.536 20 0 HCADRO O=C(NC[C@@]1(O)CCOC1)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000534352907 1074600518 /nfs/dbraw/zinc/60/05/18/1074600518.db2.gz CNXUUSIKBRDODC-UWJYYQICSA-N 1 0 413.478 0.536 20 0 HCADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000534356324 1074602175 /nfs/dbraw/zinc/60/21/75/1074602175.db2.gz WQINROWNRVFVOC-DZGCQCFKSA-N 1 0 408.524 0.412 20 0 HCADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000534356325 1074602096 /nfs/dbraw/zinc/60/20/96/1074602096.db2.gz WQINROWNRVFVOC-HIFRSBDPSA-N 1 0 408.524 0.412 20 0 HCADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000534356326 1074602125 /nfs/dbraw/zinc/60/21/25/1074602125.db2.gz WQINROWNRVFVOC-UKRRQHHQSA-N 1 0 408.524 0.412 20 0 HCADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000534356327 1074602218 /nfs/dbraw/zinc/60/22/18/1074602218.db2.gz WQINROWNRVFVOC-ZFWWWQNUSA-N 1 0 408.524 0.412 20 0 HCADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000534357371 1074604531 /nfs/dbraw/zinc/60/45/31/1074604531.db2.gz YKSYPYZRVBYCHX-GOSISDBHSA-N 1 0 422.551 0.320 20 0 HCADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000534357372 1074604484 /nfs/dbraw/zinc/60/44/84/1074604484.db2.gz YKSYPYZRVBYCHX-SFHVURJKSA-N 1 0 422.551 0.320 20 0 HCADRO CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000534359797 1074604460 /nfs/dbraw/zinc/60/44/60/1074604460.db2.gz IXXYSDLWYMLIOS-MOPGFXCFSA-N 1 0 414.616 0.512 20 0 HCADRO CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000534359806 1074605122 /nfs/dbraw/zinc/60/51/22/1074605122.db2.gz IXXYSDLWYMLIOS-OALUTQOASA-N 1 0 414.616 0.512 20 0 HCADRO CN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000534359808 1074605201 /nfs/dbraw/zinc/60/52/01/1074605201.db2.gz IXXYSDLWYMLIOS-RBUKOAKNSA-N 1 0 414.616 0.512 20 0 HCADRO CN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000534359809 1074605015 /nfs/dbraw/zinc/60/50/15/1074605015.db2.gz IXXYSDLWYMLIOS-RTBURBONSA-N 1 0 414.616 0.512 20 0 HCADRO CCN1CCN(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)C(=O)C1=O ZINC000534361230 1074605155 /nfs/dbraw/zinc/60/51/55/1074605155.db2.gz WABUHLHDMMPSIQ-MOPGFXCFSA-N 1 0 421.586 0.473 20 0 HCADRO CCN1CCN(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)C(=O)C1=O ZINC000534361231 1074605043 /nfs/dbraw/zinc/60/50/43/1074605043.db2.gz WABUHLHDMMPSIQ-OALUTQOASA-N 1 0 421.586 0.473 20 0 HCADRO CCN1CCN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)C(=O)C1=O ZINC000534361232 1074604972 /nfs/dbraw/zinc/60/49/72/1074604972.db2.gz WABUHLHDMMPSIQ-RBUKOAKNSA-N 1 0 421.586 0.473 20 0 HCADRO CCN1CCN(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)C(=O)C1=O ZINC000534361233 1074605068 /nfs/dbraw/zinc/60/50/68/1074605068.db2.gz WABUHLHDMMPSIQ-RTBURBONSA-N 1 0 421.586 0.473 20 0 HCADRO CN(C(=O)Cn1ncn2nccc2c1=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534363054 1074605104 /nfs/dbraw/zinc/60/51/04/1074605104.db2.gz ORPBEMDQUSJZSC-MSOLQXFVSA-N 1 0 415.542 0.687 20 0 HCADRO CN(C(=O)Cn1ncn2nccc2c1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534363075 1074605085 /nfs/dbraw/zinc/60/50/85/1074605085.db2.gz ORPBEMDQUSJZSC-QZTJIDSGSA-N 1 0 415.542 0.687 20 0 HCADRO CN(C(=O)Cn1ncn2nccc2c1=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534363076 1074605177 /nfs/dbraw/zinc/60/51/77/1074605177.db2.gz ORPBEMDQUSJZSC-ROUUACIJSA-N 1 0 415.542 0.687 20 0 HCADRO CN(C(=O)Cn1ncn2nccc2c1=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534363079 1074604906 /nfs/dbraw/zinc/60/49/06/1074604906.db2.gz ORPBEMDQUSJZSC-ZWKOTPCHSA-N 1 0 415.542 0.687 20 0 HCADRO C[NH+]1CCC(O)(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CC1 ZINC000534375796 1074603960 /nfs/dbraw/zinc/60/39/60/1074603960.db2.gz YPWXNQNURVUFNK-UHFFFAOYSA-N 1 0 424.567 0.868 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000534381071 1074609621 /nfs/dbraw/zinc/60/96/21/1074609621.db2.gz YMKCQTYZNQIHRV-CVEARBPZSA-N 1 0 414.528 0.217 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000534381072 1074609679 /nfs/dbraw/zinc/60/96/79/1074609679.db2.gz YMKCQTYZNQIHRV-HOTGVXAUSA-N 1 0 414.528 0.217 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[C@H]2O)CC1 ZINC000534381073 1074609552 /nfs/dbraw/zinc/60/95/52/1074609552.db2.gz YMKCQTYZNQIHRV-HZPDHXFCSA-N 1 0 414.528 0.217 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@H]2O)CC1 ZINC000534381075 1074609637 /nfs/dbraw/zinc/60/96/37/1074609637.db2.gz YMKCQTYZNQIHRV-JKSUJKDBSA-N 1 0 414.528 0.217 20 0 HCADRO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C[C@H]1CCC[C@H]1O ZINC000534381502 1074610014 /nfs/dbraw/zinc/61/00/14/1074610014.db2.gz WOEURPMHCWFFPA-CRAIPNDOSA-N 1 0 413.515 0.751 20 0 HCADRO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C[C@@H]1CCC[C@H]1O ZINC000534381505 1074610110 /nfs/dbraw/zinc/61/01/10/1074610110.db2.gz WOEURPMHCWFFPA-MAUKXSAKSA-N 1 0 413.515 0.751 20 0 HCADRO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C[C@H]1CCC[C@@H]1O ZINC000534381506 1074610236 /nfs/dbraw/zinc/61/02/36/1074610236.db2.gz WOEURPMHCWFFPA-QAPCUYQASA-N 1 0 413.515 0.751 20 0 HCADRO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000534381508 1074610063 /nfs/dbraw/zinc/61/00/63/1074610063.db2.gz WOEURPMHCWFFPA-YJBOKZPZSA-N 1 0 413.515 0.751 20 0 HCADRO CN(C(=O)NCCCN1C(=O)CNC1=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534382881 1074610729 /nfs/dbraw/zinc/61/07/29/1074610729.db2.gz ABHHGDHBGMLPES-MSOLQXFVSA-N 1 0 422.574 0.907 20 0 HCADRO CN(C(=O)NCCCN1C(=O)CNC1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534382882 1074610839 /nfs/dbraw/zinc/61/08/39/1074610839.db2.gz ABHHGDHBGMLPES-QZTJIDSGSA-N 1 0 422.574 0.907 20 0 HCADRO CN(C(=O)NCCCN1C(=O)CNC1=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534382883 1074610716 /nfs/dbraw/zinc/61/07/16/1074610716.db2.gz ABHHGDHBGMLPES-ROUUACIJSA-N 1 0 422.574 0.907 20 0 HCADRO CN(C(=O)NCCCN1C(=O)CNC1=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534382884 1074610664 /nfs/dbraw/zinc/61/06/64/1074610664.db2.gz ABHHGDHBGMLPES-ZWKOTPCHSA-N 1 0 422.574 0.907 20 0 HCADRO CCn1cc(N2C(=O)C[C@H](N3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)C2=O)cn1 ZINC000534389311 1074606163 /nfs/dbraw/zinc/60/61/63/1074606163.db2.gz XCYLSFPYNAMFBC-RZRMAFQFSA-N 1 0 400.527 0.778 20 0 HCADRO CCn1cc(N2C(=O)C[C@@H](N3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)C2=O)cn1 ZINC000534389314 1074606287 /nfs/dbraw/zinc/60/62/87/1074606287.db2.gz XCYLSFPYNAMFBC-SUTQANCOSA-N 1 0 400.527 0.778 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)co1 ZINC000534390378 1074607100 /nfs/dbraw/zinc/60/71/00/1074607100.db2.gz HXYKAUWKXITVHH-UHFFFAOYSA-N 1 0 422.507 0.751 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)co1 ZINC000534390843 1074606657 /nfs/dbraw/zinc/60/66/57/1074606657.db2.gz TUOABFPTBBYHCH-UHFFFAOYSA-N 1 0 408.480 0.409 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)co1 ZINC000534393131 1074607217 /nfs/dbraw/zinc/60/72/17/1074607217.db2.gz OCYUIKRLNRFNES-UHFFFAOYSA-N 1 0 403.501 0.875 20 0 HCADRO CC[NH+]1CCN(CC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CC1 ZINC000534395508 1074607643 /nfs/dbraw/zinc/60/76/43/1074607643.db2.gz MPUWDLSZJCSKNZ-UHFFFAOYSA-N 1 0 408.568 0.866 20 0 HCADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)ccc1=O ZINC000534400850 1074612444 /nfs/dbraw/zinc/61/24/44/1074612444.db2.gz LIEAMJPIHPRSHJ-UHFFFAOYSA-N 1 0 417.484 0.753 20 0 HCADRO COc1ccc(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1C(=O)N(C)C ZINC000534401271 1074612958 /nfs/dbraw/zinc/61/29/58/1074612958.db2.gz QKLTZSCAEBDBGR-UHFFFAOYSA-N 1 0 422.507 0.921 20 0 HCADRO COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000534401543 1074613107 /nfs/dbraw/zinc/61/31/07/1074613107.db2.gz KCPMYSJVZIZTRZ-UHFFFAOYSA-N 1 0 422.507 0.855 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)co1 ZINC000534402999 1074613751 /nfs/dbraw/zinc/61/37/51/1074613751.db2.gz PTOQBKUWRNDXOV-UHFFFAOYSA-N 1 0 406.508 0.865 20 0 HCADRO CNC(=O)c1ccc(S(=O)(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000534403830 1074613487 /nfs/dbraw/zinc/61/34/87/1074613487.db2.gz CYAXPTOOKGHSGS-JWTNVVGKSA-N 1 0 406.552 0.978 20 0 HCADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000534404914 1074613597 /nfs/dbraw/zinc/61/35/97/1074613597.db2.gz JXOOPFGRWBYCRB-INIZCTEOSA-N 1 0 402.561 0.011 20 0 HCADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000534404918 1074614149 /nfs/dbraw/zinc/61/41/49/1074614149.db2.gz JXOOPFGRWBYCRB-MRXNPFEDSA-N 1 0 402.561 0.011 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000534406357 1074614138 /nfs/dbraw/zinc/61/41/38/1074614138.db2.gz UFILKZHMJVPCRN-KRWDZBQOSA-N 1 0 415.581 0.958 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000534406358 1074614179 /nfs/dbraw/zinc/61/41/79/1074614179.db2.gz UFILKZHMJVPCRN-QGZVFWFLSA-N 1 0 415.581 0.958 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000534412158 1074611252 /nfs/dbraw/zinc/61/12/52/1074611252.db2.gz YEWMRMOTWJVJNL-VQTJNVASSA-N 1 0 406.571 0.890 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000534412159 1074611376 /nfs/dbraw/zinc/61/13/76/1074611376.db2.gz YEWMRMOTWJVJNL-WOJBJXKFSA-N 1 0 406.571 0.890 20 0 HCADRO Cc1cnn(Cc2cc(C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)no2)c1 ZINC000534414170 1074611208 /nfs/dbraw/zinc/61/12/08/1074611208.db2.gz GWXNLBOBUTWKBU-UHFFFAOYSA-N 1 0 407.438 0.867 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)co1 ZINC000534418032 1074611729 /nfs/dbraw/zinc/61/17/29/1074611729.db2.gz GZMUFXMXLLYNKD-UHFFFAOYSA-N 1 0 408.480 0.409 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)co1 ZINC000534422714 1074622441 /nfs/dbraw/zinc/62/24/41/1074622441.db2.gz QNFSZRZRDKBTRX-IBGZPJMESA-N 1 0 407.492 0.897 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)co1 ZINC000534422718 1074622535 /nfs/dbraw/zinc/62/25/35/1074622535.db2.gz QNFSZRZRDKBTRX-LJQANCHMSA-N 1 0 407.492 0.897 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000534422757 1074623091 /nfs/dbraw/zinc/62/30/91/1074623091.db2.gz RSKCETABXOYQFT-UHFFFAOYSA-N 1 0 400.501 0.202 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C1 ZINC000534429172 1074616613 /nfs/dbraw/zinc/61/66/13/1074616613.db2.gz FCVWVOYAXKNPML-INIZCTEOSA-N 1 0 407.490 0.812 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C1 ZINC000534429173 1074616528 /nfs/dbraw/zinc/61/65/28/1074616528.db2.gz FCVWVOYAXKNPML-MRXNPFEDSA-N 1 0 407.490 0.812 20 0 HCADRO COC(=O)CCSc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000534429897 1074616476 /nfs/dbraw/zinc/61/64/76/1074616476.db2.gz FSVOUHUWNWGWPV-HNNXBMFYSA-N 1 0 408.524 0.642 20 0 HCADRO COC(=O)CCSc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000534429898 1074616661 /nfs/dbraw/zinc/61/66/61/1074616661.db2.gz FSVOUHUWNWGWPV-OAHLLOKOSA-N 1 0 408.524 0.642 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccnn1Cc1ccccc1F ZINC000534430659 1074617314 /nfs/dbraw/zinc/61/73/14/1074617314.db2.gz VQMYXLYVZCVWIA-INIZCTEOSA-N 1 0 416.457 0.465 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccnn1Cc1ccccc1F ZINC000534430669 1074617221 /nfs/dbraw/zinc/61/72/21/1074617221.db2.gz VQMYXLYVZCVWIA-MRXNPFEDSA-N 1 0 416.457 0.465 20 0 HCADRO COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c(OC)c1 ZINC000534431044 1074617245 /nfs/dbraw/zinc/61/72/45/1074617245.db2.gz BKTUYBRKTZRVMT-AWEZNQCLSA-N 1 0 401.467 0.955 20 0 HCADRO COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c(OC)c1 ZINC000534431045 1074617358 /nfs/dbraw/zinc/61/73/58/1074617358.db2.gz BKTUYBRKTZRVMT-CQSZACIVSA-N 1 0 401.467 0.955 20 0 HCADRO COCCC(=O)N1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000534443101 1074623995 /nfs/dbraw/zinc/62/39/95/1074623995.db2.gz RRJYUTAUTFZOSB-YOFSQIOKSA-N 1 0 421.586 0.966 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000534444066 1074624762 /nfs/dbraw/zinc/62/47/62/1074624762.db2.gz OAWCYQJJFKTXRD-YOFSQIOKSA-N 1 0 420.602 0.491 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000534444087 1074624579 /nfs/dbraw/zinc/62/45/79/1074624579.db2.gz OMDMSMBXHAGYJQ-GOSISDBHSA-N 1 0 422.961 0.852 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000534444088 1074624773 /nfs/dbraw/zinc/62/47/73/1074624773.db2.gz OMDMSMBXHAGYJQ-SFHVURJKSA-N 1 0 422.961 0.852 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000534446352 1074624620 /nfs/dbraw/zinc/62/46/20/1074624620.db2.gz CATARXBFLRKFNJ-DFNIBXOVSA-N 1 0 406.575 0.149 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCC1CCS(=O)(=O)CC1 ZINC000534447441 1074625246 /nfs/dbraw/zinc/62/52/46/1074625246.db2.gz IIFGIYCABJETRR-UHFFFAOYSA-N 1 0 424.571 0.503 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000534447614 1074625271 /nfs/dbraw/zinc/62/52/71/1074625271.db2.gz RCDBDUVWIPGHIZ-INIZCTEOSA-N 1 0 406.506 0.337 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000534447616 1074625043 /nfs/dbraw/zinc/62/50/43/1074625043.db2.gz RCDBDUVWIPGHIZ-MRXNPFEDSA-N 1 0 406.506 0.337 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC2CCS(=O)(=O)CC2)c1 ZINC000534448982 1074625089 /nfs/dbraw/zinc/62/50/89/1074625089.db2.gz ZTNWTDYTRACSKX-UHFFFAOYSA-N 1 0 410.540 0.602 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)CC1=O ZINC000534449065 1074625069 /nfs/dbraw/zinc/62/50/69/1074625069.db2.gz YFVPSQACQBKDDY-INIZCTEOSA-N 1 0 419.501 0.319 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)CC1=O ZINC000534449066 1074625003 /nfs/dbraw/zinc/62/50/03/1074625003.db2.gz YFVPSQACQBKDDY-MRXNPFEDSA-N 1 0 419.501 0.319 20 0 HCADRO COCCNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000534474215 1074630714 /nfs/dbraw/zinc/63/07/14/1074630714.db2.gz ITAWUFWTVDTOJL-SFHVURJKSA-N 1 0 420.558 0.810 20 0 HCADRO COCCNC(=O)[C@H](CC(C)C)NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000534483528 1074629984 /nfs/dbraw/zinc/62/99/84/1074629984.db2.gz TZOSLVIIRNUJCD-SFHVURJKSA-N 1 0 420.558 0.810 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000534488081 1074630629 /nfs/dbraw/zinc/63/06/29/1074630629.db2.gz BHZZSQOSPPCXPA-AWEZNQCLSA-N 1 0 424.299 0.671 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000534488089 1074630755 /nfs/dbraw/zinc/63/07/55/1074630755.db2.gz BHZZSQOSPPCXPA-CQSZACIVSA-N 1 0 424.299 0.671 20 0 HCADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)C2=O ZINC000534489030 1074635970 /nfs/dbraw/zinc/63/59/70/1074635970.db2.gz OABOYEKUGLAHRT-JLTOFOAXSA-N 1 0 403.483 0.849 20 0 HCADRO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)C2=O ZINC000534489042 1074635805 /nfs/dbraw/zinc/63/58/05/1074635805.db2.gz OABOYEKUGLAHRT-VBKZILBWSA-N 1 0 403.483 0.849 20 0 HCADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)C2=O ZINC000534489047 1074635983 /nfs/dbraw/zinc/63/59/83/1074635983.db2.gz OABOYEKUGLAHRT-VLIAUNLRSA-N 1 0 403.483 0.849 20 0 HCADRO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)C2=O ZINC000534489050 1074635888 /nfs/dbraw/zinc/63/58/88/1074635888.db2.gz OABOYEKUGLAHRT-XOBRGWDASA-N 1 0 403.483 0.849 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000534489322 1074635783 /nfs/dbraw/zinc/63/57/83/1074635783.db2.gz QRCTUJCXBMMKBU-AWEZNQCLSA-N 1 0 424.299 0.671 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000534489324 1074635882 /nfs/dbraw/zinc/63/58/82/1074635882.db2.gz QRCTUJCXBMMKBU-CQSZACIVSA-N 1 0 424.299 0.671 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccnn2Cc2ccccc2F)CC1 ZINC000534491815 1074631194 /nfs/dbraw/zinc/63/11/94/1074631194.db2.gz TYGPOTFLQBFBJD-UHFFFAOYSA-N 1 0 402.474 0.763 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)ccc1=O ZINC000534492049 1074636767 /nfs/dbraw/zinc/63/67/67/1074636767.db2.gz IPWCLHXFCQUTPJ-UHFFFAOYSA-N 1 0 412.537 0.815 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)ccc1=O ZINC000534492411 1074636240 /nfs/dbraw/zinc/63/62/40/1074636240.db2.gz APSOEUOYYCRTHF-UHFFFAOYSA-N 1 0 400.483 0.918 20 0 HCADRO CCC1(CC)NC(=O)N(CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000534492646 1074631674 /nfs/dbraw/zinc/63/16/74/1074631674.db2.gz AXRPKDSCUHTPCY-SJPCQFCGSA-N 1 0 405.543 0.866 20 0 HCADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000534493014 1074631238 /nfs/dbraw/zinc/63/12/38/1074631238.db2.gz KDFJKBZXEBRYKQ-HTUJPFKRSA-N 1 0 412.600 0.818 20 0 HCADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000534493016 1074631212 /nfs/dbraw/zinc/63/12/12/1074631212.db2.gz KDFJKBZXEBRYKQ-KAKFPZCNSA-N 1 0 412.600 0.818 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2)CC1 ZINC000534501762 1074634402 /nfs/dbraw/zinc/63/44/02/1074634402.db2.gz CAJWYGOJXSNSLI-INIZCTEOSA-N 1 0 414.510 0.147 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2)CC1 ZINC000534501763 1074634356 /nfs/dbraw/zinc/63/43/56/1074634356.db2.gz CAJWYGOJXSNSLI-MRXNPFEDSA-N 1 0 414.510 0.147 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)C2)CC1 ZINC000534502363 1074633841 /nfs/dbraw/zinc/63/38/41/1074633841.db2.gz KHAKBPGATTVPCB-KRWDZBQOSA-N 1 0 422.551 0.865 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)C2)CC1 ZINC000534502364 1074633791 /nfs/dbraw/zinc/63/37/91/1074633791.db2.gz KHAKBPGATTVPCB-QGZVFWFLSA-N 1 0 422.551 0.865 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)C2)CC1 ZINC000534502613 1074634721 /nfs/dbraw/zinc/63/47/21/1074634721.db2.gz KALCYWOINSVAOV-HNNXBMFYSA-N 1 0 402.499 0.291 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)C2)CC1 ZINC000534502616 1074634744 /nfs/dbraw/zinc/63/47/44/1074634744.db2.gz KALCYWOINSVAOV-OAHLLOKOSA-N 1 0 402.499 0.291 20 0 HCADRO COCCn1cc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000534502998 1074634299 /nfs/dbraw/zinc/63/42/99/1074634299.db2.gz QGGHZLDVVRUUJS-JWTNVVGKSA-N 1 0 404.515 0.237 20 0 HCADRO CN(C)c1ccc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000534503477 1074634683 /nfs/dbraw/zinc/63/46/83/1074634683.db2.gz BBKHLTZEHATRAU-JWTNVVGKSA-N 1 0 400.527 0.856 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1-n1cnnn1 ZINC000534505401 1074635330 /nfs/dbraw/zinc/63/53/30/1074635330.db2.gz ZJQYTKYJCUXHNW-HNNXBMFYSA-N 1 0 413.482 0.800 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1-n1cnnn1 ZINC000534505402 1074635321 /nfs/dbraw/zinc/63/53/21/1074635321.db2.gz ZJQYTKYJCUXHNW-OAHLLOKOSA-N 1 0 413.482 0.800 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)CC1 ZINC000534507340 1074639067 /nfs/dbraw/zinc/63/90/67/1074639067.db2.gz RBISNQGZRJBIKR-IAGOWNOFSA-N 1 0 407.559 0.877 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)CC1 ZINC000534507346 1074638982 /nfs/dbraw/zinc/63/89/82/1074638982.db2.gz RBISNQGZRJBIKR-IRXDYDNUSA-N 1 0 407.559 0.877 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)CC1 ZINC000534507347 1074639081 /nfs/dbraw/zinc/63/90/81/1074639081.db2.gz RBISNQGZRJBIKR-UPHUGPLXSA-N 1 0 407.559 0.877 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cncc(I)c2)CC1 ZINC000534507774 1074639514 /nfs/dbraw/zinc/63/95/14/1074639514.db2.gz AQOYWBATLQCJNZ-UHFFFAOYSA-N 1 0 402.236 0.532 20 0 HCADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1S(=O)(=O)N(C)C ZINC000534514681 1074637241 /nfs/dbraw/zinc/63/72/41/1074637241.db2.gz MKIGHNUKRRJLEL-CABCVRRESA-N 1 0 424.523 0.627 20 0 HCADRO COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1S(=O)(=O)N(C)C ZINC000534514682 1074637345 /nfs/dbraw/zinc/63/73/45/1074637345.db2.gz MKIGHNUKRRJLEL-GJZGRUSLSA-N 1 0 424.523 0.627 20 0 HCADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1S(=O)(=O)N(C)C ZINC000534514683 1074637501 /nfs/dbraw/zinc/63/75/01/1074637501.db2.gz MKIGHNUKRRJLEL-HUUCEWRRSA-N 1 0 424.523 0.627 20 0 HCADRO COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1S(=O)(=O)N(C)C ZINC000534514684 1074637440 /nfs/dbraw/zinc/63/74/40/1074637440.db2.gz MKIGHNUKRRJLEL-LSDHHAIUSA-N 1 0 424.523 0.627 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)ccc1OC ZINC000534516416 1074637314 /nfs/dbraw/zinc/63/73/14/1074637314.db2.gz FNZJLWLFRMYCOU-UHFFFAOYSA-N 1 0 408.480 0.579 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1 ZINC000534517559 1074637806 /nfs/dbraw/zinc/63/78/06/1074637806.db2.gz MWGNGHWZRWSRHD-UHFFFAOYSA-N 1 0 422.507 0.587 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)CNC(=O)c2cnc3ccccc3c2O)ccc1=O ZINC000534518182 1074637831 /nfs/dbraw/zinc/63/78/31/1074637831.db2.gz KJZSJOKQHKCXBM-UHFFFAOYSA-N 1 0 409.446 0.620 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)ccc1=O ZINC000534518692 1074637924 /nfs/dbraw/zinc/63/79/24/1074637924.db2.gz BNZFGRBRMJGGGV-UHFFFAOYSA-N 1 0 403.464 0.713 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)ccc1=O ZINC000534518891 1074637704 /nfs/dbraw/zinc/63/77/04/1074637704.db2.gz IMOLZRBMUMKXBA-UHFFFAOYSA-N 1 0 423.495 0.011 20 0 HCADRO COc1ccc(NC(=O)CSCC[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000534520078 1074637867 /nfs/dbraw/zinc/63/78/67/1074637867.db2.gz XCIWYXGMVQQFHO-UHFFFAOYSA-N 1 0 417.553 0.949 20 0 HCADRO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCNc1cc[nH+]cc1 ZINC000534522057 1074638500 /nfs/dbraw/zinc/63/85/00/1074638500.db2.gz QENLCQQVKWHJAT-UHFFFAOYSA-N 1 0 418.519 0.685 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)Cc1ccccc1 ZINC000534522345 1074638428 /nfs/dbraw/zinc/63/84/28/1074638428.db2.gz WMZRZORVPYVDQD-GOSISDBHSA-N 1 0 424.505 0.245 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)Cc1ccccc1 ZINC000534522346 1074638330 /nfs/dbraw/zinc/63/83/30/1074638330.db2.gz WMZRZORVPYVDQD-SFHVURJKSA-N 1 0 424.505 0.245 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC(=O)NCc2ccco2)c1 ZINC000534523989 1074639039 /nfs/dbraw/zinc/63/90/39/1074639039.db2.gz WJGBSVDRYQSFID-UHFFFAOYSA-N 1 0 401.467 0.687 20 0 HCADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000534524300 1074639031 /nfs/dbraw/zinc/63/90/31/1074639031.db2.gz NAZBCFBJHUFNGD-IBGZPJMESA-N 1 0 403.527 0.539 20 0 HCADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000534524303 1074639052 /nfs/dbraw/zinc/63/90/52/1074639052.db2.gz NAZBCFBJHUFNGD-LJQANCHMSA-N 1 0 403.527 0.539 20 0 HCADRO COCCNS(=O)(=O)c1cccc(CNC(=O)NCCNc2cc[nH+]cc2)c1 ZINC000534525550 1074645211 /nfs/dbraw/zinc/64/52/11/1074645211.db2.gz GSZMPPBLCFHXSE-UHFFFAOYSA-N 1 0 407.496 0.340 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000534525900 1074645758 /nfs/dbraw/zinc/64/57/58/1074645758.db2.gz FHSHRSNIHAVQON-UHFFFAOYSA-N 1 0 411.528 0.188 20 0 HCADRO CN(C)C(=O)COc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1Cl ZINC000534525944 1074645887 /nfs/dbraw/zinc/64/58/87/1074645887.db2.gz GORJLSOHXHTMKB-UHFFFAOYSA-N 1 0 419.869 0.791 20 0 HCADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCCNc2cc[nH+]cc2)c2ccccc2O1 ZINC000534526007 1074645841 /nfs/dbraw/zinc/64/58/41/1074645841.db2.gz IWKZXUSZSFKJGL-GOSISDBHSA-N 1 0 411.462 0.352 20 0 HCADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCCNc2cc[nH+]cc2)c2ccccc2O1 ZINC000534526008 1074645903 /nfs/dbraw/zinc/64/59/03/1074645903.db2.gz IWKZXUSZSFKJGL-SFHVURJKSA-N 1 0 411.462 0.352 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000534526175 1074645154 /nfs/dbraw/zinc/64/51/54/1074645154.db2.gz MVFYDFVTGXJJTM-INIZCTEOSA-N 1 0 422.482 0.701 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000534526176 1074645165 /nfs/dbraw/zinc/64/51/65/1074645165.db2.gz MVFYDFVTGXJJTM-MRXNPFEDSA-N 1 0 422.482 0.701 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000534526197 1074645728 /nfs/dbraw/zinc/64/57/28/1074645728.db2.gz OEXFNHNREHOUDT-UHFFFAOYSA-N 1 0 403.464 0.111 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000534526203 1074645849 /nfs/dbraw/zinc/64/58/49/1074645849.db2.gz OPYRHJTUTKYPAO-UHFFFAOYSA-N 1 0 405.480 0.758 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000534526254 1074645907 /nfs/dbraw/zinc/64/59/07/1074645907.db2.gz RGHRFIPLQMSCTG-UHFFFAOYSA-N 1 0 413.503 0.859 20 0 HCADRO CC[C@@H]1CN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1CCOC ZINC000534526278 1074645925 /nfs/dbraw/zinc/64/59/25/1074645925.db2.gz RYQAZTAALNLTFN-GOSISDBHSA-N 1 0 405.547 0.351 20 0 HCADRO CC[C@H]1CN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1CCOC ZINC000534526279 1074645786 /nfs/dbraw/zinc/64/57/86/1074645786.db2.gz RYQAZTAALNLTFN-SFHVURJKSA-N 1 0 405.547 0.351 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000534526424 1074645299 /nfs/dbraw/zinc/64/52/99/1074645299.db2.gz VLMBLDCGTXKQIS-UHFFFAOYSA-N 1 0 418.457 0.995 20 0 HCADRO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000534526438 1074645157 /nfs/dbraw/zinc/64/51/57/1074645157.db2.gz WDPOAKKYNQDCER-UHFFFAOYSA-N 1 0 419.507 0.699 20 0 HCADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NCC[NH+](C)C)ccc1Cl ZINC000534526608 1074646220 /nfs/dbraw/zinc/64/62/20/1074646220.db2.gz ZQTNZVYREYENML-UHFFFAOYSA-N 1 0 404.920 0.987 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1C ZINC000534526761 1074646210 /nfs/dbraw/zinc/64/62/10/1074646210.db2.gz HPWTVHFVTSCELT-UHFFFAOYSA-N 1 0 405.480 0.740 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000534526796 1074646227 /nfs/dbraw/zinc/64/62/27/1074646227.db2.gz JDMJYJKGGFIAPY-UHFFFAOYSA-N 1 0 421.454 0.250 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000534526878 1074646149 /nfs/dbraw/zinc/64/61/49/1074646149.db2.gz MTZQKSXOCOPRAL-UHFFFAOYSA-N 1 0 421.454 0.349 20 0 HCADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)cc2)CC1 ZINC000534527035 1074646183 /nfs/dbraw/zinc/64/61/83/1074646183.db2.gz VAAJBXCQJIVHPP-UHFFFAOYSA-N 1 0 410.478 0.058 20 0 HCADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCN1CCN(c2ncccn2)CC1 ZINC000534527156 1074646192 /nfs/dbraw/zinc/64/61/92/1074646192.db2.gz ARAUBMQWPWLSHX-UHFFFAOYSA-N 1 0 424.553 0.322 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000534528068 1074646931 /nfs/dbraw/zinc/64/69/31/1074646931.db2.gz DJINLQCETZSKEG-IBGZPJMESA-N 1 0 405.543 0.249 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000534528069 1074646867 /nfs/dbraw/zinc/64/68/67/1074646867.db2.gz DJINLQCETZSKEG-LJQANCHMSA-N 1 0 405.543 0.249 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000534529316 1074646942 /nfs/dbraw/zinc/64/69/42/1074646942.db2.gz CDTNWRRLNALAEO-FQEVSTJZSA-N 1 0 417.554 0.345 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000534529317 1074646826 /nfs/dbraw/zinc/64/68/26/1074646826.db2.gz CDTNWRRLNALAEO-HXUWFJFHSA-N 1 0 417.554 0.345 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)C2)CC1 ZINC000534530633 1074647404 /nfs/dbraw/zinc/64/74/04/1074647404.db2.gz KFGFWEKUQVDNDK-IBGZPJMESA-N 1 0 401.559 0.972 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)C2)CC1 ZINC000534530634 1074647294 /nfs/dbraw/zinc/64/72/94/1074647294.db2.gz KFGFWEKUQVDNDK-LJQANCHMSA-N 1 0 401.559 0.972 20 0 HCADRO COc1ccc(Cn2nccc2NC(=O)C(=O)NCCNc2cc[nH+]cc2)c(OC)c1 ZINC000534530658 1074647502 /nfs/dbraw/zinc/64/75/02/1074647502.db2.gz MQKWHWVENOKHAY-UHFFFAOYSA-N 1 0 424.461 0.932 20 0 HCADRO CCS(=O)(=O)N1CCC(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000534531662 1074647325 /nfs/dbraw/zinc/64/73/25/1074647325.db2.gz VIIOZGTUQWEBOQ-UHFFFAOYSA-N 1 0 409.556 0.524 20 0 HCADRO COc1cccc(Cn2nccc2NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1OC ZINC000534536189 1074642109 /nfs/dbraw/zinc/64/21/09/1074642109.db2.gz ZYDFXTKLTGFHCU-FQEVSTJZSA-N 1 0 419.482 0.316 20 0 HCADRO COc1cccc(Cn2nccc2NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1OC ZINC000534536190 1074642690 /nfs/dbraw/zinc/64/26/90/1074642690.db2.gz ZYDFXTKLTGFHCU-HXUWFJFHSA-N 1 0 419.482 0.316 20 0 HCADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000534537245 1074642722 /nfs/dbraw/zinc/64/27/22/1074642722.db2.gz BMMDHNKYXHTXSH-AWEZNQCLSA-N 1 0 400.487 0.486 20 0 HCADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000534537246 1074642662 /nfs/dbraw/zinc/64/26/62/1074642662.db2.gz BMMDHNKYXHTXSH-CQSZACIVSA-N 1 0 400.487 0.486 20 0 HCADRO Cn1cc([C@H](CO)NC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000534537752 1074642624 /nfs/dbraw/zinc/64/26/24/1074642624.db2.gz NDKKEKYDPGHWJH-FQEVSTJZSA-N 1 0 400.527 0.961 20 0 HCADRO Cn1cc([C@@H](CO)NC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000534537754 1074642749 /nfs/dbraw/zinc/64/27/49/1074642749.db2.gz NDKKEKYDPGHWJH-HXUWFJFHSA-N 1 0 400.527 0.961 20 0 HCADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000534537969 1074642736 /nfs/dbraw/zinc/64/27/36/1074642736.db2.gz QURNAYUQVRGOLP-HNNXBMFYSA-N 1 0 414.514 0.876 20 0 HCADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000534537970 1074642698 /nfs/dbraw/zinc/64/26/98/1074642698.db2.gz QURNAYUQVRGOLP-OAHLLOKOSA-N 1 0 414.514 0.876 20 0 HCADRO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)OCC(=O)N2)[C@H]1CCS(=O)(=O)C1 ZINC000534540589 1074644305 /nfs/dbraw/zinc/64/43/05/1074644305.db2.gz BCUJBWCXBHHXQQ-HNNXBMFYSA-N 1 0 409.508 0.989 20 0 HCADRO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)OCC(=O)N2)[C@@H]1CCS(=O)(=O)C1 ZINC000534540591 1074644253 /nfs/dbraw/zinc/64/42/53/1074644253.db2.gz BCUJBWCXBHHXQQ-OAHLLOKOSA-N 1 0 409.508 0.989 20 0 HCADRO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)NC)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000534540800 1074643638 /nfs/dbraw/zinc/64/36/38/1074643638.db2.gz GJVSMXQYZVYEAC-CYBMUJFWSA-N 1 0 421.541 0.159 20 0 HCADRO 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ZINC000534630218 1074668281 /nfs/dbraw/zinc/66/82/81/1074668281.db2.gz MFHUNPKQADQYHO-UHFFFAOYSA-N 1 0 417.503 0.281 20 0 HCADRO COC(=O)c1cc(F)ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000534631202 1074668209 /nfs/dbraw/zinc/66/82/09/1074668209.db2.gz BLQVAKWDUWMYEF-GFCCVEGCSA-N 1 0 401.460 0.478 20 0 HCADRO COC(=O)c1cc(F)ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000534631203 1074668359 /nfs/dbraw/zinc/66/83/59/1074668359.db2.gz BLQVAKWDUWMYEF-LBPRGKRZSA-N 1 0 401.460 0.478 20 0 HCADRO Cc1c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cnn1CCO[C@H]1CCCCO1 ZINC000534632568 1074668408 /nfs/dbraw/zinc/66/84/08/1074668408.db2.gz FOGNEMQCFIHPAZ-IBGZPJMESA-N 1 0 407.515 0.581 20 0 HCADRO Cc1c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cnn1CCO[C@@H]1CCCCO1 ZINC000534632569 1074668268 /nfs/dbraw/zinc/66/82/68/1074668268.db2.gz FOGNEMQCFIHPAZ-LJQANCHMSA-N 1 0 407.515 0.581 20 0 HCADRO COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000534634402 1074668801 /nfs/dbraw/zinc/66/88/01/1074668801.db2.gz CZGJNZCPFWBOOJ-HNNXBMFYSA-N 1 0 417.503 0.983 20 0 HCADRO C[N@@H+]1CC[C@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@H]1c1ccccc1 ZINC000534635669 1074668896 /nfs/dbraw/zinc/66/88/96/1074668896.db2.gz BFFAQUHASBCYKB-DLBZAZTESA-N 1 0 407.496 0.839 20 0 HCADRO C[N@@H+]1CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@H]1c1ccccc1 ZINC000534635670 1074668922 /nfs/dbraw/zinc/66/89/22/1074668922.db2.gz BFFAQUHASBCYKB-IAGOWNOFSA-N 1 0 407.496 0.839 20 0 HCADRO C[N@@H+]1CC[C@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@@H]1c1ccccc1 ZINC000534635671 1074669355 /nfs/dbraw/zinc/66/93/55/1074669355.db2.gz BFFAQUHASBCYKB-IRXDYDNUSA-N 1 0 407.496 0.839 20 0 HCADRO C[N@@H+]1CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@@H]1c1ccccc1 ZINC000534635672 1074669396 /nfs/dbraw/zinc/66/93/96/1074669396.db2.gz BFFAQUHASBCYKB-SJORKVTESA-N 1 0 407.496 0.839 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCC[NH+](C)C ZINC000534648059 1074667883 /nfs/dbraw/zinc/66/78/83/1074667883.db2.gz BZXCMGGMNCBNMZ-AWEZNQCLSA-N 1 0 412.512 0.502 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)NCC[NH+](C)C ZINC000534651287 1074669781 /nfs/dbraw/zinc/66/97/81/1074669781.db2.gz FNODDNOCDAXCHK-HOCLYGCPSA-N 1 0 401.533 0.215 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)NCC[NH+](C)C ZINC000534651288 1074669808 /nfs/dbraw/zinc/66/98/08/1074669808.db2.gz FNODDNOCDAXCHK-ZBFHGGJFSA-N 1 0 401.533 0.215 20 0 HCADRO CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000534651449 1074669382 /nfs/dbraw/zinc/66/93/82/1074669382.db2.gz OJEIEQIRBGWMAG-SFHVURJKSA-N 1 0 412.556 0.694 20 0 HCADRO Cc1c(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cnn1-c1ccccn1 ZINC000534651469 1074669249 /nfs/dbraw/zinc/66/92/49/1074669249.db2.gz PJJOEGUHPMENQV-INIZCTEOSA-N 1 0 422.555 0.947 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)NCC[NH+](C)C ZINC000534652849 1074669839 /nfs/dbraw/zinc/66/98/39/1074669839.db2.gz UEYVTJQGMYLKSG-INIZCTEOSA-N 1 0 419.569 0.461 20 0 HCADRO CC(C)C[C@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)C(=O)NCC[NH+](C)C ZINC000534655686 1074670217 /nfs/dbraw/zinc/67/02/17/1074670217.db2.gz SUWDSFIXCPULOE-SFHVURJKSA-N 1 0 420.558 0.810 20 0 HCADRO CC(C)C[C@H](NC(=O)NCc1cccnc1N1CCOCC1)C(=O)NCC[NH+](C)C ZINC000534657249 1074670396 /nfs/dbraw/zinc/67/03/96/1074670396.db2.gz TUQWONOHWKNTSY-SFHVURJKSA-N 1 0 420.558 0.810 20 0 HCADRO CC(C)C[C@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)C(=O)NCC[NH+](C)C ZINC000534658539 1074670347 /nfs/dbraw/zinc/67/03/47/1074670347.db2.gz QSJHJVTYHHJIIV-SFHVURJKSA-N 1 0 420.558 0.810 20 0 HCADRO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000534661370 1074670751 /nfs/dbraw/zinc/67/07/51/1074670751.db2.gz GOQCUZAFFLHCOH-NRFANRHFSA-N 1 0 402.539 0.466 20 0 HCADRO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000534661371 1074670814 /nfs/dbraw/zinc/67/08/14/1074670814.db2.gz GOQCUZAFFLHCOH-OAQYLSRUSA-N 1 0 402.539 0.466 20 0 HCADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000534662141 1074670765 /nfs/dbraw/zinc/67/07/65/1074670765.db2.gz HHYKTYWYALEITJ-UHFFFAOYSA-N 1 0 418.585 0.118 20 0 HCADRO CN1C(=O)N(CC(=O)NCCCC[NH+]2CCN(CCO)CC2)C(=O)C12CCCCC2 ZINC000534662193 1074670778 /nfs/dbraw/zinc/67/07/78/1074670778.db2.gz IUODVHSPUYJGBV-UHFFFAOYSA-N 1 0 423.558 0.090 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000534663545 1074670852 /nfs/dbraw/zinc/67/08/52/1074670852.db2.gz CPWDKYSDBQVUQV-IBGZPJMESA-N 1 0 406.502 0.685 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000534663546 1074671544 /nfs/dbraw/zinc/67/15/44/1074671544.db2.gz CPWDKYSDBQVUQV-LJQANCHMSA-N 1 0 406.502 0.685 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000534663721 1074671593 /nfs/dbraw/zinc/67/15/93/1074671593.db2.gz NJVXQGPENPXSFG-KRWDZBQOSA-N 1 0 406.502 0.685 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000534663722 1074671641 /nfs/dbraw/zinc/67/16/41/1074671641.db2.gz NJVXQGPENPXSFG-QGZVFWFLSA-N 1 0 406.502 0.685 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1ccc(-n2cnnn2)cc1Cl ZINC000534664075 1074671583 /nfs/dbraw/zinc/67/15/83/1074671583.db2.gz BSLPXPIIGSTOEM-UHFFFAOYSA-N 1 0 407.906 0.436 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000534664100 1074671495 /nfs/dbraw/zinc/67/14/95/1074671495.db2.gz CNFPSJMYQYEAFC-INIZCTEOSA-N 1 0 424.492 0.824 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000534664101 1074671616 /nfs/dbraw/zinc/67/16/16/1074671616.db2.gz CNFPSJMYQYEAFC-MRXNPFEDSA-N 1 0 424.492 0.824 20 0 HCADRO O=C(CCN1C(=O)CCc2ccccc21)NCCCC[NH+]1CCN(CCO)CC1 ZINC000534664398 1074671560 /nfs/dbraw/zinc/67/15/60/1074671560.db2.gz POMKBCAUZOTWEK-UHFFFAOYSA-N 1 0 402.539 0.862 20 0 HCADRO Cc1c(CC(=O)NCCCC[NH+]2CCN(CCO)CC2)nnn1-c1ccccc1 ZINC000534664896 1074672278 /nfs/dbraw/zinc/67/22/78/1074672278.db2.gz DAEFLURFWZQJIH-UHFFFAOYSA-N 1 0 400.527 0.625 20 0 HCADRO C[C@@H]1CN(c2ccc(C(=O)NCCCC[NH+]3CCN(CCO)CC3)cn2)C[C@H](C)O1 ZINC000534665109 1074671413 /nfs/dbraw/zinc/67/14/13/1074671413.db2.gz MDYLPDDSJOWMCN-KDURUIRLSA-N 1 0 419.570 0.815 20 0 HCADRO C[C@H]1CN(c2ccc(C(=O)NCCCC[NH+]3CCN(CCO)CC3)cn2)C[C@H](C)O1 ZINC000534665110 1074671440 /nfs/dbraw/zinc/67/14/40/1074671440.db2.gz MDYLPDDSJOWMCN-OALUTQOASA-N 1 0 419.570 0.815 20 0 HCADRO C[C@@H]1CN(c2ccc(C(=O)NCCCC[NH+]3CCN(CCO)CC3)cn2)C[C@@H](C)O1 ZINC000534665111 1074671523 /nfs/dbraw/zinc/67/15/23/1074671523.db2.gz MDYLPDDSJOWMCN-RTBURBONSA-N 1 0 419.570 0.815 20 0 HCADRO CC(C)S(=O)(=O)c1ccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1 ZINC000534665197 1074671399 /nfs/dbraw/zinc/67/13/99/1074671399.db2.gz QNZKIZZZNJQZLQ-UHFFFAOYSA-N 1 0 411.568 0.989 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1ccccc1CN1CCOCC1 ZINC000534665231 1074671481 /nfs/dbraw/zinc/67/14/81/1074671481.db2.gz SOOVEALTDCROKK-UHFFFAOYSA-N 1 0 404.555 0.639 20 0 HCADRO Cc1c(CC(=O)NCCCC[NH+]2CCN(CCO)CC2)nnn1-c1ccc(C)cc1 ZINC000534665319 1074671375 /nfs/dbraw/zinc/67/13/75/1074671375.db2.gz XVSRTHJYJBUYSH-UHFFFAOYSA-N 1 0 414.554 0.933 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000534665940 1074672259 /nfs/dbraw/zinc/67/22/59/1074672259.db2.gz SJJDXYOVFZMCOY-INIZCTEOSA-N 1 0 424.492 0.824 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000534665941 1074672190 /nfs/dbraw/zinc/67/21/90/1074672190.db2.gz SJJDXYOVFZMCOY-MRXNPFEDSA-N 1 0 424.492 0.824 20 0 HCADRO CCS(=O)(=O)NCC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000534666615 1074672219 /nfs/dbraw/zinc/67/22/19/1074672219.db2.gz OCNXIXLQDWSUKI-UHFFFAOYSA-N 1 0 424.567 0.413 20 0 HCADRO Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000534666758 1074672249 /nfs/dbraw/zinc/67/22/49/1074672249.db2.gz USFBROPAVKTHKJ-UHFFFAOYSA-N 1 0 416.526 0.671 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)CC(C)(CO)CO)c1 ZINC000534670328 1074669237 /nfs/dbraw/zinc/66/92/37/1074669237.db2.gz GWOYKAWXQZNXBK-UHFFFAOYSA-N 1 0 421.947 0.842 20 0 HCADRO Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1C ZINC000534670642 1074669300 /nfs/dbraw/zinc/66/93/00/1074669300.db2.gz TUOHJZWWNDBPDF-UHFFFAOYSA-N 1 0 421.523 0.834 20 0 HCADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000534676691 1074675665 /nfs/dbraw/zinc/67/56/65/1074675665.db2.gz UVYGBKNDGJBKKC-DLBZAZTESA-N 1 0 402.476 0.834 20 0 HCADRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000534676693 1074675678 /nfs/dbraw/zinc/67/56/78/1074675678.db2.gz UVYGBKNDGJBKKC-IAGOWNOFSA-N 1 0 402.476 0.834 20 0 HCADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000534676696 1074675542 /nfs/dbraw/zinc/67/55/42/1074675542.db2.gz UVYGBKNDGJBKKC-IRXDYDNUSA-N 1 0 402.476 0.834 20 0 HCADRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000534676697 1074675728 /nfs/dbraw/zinc/67/57/28/1074675728.db2.gz UVYGBKNDGJBKKC-SJORKVTESA-N 1 0 402.476 0.834 20 0 HCADRO 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0.728 20 0 HCADRO CN(C)C(=O)Cn1cc(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1 ZINC000534824284 1074707550 /nfs/dbraw/zinc/70/75/50/1074707550.db2.gz UWTACOLTWVXFJV-QZTJIDSGSA-N 1 0 400.483 0.728 20 0 HCADRO CN(C)C(=O)Cn1cc(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1 ZINC000534824286 1074707984 /nfs/dbraw/zinc/70/79/84/1074707984.db2.gz UWTACOLTWVXFJV-ROUUACIJSA-N 1 0 400.483 0.728 20 0 HCADRO CN(C)C(=O)Cn1cc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1 ZINC000534824288 1074707792 /nfs/dbraw/zinc/70/77/92/1074707792.db2.gz UWTACOLTWVXFJV-ZWKOTPCHSA-N 1 0 400.483 0.728 20 0 HCADRO CS[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C[C@H]1[NH+](C)C ZINC000534827629 1074708719 /nfs/dbraw/zinc/70/87/19/1074708719.db2.gz DHIRGCUCWRDEMH-CVEARBPZSA-N 1 0 413.565 0.825 20 0 HCADRO CS[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C[C@@H]1[NH+](C)C ZINC000534827630 1074708748 /nfs/dbraw/zinc/70/87/48/1074708748.db2.gz DHIRGCUCWRDEMH-HOTGVXAUSA-N 1 0 413.565 0.825 20 0 HCADRO CS[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C[C@H]1[NH+](C)C ZINC000534827631 1074708594 /nfs/dbraw/zinc/70/85/94/1074708594.db2.gz DHIRGCUCWRDEMH-HZPDHXFCSA-N 1 0 413.565 0.825 20 0 HCADRO CS[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C[C@@H]1[NH+](C)C ZINC000534827632 1074708627 /nfs/dbraw/zinc/70/86/27/1074708627.db2.gz DHIRGCUCWRDEMH-JKSUJKDBSA-N 1 0 413.565 0.825 20 0 HCADRO COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000534829164 1074709441 /nfs/dbraw/zinc/70/94/41/1074709441.db2.gz BJLPQRDIZUZUQO-CVEARBPZSA-N 1 0 401.554 0.729 20 0 HCADRO COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000534829168 1074709160 /nfs/dbraw/zinc/70/91/60/1074709160.db2.gz BJLPQRDIZUZUQO-HOTGVXAUSA-N 1 0 401.554 0.729 20 0 HCADRO COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000534829169 1074709390 /nfs/dbraw/zinc/70/93/90/1074709390.db2.gz BJLPQRDIZUZUQO-HZPDHXFCSA-N 1 0 401.554 0.729 20 0 HCADRO COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000534829171 1074709262 /nfs/dbraw/zinc/70/92/62/1074709262.db2.gz BJLPQRDIZUZUQO-JKSUJKDBSA-N 1 0 401.554 0.729 20 0 HCADRO CS[C@H]1CN(C(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)C[C@H]1[NH+](C)C ZINC000534829193 1074709454 /nfs/dbraw/zinc/70/94/54/1074709454.db2.gz CPMKHBCVMYETHT-BDAKNGLRSA-N 1 0 404.422 0.830 20 0 HCADRO CS[C@@H]1CN(C(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)C[C@@H]1[NH+](C)C ZINC000534829194 1074709331 /nfs/dbraw/zinc/70/93/31/1074709331.db2.gz CPMKHBCVMYETHT-DTWKUNHWSA-N 1 0 404.422 0.830 20 0 HCADRO CS[C@H]1CN(C(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)C[C@@H]1[NH+](C)C ZINC000534829195 1074709222 /nfs/dbraw/zinc/70/92/22/1074709222.db2.gz CPMKHBCVMYETHT-IUCAKERBSA-N 1 0 404.422 0.830 20 0 HCADRO CS[C@@H]1CN(C(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)C[C@H]1[NH+](C)C ZINC000534829196 1074709096 /nfs/dbraw/zinc/70/90/96/1074709096.db2.gz CPMKHBCVMYETHT-RKDXNWHRSA-N 1 0 404.422 0.830 20 0 HCADRO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000534832349 1074710206 /nfs/dbraw/zinc/71/02/06/1074710206.db2.gz OEDAZDOALUKPBO-HNNXBMFYSA-N 1 0 406.446 0.991 20 0 HCADRO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000534832350 1074710667 /nfs/dbraw/zinc/71/06/67/1074710667.db2.gz OEDAZDOALUKPBO-OAHLLOKOSA-N 1 0 406.446 0.991 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534832501 1074710122 /nfs/dbraw/zinc/71/01/22/1074710122.db2.gz URUMXMGKEHJSDR-AWEZNQCLSA-N 1 0 401.467 0.103 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534832502 1074710186 /nfs/dbraw/zinc/71/01/86/1074710186.db2.gz URUMXMGKEHJSDR-CQSZACIVSA-N 1 0 401.467 0.103 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)C1 ZINC000534833037 1074710618 /nfs/dbraw/zinc/71/06/18/1074710618.db2.gz YSQBWISZLBZMBC-CYBMUJFWSA-N 1 0 402.455 0.073 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)C1 ZINC000534833038 1074710730 /nfs/dbraw/zinc/71/07/30/1074710730.db2.gz YSQBWISZLBZMBC-ZDUSSCGKSA-N 1 0 402.455 0.073 20 0 HCADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000534833102 1074711251 /nfs/dbraw/zinc/71/12/51/1074711251.db2.gz CLRSRHBFNIQHNU-UHFFFAOYSA-N 1 0 409.450 0.586 20 0 HCADRO COc1ccc(CCNC(=O)[C@@H](C)[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1OC ZINC000534833803 1074711576 /nfs/dbraw/zinc/71/15/76/1074711576.db2.gz IDGAGOOQXBJLEJ-CYBMUJFWSA-N 1 0 404.467 0.425 20 0 HCADRO COc1ccc(CCNC(=O)[C@H](C)[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1OC ZINC000534833824 1074711921 /nfs/dbraw/zinc/71/19/21/1074711921.db2.gz IDGAGOOQXBJLEJ-ZDUSSCGKSA-N 1 0 404.467 0.425 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000534834458 1074712288 /nfs/dbraw/zinc/71/22/88/1074712288.db2.gz VQAFOJIMFQMZMK-HNNXBMFYSA-N 1 0 408.462 0.889 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000534834461 1074712151 /nfs/dbraw/zinc/71/21/51/1074712151.db2.gz VQAFOJIMFQMZMK-OAHLLOKOSA-N 1 0 408.462 0.889 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)c1 ZINC000534835590 1074713226 /nfs/dbraw/zinc/71/32/26/1074713226.db2.gz VKBPZGPTVZHZHY-UHFFFAOYSA-N 1 0 424.461 0.857 20 0 HCADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534835789 1074713151 /nfs/dbraw/zinc/71/31/51/1074713151.db2.gz DXSJEDQPYGYKKG-CVEARBPZSA-N 1 0 419.503 0.708 20 0 HCADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534835790 1074713084 /nfs/dbraw/zinc/71/30/84/1074713084.db2.gz DXSJEDQPYGYKKG-HOTGVXAUSA-N 1 0 419.503 0.708 20 0 HCADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534835791 1074712877 /nfs/dbraw/zinc/71/28/77/1074712877.db2.gz DXSJEDQPYGYKKG-HZPDHXFCSA-N 1 0 419.503 0.708 20 0 HCADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534835792 1074712977 /nfs/dbraw/zinc/71/29/77/1074712977.db2.gz DXSJEDQPYGYKKG-JKSUJKDBSA-N 1 0 419.503 0.708 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H]3CCO[C@H]3C3CC3)cc2)CC1 ZINC000534837388 1074721264 /nfs/dbraw/zinc/72/12/64/1074721264.db2.gz UGLIZPGRHAGAIE-PMACEKPBSA-N 1 0 416.522 0.935 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCO[C@H]3C3CC3)cc2)CC1 ZINC000534837389 1074721338 /nfs/dbraw/zinc/72/13/38/1074721338.db2.gz UGLIZPGRHAGAIE-UXHICEINSA-N 1 0 416.522 0.935 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H]3CCO[C@@H]3C3CC3)cc2)CC1 ZINC000534837390 1074721362 /nfs/dbraw/zinc/72/13/62/1074721362.db2.gz UGLIZPGRHAGAIE-VQTJNVASSA-N 1 0 416.522 0.935 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCO[C@@H]3C3CC3)cc2)CC1 ZINC000534837391 1074721187 /nfs/dbraw/zinc/72/11/87/1074721187.db2.gz UGLIZPGRHAGAIE-WOJBJXKFSA-N 1 0 416.522 0.935 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@](C)(O)C(F)(F)F)c2)CC1 ZINC000534838630 1074721706 /nfs/dbraw/zinc/72/17/06/1074721706.db2.gz ZFMJNYCOBSSSDH-KRWDZBQOSA-N 1 0 402.417 0.802 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@](C)(O)C(F)(F)F)c2)CC1 ZINC000534838631 1074721833 /nfs/dbraw/zinc/72/18/33/1074721833.db2.gz ZFMJNYCOBSSSDH-QGZVFWFLSA-N 1 0 402.417 0.802 20 0 HCADRO CN(CC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)S(=O)(=O)c1cccnc1 ZINC000534840439 1074722681 /nfs/dbraw/zinc/72/26/81/1074722681.db2.gz HJMWKLJRDYUIBE-MSOLQXFVSA-N 1 0 418.519 0.454 20 0 HCADRO CN(CC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)S(=O)(=O)c1cccnc1 ZINC000534840440 1074722720 /nfs/dbraw/zinc/72/27/20/1074722720.db2.gz HJMWKLJRDYUIBE-QZTJIDSGSA-N 1 0 418.519 0.454 20 0 HCADRO CN(CC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)S(=O)(=O)c1cccnc1 ZINC000534840441 1074722527 /nfs/dbraw/zinc/72/25/27/1074722527.db2.gz HJMWKLJRDYUIBE-ROUUACIJSA-N 1 0 418.519 0.454 20 0 HCADRO CN(CC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)S(=O)(=O)c1cccnc1 ZINC000534840442 1074722389 /nfs/dbraw/zinc/72/23/89/1074722389.db2.gz HJMWKLJRDYUIBE-ZWKOTPCHSA-N 1 0 418.519 0.454 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)o1 ZINC000534840823 1074722501 /nfs/dbraw/zinc/72/25/01/1074722501.db2.gz GJIFWOYUJVDYJJ-AWEZNQCLSA-N 1 0 402.517 0.318 20 0 HCADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+](C)C2CCC(CO)CC2)CC1 ZINC000534841123 1074722424 /nfs/dbraw/zinc/72/24/24/1074722424.db2.gz NIOFOZQLOSDJKI-UHFFFAOYSA-N 1 0 401.515 0.495 20 0 HCADRO CS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)o1 ZINC000534841212 1074722362 /nfs/dbraw/zinc/72/23/62/1074722362.db2.gz RLNSZAORWWZGAF-CVEARBPZSA-N 1 0 407.492 0.694 20 0 HCADRO CS(=O)(=O)NCc1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)o1 ZINC000534841213 1074722644 /nfs/dbraw/zinc/72/26/44/1074722644.db2.gz RLNSZAORWWZGAF-HOTGVXAUSA-N 1 0 407.492 0.694 20 0 HCADRO CS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)o1 ZINC000534841214 1074722701 /nfs/dbraw/zinc/72/27/01/1074722701.db2.gz RLNSZAORWWZGAF-HZPDHXFCSA-N 1 0 407.492 0.694 20 0 HCADRO CS(=O)(=O)NCc1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)o1 ZINC000534841215 1074722337 /nfs/dbraw/zinc/72/23/37/1074722337.db2.gz RLNSZAORWWZGAF-JKSUJKDBSA-N 1 0 407.492 0.694 20 0 HCADRO Cn1c(=O)c(C(=O)C[N@H+](C)C2CCC(CO)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000534841277 1074722599 /nfs/dbraw/zinc/72/25/99/1074722599.db2.gz TYUYIMKPKRLDNH-UHFFFAOYSA-N 1 0 414.506 0.843 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)CC1 ZINC000534845392 1074715332 /nfs/dbraw/zinc/71/53/32/1074715332.db2.gz CVVQIIYVNWFYLM-GDBMZVCRSA-N 1 0 414.528 0.217 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H](C)O)C2)CC1 ZINC000534845395 1074715365 /nfs/dbraw/zinc/71/53/65/1074715365.db2.gz CVVQIIYVNWFYLM-GOEBONIOSA-N 1 0 414.528 0.217 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H](C)O)C2)CC1 ZINC000534845397 1074714946 /nfs/dbraw/zinc/71/49/46/1074714946.db2.gz CVVQIIYVNWFYLM-HOCLYGCPSA-N 1 0 414.528 0.217 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H](C)O)C2)CC1 ZINC000534845399 1074715242 /nfs/dbraw/zinc/71/52/42/1074715242.db2.gz CVVQIIYVNWFYLM-ZBFHGGJFSA-N 1 0 414.528 0.217 20 0 HCADRO COCC(=O)N1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534846162 1074715926 /nfs/dbraw/zinc/71/59/26/1074715926.db2.gz PLHIYMCGVNHHCX-MOPGFXCFSA-N 1 0 404.511 0.558 20 0 HCADRO COCC(=O)N1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534846164 1074715729 /nfs/dbraw/zinc/71/57/29/1074715729.db2.gz PLHIYMCGVNHHCX-OALUTQOASA-N 1 0 404.511 0.558 20 0 HCADRO COCC(=O)N1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534846165 1074716081 /nfs/dbraw/zinc/71/60/81/1074716081.db2.gz PLHIYMCGVNHHCX-RBUKOAKNSA-N 1 0 404.511 0.558 20 0 HCADRO COCC(=O)N1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534846167 1074715521 /nfs/dbraw/zinc/71/55/21/1074715521.db2.gz PLHIYMCGVNHHCX-RTBURBONSA-N 1 0 404.511 0.558 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534846280 1074715194 /nfs/dbraw/zinc/71/51/94/1074715194.db2.gz LDIOCKSQRDQZRA-PMACEKPBSA-N 1 0 417.554 0.474 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534846281 1074715818 /nfs/dbraw/zinc/71/58/18/1074715818.db2.gz LDIOCKSQRDQZRA-UXHICEINSA-N 1 0 417.554 0.474 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534846282 1074716032 /nfs/dbraw/zinc/71/60/32/1074716032.db2.gz LDIOCKSQRDQZRA-VQTJNVASSA-N 1 0 417.554 0.474 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534846283 1074715684 /nfs/dbraw/zinc/71/56/84/1074715684.db2.gz LDIOCKSQRDQZRA-WOJBJXKFSA-N 1 0 417.554 0.474 20 0 HCADRO CS(=O)(=O)N1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534847835 1074715609 /nfs/dbraw/zinc/71/56/09/1074715609.db2.gz ZGJKFUAXZNYBLV-MSOLQXFVSA-N 1 0 410.540 0.345 20 0 HCADRO CS(=O)(=O)N1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534847836 1074715772 /nfs/dbraw/zinc/71/57/72/1074715772.db2.gz ZGJKFUAXZNYBLV-QZTJIDSGSA-N 1 0 410.540 0.345 20 0 HCADRO CS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534847837 1074715976 /nfs/dbraw/zinc/71/59/76/1074715976.db2.gz ZGJKFUAXZNYBLV-ROUUACIJSA-N 1 0 410.540 0.345 20 0 HCADRO CS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534847838 1074716231 /nfs/dbraw/zinc/71/62/31/1074716231.db2.gz ZGJKFUAXZNYBLV-ZWKOTPCHSA-N 1 0 410.540 0.345 20 0 HCADRO CN1CCN(C(=O)CCNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849000 1074716645 /nfs/dbraw/zinc/71/66/45/1074716645.db2.gz ZHTFUNORQVPADN-MOPGFXCFSA-N 1 0 403.527 0.085 20 0 HCADRO CN1CCN(C(=O)CCNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849002 1074716388 /nfs/dbraw/zinc/71/63/88/1074716388.db2.gz ZHTFUNORQVPADN-OALUTQOASA-N 1 0 403.527 0.085 20 0 HCADRO CN1CCN(C(=O)CCNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849003 1074716570 /nfs/dbraw/zinc/71/65/70/1074716570.db2.gz ZHTFUNORQVPADN-RBUKOAKNSA-N 1 0 403.527 0.085 20 0 HCADRO CN1CCN(C(=O)CCNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849006 1074716441 /nfs/dbraw/zinc/71/64/41/1074716441.db2.gz ZHTFUNORQVPADN-RTBURBONSA-N 1 0 403.527 0.085 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849126 1074716669 /nfs/dbraw/zinc/71/66/69/1074716669.db2.gz WOIJLFMZTDGIHA-MOPGFXCFSA-N 1 0 403.527 0.131 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849127 1074716504 /nfs/dbraw/zinc/71/65/04/1074716504.db2.gz WOIJLFMZTDGIHA-OALUTQOASA-N 1 0 403.527 0.131 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849128 1074716616 /nfs/dbraw/zinc/71/66/16/1074716616.db2.gz WOIJLFMZTDGIHA-RBUKOAKNSA-N 1 0 403.527 0.131 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849130 1074716262 /nfs/dbraw/zinc/71/62/62/1074716262.db2.gz WOIJLFMZTDGIHA-RTBURBONSA-N 1 0 403.527 0.131 20 0 HCADRO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534851731 1074717408 /nfs/dbraw/zinc/71/74/08/1074717408.db2.gz FQHYCDJQSUOXMG-AWEZNQCLSA-N 1 0 416.478 0.521 20 0 HCADRO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534851732 1074717272 /nfs/dbraw/zinc/71/72/72/1074717272.db2.gz FQHYCDJQSUOXMG-CQSZACIVSA-N 1 0 416.478 0.521 20 0 HCADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534851739 1074717424 /nfs/dbraw/zinc/71/74/24/1074717424.db2.gz FWEOHDAGQMAAGJ-HNNXBMFYSA-N 1 0 405.451 0.654 20 0 HCADRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534851740 1074717487 /nfs/dbraw/zinc/71/74/87/1074717487.db2.gz FWEOHDAGQMAAGJ-OAHLLOKOSA-N 1 0 405.451 0.654 20 0 HCADRO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c(OC)c1 ZINC000534851825 1074718112 /nfs/dbraw/zinc/71/81/12/1074718112.db2.gz IVBUUFXXWJQQSW-AWEZNQCLSA-N 1 0 421.450 0.238 20 0 HCADRO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c(OC)c1 ZINC000534851829 1074718273 /nfs/dbraw/zinc/71/82/73/1074718273.db2.gz IVBUUFXXWJQQSW-CQSZACIVSA-N 1 0 421.450 0.238 20 0 HCADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000534853585 1074718988 /nfs/dbraw/zinc/71/89/88/1074718988.db2.gz GRVGSDSMMGFCBF-MOPGFXCFSA-N 1 0 421.461 0.352 20 0 HCADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000534853586 1074719051 /nfs/dbraw/zinc/71/90/51/1074719051.db2.gz GRVGSDSMMGFCBF-OALUTQOASA-N 1 0 421.461 0.352 20 0 HCADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000534853587 1074719214 /nfs/dbraw/zinc/71/92/14/1074719214.db2.gz GRVGSDSMMGFCBF-RBUKOAKNSA-N 1 0 421.461 0.352 20 0 HCADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000534853588 1074718923 /nfs/dbraw/zinc/71/89/23/1074718923.db2.gz GRVGSDSMMGFCBF-RTBURBONSA-N 1 0 421.461 0.352 20 0 HCADRO COCCCn1ccc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000534853842 1074719700 /nfs/dbraw/zinc/71/97/00/1074719700.db2.gz OEGGXDNKHIBHBC-MSOLQXFVSA-N 1 0 415.494 0.610 20 0 HCADRO COCCCn1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000534853942 1074719731 /nfs/dbraw/zinc/71/97/31/1074719731.db2.gz OEGGXDNKHIBHBC-ROUUACIJSA-N 1 0 415.494 0.610 20 0 HCADRO Cn1c(=O)oc2cc(NC(=O)C(=O)NC[C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)ccc21 ZINC000534854100 1074719753 /nfs/dbraw/zinc/71/97/53/1074719753.db2.gz VVTMZADZKJESQR-DLBZAZTESA-N 1 0 424.457 0.822 20 0 HCADRO Cn1c(=O)oc2cc(NC(=O)C(=O)NC[C@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)ccc21 ZINC000534854111 1074719443 /nfs/dbraw/zinc/71/94/43/1074719443.db2.gz VVTMZADZKJESQR-IAGOWNOFSA-N 1 0 424.457 0.822 20 0 HCADRO Cn1c(=O)oc2cc(NC(=O)C(=O)NC[C@@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)ccc21 ZINC000534854114 1074719634 /nfs/dbraw/zinc/71/96/34/1074719634.db2.gz VVTMZADZKJESQR-IRXDYDNUSA-N 1 0 424.457 0.822 20 0 HCADRO Cn1c(=O)oc2cc(NC(=O)C(=O)NC[C@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)ccc21 ZINC000534854116 1074719573 /nfs/dbraw/zinc/71/95/73/1074719573.db2.gz VVTMZADZKJESQR-SJORKVTESA-N 1 0 424.457 0.822 20 0 HCADRO COCCc1cc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n(C)n1 ZINC000534854242 1074719782 /nfs/dbraw/zinc/71/97/82/1074719782.db2.gz ZKTDSPJFXMTDHB-MSOLQXFVSA-N 1 0 415.494 0.299 20 0 HCADRO COCCc1cc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n(C)n1 ZINC000534854243 1074719538 /nfs/dbraw/zinc/71/95/38/1074719538.db2.gz ZKTDSPJFXMTDHB-QZTJIDSGSA-N 1 0 415.494 0.299 20 0 HCADRO COCCc1cc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n(C)n1 ZINC000534854244 1074719496 /nfs/dbraw/zinc/71/94/96/1074719496.db2.gz ZKTDSPJFXMTDHB-ROUUACIJSA-N 1 0 415.494 0.299 20 0 HCADRO COCCc1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n(C)n1 ZINC000534854245 1074719809 /nfs/dbraw/zinc/71/98/09/1074719809.db2.gz ZKTDSPJFXMTDHB-ZWKOTPCHSA-N 1 0 415.494 0.299 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)CC[NH+]3CCCC3)CC2)cc1 ZINC000534854740 1074719837 /nfs/dbraw/zinc/71/98/37/1074719837.db2.gz GKCNJBUUQYXTMU-UHFFFAOYSA-N 1 0 424.567 0.556 20 0 HCADRO NC(=O)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534854980 1074720660 /nfs/dbraw/zinc/72/06/60/1074720660.db2.gz IQGDZXHHJMRJKX-MOPGFXCFSA-N 1 0 410.474 0.405 20 0 HCADRO NC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534854981 1074720854 /nfs/dbraw/zinc/72/08/54/1074720854.db2.gz IQGDZXHHJMRJKX-OALUTQOASA-N 1 0 410.474 0.405 20 0 HCADRO NC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534854982 1074720998 /nfs/dbraw/zinc/72/09/98/1074720998.db2.gz IQGDZXHHJMRJKX-RBUKOAKNSA-N 1 0 410.474 0.405 20 0 HCADRO NC(=O)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534854983 1074720779 /nfs/dbraw/zinc/72/07/79/1074720779.db2.gz IQGDZXHHJMRJKX-RTBURBONSA-N 1 0 410.474 0.405 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1C(N)=O ZINC000534855050 1074721024 /nfs/dbraw/zinc/72/10/24/1074721024.db2.gz JYKTYBJNQAJMET-MSOLQXFVSA-N 1 0 410.474 0.784 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1C(N)=O ZINC000534855052 1074720636 /nfs/dbraw/zinc/72/06/36/1074720636.db2.gz JYKTYBJNQAJMET-QZTJIDSGSA-N 1 0 410.474 0.784 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1C(N)=O ZINC000534855053 1074720957 /nfs/dbraw/zinc/72/09/57/1074720957.db2.gz JYKTYBJNQAJMET-ROUUACIJSA-N 1 0 410.474 0.784 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1C(N)=O ZINC000534855054 1074720882 /nfs/dbraw/zinc/72/08/82/1074720882.db2.gz JYKTYBJNQAJMET-ZWKOTPCHSA-N 1 0 410.474 0.784 20 0 HCADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000534855411 1074720404 /nfs/dbraw/zinc/72/04/04/1074720404.db2.gz PRFWTOYDVJCZEW-DLBZAZTESA-N 1 0 424.457 0.708 20 0 HCADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000534855414 1074720137 /nfs/dbraw/zinc/72/01/37/1074720137.db2.gz PRFWTOYDVJCZEW-IAGOWNOFSA-N 1 0 424.457 0.708 20 0 HCADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000534855416 1074720286 /nfs/dbraw/zinc/72/02/86/1074720286.db2.gz PRFWTOYDVJCZEW-IRXDYDNUSA-N 1 0 424.457 0.708 20 0 HCADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000534855417 1074720181 /nfs/dbraw/zinc/72/01/81/1074720181.db2.gz PRFWTOYDVJCZEW-SJORKVTESA-N 1 0 424.457 0.708 20 0 HCADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000534855454 1074720359 /nfs/dbraw/zinc/72/03/59/1074720359.db2.gz WDQUYIMXPCNNDF-MSOLQXFVSA-N 1 0 421.461 0.352 20 0 HCADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000534855456 1074720023 /nfs/dbraw/zinc/72/00/23/1074720023.db2.gz WDQUYIMXPCNNDF-QZTJIDSGSA-N 1 0 421.461 0.352 20 0 HCADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000534855458 1074720213 /nfs/dbraw/zinc/72/02/13/1074720213.db2.gz WDQUYIMXPCNNDF-ROUUACIJSA-N 1 0 421.461 0.352 20 0 HCADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000534855459 1074720310 /nfs/dbraw/zinc/72/03/10/1074720310.db2.gz WDQUYIMXPCNNDF-ZWKOTPCHSA-N 1 0 421.461 0.352 20 0 HCADRO CN(CC[NH+]1CCCC1)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000534855891 1074721019 /nfs/dbraw/zinc/72/10/19/1074721019.db2.gz VXAVAVVSFHCGID-UHFFFAOYSA-N 1 0 405.518 0.936 20 0 HCADRO CCn1c(=O)c(C(=O)CN(C)CC[NH+]2CCCC2)c(N)n(Cc2ccccc2)c1=O ZINC000534856026 1074721445 /nfs/dbraw/zinc/72/14/45/1074721445.db2.gz ARKOUMYFFURHLT-UHFFFAOYSA-N 1 0 413.522 0.871 20 0 HCADRO Cn1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2nc1C1CC1 ZINC000534856282 1074720985 /nfs/dbraw/zinc/72/09/85/1074720985.db2.gz GRUBCXMVNNLUAZ-KRWDZBQOSA-N 1 0 412.494 0.845 20 0 HCADRO Cn1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2nc1C1CC1 ZINC000534856284 1074720714 /nfs/dbraw/zinc/72/07/14/1074720714.db2.gz GRUBCXMVNNLUAZ-QGZVFWFLSA-N 1 0 412.494 0.845 20 0 HCADRO CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000534856956 1074725925 /nfs/dbraw/zinc/72/59/25/1074725925.db2.gz YVELVUASXMKWRZ-GDBMZVCRSA-N 1 0 410.540 0.911 20 0 HCADRO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000534856957 1074725784 /nfs/dbraw/zinc/72/57/84/1074725784.db2.gz YVELVUASXMKWRZ-GOEBONIOSA-N 1 0 410.540 0.911 20 0 HCADRO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000534856958 1074725855 /nfs/dbraw/zinc/72/58/55/1074725855.db2.gz YVELVUASXMKWRZ-HOCLYGCPSA-N 1 0 410.540 0.911 20 0 HCADRO CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000534856959 1074725727 /nfs/dbraw/zinc/72/57/27/1074725727.db2.gz YVELVUASXMKWRZ-ZBFHGGJFSA-N 1 0 410.540 0.911 20 0 HCADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000534857063 1074726222 /nfs/dbraw/zinc/72/62/22/1074726222.db2.gz FAUHHADKTZRTRO-PMACEKPBSA-N 1 0 420.473 0.957 20 0 HCADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000534857064 1074726278 /nfs/dbraw/zinc/72/62/78/1074726278.db2.gz FAUHHADKTZRTRO-UXHICEINSA-N 1 0 420.473 0.957 20 0 HCADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000534857065 1074726416 /nfs/dbraw/zinc/72/64/16/1074726416.db2.gz FAUHHADKTZRTRO-VQTJNVASSA-N 1 0 420.473 0.957 20 0 HCADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000534857066 1074726325 /nfs/dbraw/zinc/72/63/25/1074726325.db2.gz FAUHHADKTZRTRO-WOJBJXKFSA-N 1 0 420.473 0.957 20 0 HCADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000534857674 1074725812 /nfs/dbraw/zinc/72/58/12/1074725812.db2.gz XFARKHOFOUIGKQ-MSOLQXFVSA-N 1 0 408.458 0.871 20 0 HCADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000534857675 1074725893 /nfs/dbraw/zinc/72/58/93/1074725893.db2.gz XFARKHOFOUIGKQ-QZTJIDSGSA-N 1 0 408.458 0.871 20 0 HCADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000534857676 1074725830 /nfs/dbraw/zinc/72/58/30/1074725830.db2.gz XFARKHOFOUIGKQ-ROUUACIJSA-N 1 0 408.458 0.871 20 0 HCADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000534857677 1074725739 /nfs/dbraw/zinc/72/57/39/1074725739.db2.gz XFARKHOFOUIGKQ-ZWKOTPCHSA-N 1 0 408.458 0.871 20 0 HCADRO Cc1ccc(NC(=O)CN(C)CC[NH+]2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000534858464 1074726172 /nfs/dbraw/zinc/72/61/72/1074726172.db2.gz ZFQTVJSUWAHDQC-UHFFFAOYSA-N 1 0 424.567 0.982 20 0 HCADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)CC1 ZINC000534861711 1074726675 /nfs/dbraw/zinc/72/66/75/1074726675.db2.gz ZMUJCJZVVDFBQP-GOSISDBHSA-N 1 0 424.586 0.563 20 0 HCADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)CC1 ZINC000534861714 1074726888 /nfs/dbraw/zinc/72/68/88/1074726888.db2.gz ZMUJCJZVVDFBQP-SFHVURJKSA-N 1 0 424.586 0.563 20 0 HCADRO CC(C)N(CCCNC(=O)C[NH+]1CCC(OC[C@H]2CCOC2)CC1)S(C)(=O)=O ZINC000534862652 1074727399 /nfs/dbraw/zinc/72/73/99/1074727399.db2.gz NLVCXDIDNGXSDD-KRWDZBQOSA-N 1 0 419.588 0.680 20 0 HCADRO CC(C)N(CCCNC(=O)C[NH+]1CCC(OC[C@@H]2CCOC2)CC1)S(C)(=O)=O ZINC000534862657 1074727133 /nfs/dbraw/zinc/72/71/33/1074727133.db2.gz NLVCXDIDNGXSDD-QGZVFWFLSA-N 1 0 419.588 0.680 20 0 HCADRO CN1C(=O)NC2(CC[NH+](CCC(=O)N3CCN(c4ccccn4)CC3)CC2)C1=O ZINC000534863123 1074727638 /nfs/dbraw/zinc/72/76/38/1074727638.db2.gz XVECZRNQSWCTEM-UHFFFAOYSA-N 1 0 400.483 0.137 20 0 HCADRO CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C[C@@H]1O ZINC000534863430 1074727070 /nfs/dbraw/zinc/72/70/70/1074727070.db2.gz FWKYMHKLAGKXMV-HKUYNNGSSA-N 1 0 409.552 0.839 20 0 HCADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C[C@H]1O ZINC000534863431 1074727299 /nfs/dbraw/zinc/72/72/99/1074727299.db2.gz FWKYMHKLAGKXMV-IEBWSBKVSA-N 1 0 409.552 0.839 20 0 HCADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C[C@@H]1O ZINC000534863432 1074727364 /nfs/dbraw/zinc/72/73/64/1074727364.db2.gz FWKYMHKLAGKXMV-MJGOQNOKSA-N 1 0 409.552 0.839 20 0 HCADRO CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C[C@H]1O ZINC000534863433 1074727146 /nfs/dbraw/zinc/72/71/46/1074727146.db2.gz FWKYMHKLAGKXMV-PKOBYXMFSA-N 1 0 409.552 0.839 20 0 HCADRO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C[C@@H]1O ZINC000534863875 1074728214 /nfs/dbraw/zinc/72/82/14/1074728214.db2.gz OGTIWHAOTVSPSU-LMMKCTJWSA-N 1 0 409.552 0.919 20 0 HCADRO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C[C@@H]1O ZINC000534863876 1074728123 /nfs/dbraw/zinc/72/81/23/1074728123.db2.gz OGTIWHAOTVSPSU-SCTDSRPQSA-N 1 0 409.552 0.919 20 0 HCADRO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C[C@H]1O ZINC000534863877 1074728359 /nfs/dbraw/zinc/72/83/59/1074728359.db2.gz OGTIWHAOTVSPSU-YQVWRLOYSA-N 1 0 409.552 0.919 20 0 HCADRO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C[C@H]1O ZINC000534863878 1074728237 /nfs/dbraw/zinc/72/82/37/1074728237.db2.gz OGTIWHAOTVSPSU-ZHALLVOQSA-N 1 0 409.552 0.919 20 0 HCADRO CC1(C)NC(=O)N(CCCC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1=O ZINC000534865014 1074723101 /nfs/dbraw/zinc/72/31/01/1074723101.db2.gz BACNWYCNNDLQGJ-DLBZAZTESA-N 1 0 402.495 0.849 20 0 HCADRO CC1(C)NC(=O)N(CCCC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1=O ZINC000534865015 1074722940 /nfs/dbraw/zinc/72/29/40/1074722940.db2.gz BACNWYCNNDLQGJ-IAGOWNOFSA-N 1 0 402.495 0.849 20 0 HCADRO CC1(C)NC(=O)N(CCCC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1=O ZINC000534865016 1074723079 /nfs/dbraw/zinc/72/30/79/1074723079.db2.gz BACNWYCNNDLQGJ-IRXDYDNUSA-N 1 0 402.495 0.849 20 0 HCADRO CC1(C)NC(=O)N(CCCC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1=O ZINC000534865017 1074723177 /nfs/dbraw/zinc/72/31/77/1074723177.db2.gz BACNWYCNNDLQGJ-SJORKVTESA-N 1 0 402.495 0.849 20 0 HCADRO CCC1(CC)NC(=O)N(CC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1=O ZINC000534865788 1074728386 /nfs/dbraw/zinc/72/83/86/1074728386.db2.gz XWCOUUSTVOZNFQ-DLBZAZTESA-N 1 0 402.495 0.849 20 0 HCADRO CCC1(CC)NC(=O)N(CC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1=O ZINC000534865792 1074728292 /nfs/dbraw/zinc/72/82/92/1074728292.db2.gz XWCOUUSTVOZNFQ-IRXDYDNUSA-N 1 0 402.495 0.849 20 0 HCADRO CCC1(CC)NC(=O)N(CC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1=O ZINC000534865794 1074728076 /nfs/dbraw/zinc/72/80/76/1074728076.db2.gz XWCOUUSTVOZNFQ-SJORKVTESA-N 1 0 402.495 0.849 20 0 HCADRO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534866290 1074723151 /nfs/dbraw/zinc/72/31/51/1074723151.db2.gz QYNVWMWIQLQHDM-DLBZAZTESA-N 1 0 408.458 0.854 20 0 HCADRO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534866291 1074722881 /nfs/dbraw/zinc/72/28/81/1074722881.db2.gz QYNVWMWIQLQHDM-IAGOWNOFSA-N 1 0 408.458 0.854 20 0 HCADRO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534866292 1074722980 /nfs/dbraw/zinc/72/29/80/1074722980.db2.gz QYNVWMWIQLQHDM-IRXDYDNUSA-N 1 0 408.458 0.854 20 0 HCADRO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534866293 1074723214 /nfs/dbraw/zinc/72/32/14/1074723214.db2.gz QYNVWMWIQLQHDM-SJORKVTESA-N 1 0 408.458 0.854 20 0 HCADRO CC(=O)N(CCc1ccccc1)CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000534884529 1074730386 /nfs/dbraw/zinc/73/03/86/1074730386.db2.gz JBQGTQNPMBBJBW-UHFFFAOYSA-N 1 0 402.539 0.994 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000534891141 1074728433 /nfs/dbraw/zinc/72/84/33/1074728433.db2.gz DELLSXXMZAJYNR-DOTOQJQBSA-N 1 0 405.474 0.960 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000534891148 1074728339 /nfs/dbraw/zinc/72/83/39/1074728339.db2.gz DELLSXXMZAJYNR-NVXWUHKLSA-N 1 0 405.474 0.960 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000534891149 1074728096 /nfs/dbraw/zinc/72/80/96/1074728096.db2.gz DELLSXXMZAJYNR-RDJZCZTQSA-N 1 0 405.474 0.960 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000534891150 1074728052 /nfs/dbraw/zinc/72/80/52/1074728052.db2.gz DELLSXXMZAJYNR-WBVHZDCISA-N 1 0 405.474 0.960 20 0 HCADRO C[NH+](C)CCCN(C(=O)Cn1cnc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000534897620 1074729015 /nfs/dbraw/zinc/72/90/15/1074729015.db2.gz RKOLFLLRXNCBFI-KRWDZBQOSA-N 1 0 405.524 0.913 20 0 HCADRO C[NH+](C)CCCN(C(=O)Cn1cnc(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000534897621 1074729168 /nfs/dbraw/zinc/72/91/68/1074729168.db2.gz RKOLFLLRXNCBFI-QGZVFWFLSA-N 1 0 405.524 0.913 20 0 HCADRO CS[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1[NH+](C)C ZINC000534907197 1074733868 /nfs/dbraw/zinc/73/38/68/1074733868.db2.gz ICGVZDZWFUXHFQ-CVEARBPZSA-N 1 0 419.594 0.793 20 0 HCADRO CS[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1[NH+](C)C ZINC000534907198 1074733786 /nfs/dbraw/zinc/73/37/86/1074733786.db2.gz ICGVZDZWFUXHFQ-HOTGVXAUSA-N 1 0 419.594 0.793 20 0 HCADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1[NH+](C)C ZINC000534907199 1074733950 /nfs/dbraw/zinc/73/39/50/1074733950.db2.gz ICGVZDZWFUXHFQ-HZPDHXFCSA-N 1 0 419.594 0.793 20 0 HCADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1[NH+](C)C ZINC000534907200 1074733886 /nfs/dbraw/zinc/73/38/86/1074733886.db2.gz ICGVZDZWFUXHFQ-JKSUJKDBSA-N 1 0 419.594 0.793 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)CC1 ZINC000534909776 1074733828 /nfs/dbraw/zinc/73/38/28/1074733828.db2.gz VDHPHERJUMNNSK-UHFFFAOYSA-N 1 0 413.400 0.806 20 0 HCADRO NC(=O)CN1CCN(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000534914862 1074730616 /nfs/dbraw/zinc/73/06/16/1074730616.db2.gz GFRSOXFJWGKCJY-GOSISDBHSA-N 1 0 407.946 0.696 20 0 HCADRO NC(=O)CN1CCN(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000534914863 1074730751 /nfs/dbraw/zinc/73/07/51/1074730751.db2.gz GFRSOXFJWGKCJY-SFHVURJKSA-N 1 0 407.946 0.696 20 0 HCADRO C[C@]1(CCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)NC(=O)NC1=O ZINC000534916347 1074731231 /nfs/dbraw/zinc/73/12/31/1074731231.db2.gz CFPGMFQKGLAJCH-CBGDNZLLSA-N 1 0 402.495 0.754 20 0 HCADRO C[C@]1(CCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)NC(=O)NC1=O ZINC000534916349 1074731147 /nfs/dbraw/zinc/73/11/47/1074731147.db2.gz CFPGMFQKGLAJCH-LLGFUMIMSA-N 1 0 402.495 0.754 20 0 HCADRO C[C@]1(CCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)NC(=O)NC1=O ZINC000534916350 1074731130 /nfs/dbraw/zinc/73/11/30/1074731130.db2.gz CFPGMFQKGLAJCH-XGHQBKJUSA-N 1 0 402.495 0.754 20 0 HCADRO CN1CC(=O)N(CCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1=O ZINC000534917301 1074731539 /nfs/dbraw/zinc/73/15/39/1074731539.db2.gz KQJCJVVXIYLWTD-MSOLQXFVSA-N 1 0 402.495 0.660 20 0 HCADRO CN1CC(=O)N(CCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1=O ZINC000534917302 1074731460 /nfs/dbraw/zinc/73/14/60/1074731460.db2.gz KQJCJVVXIYLWTD-QZTJIDSGSA-N 1 0 402.495 0.660 20 0 HCADRO CN1CC(=O)N(CCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1=O ZINC000534917303 1074731685 /nfs/dbraw/zinc/73/16/85/1074731685.db2.gz KQJCJVVXIYLWTD-ROUUACIJSA-N 1 0 402.495 0.660 20 0 HCADRO CN1CC(=O)N(CCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1=O ZINC000534917304 1074731656 /nfs/dbraw/zinc/73/16/56/1074731656.db2.gz KQJCJVVXIYLWTD-ZWKOTPCHSA-N 1 0 402.495 0.660 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000534917716 1074731041 /nfs/dbraw/zinc/73/10/41/1074731041.db2.gz UDAWTXAVVVQNTP-DOTOQJQBSA-N 1 0 423.560 0.937 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000534917717 1074731200 /nfs/dbraw/zinc/73/12/00/1074731200.db2.gz UDAWTXAVVVQNTP-NVXWUHKLSA-N 1 0 423.560 0.937 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000534917718 1074731112 /nfs/dbraw/zinc/73/11/12/1074731112.db2.gz UDAWTXAVVVQNTP-RDJZCZTQSA-N 1 0 423.560 0.937 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000534917719 1074731216 /nfs/dbraw/zinc/73/12/16/1074731216.db2.gz UDAWTXAVVVQNTP-WBVHZDCISA-N 1 0 423.560 0.937 20 0 HCADRO Cc1nnc(CN(C)CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1C ZINC000534918184 1074731513 /nfs/dbraw/zinc/73/15/13/1074731513.db2.gz XXPXSPCCSXDRTE-MOPGFXCFSA-N 1 0 400.527 0.555 20 0 HCADRO Cc1nnc(CN(C)CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1C ZINC000534918185 1074731742 /nfs/dbraw/zinc/73/17/42/1074731742.db2.gz XXPXSPCCSXDRTE-OALUTQOASA-N 1 0 400.527 0.555 20 0 HCADRO Cc1nnc(CN(C)CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1C ZINC000534918186 1074731706 /nfs/dbraw/zinc/73/17/06/1074731706.db2.gz XXPXSPCCSXDRTE-RBUKOAKNSA-N 1 0 400.527 0.555 20 0 HCADRO Cc1nnc(CN(C)CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1C ZINC000534918187 1074731439 /nfs/dbraw/zinc/73/14/39/1074731439.db2.gz XXPXSPCCSXDRTE-RTBURBONSA-N 1 0 400.527 0.555 20 0 HCADRO C[C@H](C(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)n1cccn1 ZINC000534919391 1074735190 /nfs/dbraw/zinc/73/51/90/1074735190.db2.gz YDNCOPDLYNLMSC-HOJAQTOUSA-N 1 0 413.522 0.902 20 0 HCADRO C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)n1cccn1 ZINC000534919392 1074735342 /nfs/dbraw/zinc/73/53/42/1074735342.db2.gz YDNCOPDLYNLMSC-MISYRCLQSA-N 1 0 413.522 0.902 20 0 HCADRO C[C@H](C(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)n1cccn1 ZINC000534919393 1074735554 /nfs/dbraw/zinc/73/55/54/1074735554.db2.gz YDNCOPDLYNLMSC-RLLQIKCJSA-N 1 0 413.522 0.902 20 0 HCADRO C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)n1cccn1 ZINC000534919394 1074735515 /nfs/dbraw/zinc/73/55/15/1074735515.db2.gz YDNCOPDLYNLMSC-YZGWKJHDSA-N 1 0 413.522 0.902 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000534920518 1074735531 /nfs/dbraw/zinc/73/55/31/1074735531.db2.gz NBBHLQZOFOWPEB-AZUAARDMSA-N 1 0 417.531 0.876 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000534920519 1074735431 /nfs/dbraw/zinc/73/54/31/1074735431.db2.gz NBBHLQZOFOWPEB-ICSRJNTNSA-N 1 0 417.531 0.876 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000534920520 1074735502 /nfs/dbraw/zinc/73/55/02/1074735502.db2.gz NBBHLQZOFOWPEB-QUCCMNQESA-N 1 0 417.531 0.876 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000534920521 1074735385 /nfs/dbraw/zinc/73/53/85/1074735385.db2.gz NBBHLQZOFOWPEB-UYAOXDASSA-N 1 0 417.531 0.876 20 0 HCADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000534921444 1074735694 /nfs/dbraw/zinc/73/56/94/1074735694.db2.gz BPWJNASYILYRIC-APWZRJJASA-N 1 0 408.458 0.829 20 0 HCADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000534921445 1074735819 /nfs/dbraw/zinc/73/58/19/1074735819.db2.gz BPWJNASYILYRIC-LPHOPBHVSA-N 1 0 408.458 0.829 20 0 HCADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000534921446 1074735877 /nfs/dbraw/zinc/73/58/77/1074735877.db2.gz BPWJNASYILYRIC-QFBILLFUSA-N 1 0 408.458 0.829 20 0 HCADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000534921448 1074735779 /nfs/dbraw/zinc/73/57/79/1074735779.db2.gz BPWJNASYILYRIC-VQIMIIECSA-N 1 0 408.458 0.829 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)s1 ZINC000534921909 1074736118 /nfs/dbraw/zinc/73/61/18/1074736118.db2.gz HPOYGESNIPAZKJ-DOTOQJQBSA-N 1 0 423.560 0.937 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000534921911 1074736233 /nfs/dbraw/zinc/73/62/33/1074736233.db2.gz HPOYGESNIPAZKJ-NVXWUHKLSA-N 1 0 423.560 0.937 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)s1 ZINC000534921913 1074736054 /nfs/dbraw/zinc/73/60/54/1074736054.db2.gz HPOYGESNIPAZKJ-RDJZCZTQSA-N 1 0 423.560 0.937 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000534921914 1074736089 /nfs/dbraw/zinc/73/60/89/1074736089.db2.gz HPOYGESNIPAZKJ-WBVHZDCISA-N 1 0 423.560 0.937 20 0 HCADRO Cn1nc2c(c1NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000534922880 1074735729 /nfs/dbraw/zinc/73/57/29/1074735729.db2.gz AYUGZQLIXXUWJN-UHFFFAOYSA-N 1 0 412.494 0.455 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)C1 ZINC000534923984 1074736151 /nfs/dbraw/zinc/73/61/51/1074736151.db2.gz DFCNIAPQEXCJFH-LLVKDONJSA-N 1 0 401.389 0.743 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)C1 ZINC000534923985 1074736220 /nfs/dbraw/zinc/73/62/20/1074736220.db2.gz DFCNIAPQEXCJFH-NSHDSACASA-N 1 0 401.389 0.743 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC2CCC(F)(F)CC2)cn1 ZINC000534924629 1074736403 /nfs/dbraw/zinc/73/64/03/1074736403.db2.gz HUMYJDKWOKVMNY-UHFFFAOYSA-N 1 0 400.430 0.194 20 0 HCADRO CC(C)Cn1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(C(F)F)n1 ZINC000534925057 1074736489 /nfs/dbraw/zinc/73/64/89/1074736489.db2.gz KQFFPFSOPDQYMB-CYBMUJFWSA-N 1 0 414.457 0.871 20 0 HCADRO CC(C)Cn1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(C(F)F)n1 ZINC000534925061 1074736561 /nfs/dbraw/zinc/73/65/61/1074736561.db2.gz KQFFPFSOPDQYMB-ZDUSSCGKSA-N 1 0 414.457 0.871 20 0 HCADRO Cn1nc2c(c1NC(=O)C(=O)NCC1([NH+]3CCCCC3)CCN(C)CC1)CCC2 ZINC000534925271 1074736512 /nfs/dbraw/zinc/73/65/12/1074736512.db2.gz CQDRNJYEZFXWOH-UHFFFAOYSA-N 1 0 402.543 0.914 20 0 HCADRO Cn1c2c(ccn2CC(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)c(=O)n(C)c1=O ZINC000534925570 1074736546 /nfs/dbraw/zinc/73/65/46/1074736546.db2.gz RBAZPABLQZRUAH-UHFFFAOYSA-N 1 0 413.478 0.335 20 0 HCADRO Cc1nc(S(=O)(=O)NCCC(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cn1C ZINC000534926510 1074736921 /nfs/dbraw/zinc/73/69/21/1074736921.db2.gz SMIKBMOHFIUHKV-UHFFFAOYSA-N 1 0 423.539 0.693 20 0 HCADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)c1 ZINC000534928513 1074736811 /nfs/dbraw/zinc/73/68/11/1074736811.db2.gz OCBLFXWCAYIIQR-UHFFFAOYSA-N 1 0 424.523 0.849 20 0 HCADRO Cc1ccccc1-n1nccc1NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000534929105 1074736891 /nfs/dbraw/zinc/73/68/91/1074736891.db2.gz AEWVAQLULDAGCN-UHFFFAOYSA-N 1 0 412.494 0.742 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n(-c2ccccc2)n1 ZINC000534929715 1074736941 /nfs/dbraw/zinc/73/69/41/1074736941.db2.gz BUENJYOZJPLDOA-GOSISDBHSA-N 1 0 424.505 0.884 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n(-c2ccccc2)n1 ZINC000534929722 1074736868 /nfs/dbraw/zinc/73/68/68/1074736868.db2.gz BUENJYOZJPLDOA-SFHVURJKSA-N 1 0 424.505 0.884 20 0 HCADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)Nc3c4c(nn3C)CCC4)CC2)CC1 ZINC000534932286 1074737515 /nfs/dbraw/zinc/73/75/15/1074737515.db2.gz ZROMGEOSVCSFJG-UHFFFAOYSA-N 1 0 402.543 0.864 20 0 HCADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000534940428 1074738255 /nfs/dbraw/zinc/73/82/55/1074738255.db2.gz DBUHUDRIEPKSQG-HNNXBMFYSA-N 1 0 411.572 0.619 20 0 HCADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000534940429 1074738403 /nfs/dbraw/zinc/73/84/03/1074738403.db2.gz DBUHUDRIEPKSQG-OAHLLOKOSA-N 1 0 411.572 0.619 20 0 HCADRO Cn1c2[nH]c(CN3CCC[N@H+](Cc4ccc(F)cc4)CC3)nc2c(=O)n(C)c1=O ZINC000534952018 1074739252 /nfs/dbraw/zinc/73/92/52/1074739252.db2.gz RVORMYJANLXDTB-UHFFFAOYSA-N 1 0 400.458 0.807 20 0 HCADRO CN(CCC[NH+]1CCN(C)CC1)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000534954120 1074740416 /nfs/dbraw/zinc/74/04/16/1074740416.db2.gz DAPDNURXLJPCBI-IBGZPJMESA-N 1 0 414.616 0.514 20 0 HCADRO CN(CCC[NH+]1CCN(C)CC1)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000534954121 1074740506 /nfs/dbraw/zinc/74/05/06/1074740506.db2.gz DAPDNURXLJPCBI-LJQANCHMSA-N 1 0 414.616 0.514 20 0 HCADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000534954309 1074740559 /nfs/dbraw/zinc/74/05/59/1074740559.db2.gz MLDCLBCQSCSOHA-UHFFFAOYSA-N 1 0 411.510 0.214 20 0 HCADRO CC(C)Cn1c(N)c(C(=O)CN(C)CC[N@H+](C)C2CCN(C)CC2)c(=O)[nH]c1=O ZINC000534954864 1074740005 /nfs/dbraw/zinc/74/00/05/1074740005.db2.gz SMIPJGPOVSPQNK-UHFFFAOYSA-N 1 0 408.547 0.328 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)Nc2cnn(CCN3CCOCC3)c2)ccn1 ZINC000534957179 1074737797 /nfs/dbraw/zinc/73/77/97/1074737797.db2.gz BJCQUZFMKBKYTR-UHFFFAOYSA-N 1 0 417.514 0.872 20 0 HCADRO NC(=O)N[C@@H]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000534957711 1074737604 /nfs/dbraw/zinc/73/76/04/1074737604.db2.gz ODFDTNPTTXTJJY-DLBZAZTESA-N 1 0 402.499 0.336 20 0 HCADRO NC(=O)N[C@@H]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000534957712 1074737865 /nfs/dbraw/zinc/73/78/65/1074737865.db2.gz ODFDTNPTTXTJJY-IAGOWNOFSA-N 1 0 402.499 0.336 20 0 HCADRO NC(=O)N[C@H]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000534957713 1074738022 /nfs/dbraw/zinc/73/80/22/1074738022.db2.gz ODFDTNPTTXTJJY-IRXDYDNUSA-N 1 0 402.499 0.336 20 0 HCADRO NC(=O)N[C@H]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000534957914 1074740625 /nfs/dbraw/zinc/74/06/25/1074740625.db2.gz ODFDTNPTTXTJJY-SJORKVTESA-N 1 0 402.499 0.336 20 0 HCADRO C[C@@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000534961819 1074737961 /nfs/dbraw/zinc/73/79/61/1074737961.db2.gz VEQALXQAWVKYAM-AWEZNQCLSA-N 1 0 403.483 0.891 20 0 HCADRO C[C@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000534961820 1074737841 /nfs/dbraw/zinc/73/78/41/1074737841.db2.gz VEQALXQAWVKYAM-CQSZACIVSA-N 1 0 403.483 0.891 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NCc3ccnc(OCC[NH+](C)C)c3)C2=O)cn1 ZINC000534963022 1074743071 /nfs/dbraw/zinc/74/30/71/1074743071.db2.gz QLOZXKGQGCHVBJ-INIZCTEOSA-N 1 0 401.471 0.360 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)NCc3ccnc(OCC[NH+](C)C)c3)C2=O)cn1 ZINC000534963026 1074743021 /nfs/dbraw/zinc/74/30/21/1074743021.db2.gz QLOZXKGQGCHVBJ-MRXNPFEDSA-N 1 0 401.471 0.360 20 0 HCADRO C[NH+](C)Cc1ccc(CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1F ZINC000534974344 1074741385 /nfs/dbraw/zinc/74/13/85/1074741385.db2.gz MAVKSJHNDRFVLM-HNNXBMFYSA-N 1 0 414.503 0.380 20 0 HCADRO C[NH+](C)Cc1ccc(CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000534974345 1074741261 /nfs/dbraw/zinc/74/12/61/1074741261.db2.gz MAVKSJHNDRFVLM-OAHLLOKOSA-N 1 0 414.503 0.380 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)NCCNS(=O)(=O)c2cccnc2)ccn1 ZINC000534974918 1074741424 /nfs/dbraw/zinc/74/14/24/1074741424.db2.gz CTZBBIHQSNWMQE-UHFFFAOYSA-N 1 0 422.511 0.195 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)NCc2cccc(S(N)(=O)=O)c2)ccn1 ZINC000534975712 1074741192 /nfs/dbraw/zinc/74/11/92/1074741192.db2.gz HDDLEKJUEAKAIA-UHFFFAOYSA-N 1 0 407.496 0.669 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccn1 ZINC000534976200 1074741795 /nfs/dbraw/zinc/74/17/95/1074741795.db2.gz MABFYRZNMJMEIV-UHFFFAOYSA-N 1 0 421.523 0.711 20 0 HCADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2cccc(-n3cnnn3)c2)ccn1 ZINC000534978472 1074741989 /nfs/dbraw/zinc/74/19/89/1074741989.db2.gz AZDCRYFMRITVQQ-UHFFFAOYSA-N 1 0 403.468 0.476 20 0 HCADRO CN1C(=O)c2ccc(S(=O)(=O)NCc3ccnc(OCC[NH+](C)C)c3)cc2C1=O ZINC000534978612 1074742014 /nfs/dbraw/zinc/74/20/14/1074742014.db2.gz HYZPXQYYHDMQLP-UHFFFAOYSA-N 1 0 418.475 0.726 20 0 HCADRO Cn1nnnc1-c1cccc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000534978616 1074742060 /nfs/dbraw/zinc/74/20/60/1074742060.db2.gz IBHKVAUAKKOEFE-UHFFFAOYSA-N 1 0 417.495 0.691 20 0 HCADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc(-n3cnnn3)cc2)ccn1 ZINC000534978629 1074742044 /nfs/dbraw/zinc/74/20/44/1074742044.db2.gz IVXBVZWHHXCBDD-UHFFFAOYSA-N 1 0 403.468 0.476 20 0 HCADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccn1 ZINC000534979498 1074742082 /nfs/dbraw/zinc/74/20/82/1074742082.db2.gz ZRZVTPRHJYFIMC-UHFFFAOYSA-N 1 0 404.492 0.786 20 0 HCADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000534979664 1074741931 /nfs/dbraw/zinc/74/19/31/1074741931.db2.gz LCMWTCRULFJKNH-INIZCTEOSA-N 1 0 414.528 0.632 20 0 HCADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000534979665 1074741982 /nfs/dbraw/zinc/74/19/82/1074741982.db2.gz LCMWTCRULFJKNH-MRXNPFEDSA-N 1 0 414.528 0.632 20 0 HCADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)ccn1 ZINC000534979682 1074742034 /nfs/dbraw/zinc/74/20/34/1074742034.db2.gz AEHQFYIAFUNOKC-UHFFFAOYSA-N 1 0 413.521 0.904 20 0 HCADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1F ZINC000534979746 1074741961 /nfs/dbraw/zinc/74/19/61/1074741961.db2.gz OSEQXJGSWXXPJR-UHFFFAOYSA-N 1 0 406.439 0.896 20 0 HCADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)ccn1 ZINC000534980204 1074742372 /nfs/dbraw/zinc/74/23/72/1074742372.db2.gz WOCYMKWMGZIOIN-UHFFFAOYSA-N 1 0 406.464 0.831 20 0 HCADRO COc1ccc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1C(N)=O ZINC000534980640 1074742297 /nfs/dbraw/zinc/74/22/97/1074742297.db2.gz UCEHMUJBLQDCNY-UHFFFAOYSA-N 1 0 408.480 0.608 20 0 HCADRO CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000534982691 1074742314 /nfs/dbraw/zinc/74/23/14/1074742314.db2.gz BHGSLIYXLKSXAC-UHFFFAOYSA-N 1 0 407.496 0.607 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)ccn1 ZINC000534986191 1074745359 /nfs/dbraw/zinc/74/53/59/1074745359.db2.gz JKLFJDWZVDMXMC-FQEVSTJZSA-N 1 0 418.498 0.542 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)ccn1 ZINC000534986192 1074745291 /nfs/dbraw/zinc/74/52/91/1074745291.db2.gz JKLFJDWZVDMXMC-HXUWFJFHSA-N 1 0 418.498 0.542 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000534989690 1074745201 /nfs/dbraw/zinc/74/52/01/1074745201.db2.gz PIPYHDSKLFCYPJ-UHFFFAOYSA-N 1 0 420.558 0.718 20 0 HCADRO Cn1c(=O)[nH]c(=O)c2c(C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc(C3CC3)nc21 ZINC000534993945 1074746066 /nfs/dbraw/zinc/74/60/66/1074746066.db2.gz JXTDGHCQGNSJTG-AWEZNQCLSA-N 1 0 415.494 0.878 20 0 HCADRO Cn1c(=O)[nH]c(=O)c2c(C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc(C3CC3)nc21 ZINC000534993946 1074746106 /nfs/dbraw/zinc/74/61/06/1074746106.db2.gz JXTDGHCQGNSJTG-CQSZACIVSA-N 1 0 415.494 0.878 20 0 HCADRO C[NH+](C)Cc1ccc(CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1F ZINC000534994092 1074746405 /nfs/dbraw/zinc/74/64/05/1074746405.db2.gz VBFVRKVJEVONSG-UHFFFAOYSA-N 1 0 421.517 0.573 20 0 HCADRO COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000534997484 1074743483 /nfs/dbraw/zinc/74/34/83/1074743483.db2.gz GGYTYYIGKUVJSY-INIZCTEOSA-N 1 0 417.572 0.830 20 0 HCADRO COC(=O)[C@H](C)CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000534997485 1074743405 /nfs/dbraw/zinc/74/34/05/1074743405.db2.gz GGYTYYIGKUVJSY-MRXNPFEDSA-N 1 0 417.572 0.830 20 0 HCADRO Cc1c(NC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cccc1-n1cnnn1 ZINC000534998074 1074743434 /nfs/dbraw/zinc/74/34/34/1074743434.db2.gz VEJBUNFBAINMLE-UHFFFAOYSA-N 1 0 424.465 0.561 20 0 HCADRO Cc1nc(S(=O)(=O)NCCC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cn1C ZINC000534998270 1074743445 /nfs/dbraw/zinc/74/34/45/1074743445.db2.gz OYFCOYORIDMUFL-UHFFFAOYSA-N 1 0 411.503 0.914 20 0 HCADRO Cn1c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000534998620 1074743492 /nfs/dbraw/zinc/74/34/92/1074743492.db2.gz UISBMEQHVSUVQX-UHFFFAOYSA-N 1 0 401.442 0.706 20 0 HCADRO Cn1c2ncn(CCC(=O)NCc3ccc(C[NH+](C)C)c(F)c3)c2c(=O)n(C)c1=O ZINC000534999323 1074743798 /nfs/dbraw/zinc/74/37/98/1074743798.db2.gz SRDHLTBBLPKIEX-UHFFFAOYSA-N 1 0 416.457 0.341 20 0 HCADRO CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@H]1[NH+](C)C ZINC000535000524 1074744140 /nfs/dbraw/zinc/74/41/40/1074744140.db2.gz BQQWVSSZCOTGMW-CABCVRRESA-N 1 0 418.610 0.870 20 0 HCADRO CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@@H]1[NH+](C)C ZINC000535000525 1074743994 /nfs/dbraw/zinc/74/39/94/1074743994.db2.gz BQQWVSSZCOTGMW-GJZGRUSLSA-N 1 0 418.610 0.870 20 0 HCADRO CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@H]1[NH+](C)C ZINC000535000526 1074743936 /nfs/dbraw/zinc/74/39/36/1074743936.db2.gz BQQWVSSZCOTGMW-HUUCEWRRSA-N 1 0 418.610 0.870 20 0 HCADRO CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@@H]1[NH+](C)C ZINC000535000527 1074744559 /nfs/dbraw/zinc/74/45/59/1074744559.db2.gz BQQWVSSZCOTGMW-LSDHHAIUSA-N 1 0 418.610 0.870 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)c2ccnc3c(C(N)=O)cnn32)c2ccccc2)CC1 ZINC000535007942 1074746260 /nfs/dbraw/zinc/74/62/60/1074746260.db2.gz BVNGESQIHMNFLS-KRWDZBQOSA-N 1 0 407.478 0.547 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)c2ccnc3c(C(N)=O)cnn32)c2ccccc2)CC1 ZINC000535007943 1074746426 /nfs/dbraw/zinc/74/64/26/1074746426.db2.gz BVNGESQIHMNFLS-QGZVFWFLSA-N 1 0 407.478 0.547 20 0 HCADRO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1F ZINC000535013991 1074746653 /nfs/dbraw/zinc/74/66/53/1074746653.db2.gz IYNJXLHCRKAIAK-CXAGYDPISA-N 1 0 406.458 0.836 20 0 HCADRO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1F ZINC000535013992 1074746735 /nfs/dbraw/zinc/74/67/35/1074746735.db2.gz IYNJXLHCRKAIAK-DYVFJYSZSA-N 1 0 406.458 0.836 20 0 HCADRO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1F ZINC000535013993 1074746892 /nfs/dbraw/zinc/74/68/92/1074746892.db2.gz IYNJXLHCRKAIAK-GUYCJALGSA-N 1 0 406.458 0.836 20 0 HCADRO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1F ZINC000535013994 1074746868 /nfs/dbraw/zinc/74/68/68/1074746868.db2.gz IYNJXLHCRKAIAK-SUMWQHHRSA-N 1 0 406.458 0.836 20 0 HCADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000535049316 1074750324 /nfs/dbraw/zinc/75/03/24/1074750324.db2.gz HSYBYICIECFGLU-UHFFFAOYSA-N 1 0 400.545 0.883 20 0 HCADRO CC[NH+](CC)CCN(C(=O)[C@H]1CC(=O)N(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000535049975 1074750304 /nfs/dbraw/zinc/75/03/04/1074750304.db2.gz KLELIGHZDMDOAW-DLBZAZTESA-N 1 0 401.573 0.848 20 0 HCADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC(=O)N(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000535049997 1074750032 /nfs/dbraw/zinc/75/00/32/1074750032.db2.gz KLELIGHZDMDOAW-IAGOWNOFSA-N 1 0 401.573 0.848 20 0 HCADRO CC[NH+](CC)CCN(C(=O)[C@H]1CC(=O)N(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000535049998 1074750235 /nfs/dbraw/zinc/75/02/35/1074750235.db2.gz KLELIGHZDMDOAW-IRXDYDNUSA-N 1 0 401.573 0.848 20 0 HCADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC(=O)N(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000535049999 1074750433 /nfs/dbraw/zinc/75/04/33/1074750433.db2.gz KLELIGHZDMDOAW-SJORKVTESA-N 1 0 401.573 0.848 20 0 HCADRO COCCNc1nc(NC2C[C@H](C)O[C@@H](C)C2)nc(NC2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC000535051315 1074750373 /nfs/dbraw/zinc/75/03/73/1074750373.db2.gz ACCPGSNATDZCHZ-AJNGGQMLSA-N 1 0 408.547 0.931 20 0 HCADRO COCCNc1nc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000535051320 1074750399 /nfs/dbraw/zinc/75/03/99/1074750399.db2.gz ACCPGSNATDZCHZ-ZKOZSGJDSA-N 1 0 408.547 0.931 20 0 HCADRO COc1ccnc2c(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cccc12 ZINC000535059544 1074751077 /nfs/dbraw/zinc/75/10/77/1074751077.db2.gz JQSKEGXQENVWQM-AWEZNQCLSA-N 1 0 413.478 0.886 20 0 HCADRO COc1ccnc2c(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cccc12 ZINC000535059565 1074751055 /nfs/dbraw/zinc/75/10/55/1074751055.db2.gz JQSKEGXQENVWQM-CQSZACIVSA-N 1 0 413.478 0.886 20 0 HCADRO COC(=O)c1cc(NC(=O)C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)cc(C(=O)OC)c1 ZINC000535086543 1074751106 /nfs/dbraw/zinc/75/11/06/1074751106.db2.gz AXGHIQYQPCTTQG-AWEZNQCLSA-N 1 0 405.451 0.999 20 0 HCADRO COC(=O)c1cc(NC(=O)C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)cc(C(=O)OC)c1 ZINC000535086565 1074751432 /nfs/dbraw/zinc/75/14/32/1074751432.db2.gz AXGHIQYQPCTTQG-CQSZACIVSA-N 1 0 405.451 0.999 20 0 HCADRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000535087132 1074751493 /nfs/dbraw/zinc/75/14/93/1074751493.db2.gz FADRGUVEYLBEHM-BBRMVZONSA-N 1 0 404.467 0.714 20 0 HCADRO CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000535087142 1074751674 /nfs/dbraw/zinc/75/16/74/1074751674.db2.gz FADRGUVEYLBEHM-CJNGLKHVSA-N 1 0 404.467 0.714 20 0 HCADRO CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000535087143 1074751860 /nfs/dbraw/zinc/75/18/60/1074751860.db2.gz FADRGUVEYLBEHM-CZUORRHYSA-N 1 0 404.467 0.714 20 0 HCADRO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000535087145 1074751751 /nfs/dbraw/zinc/75/17/51/1074751751.db2.gz FADRGUVEYLBEHM-XJKSGUPXSA-N 1 0 404.467 0.714 20 0 HCADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c1 ZINC000535088525 1074752825 /nfs/dbraw/zinc/75/28/25/1074752825.db2.gz KBHWSAAFQPBLLL-NRFANRHFSA-N 1 0 418.494 0.707 20 0 HCADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c1 ZINC000535088535 1074752776 /nfs/dbraw/zinc/75/27/76/1074752776.db2.gz KBHWSAAFQPBLLL-OAQYLSRUSA-N 1 0 418.494 0.707 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@]1(O)CCOC1 ZINC000535089253 1074753448 /nfs/dbraw/zinc/75/34/48/1074753448.db2.gz MGVVOQMKUTTYOD-FQEVSTJZSA-N 1 0 406.483 0.043 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@]1(O)CCOC1 ZINC000535089265 1074753411 /nfs/dbraw/zinc/75/34/11/1074753411.db2.gz MGVVOQMKUTTYOD-HXUWFJFHSA-N 1 0 406.483 0.043 20 0 HCADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c1 ZINC000535091164 1074753814 /nfs/dbraw/zinc/75/38/14/1074753814.db2.gz XTQOWXCUNTWKRO-NRFANRHFSA-N 1 0 418.494 0.707 20 0 HCADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c1 ZINC000535091165 1074753766 /nfs/dbraw/zinc/75/37/66/1074753766.db2.gz XTQOWXCUNTWKRO-OAQYLSRUSA-N 1 0 418.494 0.707 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000535092866 1074753746 /nfs/dbraw/zinc/75/37/46/1074753746.db2.gz YROLPEQAHUTJML-FQEVSTJZSA-N 1 0 402.539 0.492 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)CC1 ZINC000535092867 1074753857 /nfs/dbraw/zinc/75/38/57/1074753857.db2.gz YROLPEQAHUTJML-HXUWFJFHSA-N 1 0 402.539 0.492 20 0 HCADRO CCc1noc(C)c1NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000535108754 1074752883 /nfs/dbraw/zinc/75/28/83/1074752883.db2.gz BRPGFMVMVLTJAI-UHFFFAOYSA-N 1 0 415.498 0.993 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000535109025 1074752607 /nfs/dbraw/zinc/75/26/07/1074752607.db2.gz CKQFDFITJFIWCQ-IBGZPJMESA-N 1 0 423.583 0.657 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000535109073 1074752583 /nfs/dbraw/zinc/75/25/83/1074752583.db2.gz CKQFDFITJFIWCQ-LJQANCHMSA-N 1 0 423.583 0.657 20 0 HCADRO COCC[N@H+](C)CCNC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000535110917 1074757233 /nfs/dbraw/zinc/75/72/33/1074757233.db2.gz KPUNTZGXLUSIFN-UHFFFAOYSA-N 1 0 412.556 0.990 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N(C)CC[NH+](C)C)c1 ZINC000535113622 1074755064 /nfs/dbraw/zinc/75/50/64/1074755064.db2.gz XLNVAQZIVZEOPO-UHFFFAOYSA-N 1 0 413.544 0.799 20 0 HCADRO C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@H]1CCC[C@H]1O ZINC000535117587 1074755413 /nfs/dbraw/zinc/75/54/13/1074755413.db2.gz VARLXCJLCLKURI-HLIPFELVSA-N 1 0 417.506 0.590 20 0 HCADRO C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@@H]1CCC[C@H]1O ZINC000535117595 1074755585 /nfs/dbraw/zinc/75/55/85/1074755585.db2.gz VARLXCJLCLKURI-QKLQHJQFSA-N 1 0 417.506 0.590 20 0 HCADRO C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@H]1CCC[C@@H]1O ZINC000535117598 1074755555 /nfs/dbraw/zinc/75/55/55/1074755555.db2.gz VARLXCJLCLKURI-UWVAXJGDSA-N 1 0 417.506 0.590 20 0 HCADRO C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535117601 1074755498 /nfs/dbraw/zinc/75/54/98/1074755498.db2.gz VARLXCJLCLKURI-ZWOKBUDYSA-N 1 0 417.506 0.590 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000535124305 1074756626 /nfs/dbraw/zinc/75/66/26/1074756626.db2.gz AMKATUFEGYCQEY-AWEZNQCLSA-N 1 0 400.501 0.202 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000535124309 1074756720 /nfs/dbraw/zinc/75/67/20/1074756720.db2.gz AMKATUFEGYCQEY-CQSZACIVSA-N 1 0 400.501 0.202 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)co1 ZINC000535137559 1074757849 /nfs/dbraw/zinc/75/78/49/1074757849.db2.gz JXCADSVWFDBMPF-UHFFFAOYSA-N 1 0 420.491 0.505 20 0 HCADRO COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1 ZINC000535139043 1074758247 /nfs/dbraw/zinc/75/82/47/1074758247.db2.gz UHZUIMFVLISAHI-UHFFFAOYSA-N 1 0 409.464 0.763 20 0 HCADRO Cn1nnnc1-c1cccc(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC000535139442 1074758204 /nfs/dbraw/zinc/75/82/04/1074758204.db2.gz UXSYHLBZORYBDY-UHFFFAOYSA-N 1 0 403.468 0.401 20 0 HCADRO CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC000535139472 1074758336 /nfs/dbraw/zinc/75/83/36/1074758336.db2.gz VLSYSGNVNOMLNJ-UHFFFAOYSA-N 1 0 414.509 0.119 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3coc(S(=O)(=O)N(C)C)c3)cn2)CC1 ZINC000535139997 1074758304 /nfs/dbraw/zinc/75/83/04/1074758304.db2.gz CHFXYDICOWROTM-UHFFFAOYSA-N 1 0 421.523 0.997 20 0 HCADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535140485 1074758224 /nfs/dbraw/zinc/75/82/24/1074758224.db2.gz DLHGSQRRUBXSHU-PBHICJAKSA-N 1 0 411.572 0.894 20 0 HCADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535140521 1074758317 /nfs/dbraw/zinc/75/83/17/1074758317.db2.gz DLHGSQRRUBXSHU-RHSMWYFYSA-N 1 0 411.572 0.894 20 0 HCADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535140529 1074758216 /nfs/dbraw/zinc/75/82/16/1074758216.db2.gz DLHGSQRRUBXSHU-WMLDXEAASA-N 1 0 411.572 0.894 20 0 HCADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535140535 1074758366 /nfs/dbraw/zinc/75/83/66/1074758366.db2.gz DLHGSQRRUBXSHU-YOEHRIQHSA-N 1 0 411.572 0.894 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C2)CC1 ZINC000535141708 1074758737 /nfs/dbraw/zinc/75/87/37/1074758737.db2.gz JMRFPKZVPUYKRY-INIZCTEOSA-N 1 0 410.540 0.840 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C2)CC1 ZINC000535141711 1074758754 /nfs/dbraw/zinc/75/87/54/1074758754.db2.gz JMRFPKZVPUYKRY-MRXNPFEDSA-N 1 0 410.540 0.840 20 0 HCADRO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000535143600 1074759104 /nfs/dbraw/zinc/75/91/04/1074759104.db2.gz RJBKJFUGLSMPBG-HNNXBMFYSA-N 1 0 401.554 0.947 20 0 HCADRO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000535143609 1074759041 /nfs/dbraw/zinc/75/90/41/1074759041.db2.gz RJBKJFUGLSMPBG-OAHLLOKOSA-N 1 0 401.554 0.947 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C2)CC1 ZINC000535148376 1074759684 /nfs/dbraw/zinc/75/96/84/1074759684.db2.gz KHZZPFIAYKDVOD-AWEZNQCLSA-N 1 0 422.507 0.432 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C2)CC1 ZINC000535148392 1074759699 /nfs/dbraw/zinc/75/96/99/1074759699.db2.gz KHZZPFIAYKDVOD-CQSZACIVSA-N 1 0 422.507 0.432 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000535154124 1074762467 /nfs/dbraw/zinc/76/24/67/1074762467.db2.gz ZWGRDGVVOSPDAP-UHFFFAOYSA-N 1 0 400.501 0.156 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(c3ccc(S(N)(=O)=O)cc3S(C)(=O)=O)C2)CC1 ZINC000535156707 1074762905 /nfs/dbraw/zinc/76/29/05/1074762905.db2.gz AXWOURRJRCZNGD-AWEZNQCLSA-N 1 0 401.554 0.906 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3S(C)(=O)=O)C2)CC1 ZINC000535156715 1074762849 /nfs/dbraw/zinc/76/28/49/1074762849.db2.gz AXWOURRJRCZNGD-CQSZACIVSA-N 1 0 401.554 0.906 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)co1 ZINC000535160856 1074760513 /nfs/dbraw/zinc/76/05/13/1074760513.db2.gz FZKNUVCARMDGQR-UHFFFAOYSA-N 1 0 407.496 0.607 20 0 HCADRO COc1ccc(Cn2nccc2NC(=O)C(=O)NCC[NH+](C)C)c(OC)c1OC ZINC000535164760 1074761259 /nfs/dbraw/zinc/76/12/59/1074761259.db2.gz CBIJUPSHKMCRFK-UHFFFAOYSA-N 1 0 405.455 0.574 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)n(Cc2ccccc2)n1 ZINC000535167913 1074761468 /nfs/dbraw/zinc/76/14/68/1074761468.db2.gz QKHUBFWXLKASHF-KRWDZBQOSA-N 1 0 412.494 0.634 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)n(Cc2ccccc2)n1 ZINC000535167922 1074761524 /nfs/dbraw/zinc/76/15/24/1074761524.db2.gz QKHUBFWXLKASHF-QGZVFWFLSA-N 1 0 412.494 0.634 20 0 HCADRO COC(=O)CCSc1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000535168457 1074761768 /nfs/dbraw/zinc/76/17/68/1074761768.db2.gz PPVKDIWXUWHWBU-UHFFFAOYSA-N 1 0 409.508 0.853 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccnn2Cc2ccccc2)C1 ZINC000535169306 1074762065 /nfs/dbraw/zinc/76/20/65/1074762065.db2.gz YBMYHJLIYPDNPW-KRWDZBQOSA-N 1 0 412.494 0.574 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccnn2Cc2ccccc2)C1 ZINC000535169309 1074762259 /nfs/dbraw/zinc/76/22/59/1074762259.db2.gz YBMYHJLIYPDNPW-QGZVFWFLSA-N 1 0 412.494 0.574 20 0 HCADRO COCC(=O)N1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000535178092 1074764263 /nfs/dbraw/zinc/76/42/63/1074764263.db2.gz GPGMOJVNHBBEHH-DFNIBXOVSA-N 1 0 407.559 0.576 20 0 HCADRO CCS(=O)(=O)NCCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535183911 1074763224 /nfs/dbraw/zinc/76/32/24/1074763224.db2.gz ALACMMMFGSGXOC-SJPCQFCGSA-N 1 0 401.577 0.268 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535186504 1074763322 /nfs/dbraw/zinc/76/33/22/1074763322.db2.gz KYXDXNMWWSTYNK-JWTNVVGKSA-N 1 0 415.604 0.610 20 0 HCADRO CC[NH+]1CCC(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)CC1 ZINC000535213267 1074767244 /nfs/dbraw/zinc/76/72/44/1074767244.db2.gz XEJCLACGJSBSQE-UHFFFAOYSA-N 1 0 405.518 0.982 20 0 HCADRO COC(=O)CN(C)C(=O)CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000535213649 1074767210 /nfs/dbraw/zinc/76/72/10/1074767210.db2.gz ZIAJNWFKRDFRLQ-UHFFFAOYSA-N 1 0 410.902 0.918 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)CC1 ZINC000535217664 1074767428 /nfs/dbraw/zinc/76/74/28/1074767428.db2.gz AKYPRFONURFSJJ-KRWDZBQOSA-N 1 0 404.515 0.938 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)CC1 ZINC000535217687 1074767439 /nfs/dbraw/zinc/76/74/39/1074767439.db2.gz AKYPRFONURFSJJ-QGZVFWFLSA-N 1 0 404.515 0.938 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2)CC1 ZINC000535220352 1074767729 /nfs/dbraw/zinc/76/77/29/1074767729.db2.gz MRILMECQPUXBQM-KRWDZBQOSA-N 1 0 404.515 0.938 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2)CC1 ZINC000535220362 1074767966 /nfs/dbraw/zinc/76/79/66/1074767966.db2.gz MRILMECQPUXBQM-QGZVFWFLSA-N 1 0 404.515 0.938 20 0 HCADRO COc1ccc(Cn2ncc(C)c2NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1OC ZINC000535223639 1074767830 /nfs/dbraw/zinc/76/78/30/1074767830.db2.gz CGYFQGNTLMHAOX-HNNXBMFYSA-N 1 0 419.482 0.234 20 0 HCADRO COc1ccc(Cn2ncc(C)c2NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1OC ZINC000535223650 1074767754 /nfs/dbraw/zinc/76/77/54/1074767754.db2.gz CGYFQGNTLMHAOX-OAHLLOKOSA-N 1 0 419.482 0.234 20 0 HCADRO COc1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1S(=O)(=O)N(C)C ZINC000535223720 1074767778 /nfs/dbraw/zinc/76/77/78/1074767778.db2.gz BWQKLBPBVVJHTG-UHFFFAOYSA-N 1 0 422.507 0.921 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000535224029 1074767921 /nfs/dbraw/zinc/76/79/21/1074767921.db2.gz FKAQGQDLYHHOHH-AWEZNQCLSA-N 1 0 413.400 0.927 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000535224085 1074767897 /nfs/dbraw/zinc/76/78/97/1074767897.db2.gz FKAQGQDLYHHOHH-CQSZACIVSA-N 1 0 413.400 0.927 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000535224488 1074768282 /nfs/dbraw/zinc/76/82/82/1074768282.db2.gz HWEXOGREYRXEOY-GFCCVEGCSA-N 1 0 410.272 0.612 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000535224505 1074768247 /nfs/dbraw/zinc/76/82/47/1074768247.db2.gz HWEXOGREYRXEOY-LBPRGKRZSA-N 1 0 410.272 0.612 20 0 HCADRO CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)C2=O ZINC000535225242 1074768332 /nfs/dbraw/zinc/76/83/32/1074768332.db2.gz JPTUMISAEQNRFX-UHFFFAOYSA-N 1 0 403.483 0.849 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)ccc1=O ZINC000535226006 1074768152 /nfs/dbraw/zinc/76/81/52/1074768152.db2.gz PVAYUWALAKINKC-UHFFFAOYSA-N 1 0 404.492 0.984 20 0 HCADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC2CCS(=O)(=O)CC2)CC1 ZINC000535226797 1074768230 /nfs/dbraw/zinc/76/82/30/1074768230.db2.gz RUNCVIIFVYOMJP-UHFFFAOYSA-N 1 0 416.588 0.737 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccnn2Cc2ccccc2F)CC1 ZINC000535227401 1074768617 /nfs/dbraw/zinc/76/86/17/1074768617.db2.gz XCMFWLMXYZZSAY-UHFFFAOYSA-N 1 0 402.474 0.763 20 0 HCADRO COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535228733 1074766325 /nfs/dbraw/zinc/76/63/25/1074766325.db2.gz CIWLJZVQXYUEHI-XYPWUTKMSA-N 1 0 422.551 0.726 20 0 HCADRO CNS(=O)(=O)c1cccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000535231893 1074766886 /nfs/dbraw/zinc/76/68/86/1074766886.db2.gz WBZBFKPVMQERQS-JWTNVVGKSA-N 1 0 406.552 0.978 20 0 HCADRO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(CC[NH+]3CCCC3)CC1)C2=O ZINC000535233119 1074766789 /nfs/dbraw/zinc/76/67/89/1074766789.db2.gz IGUJDTKLXFKFLB-OPMZPASUSA-N 1 0 419.570 0.973 20 0 HCADRO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(CC[NH+]3CCCC3)CC1)C2=O ZINC000535233135 1074766770 /nfs/dbraw/zinc/76/67/70/1074766770.db2.gz IGUJDTKLXFKFLB-QZTJIDSGSA-N 1 0 419.570 0.973 20 0 HCADRO C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(CC[NH+]3CCCC3)CC1)C2=O ZINC000535233136 1074766874 /nfs/dbraw/zinc/76/68/74/1074766874.db2.gz IGUJDTKLXFKFLB-ROUUACIJSA-N 1 0 419.570 0.973 20 0 HCADRO CC(C)C(=O)NCCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000535236557 1074769223 /nfs/dbraw/zinc/76/92/23/1074769223.db2.gz DVOWXQZELCYYKT-UHFFFAOYSA-N 1 0 403.527 0.651 20 0 HCADRO Cn1ccnc1[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000535237402 1074769398 /nfs/dbraw/zinc/76/93/98/1074769398.db2.gz MJKVIBGVQWESAN-INIZCTEOSA-N 1 0 411.462 0.847 20 0 HCADRO Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000535237416 1074769325 /nfs/dbraw/zinc/76/93/25/1074769325.db2.gz MJKVIBGVQWESAN-MRXNPFEDSA-N 1 0 411.462 0.847 20 0 HCADRO Cn1ccnc1[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1 ZINC000535237769 1074769481 /nfs/dbraw/zinc/76/94/81/1074769481.db2.gz IPTZOETYBPQVEX-INIZCTEOSA-N 1 0 406.446 0.980 20 0 HCADRO Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1 ZINC000535237783 1074769453 /nfs/dbraw/zinc/76/94/53/1074769453.db2.gz IPTZOETYBPQVEX-MRXNPFEDSA-N 1 0 406.446 0.980 20 0 HCADRO Cn1ccnc1[C@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000535237909 1074769345 /nfs/dbraw/zinc/76/93/45/1074769345.db2.gz PKTGYRDNRMSTKE-AWEZNQCLSA-N 1 0 417.491 0.915 20 0 HCADRO Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000535237913 1074769262 /nfs/dbraw/zinc/76/92/62/1074769262.db2.gz PKTGYRDNRMSTKE-CQSZACIVSA-N 1 0 417.491 0.915 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)C2)CC1 ZINC000535238252 1074769661 /nfs/dbraw/zinc/76/96/61/1074769661.db2.gz LFQRKZXHNMQMJB-GOSISDBHSA-N 1 0 418.542 0.344 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)C2)CC1 ZINC000535238271 1074769756 /nfs/dbraw/zinc/76/97/56/1074769756.db2.gz LFQRKZXHNMQMJB-SFHVURJKSA-N 1 0 418.542 0.344 20 0 HCADRO CCn1cc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1=O ZINC000535238344 1074770022 /nfs/dbraw/zinc/77/00/22/1074770022.db2.gz LPZGARAWKPPIMD-JWTNVVGKSA-N 1 0 401.511 0.576 20 0 HCADRO CN(C)c1ncc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000535239255 1074770397 /nfs/dbraw/zinc/77/03/97/1074770397.db2.gz PGPATGSHEGMVRB-SJPCQFCGSA-N 1 0 401.515 0.251 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OCC(N)=O ZINC000535239256 1074770306 /nfs/dbraw/zinc/77/03/06/1074770306.db2.gz QKRMQMRIRSRHIS-HNNXBMFYSA-N 1 0 418.494 0.688 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OCC(N)=O ZINC000535239533 1074770109 /nfs/dbraw/zinc/77/01/09/1074770109.db2.gz QKRMQMRIRSRHIS-OAHLLOKOSA-N 1 0 418.494 0.688 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NCC2CCS(=O)(=O)CC2)c(OCC[NH+](C)C)c1 ZINC000535239812 1074770060 /nfs/dbraw/zinc/77/00/60/1074770060.db2.gz RNZLMSFKUBSUOV-UHFFFAOYSA-N 1 0 411.524 0.815 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000535239918 1074770002 /nfs/dbraw/zinc/77/00/02/1074770002.db2.gz TYKCUKSTOKEHIN-HNNXBMFYSA-N 1 0 408.524 0.771 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000535239923 1074770076 /nfs/dbraw/zinc/77/00/76/1074770076.db2.gz TYKCUKSTOKEHIN-OAHLLOKOSA-N 1 0 408.524 0.771 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(=O)n(C)c1 ZINC000535240456 1074770497 /nfs/dbraw/zinc/77/04/97/1074770497.db2.gz VUBFEEQRPCYJTF-SJPCQFCGSA-N 1 0 401.511 0.402 20 0 HCADRO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535240774 1074770466 /nfs/dbraw/zinc/77/04/66/1074770466.db2.gz YLAAPVITJCFILW-JWTNVVGKSA-N 1 0 413.522 0.802 20 0 HCADRO O=C(C[NH+]1CCC(OCCO)CC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000535242384 1074770872 /nfs/dbraw/zinc/77/08/72/1074770872.db2.gz JJTIPPZTAAQDKK-UHFFFAOYSA-N 1 0 403.523 0.739 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1S(=O)(=O)N(C)C ZINC000535245705 1074771054 /nfs/dbraw/zinc/77/10/54/1074771054.db2.gz FZTLLAVFGKLYAR-HNNXBMFYSA-N 1 0 424.523 0.581 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1S(=O)(=O)N(C)C ZINC000535245712 1074771139 /nfs/dbraw/zinc/77/11/39/1074771139.db2.gz FZTLLAVFGKLYAR-OAHLLOKOSA-N 1 0 424.523 0.581 20 0 HCADRO COc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)ccc1S(=O)(=O)N(C)C ZINC000535246758 1074771599 /nfs/dbraw/zinc/77/15/99/1074771599.db2.gz NGSMHPRPQITJAT-UHFFFAOYSA-N 1 0 424.523 0.627 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)ccc1=O ZINC000535250942 1074772270 /nfs/dbraw/zinc/77/22/70/1074772270.db2.gz HDXIPTMNYNLPHW-UHFFFAOYSA-N 1 0 412.244 0.073 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000535251807 1074772201 /nfs/dbraw/zinc/77/22/01/1074772201.db2.gz QWJSAYXICALWRX-UHFFFAOYSA-N 1 0 414.528 0.732 20 0 HCADRO C[C@H](CNC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O)C[NH+]1CCN(C)CC1 ZINC000535252173 1074772213 /nfs/dbraw/zinc/77/22/13/1074772213.db2.gz NBHWJRFQXYEOEC-BRWVUGGUSA-N 1 0 407.559 0.733 20 0 HCADRO C[C@@H](CNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O)C[NH+]1CCN(C)CC1 ZINC000535252178 1074772361 /nfs/dbraw/zinc/77/23/61/1074772361.db2.gz NBHWJRFQXYEOEC-DLRJPAPCSA-N 1 0 407.559 0.733 20 0 HCADRO C[C@H](CNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O)C[NH+]1CCN(C)CC1 ZINC000535252179 1074772241 /nfs/dbraw/zinc/77/22/41/1074772241.db2.gz NBHWJRFQXYEOEC-KYFSNAEOSA-N 1 0 407.559 0.733 20 0 HCADRO C[C@H](CNC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O)C[NH+]1CCN(C)CC1 ZINC000535252181 1074772315 /nfs/dbraw/zinc/77/23/15/1074772315.db2.gz NBHWJRFQXYEOEC-YESZJQIVSA-N 1 0 407.559 0.733 20 0 HCADRO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1 ZINC000535255054 1074776713 /nfs/dbraw/zinc/77/67/13/1074776713.db2.gz JAWOLHZCTHPVBY-AWEZNQCLSA-N 1 0 422.507 0.724 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)Cc1ccccc1 ZINC000535255816 1074777046 /nfs/dbraw/zinc/77/70/46/1074777046.db2.gz WYUQEDZVPILTBU-BZSNNMDCSA-N 1 0 407.536 0.311 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)Cc1ccccc1 ZINC000535255821 1074776971 /nfs/dbraw/zinc/77/69/71/1074776971.db2.gz WYUQEDZVPILTBU-KSZLIROESA-N 1 0 407.536 0.311 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)Cc1ccccc1 ZINC000535255822 1074776903 /nfs/dbraw/zinc/77/69/03/1074776903.db2.gz WYUQEDZVPILTBU-KURKYZTESA-N 1 0 407.536 0.311 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)Cc1ccccc1 ZINC000535255823 1074777021 /nfs/dbraw/zinc/77/70/21/1074777021.db2.gz WYUQEDZVPILTBU-SQNIBIBYSA-N 1 0 407.536 0.311 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC000535256626 1074777015 /nfs/dbraw/zinc/77/70/15/1074777015.db2.gz CHEYGBNVBSEAAZ-HNNXBMFYSA-N 1 0 406.512 0.472 20 0 HCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC000535256634 1074776925 /nfs/dbraw/zinc/77/69/25/1074776925.db2.gz CHEYGBNVBSEAAZ-OAHLLOKOSA-N 1 0 406.512 0.472 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)Cc1ccccc1 ZINC000535257844 1074772961 /nfs/dbraw/zinc/77/29/61/1074772961.db2.gz LKKSCZAURVSESC-INIZCTEOSA-N 1 0 404.492 0.713 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)Cc1ccccc1 ZINC000535257849 1074772876 /nfs/dbraw/zinc/77/28/76/1074772876.db2.gz LKKSCZAURVSESC-MRXNPFEDSA-N 1 0 404.492 0.713 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c2ccccc2O1 ZINC000535258078 1074773047 /nfs/dbraw/zinc/77/30/47/1074773047.db2.gz MHEKURPEFBIIBB-FXAWDEMLSA-N 1 0 424.501 0.816 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c2ccccc2O1 ZINC000535258083 1074772900 /nfs/dbraw/zinc/77/29/00/1074772900.db2.gz MHEKURPEFBIIBB-PXNSSMCTSA-N 1 0 424.501 0.816 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c2ccccc2O1 ZINC000535258085 1074773032 /nfs/dbraw/zinc/77/30/32/1074773032.db2.gz MHEKURPEFBIIBB-XLIONFOSSA-N 1 0 424.501 0.816 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c2ccccc2O1 ZINC000535258087 1074773008 /nfs/dbraw/zinc/77/30/08/1074773008.db2.gz MHEKURPEFBIIBB-YLJYHZDGSA-N 1 0 424.501 0.816 20 0 HCADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cn1C ZINC000535258552 1074773307 /nfs/dbraw/zinc/77/33/07/1074773307.db2.gz SNZYHFYVFCLNPP-KRWDZBQOSA-N 1 0 407.540 0.686 20 0 HCADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cn1C ZINC000535258555 1074773338 /nfs/dbraw/zinc/77/33/38/1074773338.db2.gz SNZYHFYVFCLNPP-QGZVFWFLSA-N 1 0 407.540 0.686 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCNc3cc[nH+]cc3)CC2)cc1 ZINC000535258883 1074773476 /nfs/dbraw/zinc/77/34/76/1074773476.db2.gz XHEUFFAXYOZJNF-UHFFFAOYSA-N 1 0 417.535 0.347 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl ZINC000535259379 1074773442 /nfs/dbraw/zinc/77/34/42/1074773442.db2.gz CWLYTNYXQWDUKS-UHFFFAOYSA-N 1 0 402.842 0.853 20 0 HCADRO CC(C)S(=O)(=O)Cc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000535259634 1074773521 /nfs/dbraw/zinc/77/35/21/1074773521.db2.gz CCFVEPAVRDBXED-UHFFFAOYSA-N 1 0 404.492 0.994 20 0 HCADRO COc1cc(CNC(=O)NCCNc2cc[nH+]cc2)ccc1OCC(=O)N(C)C ZINC000535259768 1074773465 /nfs/dbraw/zinc/77/34/65/1074773465.db2.gz DXISJNVBJITLIK-UHFFFAOYSA-N 1 0 401.467 0.890 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000535259849 1074773362 /nfs/dbraw/zinc/77/33/62/1074773362.db2.gz FSFSCFZPOHYUBS-LEWJYISDSA-N 1 0 416.566 0.989 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000535259855 1074773452 /nfs/dbraw/zinc/77/34/52/1074773452.db2.gz FSFSCFZPOHYUBS-NHCUHLMSSA-N 1 0 416.566 0.989 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000535259856 1074773547 /nfs/dbraw/zinc/77/35/47/1074773547.db2.gz FSFSCFZPOHYUBS-RTWAWAEBSA-N 1 0 416.566 0.989 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000535259857 1074773408 /nfs/dbraw/zinc/77/34/08/1074773408.db2.gz FSFSCFZPOHYUBS-SFTDATJTSA-N 1 0 416.566 0.989 20 0 HCADRO Cc1c(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cccc1S(=O)(=O)NC1CC1 ZINC000535260313 1074773793 /nfs/dbraw/zinc/77/37/93/1074773793.db2.gz HBAPOBIZLXXUEP-UHFFFAOYSA-N 1 0 417.491 0.419 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)Cc1ccccc1 ZINC000535260489 1074773888 /nfs/dbraw/zinc/77/38/88/1074773888.db2.gz IVXOVHJRFZQADZ-PMACEKPBSA-N 1 0 402.539 0.456 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)Cc1ccccc1 ZINC000535260507 1074773983 /nfs/dbraw/zinc/77/39/83/1074773983.db2.gz IVXOVHJRFZQADZ-UXHICEINSA-N 1 0 402.539 0.456 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)Cc1ccccc1 ZINC000535260508 1074773728 /nfs/dbraw/zinc/77/37/28/1074773728.db2.gz IVXOVHJRFZQADZ-VQTJNVASSA-N 1 0 402.539 0.456 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)Cc1ccccc1 ZINC000535260509 1074773852 /nfs/dbraw/zinc/77/38/52/1074773852.db2.gz IVXOVHJRFZQADZ-WOJBJXKFSA-N 1 0 402.539 0.456 20 0 HCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000535261741 1074773937 /nfs/dbraw/zinc/77/39/37/1074773937.db2.gz PMABODUMURBZLO-UHFFFAOYSA-N 1 0 417.491 0.453 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000535261848 1074773778 /nfs/dbraw/zinc/77/37/78/1074773778.db2.gz QRJDVHSRTZQZDF-UHFFFAOYSA-N 1 0 417.491 0.455 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000535261999 1074773751 /nfs/dbraw/zinc/77/37/51/1074773751.db2.gz SJUQWLSYTLVNME-UHFFFAOYSA-N 1 0 418.590 0.266 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000535262023 1074773956 /nfs/dbraw/zinc/77/39/56/1074773956.db2.gz QFNCZEBJJNFVGH-UHFFFAOYSA-N 1 0 405.547 0.087 20 0 HCADRO NC(=O)C1CCN(c2ccccc2NC(=O)C(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000535262032 1074773716 /nfs/dbraw/zinc/77/37/16/1074773716.db2.gz QNXJRNMRRZTZLI-UHFFFAOYSA-N 1 0 410.478 0.372 20 0 HCADRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000535262305 1074774584 /nfs/dbraw/zinc/77/45/84/1074774584.db2.gz SLFNCHUTWRTYJR-UHFFFAOYSA-N 1 0 411.462 0.451 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000535262346 1074774652 /nfs/dbraw/zinc/77/46/52/1074774652.db2.gz UGMCZWZZPOTQOZ-UHFFFAOYSA-N 1 0 407.430 0.676 20 0 HCADRO O=C(NCCN1CCN(c2ncccn2)CC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000535262506 1074774702 /nfs/dbraw/zinc/77/47/02/1074774702.db2.gz VXXKJSDRLNOFNE-GOSISDBHSA-N 1 0 417.558 0.399 20 0 HCADRO O=C(NCCN1CCN(c2ncccn2)CC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000535262521 1074774616 /nfs/dbraw/zinc/77/46/16/1074774616.db2.gz VXXKJSDRLNOFNE-SFHVURJKSA-N 1 0 417.558 0.399 20 0 HCADRO C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000535262690 1074774316 /nfs/dbraw/zinc/77/43/16/1074774316.db2.gz WHLZPBKRGFGWAV-CGTJXYLNSA-N 1 0 424.567 0.398 20 0 HCADRO C[C@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000535262696 1074774198 /nfs/dbraw/zinc/77/41/98/1074774198.db2.gz WHLZPBKRGFGWAV-JQHSSLGASA-N 1 0 424.567 0.398 20 0 HCADRO C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000535262697 1074774363 /nfs/dbraw/zinc/77/43/63/1074774363.db2.gz WHLZPBKRGFGWAV-RYQLBKOJSA-N 1 0 424.567 0.398 20 0 HCADRO C[C@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000535262702 1074774185 /nfs/dbraw/zinc/77/41/85/1074774185.db2.gz WHLZPBKRGFGWAV-SZMVWBNQSA-N 1 0 424.567 0.398 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)c(OCC[NH+](C)C)c1 ZINC000535262791 1074774208 /nfs/dbraw/zinc/77/42/08/1074774208.db2.gz WQSWOZRXXYNYLL-UHFFFAOYSA-N 1 0 402.451 0.900 20 0 HCADRO O=C(NCCN1CCN(c2ncccn2)CC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000535262870 1074774216 /nfs/dbraw/zinc/77/42/16/1074774216.db2.gz XSMZEYQVXBLBTR-UHFFFAOYSA-N 1 0 417.558 0.543 20 0 HCADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000535263043 1074774397 /nfs/dbraw/zinc/77/43/97/1074774397.db2.gz ZKCFLRZYBJOALI-UHFFFAOYSA-N 1 0 405.480 0.357 20 0 HCADRO COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000535263056 1074774261 /nfs/dbraw/zinc/77/42/61/1074774261.db2.gz ZMHFLSISPUBUDI-UHFFFAOYSA-N 1 0 411.462 0.915 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)C2)CC1 ZINC000535263450 1074774939 /nfs/dbraw/zinc/77/49/39/1074774939.db2.gz XZKWOPZOBDSAFD-IBGZPJMESA-N 1 0 416.574 0.020 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)C2)CC1 ZINC000535263451 1074775013 /nfs/dbraw/zinc/77/50/13/1074775013.db2.gz XZKWOPZOBDSAFD-LJQANCHMSA-N 1 0 416.574 0.020 20 0 HCADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000535263945 1074774723 /nfs/dbraw/zinc/77/47/23/1074774723.db2.gz CKEZKULSXZLWPH-INIZCTEOSA-N 1 0 408.524 0.842 20 0 HCADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000535263954 1074774593 /nfs/dbraw/zinc/77/45/93/1074774593.db2.gz CKEZKULSXZLWPH-MRXNPFEDSA-N 1 0 408.524 0.842 20 0 HCADRO COc1cccc(Cn2nccc2NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1OC ZINC000535264536 1074775039 /nfs/dbraw/zinc/77/50/39/1074775039.db2.gz FLCLWXWJGVWRJG-UHFFFAOYSA-N 1 0 424.461 0.932 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2)CC1 ZINC000535268974 1074775711 /nfs/dbraw/zinc/77/57/11/1074775711.db2.gz HBRGCKIDLAIESI-GOSISDBHSA-N 1 0 424.505 0.635 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2)CC1 ZINC000535268981 1074775767 /nfs/dbraw/zinc/77/57/67/1074775767.db2.gz HBRGCKIDLAIESI-SFHVURJKSA-N 1 0 424.505 0.635 20 0 HCADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccnn1Cc1ccccc1F ZINC000535269680 1074776050 /nfs/dbraw/zinc/77/60/50/1074776050.db2.gz JVAWLWAXFILSDA-HNNXBMFYSA-N 1 0 402.474 0.761 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccnn1Cc1ccccc1F ZINC000535269685 1074775989 /nfs/dbraw/zinc/77/59/89/1074775989.db2.gz JVAWLWAXFILSDA-OAHLLOKOSA-N 1 0 402.474 0.761 20 0 HCADRO CC[NH+](CC)CCN(C(=O)CNC(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000535274679 1074779930 /nfs/dbraw/zinc/77/99/30/1074779930.db2.gz FMICYEUDASTZJV-GOSISDBHSA-N 1 0 409.552 0.703 20 0 HCADRO CC[NH+](CC)CCN(C(=O)CNC(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000535274689 1074779979 /nfs/dbraw/zinc/77/99/79/1074779979.db2.gz FMICYEUDASTZJV-SFHVURJKSA-N 1 0 409.552 0.703 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000535275384 1074780741 /nfs/dbraw/zinc/78/07/41/1074780741.db2.gz KZRMPQKFNNNZOL-KRWDZBQOSA-N 1 0 400.479 0.766 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000535275387 1074780621 /nfs/dbraw/zinc/78/06/21/1074780621.db2.gz KZRMPQKFNNNZOL-QGZVFWFLSA-N 1 0 400.479 0.766 20 0 HCADRO CC[NH+](CC)CCN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000535275491 1074780314 /nfs/dbraw/zinc/78/03/14/1074780314.db2.gz MGTHSZIPCVKBNU-GOSISDBHSA-N 1 0 420.539 0.562 20 0 HCADRO CC[NH+](CC)CCN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000535275507 1074780191 /nfs/dbraw/zinc/78/01/91/1074780191.db2.gz MGTHSZIPCVKBNU-SFHVURJKSA-N 1 0 420.539 0.562 20 0 HCADRO CC[NH+](CC)CCN(C(=O)c1cnc2n(c1=O)CCS2)[C@@H]1CCS(=O)(=O)C1 ZINC000535275794 1074780236 /nfs/dbraw/zinc/78/02/36/1074780236.db2.gz NYKQGKBHVLEEFT-CYBMUJFWSA-N 1 0 414.553 0.320 20 0 HCADRO CC[NH+](CC)CCN(C(=O)c1cnc2n(c1=O)CCS2)[C@H]1CCS(=O)(=O)C1 ZINC000535275822 1074780363 /nfs/dbraw/zinc/78/03/63/1074780363.db2.gz NYKQGKBHVLEEFT-ZDUSSCGKSA-N 1 0 414.553 0.320 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H](CO)CC(F)(F)F)cc21 ZINC000535276703 1074780530 /nfs/dbraw/zinc/78/05/30/1074780530.db2.gz KGWZPBAYUAGWNK-LLVKDONJSA-N 1 0 418.372 0.524 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H](CO)CC(F)(F)F)cc21 ZINC000535276715 1074780757 /nfs/dbraw/zinc/78/07/57/1074780757.db2.gz KGWZPBAYUAGWNK-NSHDSACASA-N 1 0 418.372 0.524 20 0 HCADRO CC[NH+](CC)CCN(C(=O)CCn1c(C)csc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000535276888 1074780555 /nfs/dbraw/zinc/78/05/55/1074780555.db2.gz PAVSLIFSBKBORE-HNNXBMFYSA-N 1 0 403.570 0.966 20 0 HCADRO CC[NH+](CC)CCN(C(=O)CCn1c(C)csc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000535276899 1074780659 /nfs/dbraw/zinc/78/06/59/1074780659.db2.gz PAVSLIFSBKBORE-OAHLLOKOSA-N 1 0 403.570 0.966 20 0 HCADRO CC[NH+](CC)CCN(C(=O)CSc1nnnn1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000535277735 1074781071 /nfs/dbraw/zinc/78/10/71/1074781071.db2.gz VBSNXVFCPMYDEL-AWEZNQCLSA-N 1 0 416.573 0.458 20 0 HCADRO CC[NH+](CC)CCN(C(=O)CSc1nnnn1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000535277742 1074781086 /nfs/dbraw/zinc/78/10/86/1074781086.db2.gz VBSNXVFCPMYDEL-CQSZACIVSA-N 1 0 416.573 0.458 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC(OCCO)CC3)cc2)CC1 ZINC000535278645 1074780890 /nfs/dbraw/zinc/78/08/90/1074780890.db2.gz VNTSFDPNUXGCMB-UHFFFAOYSA-N 1 0 418.538 0.763 20 0 HCADRO O=S1(=O)CCC(O)(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000535281273 1074777235 /nfs/dbraw/zinc/77/72/35/1074777235.db2.gz KWEXHJVHWIAQQI-IBGZPJMESA-N 1 0 422.595 0.855 20 0 HCADRO O=S1(=O)CCC(O)(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000535281286 1074777362 /nfs/dbraw/zinc/77/73/62/1074777362.db2.gz KWEXHJVHWIAQQI-LJQANCHMSA-N 1 0 422.595 0.855 20 0 HCADRO CC[NH+](CC)CCN(C(=O)c1cnc2cc(C)ccn2c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000535281550 1074777316 /nfs/dbraw/zinc/77/73/16/1074777316.db2.gz ROXOQCCNFCFFNT-INIZCTEOSA-N 1 0 420.535 0.974 20 0 HCADRO CC[NH+](CC)CCN(C(=O)c1cnc2cc(C)ccn2c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000535281557 1074777296 /nfs/dbraw/zinc/77/72/96/1074777296.db2.gz ROXOQCCNFCFFNT-MRXNPFEDSA-N 1 0 420.535 0.974 20 0 HCADRO COc1cc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)ccc1S(=O)(=O)N(C)C ZINC000535282842 1074777588 /nfs/dbraw/zinc/77/75/88/1074777588.db2.gz CZKLWJQMZRMACU-UHFFFAOYSA-N 1 0 412.512 0.342 20 0 HCADRO COc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)ccc1S(=O)(=O)N(C)C ZINC000535283149 1074777630 /nfs/dbraw/zinc/77/76/30/1074777630.db2.gz GWGSLQAEMIEPGE-CYBMUJFWSA-N 1 0 412.512 0.342 20 0 HCADRO COc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1S(=O)(=O)N(C)C ZINC000535283153 1074777706 /nfs/dbraw/zinc/77/77/06/1074777706.db2.gz GWGSLQAEMIEPGE-ZDUSSCGKSA-N 1 0 412.512 0.342 20 0 HCADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000535286063 1074778251 /nfs/dbraw/zinc/77/82/51/1074778251.db2.gz UKZJUSIMBNWSIO-UHFFFAOYSA-N 1 0 414.528 0.732 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1S(=O)(=O)N(C)C ZINC000535286239 1074778209 /nfs/dbraw/zinc/77/82/09/1074778209.db2.gz FYVRIYOKCXIVGD-CABCVRRESA-N 1 0 424.523 0.579 20 0 HCADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1)C(C)C ZINC000535288285 1074779350 /nfs/dbraw/zinc/77/93/50/1074779350.db2.gz MBTRPKHKGVKJGH-UHFFFAOYSA-N 1 0 414.528 0.731 20 0 HCADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000535288759 1074779125 /nfs/dbraw/zinc/77/91/25/1074779125.db2.gz RYCZEGNYBRTYEO-CYBMUJFWSA-N 1 0 414.528 0.731 20 0 HCADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000535288760 1074779215 /nfs/dbraw/zinc/77/92/15/1074779215.db2.gz RYCZEGNYBRTYEO-ZDUSSCGKSA-N 1 0 414.528 0.731 20 0 HCADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1)C1CC1 ZINC000535289794 1074779279 /nfs/dbraw/zinc/77/92/79/1074779279.db2.gz RXYGRNMEGBFQHI-UHFFFAOYSA-N 1 0 412.512 0.485 20 0 HCADRO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C2=O ZINC000535294501 1074782200 /nfs/dbraw/zinc/78/22/00/1074782200.db2.gz UJSQWAAVTFOODX-IGMJJTELSA-N 1 0 407.515 0.189 20 0 HCADRO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C2=O ZINC000535294505 1074782295 /nfs/dbraw/zinc/78/22/95/1074782295.db2.gz UJSQWAAVTFOODX-KFWWJZLASA-N 1 0 407.515 0.189 20 0 HCADRO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C2=O ZINC000535294506 1074782247 /nfs/dbraw/zinc/78/22/47/1074782247.db2.gz UJSQWAAVTFOODX-RBSFLKMASA-N 1 0 407.515 0.189 20 0 HCADRO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C2=O ZINC000535294508 1074782267 /nfs/dbraw/zinc/78/22/67/1074782267.db2.gz UJSQWAAVTFOODX-YYQBIWNASA-N 1 0 407.515 0.189 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cncc(I)c1 ZINC000535294693 1074778559 /nfs/dbraw/zinc/77/85/59/1074778559.db2.gz WWHKBQVYSFJDID-GFCCVEGCSA-N 1 0 402.236 0.756 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cncc(I)c1 ZINC000535294697 1074778812 /nfs/dbraw/zinc/77/88/12/1074778812.db2.gz WWHKBQVYSFJDID-LBPRGKRZSA-N 1 0 402.236 0.756 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3C(=O)NC4(C[C@H](C)C[C@@H](C)C4)C3=O)C2)CC1 ZINC000535298348 1074782941 /nfs/dbraw/zinc/78/29/41/1074782941.db2.gz KFNZHBMAJOJTLJ-KZNAEPCWSA-N 1 0 419.570 0.972 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3C(=O)NC4(C[C@@H](C)C[C@H](C)C4)C3=O)C2)CC1 ZINC000535298358 1074782973 /nfs/dbraw/zinc/78/29/73/1074782973.db2.gz KFNZHBMAJOJTLJ-OKZBNKHCSA-N 1 0 419.570 0.972 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CN3C(=O)N[C@@]4(C[C@H](C)C[C@H](C)C4)C3=O)C2)CC1 ZINC000535298363 1074782893 /nfs/dbraw/zinc/78/28/93/1074782893.db2.gz KFNZHBMAJOJTLJ-SUWCGCSTSA-N 1 0 419.570 0.972 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3C(=O)N[C@@]4(C[C@H](C)C[C@H](C)C4)C3=O)C2)CC1 ZINC000535298367 1074783027 /nfs/dbraw/zinc/78/30/27/1074783027.db2.gz KFNZHBMAJOJTLJ-WYADAEROSA-N 1 0 419.570 0.972 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC(OCCO)CC1 ZINC000535306815 1074783498 /nfs/dbraw/zinc/78/34/98/1074783498.db2.gz FVEQFBDZKGNQOC-UHFFFAOYSA-N 1 0 406.531 0.562 20 0 HCADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535313351 1074781581 /nfs/dbraw/zinc/78/15/81/1074781581.db2.gz MONWGJPLIBZCSJ-GDBMZVCRSA-N 1 0 405.524 0.604 20 0 HCADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535313373 1074781913 /nfs/dbraw/zinc/78/19/13/1074781913.db2.gz MONWGJPLIBZCSJ-GOEBONIOSA-N 1 0 405.524 0.604 20 0 HCADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000535313374 1074781824 /nfs/dbraw/zinc/78/18/24/1074781824.db2.gz MONWGJPLIBZCSJ-HOCLYGCPSA-N 1 0 405.524 0.604 20 0 HCADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000535313376 1074782042 /nfs/dbraw/zinc/78/20/42/1074782042.db2.gz MONWGJPLIBZCSJ-ZBFHGGJFSA-N 1 0 405.524 0.604 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)CC1 ZINC000535314031 1074781691 /nfs/dbraw/zinc/78/16/91/1074781691.db2.gz LGGDYVMXOQGDTJ-BRWVUGGUSA-N 1 0 408.543 0.942 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)CC1 ZINC000535314043 1074781523 /nfs/dbraw/zinc/78/15/23/1074781523.db2.gz LGGDYVMXOQGDTJ-DLRJPAPCSA-N 1 0 408.543 0.942 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)CC1 ZINC000535314046 1074781702 /nfs/dbraw/zinc/78/17/02/1074781702.db2.gz LGGDYVMXOQGDTJ-KYFSNAEOSA-N 1 0 408.543 0.942 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)CC1 ZINC000535314048 1074781569 /nfs/dbraw/zinc/78/15/69/1074781569.db2.gz LGGDYVMXOQGDTJ-YESZJQIVSA-N 1 0 408.543 0.942 20 0 HCADRO O[C@@H](COc1ccccc1)CN1CC[N@H+](C[C@H](O)COc2ccccc2)C[C@H](O)C1 ZINC000535315351 1074786667 /nfs/dbraw/zinc/78/66/67/1074786667.db2.gz VELVTFPWVMEGJP-MZADTFQBSA-N 1 0 416.518 0.845 20 0 HCADRO O[C@@H](COc1ccccc1)CN1CC[N@H+](C[C@@H](O)COc2ccccc2)CC(O)C1 ZINC000535315362 1074787203 /nfs/dbraw/zinc/78/72/03/1074787203.db2.gz VELVTFPWVMEGJP-NHCUHLMSSA-N 1 0 416.518 0.845 20 0 HCADRO O[C@H](COc1ccccc1)CN1CC[N@H+](C[C@H](O)COc2ccccc2)CC(O)C1 ZINC000535315363 1074787104 /nfs/dbraw/zinc/78/71/04/1074787104.db2.gz VELVTFPWVMEGJP-SFTDATJTSA-N 1 0 416.518 0.845 20 0 HCADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@H]1CCSC1 ZINC000535317109 1074787061 /nfs/dbraw/zinc/78/70/61/1074787061.db2.gz CEBPFLOLACHSPB-AWEZNQCLSA-N 1 0 423.564 0.833 20 0 HCADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@@H]1CCSC1 ZINC000535317138 1074787140 /nfs/dbraw/zinc/78/71/40/1074787140.db2.gz CEBPFLOLACHSPB-CQSZACIVSA-N 1 0 423.564 0.833 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3coc(S(N)(=O)=O)c3)cc2)CC1 ZINC000535317294 1074787695 /nfs/dbraw/zinc/78/76/95/1074787695.db2.gz DUGLFOXKUOETGU-UHFFFAOYSA-N 1 0 406.508 0.995 20 0 HCADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1coc(S(N)(=O)=O)c1 ZINC000535317350 1074787631 /nfs/dbraw/zinc/78/76/31/1074787631.db2.gz DARPOEPKIROMQE-AWEZNQCLSA-N 1 0 401.485 0.807 20 0 HCADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1coc(S(N)(=O)=O)c1 ZINC000535317358 1074787638 /nfs/dbraw/zinc/78/76/38/1074787638.db2.gz DARPOEPKIROMQE-CQSZACIVSA-N 1 0 401.485 0.807 20 0 HCADRO NC(=O)c1cnn2c1nccc2C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000535317569 1074787616 /nfs/dbraw/zinc/78/76/16/1074787616.db2.gz GQFGANPPCQPOST-AWEZNQCLSA-N 1 0 421.461 0.778 20 0 HCADRO NC(=O)c1cnn2c1nccc2C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000535317581 1074787655 /nfs/dbraw/zinc/78/76/55/1074787655.db2.gz GQFGANPPCQPOST-CQSZACIVSA-N 1 0 421.461 0.778 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)c3ccnc4c(C(N)=O)cnn43)ccc2oc1=O ZINC000535317793 1074788124 /nfs/dbraw/zinc/78/81/24/1074788124.db2.gz KWEYDTPKSSQGJN-UHFFFAOYSA-N 1 0 409.406 0.550 20 0 HCADRO NC(=O)c1cnn2c1nccc2C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000535318102 1074787676 /nfs/dbraw/zinc/78/76/76/1074787676.db2.gz OHLWUHUYVOUQSV-UHFFFAOYSA-N 1 0 407.478 0.376 20 0 HCADRO CCOC(=O)c1cnn2c1nccc2C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000535319359 1074784163 /nfs/dbraw/zinc/78/41/63/1074784163.db2.gz DKEYUTNXNSMAGU-HNNXBMFYSA-N 1 0 402.499 0.909 20 0 HCADRO CCOC(=O)c1cnn2c1nccc2C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000535319360 1074784353 /nfs/dbraw/zinc/78/43/53/1074784353.db2.gz DKEYUTNXNSMAGU-OAHLLOKOSA-N 1 0 402.499 0.909 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccnc4c(C(N)=O)cnn43)cc2)CC1 ZINC000535319596 1074784304 /nfs/dbraw/zinc/78/43/04/1074784304.db2.gz VWYUBUNDHGPAQE-UHFFFAOYSA-N 1 0 423.477 0.707 20 0 HCADRO COc1cc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccc1S(=O)(=O)N(C)C ZINC000535324963 1074785100 /nfs/dbraw/zinc/78/51/00/1074785100.db2.gz DUTSQKHHQURQTQ-AWEZNQCLSA-N 1 0 413.544 0.703 20 0 HCADRO COc1cc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1S(=O)(=O)N(C)C ZINC000535324984 1074785137 /nfs/dbraw/zinc/78/51/37/1074785137.db2.gz DUTSQKHHQURQTQ-CQSZACIVSA-N 1 0 413.544 0.703 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)C1 ZINC000535328137 1074785450 /nfs/dbraw/zinc/78/54/50/1074785450.db2.gz SLRGQXSCDRDONB-AWEZNQCLSA-N 1 0 400.501 0.788 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)C1 ZINC000535328138 1074785586 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C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC=C(C(C)(C)C)CC2)cn1 ZINC000535343047 1074789559 /nfs/dbraw/zinc/78/95/59/1074789559.db2.gz BYFPUYRQHNPMOO-UHFFFAOYSA-N 1 0 404.515 0.704 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)C1 ZINC000535343318 1074789572 /nfs/dbraw/zinc/78/95/72/1074789572.db2.gz CQTLZSOSXXTSGF-AWEZNQCLSA-N 1 0 409.450 0.591 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)C1 ZINC000535343348 1074789692 /nfs/dbraw/zinc/78/96/92/1074789692.db2.gz CQTLZSOSXXTSGF-CQSZACIVSA-N 1 0 409.450 0.591 20 0 HCADRO C[C@H](CO)CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000535345447 1074790265 /nfs/dbraw/zinc/79/02/65/1074790265.db2.gz ORZKOAXGMLVOPG-INIZCTEOSA-N 1 0 404.511 0.928 20 0 HCADRO C[C@@H](CO)CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000535345453 1074790325 /nfs/dbraw/zinc/79/03/25/1074790325.db2.gz ORZKOAXGMLVOPG-MRXNPFEDSA-N 1 0 404.511 0.928 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000535345761 1074790455 /nfs/dbraw/zinc/79/04/55/1074790455.db2.gz PFTNUGAKPFMXDA-MSOLQXFVSA-N 1 0 401.511 0.674 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000535345765 1074790293 /nfs/dbraw/zinc/79/02/93/1074790293.db2.gz PFTNUGAKPFMXDA-QZTJIDSGSA-N 1 0 401.511 0.674 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000535345766 1074790416 /nfs/dbraw/zinc/79/04/16/1074790416.db2.gz PFTNUGAKPFMXDA-ROUUACIJSA-N 1 0 401.511 0.674 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000535345767 1074790553 /nfs/dbraw/zinc/79/05/53/1074790553.db2.gz PFTNUGAKPFMXDA-ZWKOTPCHSA-N 1 0 401.511 0.674 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)cc1S(C)(=O)=O ZINC000535350375 1074791143 /nfs/dbraw/zinc/79/11/43/1074791143.db2.gz LWONOTYHTSZSQR-UHFFFAOYSA-N 1 0 410.540 0.479 20 0 HCADRO CCc1onc(C)c1NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000535351394 1074791656 /nfs/dbraw/zinc/79/16/56/1074791656.db2.gz VOLHBSLGILPOHQ-UHFFFAOYSA-N 1 0 415.498 0.993 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000535352409 1074791786 /nfs/dbraw/zinc/79/17/86/1074791786.db2.gz YBCGRINMFNRDGX-UHFFFAOYSA-N 1 0 402.418 0.799 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000535353390 1074795116 /nfs/dbraw/zinc/79/51/16/1074795116.db2.gz FZTFTHATVHKWMT-UHFFFAOYSA-N 1 0 422.869 0.774 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc3c2OCCO3)CC1 ZINC000535356292 1074795520 /nfs/dbraw/zinc/79/55/20/1074795520.db2.gz SAGFOOQASIBMNN-UHFFFAOYSA-N 1 0 402.451 0.163 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000535356447 1074792491 /nfs/dbraw/zinc/79/24/91/1074792491.db2.gz SZFAURMXIKDLOF-HNNXBMFYSA-N 1 0 404.467 0.455 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000535356454 1074792470 /nfs/dbraw/zinc/79/24/70/1074792470.db2.gz SZFAURMXIKDLOF-OAHLLOKOSA-N 1 0 404.467 0.455 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)NCC[NH+](C)C ZINC000535359801 1074793102 /nfs/dbraw/zinc/79/31/02/1074793102.db2.gz XNMMWWQHWBFZTR-INIZCTEOSA-N 1 0 409.516 0.033 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)oc1C ZINC000535360293 1074792841 /nfs/dbraw/zinc/79/28/41/1074792841.db2.gz CDPVNVBEHODUMF-AWEZNQCLSA-N 1 0 403.501 0.745 20 0 HCADRO COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000535372394 1074795150 /nfs/dbraw/zinc/79/51/50/1074795150.db2.gz PQHVYUIOEBYPMI-HNNXBMFYSA-N 1 0 417.503 0.983 20 0 HCADRO CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000535372404 1074795136 /nfs/dbraw/zinc/79/51/36/1074795136.db2.gz PWPCWVNSABGZJA-HNNXBMFYSA-N 1 0 418.585 0.755 20 0 HCADRO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc12 ZINC000535372579 1074795108 /nfs/dbraw/zinc/79/51/08/1074795108.db2.gz AEPRFYAEAPDYCQ-INIZCTEOSA-N 1 0 410.544 0.648 20 0 HCADRO COC(=O)c1c(F)cccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000535372951 1074794727 /nfs/dbraw/zinc/79/47/27/1074794727.db2.gz XNQOZYQZLHGVGO-AWEZNQCLSA-N 1 0 417.503 0.983 20 0 HCADRO CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000535372972 1074794825 /nfs/dbraw/zinc/79/48/25/1074794825.db2.gz YJHQKJGSQAKNJE-INIZCTEOSA-N 1 0 420.576 0.188 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)c1cnn(C2CCOCC2)c1)C(=O)NCC[NH+](C)C ZINC000535373134 1074794832 /nfs/dbraw/zinc/79/48/32/1074794832.db2.gz IYNWRPBRFBOAEO-KRWDZBQOSA-N 1 0 415.560 0.605 20 0 HCADRO COC(=O)c1csc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000535373192 1074794797 /nfs/dbraw/zinc/79/47/97/1074794797.db2.gz MEVHHGSJDKTHDG-ZDUSSCGKSA-N 1 0 405.542 0.906 20 0 HCADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000535373314 1074794713 /nfs/dbraw/zinc/79/47/13/1074794713.db2.gz UMMBTCLCKNSOAG-LBPRGKRZSA-N 1 0 405.542 0.906 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)C)c1)C(=O)NCC[NH+](C)C ZINC000535373361 1074795887 /nfs/dbraw/zinc/79/58/87/1074795887.db2.gz XRIVMCGRMJJRGX-KRWDZBQOSA-N 1 0 412.556 0.759 20 0 HCADRO CC(C)C[C@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)C(=O)NCC[NH+](C)C ZINC000535378428 1074796126 /nfs/dbraw/zinc/79/61/26/1074796126.db2.gz JGRHENGVFWDBMU-IRXDYDNUSA-N 1 0 405.547 0.837 20 0 HCADRO CC(C)C[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)C(=O)NCC[NH+](C)C ZINC000535378429 1074796239 /nfs/dbraw/zinc/79/62/39/1074796239.db2.gz JGRHENGVFWDBMU-SJORKVTESA-N 1 0 405.547 0.837 20 0 HCADRO CCS(=O)(=O)NCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000535378738 1074796093 /nfs/dbraw/zinc/79/60/93/1074796093.db2.gz XJEAFYWUVHGLHF-UHFFFAOYSA-N 1 0 402.561 0.157 20 0 HCADRO CC(C)C[C@H](NC(=O)NCc1cccc(S(N)(=O)=O)c1)C(=O)NCC[NH+](C)C ZINC000535378766 1074796294 /nfs/dbraw/zinc/79/62/94/1074796294.db2.gz YVPCCFBYVWPWAY-INIZCTEOSA-N 1 0 413.544 0.226 20 0 HCADRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000535378880 1074796347 /nfs/dbraw/zinc/79/63/47/1074796347.db2.gz FTSZEVCJSNBYDQ-UHFFFAOYSA-N 1 0 418.542 0.340 20 0 HCADRO CCc1ccc(S(C)(=O)=O)cc1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000535379128 1074796313 /nfs/dbraw/zinc/79/63/13/1074796313.db2.gz QYBIYFBZWIDJNJ-UHFFFAOYSA-N 1 0 411.568 0.772 20 0 HCADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000535379475 1074796677 /nfs/dbraw/zinc/79/66/77/1074796677.db2.gz LEJQOVRGWSYXJD-GOSISDBHSA-N 1 0 418.604 0.087 20 0 HCADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000535379476 1074796594 /nfs/dbraw/zinc/79/65/94/1074796594.db2.gz LEJQOVRGWSYXJD-SFHVURJKSA-N 1 0 418.604 0.087 20 0 HCADRO Cc1ccc2c(c1)C(=O)N(CC(=O)NCCCC[NH+]1CCN(CCO)CC1)C2=O ZINC000535380394 1074797160 /nfs/dbraw/zinc/79/71/60/1074797160.db2.gz LQIVJFSBJGIGGV-UHFFFAOYSA-N 1 0 402.495 0.097 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H](c1ccccc1F)N1CCOCC1 ZINC000535380789 1074797005 /nfs/dbraw/zinc/79/70/05/1074797005.db2.gz GESQFLBRWRIJJJ-NRFANRHFSA-N 1 0 422.545 0.705 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000535380790 1074797030 /nfs/dbraw/zinc/79/70/30/1074797030.db2.gz GESQFLBRWRIJJJ-OAQYLSRUSA-N 1 0 422.545 0.705 20 0 HCADRO NC(=O)c1cn(CC(=O)NCCCC[NH+]2CCN(CCO)CC2)c2ccccc12 ZINC000535380848 1074797136 /nfs/dbraw/zinc/79/71/36/1074797136.db2.gz IULRPLQTJJAANV-UHFFFAOYSA-N 1 0 401.511 0.247 20 0 HCADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000535380891 1074797080 /nfs/dbraw/zinc/79/70/80/1074797080.db2.gz KSVKOBKATWUEGL-INIZCTEOSA-N 1 0 410.946 0.965 20 0 HCADRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000535380892 1074796965 /nfs/dbraw/zinc/79/69/65/1074796965.db2.gz KSVKOBKATWUEGL-MRXNPFEDSA-N 1 0 410.946 0.965 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000535381069 1074797282 /nfs/dbraw/zinc/79/72/82/1074797282.db2.gz SWRVFSDSVUEQOO-KRWDZBQOSA-N 1 0 424.492 0.824 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000535381070 1074797252 /nfs/dbraw/zinc/79/72/52/1074797252.db2.gz SWRVFSDSVUEQOO-QGZVFWFLSA-N 1 0 424.492 0.824 20 0 HCADRO O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000535381234 1074796981 /nfs/dbraw/zinc/79/69/81/1074796981.db2.gz AVKPGZUYYGMSPR-IBGZPJMESA-N 1 0 422.595 0.788 20 0 HCADRO O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000535381235 1074797116 /nfs/dbraw/zinc/79/71/16/1074797116.db2.gz AVKPGZUYYGMSPR-LJQANCHMSA-N 1 0 422.595 0.788 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1 ZINC000535381459 1074797299 /nfs/dbraw/zinc/79/72/99/1074797299.db2.gz KVQPDWZRAVSWQX-UHFFFAOYSA-N 1 0 412.556 0.057 20 0 HCADRO COCC1(O)CC[NH+]([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000535381829 1074797588 /nfs/dbraw/zinc/79/75/88/1074797588.db2.gz ANTDXSQYVKZIPM-GOSISDBHSA-N 1 0 405.539 0.997 20 0 HCADRO COCC1(O)CC[NH+]([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000535381830 1074797614 /nfs/dbraw/zinc/79/76/14/1074797614.db2.gz ANTDXSQYVKZIPM-SFHVURJKSA-N 1 0 405.539 0.997 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1cc(Cl)ccc1-n1cnnn1 ZINC000535381915 1074797488 /nfs/dbraw/zinc/79/74/88/1074797488.db2.gz GFWUZABPHOBEGE-UHFFFAOYSA-N 1 0 407.906 0.436 20 0 HCADRO Cc1nn(C)c(C)c1-c1cc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)[nH]n1 ZINC000535382100 1074797710 /nfs/dbraw/zinc/79/77/10/1074797710.db2.gz OXCUZBHORRXTQE-UHFFFAOYSA-N 1 0 403.531 0.547 20 0 HCADRO O=C(COc1ccc2c(c1)CCC(=O)N2)NCCCC[NH+]1CCN(CCO)CC1 ZINC000535382325 1074797687 /nfs/dbraw/zinc/79/76/87/1074797687.db2.gz YUTGRLUNPXFEPM-UHFFFAOYSA-N 1 0 404.511 0.456 20 0 HCADRO COCC(=O)N(C)CC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000535382639 1074797735 /nfs/dbraw/zinc/79/77/35/1074797735.db2.gz NWJCZHHONHUQRP-UHFFFAOYSA-N 1 0 418.538 0.578 20 0 HCADRO C[N@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)CC(C)(CO)CO ZINC000535385224 1074797979 /nfs/dbraw/zinc/79/79/79/1074797979.db2.gz WZQUDYQRTWUIEE-UHFFFAOYSA-N 1 0 413.540 0.722 20 0 HCADRO C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(C)(CO)CO ZINC000535387081 1074798038 /nfs/dbraw/zinc/79/80/38/1074798038.db2.gz YTKQJACIWGFBBX-UHFFFAOYSA-N 1 0 402.513 0.009 20 0 HCADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@H]1c1ccccc1 ZINC000535389596 1074798910 /nfs/dbraw/zinc/79/89/10/1074798910.db2.gz JBUCHICQBDYTJS-DOTOQJQBSA-N 1 0 402.476 0.985 20 0 HCADRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@H]1c1ccccc1 ZINC000535389597 1074798771 /nfs/dbraw/zinc/79/87/71/1074798771.db2.gz JBUCHICQBDYTJS-NVXWUHKLSA-N 1 0 402.476 0.985 20 0 HCADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@@H]1c1ccccc1 ZINC000535389598 1074798974 /nfs/dbraw/zinc/79/89/74/1074798974.db2.gz JBUCHICQBDYTJS-RDJZCZTQSA-N 1 0 402.476 0.985 20 0 HCADRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@@H]1c1ccccc1 ZINC000535389599 1074798851 /nfs/dbraw/zinc/79/88/51/1074798851.db2.gz JBUCHICQBDYTJS-WBVHZDCISA-N 1 0 402.476 0.985 20 0 HCADRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cnn1CCO[C@H]1CCCCO1 ZINC000535389825 1074798421 /nfs/dbraw/zinc/79/84/21/1074798421.db2.gz WBUUDDXLKCJKRL-MSOLQXFVSA-N 1 0 407.515 0.804 20 0 HCADRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cnn1CCO[C@@H]1CCCCO1 ZINC000535389826 1074798325 /nfs/dbraw/zinc/79/83/25/1074798325.db2.gz WBUUDDXLKCJKRL-QZTJIDSGSA-N 1 0 407.515 0.804 20 0 HCADRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cnn1CCO[C@H]1CCCCO1 ZINC000535389827 1074798565 /nfs/dbraw/zinc/79/85/65/1074798565.db2.gz WBUUDDXLKCJKRL-ROUUACIJSA-N 1 0 407.515 0.804 20 0 HCADRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cnn1CCO[C@@H]1CCCCO1 ZINC000535389828 1074798512 /nfs/dbraw/zinc/79/85/12/1074798512.db2.gz WBUUDDXLKCJKRL-ZWKOTPCHSA-N 1 0 407.515 0.804 20 0 HCADRO CCS(=O)(=O)NCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000535390171 1074798463 /nfs/dbraw/zinc/79/84/63/1074798463.db2.gz QJQNSLUBJBDBSX-UHFFFAOYSA-N 1 0 402.948 0.908 20 0 HCADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000535392253 1074795859 /nfs/dbraw/zinc/79/58/59/1074795859.db2.gz XWEANLQSMRAPBP-HNNXBMFYSA-N 1 0 422.493 0.506 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000535392254 1074795869 /nfs/dbraw/zinc/79/58/69/1074795869.db2.gz XWEANLQSMRAPBP-OAHLLOKOSA-N 1 0 422.493 0.506 20 0 HCADRO C[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000535394855 1074801212 /nfs/dbraw/zinc/80/12/12/1074801212.db2.gz SLNUKPMYSLHMLV-MOPGFXCFSA-N 1 0 413.522 0.908 20 0 HCADRO C[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000535394856 1074801104 /nfs/dbraw/zinc/80/11/04/1074801104.db2.gz SLNUKPMYSLHMLV-OALUTQOASA-N 1 0 413.522 0.908 20 0 HCADRO C[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000535394857 1074801283 /nfs/dbraw/zinc/80/12/83/1074801283.db2.gz SLNUKPMYSLHMLV-RBUKOAKNSA-N 1 0 413.522 0.908 20 0 HCADRO C[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000535394858 1074801242 /nfs/dbraw/zinc/80/12/42/1074801242.db2.gz SLNUKPMYSLHMLV-RTBURBONSA-N 1 0 413.522 0.908 20 0 HCADRO CC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1C ZINC000535401405 1074799797 /nfs/dbraw/zinc/79/97/97/1074799797.db2.gz DEEYRLCVWJVASE-GOSISDBHSA-N 1 0 400.479 0.901 20 0 HCADRO CC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1C ZINC000535401406 1074799733 /nfs/dbraw/zinc/79/97/33/1074799733.db2.gz DEEYRLCVWJVASE-SFHVURJKSA-N 1 0 400.479 0.901 20 0 HCADRO CC(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1C ZINC000535402278 1074799697 /nfs/dbraw/zinc/79/96/97/1074799697.db2.gz WDPUPBRIDGAIOT-UHFFFAOYSA-N 1 0 414.466 0.649 20 0 HCADRO CC(C)C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)NCC[NH+](C)C ZINC000535403941 1074800108 /nfs/dbraw/zinc/80/01/08/1074800108.db2.gz MWBQOXSQSILXAF-INIZCTEOSA-N 1 0 413.544 0.226 20 0 HCADRO CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000535405773 1074799990 /nfs/dbraw/zinc/79/99/90/1074799990.db2.gz JIRYZNLALQGDJH-GOSISDBHSA-N 1 0 406.527 0.968 20 0 HCADRO CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000535405774 1074800012 /nfs/dbraw/zinc/80/00/12/1074800012.db2.gz JIRYZNLALQGDJH-SFHVURJKSA-N 1 0 406.527 0.968 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 ZINC000535410385 1074802715 /nfs/dbraw/zinc/80/27/15/1074802715.db2.gz WMVUDLZMCOANDU-UHFFFAOYSA-N 1 0 422.493 0.508 20 0 HCADRO Cc1cnc(CCNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)nc1 ZINC000535410871 1074802781 /nfs/dbraw/zinc/80/27/81/1074802781.db2.gz YBZLSLBDIGQSIQ-UHFFFAOYSA-N 1 0 412.450 0.552 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1S(C)(=O)=O ZINC000535412279 1074803135 /nfs/dbraw/zinc/80/31/35/1074803135.db2.gz XPVIZEXJLAXGOB-UHFFFAOYSA-N 1 0 423.535 0.908 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000535413044 1074803069 /nfs/dbraw/zinc/80/30/69/1074803069.db2.gz PCBFHAWCAUMVPM-MSOLQXFVSA-N 1 0 401.511 0.810 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000535413045 1074803177 /nfs/dbraw/zinc/80/31/77/1074803177.db2.gz PCBFHAWCAUMVPM-QZTJIDSGSA-N 1 0 401.511 0.810 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000535413046 1074803550 /nfs/dbraw/zinc/80/35/50/1074803550.db2.gz PCBFHAWCAUMVPM-ROUUACIJSA-N 1 0 401.511 0.810 20 0 HCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000535413047 1074803448 /nfs/dbraw/zinc/80/34/48/1074803448.db2.gz PCBFHAWCAUMVPM-ZWKOTPCHSA-N 1 0 401.511 0.810 20 0 HCADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000535413754 1074803541 /nfs/dbraw/zinc/80/35/41/1074803541.db2.gz QJNRRJHYLGRXQB-AWEZNQCLSA-N 1 0 415.560 0.009 20 0 HCADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000535413755 1074803467 /nfs/dbraw/zinc/80/34/67/1074803467.db2.gz QJNRRJHYLGRXQB-CQSZACIVSA-N 1 0 415.560 0.009 20 0 HCADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000535423248 1074801504 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403.531 0.038 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000535429802 1074804613 /nfs/dbraw/zinc/80/46/13/1074804613.db2.gz WAUNNJBEFXORMB-UHFFFAOYSA-N 1 0 411.572 0.599 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000535429840 1074804590 /nfs/dbraw/zinc/80/45/90/1074804590.db2.gz YFCJLFNQZAZODW-UHFFFAOYSA-N 1 0 416.570 0.660 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000535430176 1074804151 /nfs/dbraw/zinc/80/41/51/1074804151.db2.gz SHLWJMZGAOSSEA-UHFFFAOYSA-N 1 0 408.547 0.566 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000535430226 1074804247 /nfs/dbraw/zinc/80/42/47/1074804247.db2.gz WFEOWCSIECBHPP-KRWDZBQOSA-N 1 0 403.593 0.516 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000535430227 1074804178 /nfs/dbraw/zinc/80/41/78/1074804178.db2.gz WFEOWCSIECBHPP-QGZVFWFLSA-N 1 0 403.593 0.516 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 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CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000535498496 1074810905 /nfs/dbraw/zinc/81/09/05/1074810905.db2.gz DVDLUEDJPNAUKK-KRWDZBQOSA-N 1 0 412.556 0.807 20 0 HCADRO CNS(=O)(=O)c1csc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000535498640 1074810941 /nfs/dbraw/zinc/81/09/41/1074810941.db2.gz HFDQSLBALDTIII-ZDUSSCGKSA-N 1 0 404.558 0.479 20 0 HCADRO CC(C)C[C@H](NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)C(=O)NCC[NH+](C)C ZINC000535499096 1074810472 /nfs/dbraw/zinc/81/04/72/1074810472.db2.gz CNIBVSUPKQRWBB-KRWDZBQOSA-N 1 0 417.510 0.667 20 0 HCADRO CC(C)C[C@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)C(=O)NCC[NH+](C)C ZINC000535499429 1074810506 /nfs/dbraw/zinc/81/05/06/1074810506.db2.gz HBZXEHMONJCEKT-AWEZNQCLSA-N 1 0 423.539 0.560 20 0 HCADRO CC(C)C[C@H](NC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)NCC[NH+](C)C ZINC000535499464 1074810890 /nfs/dbraw/zinc/81/08/90/1074810890.db2.gz JBVGWSBKLXUWQD-INIZCTEOSA-N 1 0 403.527 0.939 20 0 HCADRO Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1C ZINC000535499799 1074813199 /nfs/dbraw/zinc/81/31/99/1074813199.db2.gz LCUBTMOGHUZHLJ-KRWDZBQOSA-N 1 0 412.556 0.773 20 0 HCADRO CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)NCC[NH+](C)C ZINC000535499975 1074810451 /nfs/dbraw/zinc/81/04/51/1074810451.db2.gz OIWNIHDGOHZNBR-SFHVURJKSA-N 1 0 424.567 0.950 20 0 HCADRO CCS(=O)(=O)N1CCC(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000535500211 1074811203 /nfs/dbraw/zinc/81/12/03/1074811203.db2.gz UWORKIMOFCPMKJ-INIZCTEOSA-N 1 0 404.577 0.257 20 0 HCADRO Cc1ccc(-c2nnn(CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)n2)cc1 ZINC000535500251 1074811856 /nfs/dbraw/zinc/81/18/56/1074811856.db2.gz WWNQDTYPTSSWBB-KRWDZBQOSA-N 1 0 401.515 0.857 20 0 HCADRO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000535500367 1074810870 /nfs/dbraw/zinc/81/08/70/1074810870.db2.gz YODBNNVEBJRUSA-HNNXBMFYSA-N 1 0 416.544 0.661 20 0 HCADRO CC(C)C[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)NCC[NH+](C)C ZINC000535500729 1074813259 /nfs/dbraw/zinc/81/32/59/1074813259.db2.gz KAKMIAIUMMAYEM-KRWDZBQOSA-N 1 0 402.499 0.390 20 0 HCADRO CC(C)C[C@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C(=O)NCC[NH+](C)C ZINC000535501551 1074813541 /nfs/dbraw/zinc/81/35/41/1074813541.db2.gz KWVQORRJJKAFSI-KRWDZBQOSA-N 1 0 417.510 0.701 20 0 HCADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000535501661 1074813588 /nfs/dbraw/zinc/81/35/88/1074813588.db2.gz QVELBROEXOTEOC-LBPRGKRZSA-N 1 0 404.558 0.526 20 0 HCADRO CC(C)C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C(=O)NCC[NH+](C)C ZINC000535501790 1074813550 /nfs/dbraw/zinc/81/35/50/1074813550.db2.gz ZMDZHCFLPHIRIY-KRWDZBQOSA-N 1 0 424.567 0.831 20 0 HCADRO CC(C)CN(CC[NH+](C)C)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000535512684 1074812555 /nfs/dbraw/zinc/81/25/55/1074812555.db2.gz ADMSGYHQSHNYIX-UHFFFAOYSA-N 1 0 412.556 0.713 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 ZINC000535516519 1074812892 /nfs/dbraw/zinc/81/28/92/1074812892.db2.gz SWBNEGUQKNSBTL-GOSISDBHSA-N 1 0 415.490 0.897 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000535516524 1074812760 /nfs/dbraw/zinc/81/27/60/1074812760.db2.gz SWBNEGUQKNSBTL-SFHVURJKSA-N 1 0 415.490 0.897 20 0 HCADRO COCCC(=O)N1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000535518312 1074813978 /nfs/dbraw/zinc/81/39/78/1074813978.db2.gz CNLAMMWNYRPZCW-PMACEKPBSA-N 1 0 418.538 0.949 20 0 HCADRO COCCC(=O)N1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000535518315 1074814000 /nfs/dbraw/zinc/81/40/00/1074814000.db2.gz CNLAMMWNYRPZCW-UXHICEINSA-N 1 0 418.538 0.949 20 0 HCADRO COCCC(=O)N1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000535518318 1074813988 /nfs/dbraw/zinc/81/39/88/1074813988.db2.gz CNLAMMWNYRPZCW-VQTJNVASSA-N 1 0 418.538 0.949 20 0 HCADRO COCCC(=O)N1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000535518319 1074813901 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C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1=O ZINC000535550586 1074820616 /nfs/dbraw/zinc/82/06/16/1074820616.db2.gz QHVQMOYLLWKURV-CBGDNZLLSA-N 1 0 400.479 0.459 20 0 HCADRO C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1=O ZINC000535550592 1074820586 /nfs/dbraw/zinc/82/05/86/1074820586.db2.gz QHVQMOYLLWKURV-CSODHUTKSA-N 1 0 400.479 0.459 20 0 HCADRO C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1=O ZINC000535550595 1074820604 /nfs/dbraw/zinc/82/06/04/1074820604.db2.gz QHVQMOYLLWKURV-LLGFUMIMSA-N 1 0 400.479 0.459 20 0 HCADRO C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1=O ZINC000535550596 1074820523 /nfs/dbraw/zinc/82/05/23/1074820523.db2.gz QHVQMOYLLWKURV-XGHQBKJUSA-N 1 0 400.479 0.459 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@](C)(O)C(F)(F)F)cc21 ZINC000535553736 1074822786 /nfs/dbraw/zinc/82/27/86/1074822786.db2.gz HIVUMKJDNNGMGO-INIZCTEOSA-N 1 0 418.372 0.524 20 0 HCADRO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000535553876 1074822795 /nfs/dbraw/zinc/82/27/95/1074822795.db2.gz JLLKIXPHNVWHAR-FHWLQOOXSA-N 1 0 409.552 0.800 20 0 HCADRO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000535553880 1074822834 /nfs/dbraw/zinc/82/28/34/1074822834.db2.gz JLLKIXPHNVWHAR-GBESFXJTSA-N 1 0 409.552 0.800 20 0 HCADRO CC(C)C[C@H](NC(=O)Cn1cc(Br)ccc1=O)C(=O)NCC[NH+](C)C ZINC000535554224 1074822777 /nfs/dbraw/zinc/82/27/77/1074822777.db2.gz SINUOHLHSMZKRU-AWEZNQCLSA-N 1 0 415.332 0.820 20 0 HCADRO CC(C)C[C@H](NC(=O)Cn1c2ccccc2c(=O)[nH]c1=O)C(=O)NCC[NH+](C)C ZINC000535554279 1074822595 /nfs/dbraw/zinc/82/25/95/1074822595.db2.gz VRJSSAMJTDZKQP-HNNXBMFYSA-N 1 0 403.483 0.311 20 0 HCADRO NS(=O)(=O)Cc1cccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000535554493 1074822756 /nfs/dbraw/zinc/82/27/56/1074822756.db2.gz LMRKQWGAJZNPQE-MOPGFXCFSA-N 1 0 403.504 0.840 20 0 HCADRO NS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000535554495 1074822805 /nfs/dbraw/zinc/82/28/05/1074822805.db2.gz LMRKQWGAJZNPQE-OALUTQOASA-N 1 0 403.504 0.840 20 0 HCADRO NS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000535554498 1074822824 /nfs/dbraw/zinc/82/28/24/1074822824.db2.gz LMRKQWGAJZNPQE-RBUKOAKNSA-N 1 0 403.504 0.840 20 0 HCADRO NS(=O)(=O)Cc1cccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000535554501 1074822812 /nfs/dbraw/zinc/82/28/12/1074822812.db2.gz LMRKQWGAJZNPQE-RTBURBONSA-N 1 0 403.504 0.840 20 0 HCADRO O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000535555453 1075091474 /nfs/dbraw/zinc/09/14/74/1075091474.db2.gz UPMWWOWAYARVQJ-MSOLQXFVSA-N 1 0 414.506 0.993 20 0 HCADRO O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000535555454 1075091513 /nfs/dbraw/zinc/09/15/13/1075091513.db2.gz UPMWWOWAYARVQJ-QZTJIDSGSA-N 1 0 414.506 0.993 20 0 HCADRO O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000535555457 1075091548 /nfs/dbraw/zinc/09/15/48/1075091548.db2.gz UPMWWOWAYARVQJ-ROUUACIJSA-N 1 0 414.506 0.993 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)C(F)(F)F)cc1 ZINC000535555552 1075091400 /nfs/dbraw/zinc/09/14/00/1075091400.db2.gz ZXZFQSMHQQAXOY-INIZCTEOSA-N 1 0 404.389 0.945 20 0 HCADRO O=C(CN1CCN(c2ccccn2)CC1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000535555595 1075091912 /nfs/dbraw/zinc/09/19/12/1075091912.db2.gz XCESGQLTYGSYGL-RTWAWAEBSA-N 1 0 409.534 0.955 20 0 HCADRO O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000535558991 1075092323 /nfs/dbraw/zinc/09/23/23/1075092323.db2.gz JWZZZRIIBRPHRX-MOPGFXCFSA-N 1 0 424.567 0.641 20 0 HCADRO O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000535559002 1075092472 /nfs/dbraw/zinc/09/24/72/1075092472.db2.gz JWZZZRIIBRPHRX-OALUTQOASA-N 1 0 424.567 0.641 20 0 HCADRO O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000535559003 1075092244 /nfs/dbraw/zinc/09/22/44/1075092244.db2.gz JWZZZRIIBRPHRX-RBUKOAKNSA-N 1 0 424.567 0.641 20 0 HCADRO O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000535559004 1075092272 /nfs/dbraw/zinc/09/22/72/1075092272.db2.gz JWZZZRIIBRPHRX-RTBURBONSA-N 1 0 424.567 0.641 20 0 HCADRO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000535559448 1075092412 /nfs/dbraw/zinc/09/24/12/1075092412.db2.gz LVWHGTBMEVWLGU-CVEARBPZSA-N 1 0 413.515 0.751 20 0 HCADRO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000535559451 1075092393 /nfs/dbraw/zinc/09/23/93/1075092393.db2.gz LVWHGTBMEVWLGU-HOTGVXAUSA-N 1 0 413.515 0.751 20 0 HCADRO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000535559460 1075092299 /nfs/dbraw/zinc/09/22/99/1075092299.db2.gz LVWHGTBMEVWLGU-HZPDHXFCSA-N 1 0 413.515 0.751 20 0 HCADRO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000535559461 1075092223 /nfs/dbraw/zinc/09/22/23/1075092223.db2.gz LVWHGTBMEVWLGU-JKSUJKDBSA-N 1 0 413.515 0.751 20 0 HCADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn1C ZINC000535559822 1074821670 /nfs/dbraw/zinc/82/16/70/1074821670.db2.gz RYHKJVVWIWROCC-APWZRJJASA-N 1 0 405.524 0.959 20 0 HCADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn1C ZINC000535559829 1074821803 /nfs/dbraw/zinc/82/18/03/1074821803.db2.gz RYHKJVVWIWROCC-LPHOPBHVSA-N 1 0 405.524 0.959 20 0 HCADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cn1C ZINC000535559838 1074821690 /nfs/dbraw/zinc/82/16/90/1074821690.db2.gz RYHKJVVWIWROCC-VQIMIIECSA-N 1 0 405.524 0.959 20 0 HCADRO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000535559990 1074821297 /nfs/dbraw/zinc/82/12/97/1074821297.db2.gz YTCZCWBJHOIJCD-CVEARBPZSA-N 1 0 413.515 0.751 20 0 HCADRO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000535559991 1074821784 /nfs/dbraw/zinc/82/17/84/1074821784.db2.gz YTCZCWBJHOIJCD-HOTGVXAUSA-N 1 0 413.515 0.751 20 0 HCADRO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000535559992 1074821897 /nfs/dbraw/zinc/82/18/97/1074821897.db2.gz YTCZCWBJHOIJCD-HZPDHXFCSA-N 1 0 413.515 0.751 20 0 HCADRO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000535559993 1074821761 /nfs/dbraw/zinc/82/17/61/1074821761.db2.gz YTCZCWBJHOIJCD-JKSUJKDBSA-N 1 0 413.515 0.751 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000535561288 1074821827 /nfs/dbraw/zinc/82/18/27/1074821827.db2.gz MDTCJBKJSGZWLV-MSOLQXFVSA-N 1 0 412.556 0.593 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000535561289 1074822143 /nfs/dbraw/zinc/82/21/43/1074822143.db2.gz MDTCJBKJSGZWLV-QZTJIDSGSA-N 1 0 412.556 0.593 20 0 HCADRO 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ZINC000539492586 1075348484 /nfs/dbraw/zinc/34/84/84/1075348484.db2.gz CQCIKJYIZYUPEL-HZPDHXFCSA-N 1 0 400.570 0.853 20 0 HCADRO CS[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1[NH+](C)C ZINC000539492587 1075348603 /nfs/dbraw/zinc/34/86/03/1075348603.db2.gz CQCIKJYIZYUPEL-JKSUJKDBSA-N 1 0 400.570 0.853 20 0 HCADRO C[N@H+](CCN1CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)CC1)Cc1ccccc1 ZINC000539497879 1075353575 /nfs/dbraw/zinc/35/35/75/1075353575.db2.gz HTXPQCSEGGQSHH-UHFFFAOYSA-N 1 0 417.535 0.619 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)c(C)c2)CC1 ZINC000539499123 1075353642 /nfs/dbraw/zinc/35/36/42/1075353642.db2.gz BTUIWEQVTZXFIZ-UHFFFAOYSA-N 1 0 406.512 0.620 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 ZINC000539500812 1075349442 /nfs/dbraw/zinc/34/94/42/1075349442.db2.gz LPMRRMAAVUMLJV-UHFFFAOYSA-N 1 0 422.511 0.241 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(S(N)(=O)=O)cn2)CC1 ZINC000539502149 1075350219 /nfs/dbraw/zinc/35/02/19/1075350219.db2.gz AHPSSXIINDMQLR-UHFFFAOYSA-N 1 0 417.535 0.797 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3ccc(S(N)(=O)=O)cn3)c2)CC1 ZINC000539502208 1075350277 /nfs/dbraw/zinc/35/02/77/1075350277.db2.gz CUWBJLLHHJJGQU-UHFFFAOYSA-N 1 0 417.491 0.679 20 0 HCADRO C[N@@H+]1CCN(CCCNC(=O)c2ccc(S(N)(=O)=O)cn2)[C@H](c2ccccc2)C1 ZINC000539502351 1075350489 /nfs/dbraw/zinc/35/04/89/1075350489.db2.gz JZHURZKDUUAYRI-IBGZPJMESA-N 1 0 417.535 0.838 20 0 HCADRO C[N@@H+]1CCN(CCCNC(=O)c2ccc(S(N)(=O)=O)cn2)[C@@H](c2ccccc2)C1 ZINC000539502352 1075350335 /nfs/dbraw/zinc/35/03/35/1075350335.db2.gz JZHURZKDUUAYRI-LJQANCHMSA-N 1 0 417.535 0.838 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(S(N)(=O)=O)oc3C)cn2)CC1 ZINC000539502705 1075351116 /nfs/dbraw/zinc/35/11/16/1075351116.db2.gz OTGNWRSLVJOEAQ-UHFFFAOYSA-N 1 0 407.496 0.702 20 0 HCADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000539507109 1075352793 /nfs/dbraw/zinc/35/27/93/1075352793.db2.gz DDORKOZNIQTFLQ-UHFFFAOYSA-N 1 0 410.544 0.208 20 0 HCADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000539507545 1075359725 /nfs/dbraw/zinc/35/97/25/1075359725.db2.gz VIZLSJBJJKVOHZ-UHFFFAOYSA-N 1 0 406.512 0.603 20 0 HCADRO Cc1nn2c(CN[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)c(C(C)C)nc2s1 ZINC000539509896 1075360612 /nfs/dbraw/zinc/36/06/12/1075360612.db2.gz UKATURHGQHOPFT-DZGCQCFKSA-N 1 0 413.569 0.810 20 0 HCADRO Cc1nn2c(CN[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)c(C(C)C)nc2s1 ZINC000539509897 1075360570 /nfs/dbraw/zinc/36/05/70/1075360570.db2.gz UKATURHGQHOPFT-HIFRSBDPSA-N 1 0 413.569 0.810 20 0 HCADRO Cc1nn2c(CN[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)c(C(C)C)nc2s1 ZINC000539509898 1075360603 /nfs/dbraw/zinc/36/06/03/1075360603.db2.gz UKATURHGQHOPFT-UKRRQHHQSA-N 1 0 413.569 0.810 20 0 HCADRO Cc1nn2c(CN[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)c(C(C)C)nc2s1 ZINC000539509899 1075360474 /nfs/dbraw/zinc/36/04/74/1075360474.db2.gz UKATURHGQHOPFT-ZFWWWQNUSA-N 1 0 413.569 0.810 20 0 HCADRO COc1ccccc1[C@H](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)[NH+]1CCCC1 ZINC000539511429 1075361030 /nfs/dbraw/zinc/36/10/30/1075361030.db2.gz WQPHDGMLDKRTAB-INIZCTEOSA-N 1 0 407.496 0.492 20 0 HCADRO COc1ccccc1[C@@H](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)[NH+]1CCCC1 ZINC000539511433 1075360985 /nfs/dbraw/zinc/36/09/85/1075360985.db2.gz WQPHDGMLDKRTAB-MRXNPFEDSA-N 1 0 407.496 0.492 20 0 HCADRO Cn1cc(C[NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)c(=O)n(C)c1=O ZINC000539511545 1075354961 /nfs/dbraw/zinc/35/49/61/1075354961.db2.gz ASZDKIFXORJGLK-CYBMUJFWSA-N 1 0 401.385 0.923 20 0 HCADRO Cn1cc(C[NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)c(=O)n(C)c1=O ZINC000539511546 1075354898 /nfs/dbraw/zinc/35/48/98/1075354898.db2.gz ASZDKIFXORJGLK-ZDUSSCGKSA-N 1 0 401.385 0.923 20 0 HCADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000539513944 1075355964 /nfs/dbraw/zinc/35/59/64/1075355964.db2.gz RRCKJUROHBEPDS-UHFFFAOYSA-N 1 0 405.524 0.901 20 0 HCADRO Cc1oc(S(N)(=O)=O)cc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000539514827 1075356871 /nfs/dbraw/zinc/35/68/71/1075356871.db2.gz HDKKMVSRQBESOW-UHFFFAOYSA-N 1 0 408.480 0.457 20 0 HCADRO COCC[N@@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000539515274 1075356368 /nfs/dbraw/zinc/35/63/68/1075356368.db2.gz OKDQEAKKLMDVKP-UHFFFAOYSA-N 1 0 420.329 0.891 20 0 HCADRO COc1ccc(C[NH+]2CCC(CNC(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)cc1 ZINC000539517471 1075357672 /nfs/dbraw/zinc/35/76/72/1075357672.db2.gz JPOJPYNGNFCUTF-UHFFFAOYSA-N 1 0 421.523 0.568 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000539520484 1075361330 /nfs/dbraw/zinc/36/13/30/1075361330.db2.gz GWPDVWIQWBATHK-UHFFFAOYSA-N 1 0 413.540 0.265 20 0 HCADRO Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000539520952 1075361778 /nfs/dbraw/zinc/36/17/78/1075361778.db2.gz RZOQQMOYBNBCFA-INIZCTEOSA-N 1 0 422.507 0.254 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000539521431 1075361304 /nfs/dbraw/zinc/36/13/04/1075361304.db2.gz LPHLTLVPSFJJDU-DLBZAZTESA-N 1 0 404.492 0.342 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000539521436 1075361343 /nfs/dbraw/zinc/36/13/43/1075361343.db2.gz LPHLTLVPSFJJDU-IAGOWNOFSA-N 1 0 404.492 0.342 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000539521438 1075361384 /nfs/dbraw/zinc/36/13/84/1075361384.db2.gz LPHLTLVPSFJJDU-IRXDYDNUSA-N 1 0 404.492 0.342 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000539521440 1075361784 /nfs/dbraw/zinc/36/17/84/1075361784.db2.gz LPHLTLVPSFJJDU-SJORKVTESA-N 1 0 404.492 0.342 20 0 HCADRO C[NH+]1CCC(CCO)(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000539522440 1075362244 /nfs/dbraw/zinc/36/22/44/1075362244.db2.gz IMRMCHJZCXOFKY-UHFFFAOYSA-N 1 0 401.504 0.847 20 0 HCADRO Cn1cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c(=O)n(C)c1=O ZINC000539522957 1075363090 /nfs/dbraw/zinc/36/30/90/1075363090.db2.gz GBDBGNVFEHSZEM-UHFFFAOYSA-N 1 0 423.311 0.973 20 0 HCADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 ZINC000539523407 1075362502 /nfs/dbraw/zinc/36/25/02/1075362502.db2.gz KUCCPDWAGNCQNF-KRWDZBQOSA-N 1 0 407.496 0.492 20 0 HCADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 ZINC000539523408 1075363042 /nfs/dbraw/zinc/36/30/42/1075363042.db2.gz KUCCPDWAGNCQNF-QGZVFWFLSA-N 1 0 407.496 0.492 20 0 HCADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000539523624 1075364287 /nfs/dbraw/zinc/36/42/87/1075364287.db2.gz RRYVPWOYQWJMJL-UHFFFAOYSA-N 1 0 406.512 0.691 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000539524007 1075363834 /nfs/dbraw/zinc/36/38/34/1075363834.db2.gz ONXFWDMZCHEDBT-DLBZAZTESA-N 1 0 404.492 0.342 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000539524008 1075363769 /nfs/dbraw/zinc/36/37/69/1075363769.db2.gz ONXFWDMZCHEDBT-IAGOWNOFSA-N 1 0 404.492 0.342 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000539524009 1075363926 /nfs/dbraw/zinc/36/39/26/1075363926.db2.gz ONXFWDMZCHEDBT-IRXDYDNUSA-N 1 0 404.492 0.342 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000539524010 1075363891 /nfs/dbraw/zinc/36/38/91/1075363891.db2.gz ONXFWDMZCHEDBT-SJORKVTESA-N 1 0 404.492 0.342 20 0 HCADRO CC[NH+](CC)CCN(C(=O)c1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000539524829 1075365019 /nfs/dbraw/zinc/36/50/19/1075365019.db2.gz FZHNSSGYBVKTHP-HNNXBMFYSA-N 1 0 417.553 0.305 20 0 HCADRO CC[NH+](CC)CCN(C(=O)c1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000539524830 1075364994 /nfs/dbraw/zinc/36/49/94/1075364994.db2.gz FZHNSSGYBVKTHP-OAHLLOKOSA-N 1 0 417.553 0.305 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)nc1 ZINC000539525227 1075364126 /nfs/dbraw/zinc/36/41/26/1075364126.db2.gz YWWLSHJCGSRMEF-DOTOQJQBSA-N 1 0 404.492 0.342 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)nc1 ZINC000539525228 1075364239 /nfs/dbraw/zinc/36/42/39/1075364239.db2.gz YWWLSHJCGSRMEF-NVXWUHKLSA-N 1 0 404.492 0.342 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)nc1 ZINC000539525230 1075364158 /nfs/dbraw/zinc/36/41/58/1075364158.db2.gz YWWLSHJCGSRMEF-RDJZCZTQSA-N 1 0 404.492 0.342 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)nc1 ZINC000539525232 1075364690 /nfs/dbraw/zinc/36/46/90/1075364690.db2.gz YWWLSHJCGSRMEF-WBVHZDCISA-N 1 0 404.492 0.342 20 0 HCADRO NS(=O)(=O)c1cnn(CC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000539525260 1075364579 /nfs/dbraw/zinc/36/45/79/1075364579.db2.gz ZJJCZRZKHANVPG-UHFFFAOYSA-N 1 0 421.523 0.364 20 0 HCADRO C[C@H]([NH2+]C1(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)CCOCC1)c1ccccc1 ZINC000539526223 1075365493 /nfs/dbraw/zinc/36/54/93/1075365493.db2.gz TYSMSDPCEAXRFO-HNNXBMFYSA-N 1 0 421.523 0.547 20 0 HCADRO C[C@@H]([NH2+]C1(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)CCOCC1)c1ccccc1 ZINC000539526227 1075365510 /nfs/dbraw/zinc/36/55/10/1075365510.db2.gz TYSMSDPCEAXRFO-OAHLLOKOSA-N 1 0 421.523 0.547 20 0 HCADRO 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ZINC000539528115 1075367364 /nfs/dbraw/zinc/36/73/64/1075367364.db2.gz BCJOAYCKRJUTIY-UHFFFAOYSA-N 1 0 411.524 0.236 20 0 HCADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000539528313 1075366692 /nfs/dbraw/zinc/36/66/92/1075366692.db2.gz JJPFYBGPRBBLDQ-UHFFFAOYSA-N 1 0 410.540 0.691 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000539528564 1075365593 /nfs/dbraw/zinc/36/55/93/1075365593.db2.gz DGSKFIUXWUYFCD-KRWDZBQOSA-N 1 0 401.554 0.467 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000539528570 1075365628 /nfs/dbraw/zinc/36/56/28/1075365628.db2.gz DGSKFIUXWUYFCD-QGZVFWFLSA-N 1 0 401.554 0.467 20 0 HCADRO COc1cc(C[NH2+]CC2(CO)CCOCC2)ccc1OCC(=O)N1CCOCC1 ZINC000539528653 1075371063 /nfs/dbraw/zinc/37/10/63/1075371063.db2.gz YZFMSFKGNCXUTO-UHFFFAOYSA-N 1 0 408.495 0.812 20 0 HCADRO Cc1oc(S(N)(=O)=O)cc1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000539529084 1075368662 /nfs/dbraw/zinc/36/86/62/1075368662.db2.gz 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C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000540052918 1075550005 /nfs/dbraw/zinc/55/00/05/1075550005.db2.gz SUWJBTAUOOIKQR-JKSUJKDBSA-N 1 0 410.540 0.670 20 0 HCADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCC(=O)N(C)C ZINC000540053262 1075550814 /nfs/dbraw/zinc/55/08/14/1075550814.db2.gz BALYVCTXFDFIHL-KRWDZBQOSA-N 1 0 412.494 0.781 20 0 HCADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCC(=O)N(C)C ZINC000540053263 1075550916 /nfs/dbraw/zinc/55/09/16/1075550916.db2.gz BALYVCTXFDFIHL-QGZVFWFLSA-N 1 0 412.494 0.781 20 0 HCADRO CC(=O)NCCNC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540053281 1075550787 /nfs/dbraw/zinc/55/07/87/1075550787.db2.gz CBBWGTJUDUQRQC-GOSISDBHSA-N 1 0 412.494 0.829 20 0 HCADRO CC(=O)NCCNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540053282 1075550840 /nfs/dbraw/zinc/55/08/40/1075550840.db2.gz CBBWGTJUDUQRQC-SFHVURJKSA-N 1 0 412.494 0.829 20 0 HCADRO CC(C)(C)n1nccc1NC(=O)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000540054282 1075551289 /nfs/dbraw/zinc/55/12/89/1075551289.db2.gz XPUPHGCXOCLOMH-UHFFFAOYSA-N 1 0 404.515 0.733 20 0 HCADRO CCc1nn(C)c(OC)c1CNC(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000540056176 1075551352 /nfs/dbraw/zinc/55/13/52/1075551352.db2.gz HVZHDEXHWGKSLK-UHFFFAOYSA-N 1 0 416.530 0.793 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)nn1-c1ccccc1 ZINC000540063849 1075552876 /nfs/dbraw/zinc/55/28/76/1075552876.db2.gz JGULITJGPLMTQO-INIZCTEOSA-N 1 0 412.494 0.823 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nn1-c1ccccc1 ZINC000540063850 1075552866 /nfs/dbraw/zinc/55/28/66/1075552866.db2.gz JGULITJGPLMTQO-MRXNPFEDSA-N 1 0 412.494 0.823 20 0 HCADRO CN1CCN(C(=O)CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000540067257 1075553646 /nfs/dbraw/zinc/55/36/46/1075553646.db2.gz SJEYPIBDCUXRLK-FQEVSTJZSA-N 1 0 400.571 0.690 20 0 HCADRO CN1CCN(C(=O)CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000540067261 1075553663 /nfs/dbraw/zinc/55/36/63/1075553663.db2.gz SJEYPIBDCUXRLK-HXUWFJFHSA-N 1 0 400.571 0.690 20 0 HCADRO Cn1c2[nH]c(CN3CC[NH+](CCCOCC(F)(F)F)CC3)nc2c(=O)n(C)c1=O ZINC000540067699 1075549167 /nfs/dbraw/zinc/54/91/67/1075549167.db2.gz PJAHRPADAOXODN-UHFFFAOYSA-N 1 0 418.420 0.047 20 0 HCADRO CNC(=O)CCNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540073556 1075554668 /nfs/dbraw/zinc/55/46/68/1075554668.db2.gz DCCKMEFQFJWHKU-KRWDZBQOSA-N 1 0 412.494 0.829 20 0 HCADRO CNC(=O)CCNC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540073558 1075554701 /nfs/dbraw/zinc/55/47/01/1075554701.db2.gz DCCKMEFQFJWHKU-QGZVFWFLSA-N 1 0 412.494 0.829 20 0 HCADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCCCC(N)=O ZINC000540074284 1075554971 /nfs/dbraw/zinc/55/49/71/1075554971.db2.gz QADJPKQHRHYXNK-KRWDZBQOSA-N 1 0 412.494 0.959 20 0 HCADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCCCC(N)=O ZINC000540074289 1075555018 /nfs/dbraw/zinc/55/50/18/1075555018.db2.gz QADJPKQHRHYXNK-QGZVFWFLSA-N 1 0 412.494 0.959 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1C ZINC000540080054 1075558880 /nfs/dbraw/zinc/55/88/80/1075558880.db2.gz NZFQZLPTNGMRJA-UHFFFAOYSA-N 1 0 423.539 0.675 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)Nc1ccnn1Cc1ccccn1 ZINC000540080797 1075559399 /nfs/dbraw/zinc/55/93/99/1075559399.db2.gz DQERNQGTQJLKLU-UHFFFAOYSA-N 1 0 401.515 0.838 20 0 HCADRO COCCNC(=O)CN1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000540082406 1075556218 /nfs/dbraw/zinc/55/62/18/1075556218.db2.gz LZQGUJJWLVRNOI-UHFFFAOYSA-N 1 0 418.542 0.388 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccnn2Cc2ccccn2)cn1 ZINC000540082539 1075556228 /nfs/dbraw/zinc/55/62/28/1075556228.db2.gz QKNYGAQWNVJRAU-UHFFFAOYSA-N 1 0 411.470 0.845 20 0 HCADRO COCC[N@H+](C)CCCC1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000540099614 1075559967 /nfs/dbraw/zinc/55/99/67/1075559967.db2.gz DSMRJVHDIUAULF-UHFFFAOYSA-N 1 0 406.531 0.531 20 0 HCADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000540108479 1075563970 /nfs/dbraw/zinc/56/39/70/1075563970.db2.gz JWYWHGGLKONBPS-UHFFFAOYSA-N 1 0 417.491 0.700 20 0 HCADRO COc1ncc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1C(N)=O ZINC000540108634 1075564063 /nfs/dbraw/zinc/56/40/63/1075564063.db2.gz OEBJFYSQQAKANU-UHFFFAOYSA-N 1 0 412.450 0.555 20 0 HCADRO CS[C@H]1CN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C[C@H]1[NH+](C)C ZINC000540126122 1075567211 /nfs/dbraw/zinc/56/72/11/1075567211.db2.gz KNIHMNNGGUWFIA-CABCVRRESA-N 1 0 415.527 0.368 20 0 HCADRO CS[C@H]1CN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C[C@@H]1[NH+](C)C ZINC000540126123 1075567276 /nfs/dbraw/zinc/56/72/76/1075567276.db2.gz KNIHMNNGGUWFIA-GJZGRUSLSA-N 1 0 415.527 0.368 20 0 HCADRO CS[C@@H]1CN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C[C@H]1[NH+](C)C ZINC000540126124 1075567324 /nfs/dbraw/zinc/56/73/24/1075567324.db2.gz KNIHMNNGGUWFIA-HUUCEWRRSA-N 1 0 415.527 0.368 20 0 HCADRO CS[C@@H]1CN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C[C@@H]1[NH+](C)C ZINC000540126125 1075567184 /nfs/dbraw/zinc/56/71/84/1075567184.db2.gz KNIHMNNGGUWFIA-LSDHHAIUSA-N 1 0 415.527 0.368 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000540127696 1075567752 /nfs/dbraw/zinc/56/77/52/1075567752.db2.gz OSEBHZRKIPIGOF-KRWDZBQOSA-N 1 0 405.543 0.870 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000540127700 1075567736 /nfs/dbraw/zinc/56/77/36/1075567736.db2.gz OSEBHZRKIPIGOF-QGZVFWFLSA-N 1 0 405.543 0.870 20 0 HCADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000540132062 1075569449 /nfs/dbraw/zinc/56/94/49/1075569449.db2.gz IZZASVGMFOXSGI-IBGZPJMESA-N 1 0 415.538 0.595 20 0 HCADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000540132063 1075569577 /nfs/dbraw/zinc/56/95/77/1075569577.db2.gz IZZASVGMFOXSGI-LJQANCHMSA-N 1 0 415.538 0.595 20 0 HCADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000540135328 1075574421 /nfs/dbraw/zinc/57/44/21/1075574421.db2.gz XASUGYSGQCZGII-UHFFFAOYSA-N 1 0 421.523 0.981 20 0 HCADRO CNC(=O)Cn1cc(NC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000540136457 1075575079 /nfs/dbraw/zinc/57/50/79/1075575079.db2.gz RDKOEYAEVIYILW-UHFFFAOYSA-N 1 0 413.526 0.959 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3CS(=O)(=O)CCO3)CC2)cc1 ZINC000540162767 1075575998 /nfs/dbraw/zinc/57/59/98/1075575998.db2.gz AQCVOUJZUPUEHN-INIZCTEOSA-N 1 0 402.538 0.551 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CS(=O)(=O)CCO3)CC2)cc1 ZINC000540162773 1075575963 /nfs/dbraw/zinc/57/59/63/1075575963.db2.gz AQCVOUJZUPUEHN-MRXNPFEDSA-N 1 0 402.538 0.551 20 0 HCADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000540171261 1075578432 /nfs/dbraw/zinc/57/84/32/1075578432.db2.gz PZCIGJKRPGMFJJ-UHFFFAOYSA-N 1 0 415.478 0.853 20 0 HCADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000540173041 1075578163 /nfs/dbraw/zinc/57/81/63/1075578163.db2.gz KNQWWFJVLAGYDL-HNNXBMFYSA-N 1 0 419.569 0.686 20 0 HCADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000540173042 1075578268 /nfs/dbraw/zinc/57/82/68/1075578268.db2.gz KNQWWFJVLAGYDL-OAHLLOKOSA-N 1 0 419.569 0.686 20 0 HCADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540181945 1075580276 /nfs/dbraw/zinc/58/02/76/1075580276.db2.gz IRHMXGMHNJDBSK-CRAIPNDOSA-N 1 0 410.540 0.642 20 0 HCADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540181955 1075580146 /nfs/dbraw/zinc/58/01/46/1075580146.db2.gz IRHMXGMHNJDBSK-MAUKXSAKSA-N 1 0 410.540 0.642 20 0 HCADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540181957 1075580437 /nfs/dbraw/zinc/58/04/37/1075580437.db2.gz IRHMXGMHNJDBSK-QAPCUYQASA-N 1 0 410.540 0.642 20 0 HCADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540181959 1075580395 /nfs/dbraw/zinc/58/03/95/1075580395.db2.gz IRHMXGMHNJDBSK-YJBOKZPZSA-N 1 0 410.540 0.642 20 0 HCADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000540183952 1075580169 /nfs/dbraw/zinc/58/01/69/1075580169.db2.gz VSJASUZSPHWUOR-IEIRFRATSA-N 1 0 416.566 0.971 20 0 HCADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000540183956 1075580223 /nfs/dbraw/zinc/58/02/23/1075580223.db2.gz VSJASUZSPHWUOR-RRPUWOKSSA-N 1 0 416.566 0.971 20 0 HCADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000540183959 1075580331 /nfs/dbraw/zinc/58/03/31/1075580331.db2.gz VSJASUZSPHWUOR-WPYKKVEZSA-N 1 0 416.566 0.971 20 0 HCADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000540183963 1075580256 /nfs/dbraw/zinc/58/02/56/1075580256.db2.gz VSJASUZSPHWUOR-XKCSPQBFSA-N 1 0 416.566 0.971 20 0 HCADRO Cn1c2[nH]c(CCC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)nc2c(=O)[nH]c1=O ZINC000540191304 1075579809 /nfs/dbraw/zinc/57/98/09/1075579809.db2.gz OLRUKXJLVVZDAW-UHFFFAOYSA-N 1 0 411.466 0.723 20 0 HCADRO CN1CCN(c2ncc(C[NH2+]CCOc3ccc(NS(C)(=O)=O)cc3)cn2)CC1 ZINC000540203235 1075581331 /nfs/dbraw/zinc/58/13/31/1075581331.db2.gz PKQZAFHDKKVAJX-UHFFFAOYSA-N 1 0 420.539 0.769 20 0 HCADRO CC[N@H+](CCNS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)C1CC1 ZINC000540204478 1075581391 /nfs/dbraw/zinc/58/13/91/1075581391.db2.gz GUCSRRYMMKLLHZ-UHFFFAOYSA-N 1 0 409.599 0.993 20 0 HCADRO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000540205361 1075581835 /nfs/dbraw/zinc/58/18/35/1075581835.db2.gz HFQNZSAMYOHJAH-CYBMUJFWSA-N 1 0 421.610 0.993 20 0 HCADRO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000540205363 1075581777 /nfs/dbraw/zinc/58/17/77/1075581777.db2.gz HFQNZSAMYOHJAH-ZDUSSCGKSA-N 1 0 421.610 0.993 20 0 HCADRO O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000540231733 1075586795 /nfs/dbraw/zinc/58/67/95/1075586795.db2.gz HXDWAATWGAXYRM-INIZCTEOSA-N 1 0 412.490 0.917 20 0 HCADRO O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000540231735 1075586886 /nfs/dbraw/zinc/58/68/86/1075586886.db2.gz HXDWAATWGAXYRM-MRXNPFEDSA-N 1 0 412.490 0.917 20 0 HCADRO CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1C ZINC000540232821 1075586769 /nfs/dbraw/zinc/58/67/69/1075586769.db2.gz UGTPKUVTAFQLNJ-UHFFFAOYSA-N 1 0 405.499 0.380 20 0 HCADRO CS(=O)(=O)Nc1ccc(OCCNC(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000540240888 1075588651 /nfs/dbraw/zinc/58/86/51/1075588651.db2.gz LOCZJURLBGVRPK-UHFFFAOYSA-N 1 0 414.528 0.849 20 0 HCADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000540241519 1075589067 /nfs/dbraw/zinc/58/90/67/1075589067.db2.gz ONKYMUYVWFZBFU-HNNXBMFYSA-N 1 0 413.544 0.372 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000540241523 1075588979 /nfs/dbraw/zinc/58/89/79/1075588979.db2.gz ONKYMUYVWFZBFU-OAHLLOKOSA-N 1 0 413.544 0.372 20 0 HCADRO COC(=O)Cn1cc(CC[NH+]2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000540244640 1075589812 /nfs/dbraw/zinc/58/98/12/1075589812.db2.gz 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CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3nc(C)cn3c2)CC1 ZINC000540258635 1075591291 /nfs/dbraw/zinc/59/12/91/1075591291.db2.gz IDJYOHPYNSDWCY-UHFFFAOYSA-N 1 0 400.483 0.594 20 0 HCADRO Cc1cn2cc(NC(=O)C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)ccc2n1 ZINC000540259596 1075591748 /nfs/dbraw/zinc/59/17/48/1075591748.db2.gz SFTFTZBICCBUGF-UHFFFAOYSA-N 1 0 400.483 0.640 20 0 HCADRO CCc1nn(C)cc1NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000540260832 1075592332 /nfs/dbraw/zinc/59/23/32/1075592332.db2.gz OSJZPEZALBJFET-UHFFFAOYSA-N 1 0 414.514 0.430 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000540261304 1075592371 /nfs/dbraw/zinc/59/23/71/1075592371.db2.gz WORJEOMJHFLZRB-UHFFFAOYSA-N 1 0 420.919 0.687 20 0 HCADRO O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000540261508 1075592850 /nfs/dbraw/zinc/59/28/50/1075592850.db2.gz GFBGMAZEZRTOQI-DOTOQJQBSA-N 1 0 412.490 0.963 20 0 HCADRO O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 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HCADRO COCCCN(C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000540271092 1075604279 /nfs/dbraw/zinc/60/42/79/1075604279.db2.gz FAZGPHKFWUBMNR-MSOLQXFVSA-N 1 0 418.604 0.494 20 0 HCADRO COCCCN(C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000540271093 1075604248 /nfs/dbraw/zinc/60/42/48/1075604248.db2.gz FAZGPHKFWUBMNR-QZTJIDSGSA-N 1 0 418.604 0.494 20 0 HCADRO COCCCN(C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000540271094 1075603913 /nfs/dbraw/zinc/60/39/13/1075603913.db2.gz FAZGPHKFWUBMNR-ROUUACIJSA-N 1 0 418.604 0.494 20 0 HCADRO COCCCN(C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000540271095 1075603856 /nfs/dbraw/zinc/60/38/56/1075603856.db2.gz FAZGPHKFWUBMNR-ZWKOTPCHSA-N 1 0 418.604 0.494 20 0 HCADRO CCOC(=O)c1cc(NC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cn1C ZINC000540271394 1075605080 /nfs/dbraw/zinc/60/50/80/1075605080.db2.gz UVXNLZYUVPTVIC-UHFFFAOYSA-N 1 0 419.526 0.815 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000540272354 1075605904 /nfs/dbraw/zinc/60/59/04/1075605904.db2.gz CVCMDHJUAUEQPC-UHFFFAOYSA-N 1 0 412.512 0.994 20 0 HCADRO CCOC(=O)c1cc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cn1C ZINC000540272711 1075605484 /nfs/dbraw/zinc/60/54/84/1075605484.db2.gz UASKPLWNASONOS-KRWDZBQOSA-N 1 0 407.515 0.529 20 0 HCADRO CCOC(=O)c1cc(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cn1C ZINC000540272712 1075605389 /nfs/dbraw/zinc/60/53/89/1075605389.db2.gz UASKPLWNASONOS-QGZVFWFLSA-N 1 0 407.515 0.529 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc(S(C)(=O)=O)c1 ZINC000540273185 1075605190 /nfs/dbraw/zinc/60/51/90/1075605190.db2.gz BEWCGFOPPLYHGO-UHFFFAOYSA-N 1 0 411.480 0.417 20 0 HCADRO COCCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1Cl ZINC000540273345 1075606240 /nfs/dbraw/zinc/60/62/40/1075606240.db2.gz INZWYPXYDNBDPZ-LLVKDONJSA-N 1 0 408.282 0.996 20 0 HCADRO COCCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1Cl ZINC000540273346 1075606254 /nfs/dbraw/zinc/60/62/54/1075606254.db2.gz INZWYPXYDNBDPZ-NSHDSACASA-N 1 0 408.282 0.996 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC000540273705 1075606245 /nfs/dbraw/zinc/60/62/45/1075606245.db2.gz QMBBKYUXODKIOW-UHFFFAOYSA-N 1 0 400.501 0.390 20 0 HCADRO COc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1NS(C)(=O)=O ZINC000540274091 1075605887 /nfs/dbraw/zinc/60/58/87/1075605887.db2.gz BVMILYWWPKQKMH-GFCCVEGCSA-N 1 0 410.496 0.606 20 0 HCADRO COc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1NS(C)(=O)=O ZINC000540274092 1075605836 /nfs/dbraw/zinc/60/58/36/1075605836.db2.gz BVMILYWWPKQKMH-LBPRGKRZSA-N 1 0 410.496 0.606 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000540274766 1075606585 /nfs/dbraw/zinc/60/65/85/1075606585.db2.gz SLWOWHSYDNQRAM-GFCCVEGCSA-N 1 0 410.496 0.606 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000540274768 1075606592 /nfs/dbraw/zinc/60/65/92/1075606592.db2.gz SLWOWHSYDNQRAM-LBPRGKRZSA-N 1 0 410.496 0.606 20 0 HCADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1NS(C)(=O)=O ZINC000540274858 1075606613 /nfs/dbraw/zinc/60/66/13/1075606613.db2.gz AKKCPTFKNYCGAP-CYBMUJFWSA-N 1 0 412.512 0.852 20 0 HCADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1NS(C)(=O)=O ZINC000540274859 1075606637 /nfs/dbraw/zinc/60/66/37/1075606637.db2.gz AKKCPTFKNYCGAP-ZDUSSCGKSA-N 1 0 412.512 0.852 20 0 HCADRO CCc1nnc(-c2ccc(NC(=O)C(=O)NCCN3CC[NH+](CC)CC3)cc2)o1 ZINC000540274944 1075606624 /nfs/dbraw/zinc/60/66/24/1075606624.db2.gz YNSPOIVSKZKLRQ-UHFFFAOYSA-N 1 0 400.483 0.991 20 0 HCADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(OC)c1 ZINC000540278170 1075598316 /nfs/dbraw/zinc/59/83/16/1075598316.db2.gz GSSWFJVDMGWXOR-AWEZNQCLSA-N 1 0 412.512 0.996 20 0 HCADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(OC)c1 ZINC000540278171 1075598265 /nfs/dbraw/zinc/59/82/65/1075598265.db2.gz GSSWFJVDMGWXOR-CQSZACIVSA-N 1 0 412.512 0.996 20 0 HCADRO COCCCN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000540278635 1075599006 /nfs/dbraw/zinc/59/90/06/1075599006.db2.gz YMQRGUZMHNECRM-KRWDZBQOSA-N 1 0 404.577 0.248 20 0 HCADRO COCCCN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000540278636 1075598927 /nfs/dbraw/zinc/59/89/27/1075598927.db2.gz YMQRGUZMHNECRM-QGZVFWFLSA-N 1 0 404.577 0.248 20 0 HCADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1OC ZINC000540279003 1075598556 /nfs/dbraw/zinc/59/85/56/1075598556.db2.gz PRLADRBCGIMWPC-GFCCVEGCSA-N 1 0 400.501 0.852 20 0 HCADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1OC ZINC000540279004 1075598587 /nfs/dbraw/zinc/59/85/87/1075598587.db2.gz PRLADRBCGIMWPC-LBPRGKRZSA-N 1 0 400.501 0.852 20 0 HCADRO O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000540279176 1075598718 /nfs/dbraw/zinc/59/87/18/1075598718.db2.gz HHSCELKTNRJCJL-INIZCTEOSA-N 1 0 412.490 0.821 20 0 HCADRO O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000540279178 1075598676 /nfs/dbraw/zinc/59/86/76/1075598676.db2.gz HHSCELKTNRJCJL-MRXNPFEDSA-N 1 0 412.490 0.821 20 0 HCADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 ZINC000540279397 1075599795 /nfs/dbraw/zinc/59/97/95/1075599795.db2.gz ZEMGBEYCMPJTRQ-GFCCVEGCSA-N 1 0 413.496 0.662 20 0 HCADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 ZINC000540279398 1075599890 /nfs/dbraw/zinc/59/98/90/1075599890.db2.gz ZEMGBEYCMPJTRQ-LBPRGKRZSA-N 1 0 413.496 0.662 20 0 HCADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000540279760 1075599424 /nfs/dbraw/zinc/59/94/24/1075599424.db2.gz FLTVAECGLUFHHM-UHFFFAOYSA-N 1 0 424.571 0.185 20 0 HCADRO COCCN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000540279962 1075599453 /nfs/dbraw/zinc/59/94/53/1075599453.db2.gz DPPYHXFFUWVPRX-INIZCTEOSA-N 1 0 414.528 0.367 20 0 HCADRO COCCN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000540279963 1075599372 /nfs/dbraw/zinc/59/93/72/1075599372.db2.gz DPPYHXFFUWVPRX-MRXNPFEDSA-N 1 0 414.528 0.367 20 0 HCADRO COc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1NS(C)(=O)=O ZINC000540280590 1075599808 /nfs/dbraw/zinc/59/98/08/1075599808.db2.gz JZOPECMSMBNRFT-UHFFFAOYSA-N 1 0 424.523 0.996 20 0 HCADRO COc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1NS(C)(=O)=O ZINC000540281459 1075600910 /nfs/dbraw/zinc/60/09/10/1075600910.db2.gz YAPMEMGGGWJOFQ-UHFFFAOYSA-N 1 0 407.452 0.050 20 0 HCADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 ZINC000540281736 1075600544 /nfs/dbraw/zinc/60/05/44/1075600544.db2.gz YCJQQBRNFKBTGE-AWEZNQCLSA-N 1 0 412.512 0.996 20 0 HCADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 ZINC000540281737 1075600449 /nfs/dbraw/zinc/60/04/49/1075600449.db2.gz YCJQQBRNFKBTGE-CQSZACIVSA-N 1 0 412.512 0.996 20 0 HCADRO COc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)ccc1NS(C)(=O)=O ZINC000540281950 1075600529 /nfs/dbraw/zinc/60/05/29/1075600529.db2.gz SJGLJZWCZJOFSG-UHFFFAOYSA-N 1 0 412.512 0.997 20 0 HCADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1)C(C)C ZINC000540282003 1075600434 /nfs/dbraw/zinc/60/04/34/1075600434.db2.gz RZBLSNVDFPPNTO-UHFFFAOYSA-N 1 0 400.501 0.852 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000540282121 1075600494 /nfs/dbraw/zinc/60/04/94/1075600494.db2.gz SSDBMZXUKJYVPM-UHFFFAOYSA-N 1 0 412.512 0.853 20 0 HCADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1NS(C)(=O)=O ZINC000540282668 1075601248 /nfs/dbraw/zinc/60/12/48/1075601248.db2.gz ASOSFDOBPGVOJB-CYBMUJFWSA-N 1 0 412.512 0.853 20 0 HCADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1NS(C)(=O)=O ZINC000540282669 1075601392 /nfs/dbraw/zinc/60/13/92/1075601392.db2.gz ASOSFDOBPGVOJB-ZDUSSCGKSA-N 1 0 412.512 0.853 20 0 HCADRO COc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)ccc1NS(C)(=O)=O ZINC000540283453 1075602037 /nfs/dbraw/zinc/60/20/37/1075602037.db2.gz DILJLVTUTRSTOP-UHFFFAOYSA-N 1 0 412.512 0.996 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000540283458 1075602092 /nfs/dbraw/zinc/60/20/92/1075602092.db2.gz DMHPFRZKCFJLTR-CYBMUJFWSA-N 1 0 412.512 0.996 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000540283459 1075602049 /nfs/dbraw/zinc/60/20/49/1075602049.db2.gz DMHPFRZKCFJLTR-ZDUSSCGKSA-N 1 0 412.512 0.996 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000540283490 1075602106 /nfs/dbraw/zinc/60/21/06/1075602106.db2.gz FNWWFMQNJJHASA-CYBMUJFWSA-N 1 0 412.512 0.996 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000540283491 1078335719 /nfs/dbraw/zinc/33/57/19/1078335719.db2.gz FNWWFMQNJJHASA-ZDUSSCGKSA-N 1 0 412.512 0.996 20 0 HCADRO COc1cc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)ccc1NS(C)(=O)=O ZINC000540283533 1075601738 /nfs/dbraw/zinc/60/17/38/1075601738.db2.gz HMPOMXBHWWPXSY-UHFFFAOYSA-N 1 0 412.512 0.853 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3c(C)ccn(C)c3=O)cn2)CC1 ZINC000540283610 1075601692 /nfs/dbraw/zinc/60/16/92/1075601692.db2.gz KPZIGRALKJRQOC-UHFFFAOYSA-N 1 0 412.494 0.486 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000540283780 1075601723 /nfs/dbraw/zinc/60/17/23/1075601723.db2.gz PACGVWPUGYRVSM-UHFFFAOYSA-N 1 0 412.512 0.853 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000540283829 1075601345 /nfs/dbraw/zinc/60/13/45/1075601345.db2.gz RHRHBMZZJHWJIN-GDBMZVCRSA-N 1 0 400.479 0.821 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000540283830 1075601374 /nfs/dbraw/zinc/60/13/74/1075601374.db2.gz RHRHBMZZJHWJIN-GOEBONIOSA-N 1 0 400.479 0.821 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000540283831 1075601758 /nfs/dbraw/zinc/60/17/58/1075601758.db2.gz RHRHBMZZJHWJIN-HOCLYGCPSA-N 1 0 400.479 0.821 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000540283832 1075601730 /nfs/dbraw/zinc/60/17/30/1075601730.db2.gz RHRHBMZZJHWJIN-ZBFHGGJFSA-N 1 0 400.479 0.821 20 0 HCADRO COc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)ccc1NS(C)(=O)=O ZINC000540283852 1075601745 /nfs/dbraw/zinc/60/17/45/1075601745.db2.gz SNWSAILFESQGHN-UHFFFAOYSA-N 1 0 410.496 0.748 20 0 HCADRO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1NS(C)(=O)=O ZINC000540283996 1075601360 /nfs/dbraw/zinc/60/13/60/1075601360.db2.gz VOPAZDCERVJTDS-UHFFFAOYSA-N 1 0 412.512 0.997 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(N)=O)cc3F)cn2)CC1 ZINC000540284111 1075601327 /nfs/dbraw/zinc/60/13/27/1075601327.db2.gz LBIVSAIWVSREED-UHFFFAOYSA-N 1 0 414.441 0.326 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)ccc1NS(C)(=O)=O ZINC000540284456 1075602408 /nfs/dbraw/zinc/60/24/08/1075602408.db2.gz DPDFCGJEKWPGOD-UHFFFAOYSA-N 1 0 412.512 0.994 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1NS(C)(=O)=O ZINC000540284504 1075602371 /nfs/dbraw/zinc/60/23/71/1075602371.db2.gz BGGFEAYHCROEGM-UHFFFAOYSA-N 1 0 412.512 0.994 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000540285296 1075602734 /nfs/dbraw/zinc/60/27/34/1075602734.db2.gz MMFDWKZDOYSEKI-UHFFFAOYSA-N 1 0 418.494 0.446 20 0 HCADRO CCc1cnccc1[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000540285571 1075602828 /nfs/dbraw/zinc/60/28/28/1075602828.db2.gz QJQAPPWENKIZJP-AWEZNQCLSA-N 1 0 415.498 0.334 20 0 HCADRO CCc1cnccc1[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000540285573 1075602723 /nfs/dbraw/zinc/60/27/23/1075602723.db2.gz QJQAPPWENKIZJP-CQSZACIVSA-N 1 0 415.498 0.334 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1-n1nnnc1C ZINC000540286711 1075614026 /nfs/dbraw/zinc/61/40/26/1075614026.db2.gz PKSMBMLFHURSQX-UHFFFAOYSA-N 1 0 401.471 0.907 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000540287013 1075603126 /nfs/dbraw/zinc/60/31/26/1075603126.db2.gz FOMBXNAIZRLMBW-UHFFFAOYSA-N 1 0 403.574 0.711 20 0 HCADRO Cc1ccsc1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000540288559 1075614729 /nfs/dbraw/zinc/61/47/29/1075614729.db2.gz FMYTWPSYJLJYEX-UHFFFAOYSA-N 1 0 406.512 0.228 20 0 HCADRO Cn1c(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000540288744 1075614693 /nfs/dbraw/zinc/61/46/93/1075614693.db2.gz LDAYLVYQLRDLLB-UHFFFAOYSA-N 1 0 419.530 0.293 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)c(OCC[NH+](C)C)c1 ZINC000540289498 1075615167 /nfs/dbraw/zinc/61/51/67/1075615167.db2.gz FRSIQIXMZGLHQZ-UHFFFAOYSA-N 1 0 419.526 0.282 20 0 HCADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000540291492 1075616375 /nfs/dbraw/zinc/61/63/75/1075616375.db2.gz JOKUTCUHZJKMPI-UHFFFAOYSA-N 1 0 415.538 0.672 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000540291616 1075616406 /nfs/dbraw/zinc/61/64/06/1075616406.db2.gz ZJWITXJFALOYFL-UHFFFAOYSA-N 1 0 418.494 0.907 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000540291688 1075616188 /nfs/dbraw/zinc/61/61/88/1075616188.db2.gz IJLPNMUDMHBSFW-KRWDZBQOSA-N 1 0 415.538 0.920 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000540291692 1075616240 /nfs/dbraw/zinc/61/62/40/1075616240.db2.gz IJLPNMUDMHBSFW-QGZVFWFLSA-N 1 0 415.538 0.920 20 0 HCADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC000540291877 1075616197 /nfs/dbraw/zinc/61/61/97/1075616197.db2.gz FGNQPXPBDDCUCW-KRWDZBQOSA-N 1 0 422.551 0.656 20 0 HCADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC000540291882 1075616128 /nfs/dbraw/zinc/61/61/28/1075616128.db2.gz FGNQPXPBDDCUCW-QGZVFWFLSA-N 1 0 422.551 0.656 20 0 HCADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)C2)CC1 ZINC000540292764 1075616859 /nfs/dbraw/zinc/61/68/59/1075616859.db2.gz YZMPVAJFKQXEKY-GOSISDBHSA-N 1 0 412.498 0.228 20 0 HCADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)C2)CC1 ZINC000540292765 1075617217 /nfs/dbraw/zinc/61/72/17/1075617217.db2.gz YZMPVAJFKQXEKY-SFHVURJKSA-N 1 0 412.498 0.228 20 0 HCADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cccn4)nc3)C2)CC1 ZINC000540292824 1075617169 /nfs/dbraw/zinc/61/71/69/1075617169.db2.gz OEZQPJHUJZWPAQ-GOSISDBHSA-N 1 0 411.510 0.833 20 0 HCADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cccn4)nc3)C2)CC1 ZINC000540292825 1075617209 /nfs/dbraw/zinc/61/72/09/1075617209.db2.gz OEZQPJHUJZWPAQ-SFHVURJKSA-N 1 0 411.510 0.833 20 0 HCADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)CC1 ZINC000540292929 1075616837 /nfs/dbraw/zinc/61/68/37/1075616837.db2.gz QASNPIQRMDEBFR-INIZCTEOSA-N 1 0 415.494 0.697 20 0 HCADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)CC1 ZINC000540292930 1075616877 /nfs/dbraw/zinc/61/68/77/1075616877.db2.gz QASNPIQRMDEBFR-MRXNPFEDSA-N 1 0 415.494 0.697 20 0 HCADRO O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)NCCCN1CCCCCC1=O ZINC000540296187 1075607583 /nfs/dbraw/zinc/60/75/83/1075607583.db2.gz MDGJQYXWVLBRPC-UHFFFAOYSA-N 1 0 410.559 0.054 20 0 HCADRO CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000540297041 1075608749 /nfs/dbraw/zinc/60/87/49/1075608749.db2.gz WWISEIMTJKMBSU-UHFFFAOYSA-N 1 0 402.495 0.579 20 0 HCADRO CCNC(=O)c1cccc(NC(=O)CN2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000540297430 1075609562 /nfs/dbraw/zinc/60/95/62/1075609562.db2.gz LHAGUVLTEWBZEV-UHFFFAOYSA-N 1 0 404.511 0.534 20 0 HCADRO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000540297538 1075609462 /nfs/dbraw/zinc/60/94/62/1075609462.db2.gz QUPRAWBVHKQLAI-KRWDZBQOSA-N 1 0 419.522 0.637 20 0 HCADRO COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000540297539 1075609584 /nfs/dbraw/zinc/60/95/84/1075609584.db2.gz QUPRAWBVHKQLAI-QGZVFWFLSA-N 1 0 419.522 0.637 20 0 HCADRO O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)NCCOc1ccc(Cl)cc1 ZINC000540297542 1075609428 /nfs/dbraw/zinc/60/94/28/1075609428.db2.gz RHGGSJXLHTYTLA-UHFFFAOYSA-N 1 0 411.930 0.994 20 0 HCADRO O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)Nc1ccc(Br)cn1 ZINC000540297715 1075609521 /nfs/dbraw/zinc/60/95/21/1075609521.db2.gz OTIMOUQNDSWMGQ-UHFFFAOYSA-N 1 0 413.316 0.942 20 0 HCADRO COc1cc(NC(=O)CN2CCC(O)(C[NH+]3CCOCC3)CC2)cc(OC)c1OC ZINC000540297859 1075609405 /nfs/dbraw/zinc/60/94/05/1075609405.db2.gz VOBWJLYWUXQYHS-UHFFFAOYSA-N 1 0 423.510 0.810 20 0 HCADRO Cn1c2nnc(CN3CCC(O)(C[NH+]4CCOCC4)CC3)n2c2ccccc2c1=O ZINC000540297928 1075609546 /nfs/dbraw/zinc/60/95/46/1075609546.db2.gz SQWNRJVTTJQZPV-UHFFFAOYSA-N 1 0 412.494 0.240 20 0 HCADRO O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000540298453 1075610758 /nfs/dbraw/zinc/61/07/58/1075610758.db2.gz ZEZXTHMOQKCDHO-UHFFFAOYSA-N 1 0 420.466 0.223 20 0 HCADRO CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)C1 ZINC000540298967 1075610345 /nfs/dbraw/zinc/61/03/45/1075610345.db2.gz CKOFBFVIWVFZQJ-UHFFFAOYSA-N 1 0 401.511 0.750 20 0 HCADRO C[N@@H+]1CCCC12CCN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000540299185 1075609900 /nfs/dbraw/zinc/60/99/00/1075609900.db2.gz QWDFPZIDYUBSNQ-MSOLQXFVSA-N 1 0 413.584 0.741 20 0 HCADRO C[N@@H+]1CCCC12CCN(CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000540299186 1075609872 /nfs/dbraw/zinc/60/98/72/1075609872.db2.gz QWDFPZIDYUBSNQ-QZTJIDSGSA-N 1 0 413.584 0.741 20 0 HCADRO C[N@@H+]1CCCC12CCN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)CC2 ZINC000540299187 1075609919 /nfs/dbraw/zinc/60/99/19/1075609919.db2.gz QWDFPZIDYUBSNQ-ROUUACIJSA-N 1 0 413.584 0.741 20 0 HCADRO C[N@@H+]1CCCC12CCN(CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)CC2 ZINC000540299188 1075609903 /nfs/dbraw/zinc/60/99/03/1075609903.db2.gz QWDFPZIDYUBSNQ-ZWKOTPCHSA-N 1 0 413.584 0.741 20 0 HCADRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000540299757 1075610996 /nfs/dbraw/zinc/61/09/96/1075610996.db2.gz ASOSDAOTMOHNJE-HNNXBMFYSA-N 1 0 418.523 0.514 20 0 HCADRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000540299758 1075611115 /nfs/dbraw/zinc/61/11/15/1075611115.db2.gz ASOSDAOTMOHNJE-OAHLLOKOSA-N 1 0 418.523 0.514 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000540301880 1075611823 /nfs/dbraw/zinc/61/18/23/1075611823.db2.gz HEWBBIYGDIMZDM-DLBZAZTESA-N 1 0 414.462 0.502 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000540301887 1075611802 /nfs/dbraw/zinc/61/18/02/1075611802.db2.gz HEWBBIYGDIMZDM-IAGOWNOFSA-N 1 0 414.462 0.502 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000540301888 1075611742 /nfs/dbraw/zinc/61/17/42/1075611742.db2.gz HEWBBIYGDIMZDM-IRXDYDNUSA-N 1 0 414.462 0.502 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000540301890 1075612121 /nfs/dbraw/zinc/61/21/21/1075612121.db2.gz HEWBBIYGDIMZDM-SJORKVTESA-N 1 0 414.462 0.502 20 0 HCADRO COCc1cc(NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)ncn1 ZINC000540302790 1075612515 /nfs/dbraw/zinc/61/25/15/1075612515.db2.gz TUVIIWYYBDEVBU-UHFFFAOYSA-N 1 0 405.499 0.960 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)ccn1 ZINC000540305145 1075613721 /nfs/dbraw/zinc/61/37/21/1075613721.db2.gz GXWWWXHHILEYKN-UHFFFAOYSA-N 1 0 403.414 0.515 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000540305350 1075620534 /nfs/dbraw/zinc/62/05/34/1075620534.db2.gz LXMHJXXUHRDQMI-GXTWGEPZSA-N 1 0 412.512 0.994 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000540305351 1075620623 /nfs/dbraw/zinc/62/06/23/1075620623.db2.gz LXMHJXXUHRDQMI-JSGCOSHPSA-N 1 0 412.512 0.994 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000540305352 1075620667 /nfs/dbraw/zinc/62/06/67/1075620667.db2.gz LXMHJXXUHRDQMI-OCCSQVGLSA-N 1 0 412.512 0.994 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000540305353 1075620581 /nfs/dbraw/zinc/62/05/81/1075620581.db2.gz LXMHJXXUHRDQMI-TZMCWYRMSA-N 1 0 412.512 0.994 20 0 HCADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCCc2nnc[nH]2)CC1 ZINC000540306142 1075620983 /nfs/dbraw/zinc/62/09/83/1075620983.db2.gz AHGLJKAVZPXUGX-UHFFFAOYSA-N 1 0 405.890 0.897 20 0 HCADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000540306177 1075620976 /nfs/dbraw/zinc/62/09/76/1075620976.db2.gz GYHNADOWAUTILN-HNNXBMFYSA-N 1 0 406.892 0.079 20 0 HCADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000540306181 1075621112 /nfs/dbraw/zinc/62/11/12/1075621112.db2.gz GYHNADOWAUTILN-OAHLLOKOSA-N 1 0 406.892 0.079 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCc1nnc[nH]1 ZINC000540307008 1075621904 /nfs/dbraw/zinc/62/19/04/1075621904.db2.gz JRKNJPCHYIKSDM-UHFFFAOYSA-N 1 0 401.471 0.253 20 0 HCADRO COc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1NS(C)(=O)=O ZINC000540307933 1075622975 /nfs/dbraw/zinc/62/29/75/1075622975.db2.gz UJADGAMHHBVPOG-DOMZBBRYSA-N 1 0 412.512 0.850 20 0 HCADRO COc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1NS(C)(=O)=O ZINC000540307936 1075623093 /nfs/dbraw/zinc/62/30/93/1075623093.db2.gz UJADGAMHHBVPOG-IUODEOHRSA-N 1 0 412.512 0.850 20 0 HCADRO COc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1NS(C)(=O)=O ZINC000540307938 1075623062 /nfs/dbraw/zinc/62/30/62/1075623062.db2.gz UJADGAMHHBVPOG-SWLSCSKDSA-N 1 0 412.512 0.850 20 0 HCADRO COc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1NS(C)(=O)=O ZINC000540307939 1075623006 /nfs/dbraw/zinc/62/30/06/1075623006.db2.gz UJADGAMHHBVPOG-WFASDCNBSA-N 1 0 412.512 0.850 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000540308293 1075623367 /nfs/dbraw/zinc/62/33/67/1075623367.db2.gz WOMJWIXEHUTCAY-DOMZBBRYSA-N 1 0 412.512 0.850 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000540308294 1075623422 /nfs/dbraw/zinc/62/34/22/1075623422.db2.gz WOMJWIXEHUTCAY-IUODEOHRSA-N 1 0 412.512 0.850 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000540308295 1075623468 /nfs/dbraw/zinc/62/34/68/1075623468.db2.gz WOMJWIXEHUTCAY-SWLSCSKDSA-N 1 0 412.512 0.850 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000540308296 1075623492 /nfs/dbraw/zinc/62/34/92/1075623492.db2.gz WOMJWIXEHUTCAY-WFASDCNBSA-N 1 0 412.512 0.850 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCn2ncnn2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000540308410 1075624431 /nfs/dbraw/zinc/62/44/31/1075624431.db2.gz VMYZYTBCYMUUFR-KRWDZBQOSA-N 1 0 423.481 0.380 20 0 HCADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCCn1ncnn1 ZINC000540308516 1075623948 /nfs/dbraw/zinc/62/39/48/1075623948.db2.gz BDXSNLZXKBGATE-KRWDZBQOSA-N 1 0 423.481 0.380 20 0 HCADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCCn1ncnn1 ZINC000540308520 1075623904 /nfs/dbraw/zinc/62/39/04/1075623904.db2.gz BDXSNLZXKBGATE-QGZVFWFLSA-N 1 0 423.481 0.380 20 0 HCADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C(=O)NCCn2ncnn2)c1 ZINC000540308774 1075623840 /nfs/dbraw/zinc/62/38/40/1075623840.db2.gz WIDQANQHXTUDBF-UHFFFAOYSA-N 1 0 414.470 0.243 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCn2ncnn2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000540308924 1075623884 /nfs/dbraw/zinc/62/38/84/1075623884.db2.gz VMYZYTBCYMUUFR-QGZVFWFLSA-N 1 0 423.481 0.380 20 0 HCADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C(=O)NCCc2nnc[nH]2)c1 ZINC000540309161 1075623460 /nfs/dbraw/zinc/62/34/60/1075623460.db2.gz DCEIPMHTYOXKQL-UHFFFAOYSA-N 1 0 413.482 0.917 20 0 HCADRO Nc1noc(CCNC(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)n1 ZINC000540310078 1075624237 /nfs/dbraw/zinc/62/42/37/1075624237.db2.gz NQBZFYYTWHWWHI-UHFFFAOYSA-N 1 0 404.496 0.541 20 0 HCADRO C[C@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000540310355 1075624871 /nfs/dbraw/zinc/62/48/71/1075624871.db2.gz SPOGFLSKUNGAFG-BODITIBLSA-N 1 0 410.496 0.368 20 0 HCADRO C[C@@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000540310357 1075624695 /nfs/dbraw/zinc/62/46/95/1075624695.db2.gz SPOGFLSKUNGAFG-JNFKXCBWSA-N 1 0 410.496 0.368 20 0 HCADRO C[C@@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000540310359 1075624765 /nfs/dbraw/zinc/62/47/65/1075624765.db2.gz SPOGFLSKUNGAFG-PSBQPLHCSA-N 1 0 410.496 0.368 20 0 HCADRO C[C@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000540310360 1075624827 /nfs/dbraw/zinc/62/48/27/1075624827.db2.gz SPOGFLSKUNGAFG-YASQENCXSA-N 1 0 410.496 0.368 20 0 HCADRO CN1C(=O)NC2(CCN(C(=O)C(=O)Nc3ccc(OCC[NH+](C)C)cc3)CC2)C1=O ZINC000540310429 1075625596 /nfs/dbraw/zinc/62/55/96/1075625596.db2.gz UPLZURADZAKDRE-UHFFFAOYSA-N 1 0 417.466 0.108 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCCC(=O)NC3CC3)ccc2oc1=O ZINC000540312671 1075626821 /nfs/dbraw/zinc/62/68/21/1075626821.db2.gz FUMNQIWATQBQON-UHFFFAOYSA-N 1 0 417.466 0.270 20 0 HCADRO CCCN(C(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000540317978 1075618697 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COc1ccc([C@@H](CCO)[NH2+]CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000540330119 1075632092 /nfs/dbraw/zinc/63/20/92/1075632092.db2.gz DECAHXFAOZUHEL-LJQANCHMSA-N 1 0 420.554 0.767 20 0 HCADRO COc1ccc([C@H](C)[NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000540330743 1075632549 /nfs/dbraw/zinc/63/25/49/1075632549.db2.gz KAZODCUUQQMLJM-KRWDZBQOSA-N 1 0 404.511 0.349 20 0 HCADRO COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000540330744 1075632594 /nfs/dbraw/zinc/63/25/94/1075632594.db2.gz KAZODCUUQQMLJM-QGZVFWFLSA-N 1 0 404.511 0.349 20 0 HCADRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000540330797 1075632473 /nfs/dbraw/zinc/63/24/73/1075632473.db2.gz KVOFNZYXOJJMGS-GOSISDBHSA-N 1 0 419.503 0.945 20 0 HCADRO COc1ccc([C@H](CCO)[NH2+]CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000540330798 1075632566 /nfs/dbraw/zinc/63/25/66/1075632566.db2.gz KVOFNZYXOJJMGS-SFHVURJKSA-N 1 0 419.503 0.945 20 0 HCADRO CN(CCN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C1CC[NH+](C)CC1 ZINC000540330864 1075632127 /nfs/dbraw/zinc/63/21/27/1075632127.db2.gz GHAOMGWGVNZASU-UHFFFAOYSA-N 1 0 409.556 0.524 20 0 HCADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)NCCN1C(=O)CNC1=O ZINC000540332094 1075627672 /nfs/dbraw/zinc/62/76/72/1075627672.db2.gz XSSZJFRFDFOMOZ-UHFFFAOYSA-N 1 0 403.483 0.555 20 0 HCADRO CN(CCN(C)S(=O)(=O)c1cccc(-c2nnnn2C)c1)C1CC[NH+](C)CC1 ZINC000540332529 1075628148 /nfs/dbraw/zinc/62/81/48/1075628148.db2.gz DGJQYQFQTZSKHA-UHFFFAOYSA-N 1 0 407.544 0.524 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000540333994 1075628329 /nfs/dbraw/zinc/62/83/29/1075628329.db2.gz UYXIELWYCZGXHP-UHFFFAOYSA-N 1 0 401.511 0.809 20 0 HCADRO COC(=O)COc1ccc(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000540334004 1075628307 /nfs/dbraw/zinc/62/83/07/1075628307.db2.gz VMYATJYFWBMEQL-UHFFFAOYSA-N 1 0 413.540 0.885 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000540335027 1075628841 /nfs/dbraw/zinc/62/88/41/1075628841.db2.gz JLDWIBQMGGJVGR-UHFFFAOYSA-N 1 0 406.527 0.868 20 0 HCADRO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)O1 ZINC000540340327 1075634574 /nfs/dbraw/zinc/63/45/74/1075634574.db2.gz FZRWQQVGJMIFAE-DLBZAZTESA-N 1 0 404.515 0.268 20 0 HCADRO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)O1 ZINC000540340329 1075634368 /nfs/dbraw/zinc/63/43/68/1075634368.db2.gz FZRWQQVGJMIFAE-IAGOWNOFSA-N 1 0 404.515 0.268 20 0 HCADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)O1 ZINC000540340332 1078338583 /nfs/dbraw/zinc/33/85/83/1078338583.db2.gz FZRWQQVGJMIFAE-IRXDYDNUSA-N 1 0 404.515 0.268 20 0 HCADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)O1 ZINC000540340334 1075634564 /nfs/dbraw/zinc/63/45/64/1075634564.db2.gz FZRWQQVGJMIFAE-SJORKVTESA-N 1 0 404.515 0.268 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000540342750 1075634982 /nfs/dbraw/zinc/63/49/82/1075634982.db2.gz HWQXFFOOXBGHQR-AWEZNQCLSA-N 1 0 408.524 0.965 20 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CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)O1 ZINC000540347454 1075636559 /nfs/dbraw/zinc/63/65/59/1075636559.db2.gz ZZCJEYKKKYXKOT-WOJBJXKFSA-N 1 0 417.554 0.869 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CC[C@@H](C(=O)N(C)C)O3)cn2)CC1 ZINC000540348081 1075636552 /nfs/dbraw/zinc/63/65/52/1075636552.db2.gz JJQJMXSUPGOMGY-MSOLQXFVSA-N 1 0 418.542 0.659 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CC[C@H](C(=O)N(C)C)O3)cn2)CC1 ZINC000540348082 1075636599 /nfs/dbraw/zinc/63/65/99/1075636599.db2.gz JJQJMXSUPGOMGY-QZTJIDSGSA-N 1 0 418.542 0.659 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[C@@H](C(=O)N(C)C)O3)cn2)CC1 ZINC000540348083 1075636465 /nfs/dbraw/zinc/63/64/65/1075636465.db2.gz JJQJMXSUPGOMGY-ROUUACIJSA-N 1 0 418.542 0.659 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)cn2)CC1 ZINC000540348084 1075636501 /nfs/dbraw/zinc/63/65/01/1075636501.db2.gz JJQJMXSUPGOMGY-ZWKOTPCHSA-N 1 0 418.542 0.659 20 0 HCADRO COC(=O)CCN1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000540349441 1075632850 /nfs/dbraw/zinc/63/28/50/1075632850.db2.gz PUEVPIZHPMYEJO-QGZVFWFLSA-N 1 0 418.542 0.612 20 0 HCADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000540355445 1075633285 /nfs/dbraw/zinc/63/32/85/1075633285.db2.gz ZJDSROZVIJTOCP-DZGCQCFKSA-N 1 0 417.487 0.902 20 0 HCADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000540355446 1075633316 /nfs/dbraw/zinc/63/33/16/1075633316.db2.gz ZJDSROZVIJTOCP-HIFRSBDPSA-N 1 0 417.487 0.902 20 0 HCADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000540355448 1075633274 /nfs/dbraw/zinc/63/32/74/1075633274.db2.gz ZJDSROZVIJTOCP-UKRRQHHQSA-N 1 0 417.487 0.902 20 0 HCADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000540355449 1075633338 /nfs/dbraw/zinc/63/33/38/1075633338.db2.gz ZJDSROZVIJTOCP-ZFWWWQNUSA-N 1 0 417.487 0.902 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000540357970 1075633764 /nfs/dbraw/zinc/63/37/64/1075633764.db2.gz UMDZCGMYRCUYBO-CHWSQXEVSA-N 1 0 400.501 0.986 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000540357971 1075633631 /nfs/dbraw/zinc/63/36/31/1075633631.db2.gz UMDZCGMYRCUYBO-OLZOCXBDSA-N 1 0 400.501 0.986 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000540357972 1075633723 /nfs/dbraw/zinc/63/37/23/1075633723.db2.gz UMDZCGMYRCUYBO-QWHCGFSZSA-N 1 0 400.501 0.986 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000540357973 1075633809 /nfs/dbraw/zinc/63/38/09/1075633809.db2.gz UMDZCGMYRCUYBO-STQMWFEESA-N 1 0 400.501 0.986 20 0 HCADRO COc1ccc(C2([NH2+]CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000540360064 1075642435 /nfs/dbraw/zinc/64/24/35/1075642435.db2.gz PBHMODCBKFNJBE-KRWDZBQOSA-N 1 0 407.536 0.605 20 0 HCADRO COc1ccc(C2([NH2+]CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000540360069 1075642482 /nfs/dbraw/zinc/64/24/82/1075642482.db2.gz PBHMODCBKFNJBE-QGZVFWFLSA-N 1 0 407.536 0.605 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000540361717 1075643286 /nfs/dbraw/zinc/64/32/86/1075643286.db2.gz NWOWSKYCMDOBSF-AWEZNQCLSA-N 1 0 408.524 0.326 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000540361718 1075643327 /nfs/dbraw/zinc/64/33/27/1075643327.db2.gz NWOWSKYCMDOBSF-CQSZACIVSA-N 1 0 408.524 0.326 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000540362725 1075643273 /nfs/dbraw/zinc/64/32/73/1075643273.db2.gz IZGFOKSDHNQNEM-GUTXKFCHSA-N 1 0 417.553 0.279 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000540362727 1075643318 /nfs/dbraw/zinc/64/33/18/1075643318.db2.gz IZGFOKSDHNQNEM-GZBFAFLISA-N 1 0 417.553 0.279 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000540362729 1075643337 /nfs/dbraw/zinc/64/33/37/1075643337.db2.gz IZGFOKSDHNQNEM-KCQAQPDRSA-N 1 0 417.553 0.279 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000540362732 1075643252 /nfs/dbraw/zinc/64/32/52/1075643252.db2.gz IZGFOKSDHNQNEM-YDHLFZDLSA-N 1 0 417.553 0.279 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000540363627 1075643799 /nfs/dbraw/zinc/64/37/99/1075643799.db2.gz SIPNWJUQHWZYHV-HNNXBMFYSA-N 1 0 412.556 0.472 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000540363628 1075643594 /nfs/dbraw/zinc/64/35/94/1075643594.db2.gz SIPNWJUQHWZYHV-OAHLLOKOSA-N 1 0 412.556 0.472 20 0 HCADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000540365076 1075644048 /nfs/dbraw/zinc/64/40/48/1075644048.db2.gz FJURKXFHIXEDJE-UHFFFAOYSA-N 1 0 417.470 0.142 20 0 HCADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCC(=O)N2CCCCC2)CC1 ZINC000540369296 1075636827 /nfs/dbraw/zinc/63/68/27/1075636827.db2.gz GZHBWYJWUBOCSJ-UHFFFAOYSA-N 1 0 404.515 0.997 20 0 HCADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCOC3(CCOCC3)C2)CC1 ZINC000540371471 1075639380 /nfs/dbraw/zinc/63/93/80/1075639380.db2.gz DMKIDNWEOWRPPG-UHFFFAOYSA-N 1 0 405.499 0.886 20 0 HCADRO CC[C@H](NC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1)C(=O)N1CCOCC1 ZINC000540372134 1075638639 /nfs/dbraw/zinc/63/86/39/1075638639.db2.gz GHAUZUJWKLLDBA-INIZCTEOSA-N 1 0 420.514 0.232 20 0 HCADRO CC[C@@H](NC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1)C(=O)N1CCOCC1 ZINC000540372137 1075638584 /nfs/dbraw/zinc/63/85/84/1075638584.db2.gz GHAUZUJWKLLDBA-MRXNPFEDSA-N 1 0 420.514 0.232 20 0 HCADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000540372141 1075638518 /nfs/dbraw/zinc/63/85/18/1075638518.db2.gz MMJKQDZVQKTXFL-FQEVSTJZSA-N 1 0 402.499 0.607 20 0 HCADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000540372142 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1 0 412.494 0.781 20 0 HCADRO C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cncn3)C2)c1)C1CC1 ZINC000540372725 1075639700 /nfs/dbraw/zinc/63/97/00/1075639700.db2.gz MDAJOSHLAAIGEX-LJQANCHMSA-N 1 0 412.494 0.781 20 0 HCADRO O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000540373060 1075639384 /nfs/dbraw/zinc/63/93/84/1075639384.db2.gz NRQZCXAUSQRHOZ-UHFFFAOYSA-N 1 0 417.445 0.311 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000540374107 1075640373 /nfs/dbraw/zinc/64/03/73/1075640373.db2.gz DEAUOOKJCGYSND-UHFFFAOYSA-N 1 0 405.434 0.045 20 0 HCADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000540374241 1075640124 /nfs/dbraw/zinc/64/01/24/1075640124.db2.gz PNHHOAUEVFWECT-UHFFFAOYSA-N 1 0 401.471 0.475 20 0 HCADRO CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)CC1 ZINC000540374539 1075640853 /nfs/dbraw/zinc/64/08/53/1075640853.db2.gz JCCOJGHHFITCMN-UHFFFAOYSA-N 1 0 421.498 0.395 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)[C@H](C)C1 ZINC000540375443 1075641359 /nfs/dbraw/zinc/64/13/59/1075641359.db2.gz ZCPJGQVDFDVCMA-CABCVRRESA-N 1 0 422.530 0.743 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)[C@@H](C)C1 ZINC000540375451 1075641297 /nfs/dbraw/zinc/64/12/97/1075641297.db2.gz ZCPJGQVDFDVCMA-GJZGRUSLSA-N 1 0 422.530 0.743 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)[C@H](C)C1 ZINC000540375455 1075641165 /nfs/dbraw/zinc/64/11/65/1075641165.db2.gz ZCPJGQVDFDVCMA-HUUCEWRRSA-N 1 0 422.530 0.743 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)[C@@H](C)C1 ZINC000540375459 1075641313 /nfs/dbraw/zinc/64/13/13/1075641313.db2.gz ZCPJGQVDFDVCMA-LSDHHAIUSA-N 1 0 422.530 0.743 20 0 HCADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000540376081 1075640859 /nfs/dbraw/zinc/64/08/59/1075640859.db2.gz OECRUNKIBNKJAD-CHWSQXEVSA-N 1 0 400.501 0.448 20 0 HCADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000540376082 1075640871 /nfs/dbraw/zinc/64/08/71/1075640871.db2.gz OECRUNKIBNKJAD-OLZOCXBDSA-N 1 0 400.501 0.448 20 0 HCADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000540376084 1075640847 /nfs/dbraw/zinc/64/08/47/1075640847.db2.gz OECRUNKIBNKJAD-QWHCGFSZSA-N 1 0 400.501 0.448 20 0 HCADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000540376085 1075640878 /nfs/dbraw/zinc/64/08/78/1075640878.db2.gz OECRUNKIBNKJAD-STQMWFEESA-N 1 0 400.501 0.448 20 0 HCADRO C[N@H+](CCc1cccc(NC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1)C1CC1 ZINC000540376206 1075641273 /nfs/dbraw/zinc/64/12/73/1075641273.db2.gz JSFYMYKKGWRNDS-INIZCTEOSA-N 1 0 422.551 0.660 20 0 HCADRO C[N@H+](CCc1cccc(NC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1)C1CC1 ZINC000540376207 1075641342 /nfs/dbraw/zinc/64/13/42/1075641342.db2.gz JSFYMYKKGWRNDS-MRXNPFEDSA-N 1 0 422.551 0.660 20 0 HCADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000540376371 1075641702 /nfs/dbraw/zinc/64/17/02/1075641702.db2.gz PTGOCJSAFVAOAU-UHFFFAOYSA-N 1 0 418.542 0.802 20 0 HCADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000540377315 1075641253 /nfs/dbraw/zinc/64/12/53/1075641253.db2.gz MANDWXNJIGXKKL-CYBMUJFWSA-N 1 0 415.541 0.300 20 0 HCADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000540377318 1075641284 /nfs/dbraw/zinc/64/12/84/1075641284.db2.gz MANDWXNJIGXKKL-ZDUSSCGKSA-N 1 0 415.541 0.300 20 0 HCADRO CC[C@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCCO2 ZINC000540377485 1075654269 /nfs/dbraw/zinc/65/42/69/1075654269.db2.gz WNRKNGVNEFWTKY-AAEUAGOBSA-N 1 0 402.451 0.750 20 0 HCADRO CC[C@@H]([NH2+][C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCCO2 ZINC000540377486 1075654200 /nfs/dbraw/zinc/65/42/00/1075654200.db2.gz WNRKNGVNEFWTKY-DGCLKSJQSA-N 1 0 402.451 0.750 20 0 HCADRO CC[C@@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCCO2 ZINC000540377487 1075654331 /nfs/dbraw/zinc/65/43/31/1075654331.db2.gz WNRKNGVNEFWTKY-WCQYABFASA-N 1 0 402.451 0.750 20 0 HCADRO CC[C@H]([NH2+][C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCCO2 ZINC000540377488 1075654237 /nfs/dbraw/zinc/65/42/37/1075654237.db2.gz WNRKNGVNEFWTKY-YPMHNXCESA-N 1 0 402.451 0.750 20 0 HCADRO C[N@H+](CCc1cccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1)C1CC1 ZINC000540377987 1075637896 /nfs/dbraw/zinc/63/78/96/1075637896.db2.gz DPRVJMWPVFKQDX-UHFFFAOYSA-N 1 0 408.524 0.414 20 0 HCADRO CC(=O)N1CCN(CCNC(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1 ZINC000540380074 1075655255 /nfs/dbraw/zinc/65/52/55/1075655255.db2.gz JTZGWLHDHSOUHI-UHFFFAOYSA-N 1 0 415.538 0.542 20 0 HCADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000540380670 1075656073 /nfs/dbraw/zinc/65/60/73/1075656073.db2.gz QQSNFDHPLPHWJP-KRWDZBQOSA-N 1 0 421.498 0.251 20 0 HCADRO 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CC[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000540380953 1075655731 /nfs/dbraw/zinc/65/57/31/1075655731.db2.gz YXPPHVOTXGMDKF-KRWDZBQOSA-N 1 0 404.511 0.731 20 0 HCADRO CC[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000540380956 1075656094 /nfs/dbraw/zinc/65/60/94/1075656094.db2.gz YXPPHVOTXGMDKF-QGZVFWFLSA-N 1 0 404.511 0.731 20 0 HCADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCCNC(=O)C2CCC2)CC1 ZINC000540381277 1075655689 /nfs/dbraw/zinc/65/56/89/1075655689.db2.gz RWNOIAZGGRGGRC-UHFFFAOYSA-N 1 0 404.515 0.901 20 0 HCADRO CN1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC1 ZINC000540382281 1075656508 /nfs/dbraw/zinc/65/65/08/1075656508.db2.gz ASZJVNJAKZZCBY-UHFFFAOYSA-N 1 0 415.538 0.542 20 0 HCADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000540382374 1075646905 /nfs/dbraw/zinc/64/69/05/1075646905.db2.gz CFJYAMBVIXZOBV-UHFFFAOYSA-N 1 0 416.482 0.747 20 0 HCADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000540382653 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0.902 20 0 HCADRO CC(C)[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)C(=O)N1CCOCC1 ZINC000540458188 1075679603 /nfs/dbraw/zinc/67/96/03/1075679603.db2.gz GQPIHANKLRRTAJ-IBGZPJMESA-N 1 0 408.543 0.320 20 0 HCADRO CC(C)[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)C(=O)N1CCOCC1 ZINC000540458189 1075679697 /nfs/dbraw/zinc/67/96/97/1075679697.db2.gz GQPIHANKLRRTAJ-LJQANCHMSA-N 1 0 408.543 0.320 20 0 HCADRO CC(C)[C@H]([NH2+]CC(=O)NCC1(N2CCOCC2)CCCCC1)C(=O)N1CCOCC1 ZINC000540458307 1075679223 /nfs/dbraw/zinc/67/92/23/1075679223.db2.gz NSMFIJKOOZVKCI-FQEVSTJZSA-N 1 0 424.586 0.611 20 0 HCADRO CC(C)[C@@H]([NH2+]CC(=O)NCC1(N2CCOCC2)CCCCC1)C(=O)N1CCOCC1 ZINC000540458308 1075679196 /nfs/dbraw/zinc/67/91/96/1075679196.db2.gz NSMFIJKOOZVKCI-HXUWFJFHSA-N 1 0 424.586 0.611 20 0 HCADRO CCCCN(C(=O)C[NH2+][C@H](C(=O)N1CCOCC1)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000540458812 1075674009 /nfs/dbraw/zinc/67/40/09/1075674009.db2.gz QITQCBIYXBABNM-AEFFLSMTSA-N 1 0 417.572 0.275 20 0 HCADRO CCCCN(C(=O)C[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000540458813 1075674100 /nfs/dbraw/zinc/67/41/00/1075674100.db2.gz QITQCBIYXBABNM-FUHWJXTLSA-N 1 0 417.572 0.275 20 0 HCADRO CCCCN(C(=O)C[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000540458814 1075674084 /nfs/dbraw/zinc/67/40/84/1075674084.db2.gz QITQCBIYXBABNM-SJLPKXTDSA-N 1 0 417.572 0.275 20 0 HCADRO CCCCN(C(=O)C[NH2+][C@H](C(=O)N1CCOCC1)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000540458816 1075673995 /nfs/dbraw/zinc/67/39/95/1075673995.db2.gz QITQCBIYXBABNM-WMZOPIPTSA-N 1 0 417.572 0.275 20 0 HCADRO CC(C)CN(C(=O)C[NH2+][C@H](C(=O)N1CCOCC1)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000540458912 1075674021 /nfs/dbraw/zinc/67/40/21/1075674021.db2.gz YNMDEUTXNYOXCU-AEFFLSMTSA-N 1 0 417.572 0.131 20 0 HCADRO CC(C)CN(C(=O)C[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000540458914 1075674093 /nfs/dbraw/zinc/67/40/93/1075674093.db2.gz YNMDEUTXNYOXCU-FUHWJXTLSA-N 1 0 417.572 0.131 20 0 HCADRO CC(C)CN(C(=O)C[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000540458916 1075673982 /nfs/dbraw/zinc/67/39/82/1075673982.db2.gz YNMDEUTXNYOXCU-SJLPKXTDSA-N 1 0 417.572 0.131 20 0 HCADRO CC(C)CN(C(=O)C[NH2+][C@H](C(=O)N1CCOCC1)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000540458918 1075674014 /nfs/dbraw/zinc/67/40/14/1075674014.db2.gz YNMDEUTXNYOXCU-WMZOPIPTSA-N 1 0 417.572 0.131 20 0 HCADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C(=O)N1CCOCC1)C(C)C ZINC000540458931 1075674048 /nfs/dbraw/zinc/67/40/48/1075674048.db2.gz YUGMXWBDHUIYRW-KRWDZBQOSA-N 1 0 412.512 0.054 20 0 HCADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C ZINC000540458935 1075674110 /nfs/dbraw/zinc/67/41/10/1075674110.db2.gz YUGMXWBDHUIYRW-QGZVFWFLSA-N 1 0 412.512 0.054 20 0 HCADRO COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@H](C(=O)N1CCOCC1)C(C)C ZINC000540459802 1075674463 /nfs/dbraw/zinc/67/44/63/1075674463.db2.gz QJZFIAGDWNMKCD-FQEVSTJZSA-N 1 0 420.510 0.377 20 0 HCADRO COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C ZINC000540459804 1075674494 /nfs/dbraw/zinc/67/44/94/1075674494.db2.gz QJZFIAGDWNMKCD-HXUWFJFHSA-N 1 0 420.510 0.377 20 0 HCADRO COc1cc(CNC(=O)C[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)cc(OC)c1OC ZINC000540459866 1075674465 /nfs/dbraw/zinc/67/44/65/1075674465.db2.gz SLNAUCFMFVJUNC-IBGZPJMESA-N 1 0 423.510 0.802 20 0 HCADRO COc1cc(CNC(=O)C[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)cc(OC)c1OC ZINC000540459867 1075674474 /nfs/dbraw/zinc/67/44/74/1075674474.db2.gz SLNAUCFMFVJUNC-LJQANCHMSA-N 1 0 423.510 0.802 20 0 HCADRO CC(C)[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N1CCOCC1 ZINC000540460038 1075674489 /nfs/dbraw/zinc/67/44/89/1075674489.db2.gz AXOOHPDRAVITBX-GOSISDBHSA-N 1 0 413.540 0.789 20 0 HCADRO CC(C)[C@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N1CCOCC1 ZINC000540460039 1075674459 /nfs/dbraw/zinc/67/44/59/1075674459.db2.gz AXOOHPDRAVITBX-SFHVURJKSA-N 1 0 413.540 0.789 20 0 HCADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ncccn2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000540463554 1075676090 /nfs/dbraw/zinc/67/60/90/1075676090.db2.gz CYYKGFPNTHHPGT-CABCVRRESA-N 1 0 418.523 0.512 20 0 HCADRO C[C@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000540463555 1075675962 /nfs/dbraw/zinc/67/59/62/1075675962.db2.gz CYYKGFPNTHHPGT-GJZGRUSLSA-N 1 0 418.523 0.512 20 0 HCADRO C[C@@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000540463556 1075676034 /nfs/dbraw/zinc/67/60/34/1075676034.db2.gz CYYKGFPNTHHPGT-HUUCEWRRSA-N 1 0 418.523 0.512 20 0 HCADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000540463557 1075676098 /nfs/dbraw/zinc/67/60/98/1075676098.db2.gz CYYKGFPNTHHPGT-LSDHHAIUSA-N 1 0 418.523 0.512 20 0 HCADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000540464894 1075676403 /nfs/dbraw/zinc/67/64/03/1075676403.db2.gz VYXHMWWEZKNEBC-UHFFFAOYSA-N 1 0 419.569 0.002 20 0 HCADRO Cn1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1C(N)=O ZINC000540465337 1075676051 /nfs/dbraw/zinc/67/60/51/1075676051.db2.gz KOBLRJGMAZEDCA-UHFFFAOYSA-N 1 0 406.508 0.559 20 0 HCADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)CN3CC(=O)NC3=O)cc2)C[C@@H]1C ZINC000540470634 1075686539 /nfs/dbraw/zinc/68/65/39/1075686539.db2.gz MLEWJKITTZWDRE-HOTGVXAUSA-N 1 0 402.495 0.864 20 0 HCADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)CN3CC(=O)NC3=O)cc2)C[C@H]1C ZINC000540470635 1075686603 /nfs/dbraw/zinc/68/66/03/1075686603.db2.gz MLEWJKITTZWDRE-HZPDHXFCSA-N 1 0 402.495 0.864 20 0 HCADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)CN3CC(=O)NC3=O)cc2)C[C@H]1C ZINC000540470637 1075686559 /nfs/dbraw/zinc/68/65/59/1075686559.db2.gz MLEWJKITTZWDRE-IYBDPMFKSA-N 1 0 402.495 0.864 20 0 HCADRO CN(CC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000540471818 1075686757 /nfs/dbraw/zinc/68/67/57/1075686757.db2.gz OPYSMVXTWZNIMK-IBGZPJMESA-N 1 0 423.579 0.939 20 0 HCADRO CN(CC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 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1075731891 /nfs/dbraw/zinc/73/18/91/1075731891.db2.gz ZVRQIAVWBORCSF-UHFFFAOYSA-N 1 0 420.539 0.167 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 ZINC000540601073 1075731759 /nfs/dbraw/zinc/73/17/59/1075731759.db2.gz PWYDZJXYWVHUPL-UHFFFAOYSA-N 1 0 422.511 0.241 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccc3c(c2)nnn3C)c1 ZINC000540602269 1075732140 /nfs/dbraw/zinc/73/21/40/1075732140.db2.gz IGICYSGWPBPQBB-GFCCVEGCSA-N 1 0 402.480 0.993 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccc3c(c2)nnn3C)c1 ZINC000540602271 1075732287 /nfs/dbraw/zinc/73/22/87/1075732287.db2.gz IGICYSGWPBPQBB-LBPRGKRZSA-N 1 0 402.480 0.993 20 0 HCADRO CCOC(=O)C1CCC([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000540606405 1075734918 /nfs/dbraw/zinc/73/49/18/1075734918.db2.gz ISEXTXKNHIDNST-UHFFFAOYSA-N 1 0 403.545 0.739 20 0 HCADRO Cc1nn2c(C[NH2+]C3CCN(S(=O)(=O)N4CCOCC4)CC3)c(C)nc2s1 ZINC000540607937 1075735378 /nfs/dbraw/zinc/73/53/78/1075735378.db2.gz 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C[NH+]1CCN(C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cn2)c2ccccc2)CC1 ZINC000540614046 1075738495 /nfs/dbraw/zinc/73/84/95/1075738495.db2.gz ZITRYIBEDRXMAR-GOSISDBHSA-N 1 0 403.508 0.448 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)c2ccc(S(N)(=O)=O)cn2)c2ccccc2)CC1 ZINC000540614047 1075738605 /nfs/dbraw/zinc/73/86/05/1075738605.db2.gz ZITRYIBEDRXMAR-SFHVURJKSA-N 1 0 403.508 0.448 20 0 HCADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000540614106 1075738558 /nfs/dbraw/zinc/73/85/58/1075738558.db2.gz DDDQCXZOFFGQNW-UHFFFAOYSA-N 1 0 401.439 0.399 20 0 HCADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(S(N)(=O)=O)nc2)CC1 ZINC000540617022 1075739398 /nfs/dbraw/zinc/73/93/98/1075739398.db2.gz VAWVYCFKAABZON-UHFFFAOYSA-N 1 0 417.491 0.759 20 0 HCADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000540619847 1075741215 /nfs/dbraw/zinc/74/12/15/1075741215.db2.gz RVWFXNQRQRIIEX-SFHVURJKSA-N 1 0 418.519 0.353 20 0 HCADRO Cn1cc(C[NH2+]CCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)c(=O)n(C)c1=O ZINC000540620951 1075741952 /nfs/dbraw/zinc/74/19/52/1075741952.db2.gz JBLVFIHAXOIJRV-UHFFFAOYSA-N 1 0 424.498 0.556 20 0 HCADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000540620979 1075741879 /nfs/dbraw/zinc/74/18/79/1075741879.db2.gz VTQUVIVPNPWFQJ-INIZCTEOSA-N 1 0 412.556 0.055 20 0 HCADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000540620981 1075741961 /nfs/dbraw/zinc/74/19/61/1075741961.db2.gz VTQUVIVPNPWFQJ-MRXNPFEDSA-N 1 0 412.556 0.055 20 0 HCADRO Cn1cc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)c(=O)n(C)c1=O ZINC000540621604 1075742453 /nfs/dbraw/zinc/74/24/53/1075742453.db2.gz AITPGCKUXXVHLQ-UHFFFAOYSA-N 1 0 406.508 0.299 20 0 HCADRO COc1cccc([C@H]2[C@@H](NC(=O)Cn3cc(S(N)(=O)=O)cn3)CC[N@@H+]2C2CC2)c1 ZINC000540622963 1075748475 /nfs/dbraw/zinc/74/84/75/1075748475.db2.gz FPHNRWWVCUJVCB-HKUYNNGSSA-N 1 0 419.507 0.633 20 0 HCADRO COc1cccc([C@@H]2[C@H](NC(=O)Cn3cc(S(N)(=O)=O)cn3)CC[N@@H+]2C2CC2)c1 ZINC000540622964 1075748506 /nfs/dbraw/zinc/74/85/06/1075748506.db2.gz FPHNRWWVCUJVCB-IEBWSBKVSA-N 1 0 419.507 0.633 20 0 HCADRO COc1cccc([C@H]2[C@H](NC(=O)Cn3cc(S(N)(=O)=O)cn3)CC[N@@H+]2C2CC2)c1 ZINC000540622965 1075748392 /nfs/dbraw/zinc/74/83/92/1075748392.db2.gz FPHNRWWVCUJVCB-MJGOQNOKSA-N 1 0 419.507 0.633 20 0 HCADRO COc1cccc([C@@H]2[C@@H](NC(=O)Cn3cc(S(N)(=O)=O)cn3)CC[N@@H+]2C2CC2)c1 ZINC000540622966 1075748304 /nfs/dbraw/zinc/74/83/04/1075748304.db2.gz FPHNRWWVCUJVCB-PKOBYXMFSA-N 1 0 419.507 0.633 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000540623127 1075748288 /nfs/dbraw/zinc/74/82/88/1075748288.db2.gz HUDUDMVMFICPDZ-UHFFFAOYSA-N 1 0 413.540 0.218 20 0 HCADRO Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000540623234 1075748414 /nfs/dbraw/zinc/74/84/14/1075748414.db2.gz NNMSICKFEOPTHS-DOTOQJQBSA-N 1 0 407.492 0.848 20 0 HCADRO Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000540623235 1075748489 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LPWKOPRCGMWIII-INIZCTEOSA-N 1 0 411.524 0.094 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000540627871 1075744276 /nfs/dbraw/zinc/74/42/76/1075744276.db2.gz LPWKOPRCGMWIII-MRXNPFEDSA-N 1 0 411.524 0.094 20 0 HCADRO NS(=O)(=O)c1cnn(CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000540628314 1075743998 /nfs/dbraw/zinc/74/39/98/1075743998.db2.gz YIFJIDZAERJOSL-UHFFFAOYSA-N 1 0 407.496 0.374 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000540629014 1075745153 /nfs/dbraw/zinc/74/51/53/1075745153.db2.gz RDCNGTCYQSDHIO-UHFFFAOYSA-N 1 0 412.556 0.009 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000540629675 1075745540 /nfs/dbraw/zinc/74/55/40/1075745540.db2.gz MWUZHJXAWCPLLU-LLVKDONJSA-N 1 0 406.302 0.547 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000540629676 1075745494 /nfs/dbraw/zinc/74/54/94/1075745494.db2.gz MWUZHJXAWCPLLU-NSHDSACASA-N 1 0 406.302 0.547 20 0 HCADRO NS(=O)(=O)c1cnn(CC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000540630021 1075745315 /nfs/dbraw/zinc/74/53/15/1075745315.db2.gz YEVOKXBXZDSDBI-UHFFFAOYSA-N 1 0 407.496 0.322 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCC(=O)N2CCOCC2)CC1 ZINC000540653132 1075749118 /nfs/dbraw/zinc/74/91/18/1075749118.db2.gz IEHUFEOUZOWYAI-UHFFFAOYSA-N 1 0 403.527 0.482 20 0 HCADRO C[C@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCN1S(C)(=O)=O ZINC000540653817 1075749860 /nfs/dbraw/zinc/74/98/60/1075749860.db2.gz VSYHGINBHXBTGT-INIZCTEOSA-N 1 0 412.556 0.845 20 0 HCADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000540654019 1075749784 /nfs/dbraw/zinc/74/97/84/1075749784.db2.gz VLLSWTFRNUTSQO-HNNXBMFYSA-N 1 0 413.540 0.217 20 0 HCADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000540654020 1075749951 /nfs/dbraw/zinc/74/99/51/1075749951.db2.gz VLLSWTFRNUTSQO-OAHLLOKOSA-N 1 0 413.540 0.217 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[C@H](C)C1 ZINC000540654650 1075750711 /nfs/dbraw/zinc/75/07/11/1075750711.db2.gz NIPJLOSKFXTARJ-IKGGRYGDSA-N 1 0 404.577 0.799 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[C@H](C)C1 ZINC000540654652 1075750636 /nfs/dbraw/zinc/75/06/36/1075750636.db2.gz NIPJLOSKFXTARJ-IXDOHACOSA-N 1 0 404.577 0.799 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[C@@H](C)C1 ZINC000540654654 1075750713 /nfs/dbraw/zinc/75/07/13/1075750713.db2.gz NIPJLOSKFXTARJ-ULQDDVLXSA-N 1 0 404.577 0.799 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[C@@H](C)C1 ZINC000540654655 1075750671 /nfs/dbraw/zinc/75/06/71/1075750671.db2.gz NIPJLOSKFXTARJ-YESZJQIVSA-N 1 0 404.577 0.799 20 0 HCADRO C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCN1S(C)(=O)=O ZINC000540655170 1075750193 /nfs/dbraw/zinc/75/01/93/1075750193.db2.gz JGVZILVQOQVHRF-SFHVURJKSA-N 1 0 423.583 0.874 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)NCC(=O)N2CCOCC2)[C@H](c2ccccc2)C1 ZINC000540665394 1075756471 /nfs/dbraw/zinc/75/64/71/1075756471.db2.gz PMADKCATWJJCRR-IBGZPJMESA-N 1 0 403.527 0.523 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)NCC(=O)N2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000540665395 1075756310 /nfs/dbraw/zinc/75/63/10/1075756310.db2.gz PMADKCATWJJCRR-LJQANCHMSA-N 1 0 403.527 0.523 20 0 HCADRO C[C@H](NC(=O)NCC(=O)N1CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000540667774 1075757432 /nfs/dbraw/zinc/75/74/32/1075757432.db2.gz NDPPNYUMNBKNMD-HNNXBMFYSA-N 1 0 407.490 0.797 20 0 HCADRO C[C@@H](NC(=O)NCC(=O)N1CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000540667789 1075757100 /nfs/dbraw/zinc/75/71/00/1075757100.db2.gz NDPPNYUMNBKNMD-OAHLLOKOSA-N 1 0 407.490 0.797 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC1 ZINC000540670765 1075754431 /nfs/dbraw/zinc/75/44/31/1075754431.db2.gz COYPEQUGJVVVMZ-HNNXBMFYSA-N 1 0 419.448 0.651 20 0 HCADRO C[C@H]1CN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCN1S(C)(=O)=O ZINC000540676295 1075762231 /nfs/dbraw/zinc/76/22/31/1075762231.db2.gz 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O=C(CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)N1CCOCC1 ZINC000540685155 1075760445 /nfs/dbraw/zinc/76/04/45/1075760445.db2.gz SAPIBSKYZNHUPW-UHFFFAOYSA-N 1 0 406.508 0.149 20 0 HCADRO O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC000540685525 1075760414 /nfs/dbraw/zinc/76/04/14/1075760414.db2.gz WIDOWVNUTJYRHC-UHFFFAOYSA-N 1 0 404.389 0.924 20 0 HCADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC000540685882 1075760843 /nfs/dbraw/zinc/76/08/43/1075760843.db2.gz SLVRLRWJOVGPOF-UHFFFAOYSA-N 1 0 406.483 0.321 20 0 HCADRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)c2)CC1 ZINC000540686084 1075760743 /nfs/dbraw/zinc/76/07/43/1075760743.db2.gz XBRAGHYBBDUQEM-UHFFFAOYSA-N 1 0 416.522 0.875 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC000540686393 1075760697 /nfs/dbraw/zinc/76/06/97/1075760697.db2.gz JQTNNNXTCMDLIL-GFCCVEGCSA-N 1 0 403.405 0.713 20 0 HCADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC000540686394 1075760764 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Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000540920238 1075805120 /nfs/dbraw/zinc/80/51/20/1075805120.db2.gz SNJRROOVQLRIQG-NVXWUHKLSA-N 1 0 406.508 0.285 20 0 HCADRO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000540920239 1075805171 /nfs/dbraw/zinc/80/51/71/1075805171.db2.gz SNJRROOVQLRIQG-RDJZCZTQSA-N 1 0 406.508 0.285 20 0 HCADRO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000540920240 1075805204 /nfs/dbraw/zinc/80/52/04/1075805204.db2.gz SNJRROOVQLRIQG-WBVHZDCISA-N 1 0 406.508 0.285 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)NCc1cccnc1-n1cccn1 ZINC000540920311 1075805184 /nfs/dbraw/zinc/80/51/84/1075805184.db2.gz NOQHXXDSKPRART-UHFFFAOYSA-N 1 0 401.515 0.457 20 0 HCADRO NC(=O)c1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000540921582 1075805369 /nfs/dbraw/zinc/80/53/69/1075805369.db2.gz FFBKQKYWJNVKTG-UHFFFAOYSA-N 1 0 403.464 0.683 20 0 HCADRO CN(CCC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)c1cc[nH+]cc1 ZINC000540927204 1075804656 /nfs/dbraw/zinc/80/46/56/1075804656.db2.gz IMQAIIGOZLQCFW-UHFFFAOYSA-N 1 0 403.508 0.904 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)CCN(C)c3cc[nH+]cc3)CC2)cn1C ZINC000540927719 1075804641 /nfs/dbraw/zinc/80/46/41/1075804641.db2.gz PLKRDMQQYZUISS-UHFFFAOYSA-N 1 0 406.512 0.483 20 0 HCADRO CN(CCC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1cc[nH+]cc1 ZINC000540927877 1075804648 /nfs/dbraw/zinc/80/46/48/1075804648.db2.gz KXDNOWMBSXOSNI-UHFFFAOYSA-N 1 0 411.510 0.883 20 0 HCADRO CN(CCC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1cc[nH+]cc1 ZINC000540928325 1075804773 /nfs/dbraw/zinc/80/47/73/1075804773.db2.gz TXIFMKHCTUKFRH-UHFFFAOYSA-N 1 0 410.540 0.997 20 0 HCADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000540931520 1075805503 /nfs/dbraw/zinc/80/55/03/1075805503.db2.gz DWZAREYSLVTHRM-HKUYNNGSSA-N 1 0 408.568 0.847 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000540931521 1075805576 /nfs/dbraw/zinc/80/55/76/1075805576.db2.gz DWZAREYSLVTHRM-IEBWSBKVSA-N 1 0 408.568 0.847 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000540931522 1075805605 /nfs/dbraw/zinc/80/56/05/1075805605.db2.gz DWZAREYSLVTHRM-MJGOQNOKSA-N 1 0 408.568 0.847 20 0 HCADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000540931523 1075805545 /nfs/dbraw/zinc/80/55/45/1075805545.db2.gz DWZAREYSLVTHRM-PKOBYXMFSA-N 1 0 408.568 0.847 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000540932116 1075805796 /nfs/dbraw/zinc/80/57/96/1075805796.db2.gz SYAVGATYLPCOHO-GOSISDBHSA-N 1 0 422.551 0.327 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000540932117 1075805766 /nfs/dbraw/zinc/80/57/66/1075805766.db2.gz SYAVGATYLPCOHO-SFHVURJKSA-N 1 0 422.551 0.327 20 0 HCADRO C[C@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000540973382 1075815497 /nfs/dbraw/zinc/81/54/97/1075815497.db2.gz GOFULGJAUOTDPP-KBPBESRZSA-N 1 0 401.511 0.959 20 0 HCADRO C[C@@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000540973383 1075815523 /nfs/dbraw/zinc/81/55/23/1075815523.db2.gz GOFULGJAUOTDPP-KGLIPLIRSA-N 1 0 401.511 0.959 20 0 HCADRO C[C@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000540973384 1075815552 /nfs/dbraw/zinc/81/55/52/1075815552.db2.gz GOFULGJAUOTDPP-UONOGXRCSA-N 1 0 401.511 0.959 20 0 HCADRO C[C@@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000540973385 1075815488 /nfs/dbraw/zinc/81/54/88/1075815488.db2.gz GOFULGJAUOTDPP-ZIAGYGMSSA-N 1 0 401.511 0.959 20 0 HCADRO COC(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000540973489 1075815502 /nfs/dbraw/zinc/81/55/02/1075815502.db2.gz FZIDZGOUQGGNJX-KRWDZBQOSA-N 1 0 408.474 0.939 20 0 HCADRO COC(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000540973491 1075815541 /nfs/dbraw/zinc/81/55/41/1075815541.db2.gz FZIDZGOUQGGNJX-QGZVFWFLSA-N 1 0 408.474 0.939 20 0 HCADRO COC(=O)c1cc(F)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000540974195 1075815969 /nfs/dbraw/zinc/81/59/69/1075815969.db2.gz UXJFULWSJSQARQ-INIZCTEOSA-N 1 0 422.457 0.610 20 0 HCADRO COC(=O)c1cc(F)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000540974201 1075815957 /nfs/dbraw/zinc/81/59/57/1075815957.db2.gz UXJFULWSJSQARQ-MRXNPFEDSA-N 1 0 422.457 0.610 20 0 HCADRO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000540977792 1075816669 /nfs/dbraw/zinc/81/66/69/1075816669.db2.gz YGPFOKYHAOFHFM-AWEZNQCLSA-N 1 0 406.483 0.705 20 0 HCADRO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000540977793 1075816717 /nfs/dbraw/zinc/81/67/17/1075816717.db2.gz YGPFOKYHAOFHFM-CQSZACIVSA-N 1 0 406.483 0.705 20 0 HCADRO COC(=O)c1cc(F)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000540985227 1075819552 /nfs/dbraw/zinc/81/95/52/1075819552.db2.gz SVNLNWCMQKTSJE-GFCCVEGCSA-N 1 0 408.430 0.254 20 0 HCADRO COC(=O)c1cc(F)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000540985229 1075819540 /nfs/dbraw/zinc/81/95/40/1075819540.db2.gz SVNLNWCMQKTSJE-LBPRGKRZSA-N 1 0 408.430 0.254 20 0 HCADRO COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000540985969 1075819765 /nfs/dbraw/zinc/81/97/65/1075819765.db2.gz DRCCXYKTSHBJCA-GFCCVEGCSA-N 1 0 423.466 0.896 20 0 HCADRO COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000540985977 1075819736 /nfs/dbraw/zinc/81/97/36/1075819736.db2.gz DRCCXYKTSHBJCA-LBPRGKRZSA-N 1 0 423.466 0.896 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1C ZINC000540986377 1075819788 /nfs/dbraw/zinc/81/97/88/1075819788.db2.gz PDMAIJYRWDXWHY-INIZCTEOSA-N 1 0 407.492 0.857 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cn1C ZINC000540986378 1075820071 /nfs/dbraw/zinc/82/00/71/1075820071.db2.gz PDMAIJYRWDXWHY-MRXNPFEDSA-N 1 0 407.492 0.857 20 0 HCADRO COC(=O)Cn1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1 ZINC000540987409 1075820047 /nfs/dbraw/zinc/82/00/47/1075820047.db2.gz PJQRDSODJFWHAQ-INIZCTEOSA-N 1 0 408.480 0.101 20 0 HCADRO COC(=O)Cn1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000540987410 1075820062 /nfs/dbraw/zinc/82/00/62/1075820062.db2.gz PJQRDSODJFWHAQ-MRXNPFEDSA-N 1 0 408.480 0.101 20 0 HCADRO COC(=O)Cn1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000540987451 1075820316 /nfs/dbraw/zinc/82/03/16/1075820316.db2.gz YXEOYKSGRPSFBA-UHFFFAOYSA-N 1 0 422.507 0.491 20 0 HCADRO COC(=O)C1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCOCC1 ZINC000540987612 1075820024 /nfs/dbraw/zinc/82/00/24/1075820024.db2.gz UPDLOCAYDFCUJD-UHFFFAOYSA-N 1 0 405.499 0.602 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000540987912 1075820300 /nfs/dbraw/zinc/82/03/00/1075820300.db2.gz BZZZWLDPHNAYIA-GOSISDBHSA-N 1 0 412.556 0.724 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000540987913 1075820339 /nfs/dbraw/zinc/82/03/39/1075820339.db2.gz BZZZWLDPHNAYIA-SFHVURJKSA-N 1 0 412.556 0.724 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCO[C@H](C(=O)NC)C2)CC1 ZINC000540989569 1075820483 /nfs/dbraw/zinc/82/04/83/1075820483.db2.gz WWNZWUFFEIYPCU-IBGZPJMESA-N 1 0 403.527 0.481 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC000540989570 1075820470 /nfs/dbraw/zinc/82/04/70/1075820470.db2.gz WWNZWUFFEIYPCU-LJQANCHMSA-N 1 0 403.527 0.481 20 0 HCADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(-n2cnnn2)c1 ZINC000540990728 1075820941 /nfs/dbraw/zinc/82/09/41/1075820941.db2.gz VLZPSEIGLROOQN-GOSISDBHSA-N 1 0 414.491 0.707 20 0 HCADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(-n2cnnn2)c1 ZINC000540990729 1075820982 /nfs/dbraw/zinc/82/09/82/1075820982.db2.gz VLZPSEIGLROOQN-SFHVURJKSA-N 1 0 414.491 0.707 20 0 HCADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cnn([C@@H]2CCOC2)c1 ZINC000540991249 1075821445 /nfs/dbraw/zinc/82/14/45/1075821445.db2.gz ACSUFDOFJXAKDQ-MSOLQXFVSA-N 1 0 406.508 0.890 20 0 HCADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cnn([C@@H]2CCOC2)c1 ZINC000540991254 1075821459 /nfs/dbraw/zinc/82/14/59/1075821459.db2.gz ACSUFDOFJXAKDQ-QZTJIDSGSA-N 1 0 406.508 0.890 20 0 HCADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cnn([C@H]2CCOC2)c1 ZINC000540991256 1075821373 /nfs/dbraw/zinc/82/13/73/1075821373.db2.gz ACSUFDOFJXAKDQ-ROUUACIJSA-N 1 0 406.508 0.890 20 0 HCADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cnn([C@H]2CCOC2)c1 ZINC000540991258 1075821408 /nfs/dbraw/zinc/82/14/08/1075821408.db2.gz ACSUFDOFJXAKDQ-ZWKOTPCHSA-N 1 0 406.508 0.890 20 0 HCADRO Cc1noc(CN2CCN(C(=O)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000540991422 1075821193 /nfs/dbraw/zinc/82/11/93/1075821193.db2.gz HZWUAJFDHZJAGH-IBGZPJMESA-N 1 0 414.510 0.972 20 0 HCADRO Cc1noc(CN2CCN(C(=O)NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000540991427 1075821384 /nfs/dbraw/zinc/82/13/84/1075821384.db2.gz HZWUAJFDHZJAGH-LJQANCHMSA-N 1 0 414.510 0.972 20 0 HCADRO COC(=O)C1(CNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCOCC1 ZINC000540991881 1075821163 /nfs/dbraw/zinc/82/11/63/1075821163.db2.gz OGIKMDBHTZFCKV-UHFFFAOYSA-N 1 0 420.510 0.747 20 0 HCADRO NS(=O)(=O)c1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000540992001 1075821457 /nfs/dbraw/zinc/82/14/57/1075821457.db2.gz TWHHCEHEXZUPOH-GOSISDBHSA-N 1 0 418.519 0.900 20 0 HCADRO NS(=O)(=O)c1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000540992005 1075821438 /nfs/dbraw/zinc/82/14/38/1075821438.db2.gz TWHHCEHEXZUPOH-SFHVURJKSA-N 1 0 418.519 0.900 20 0 HCADRO COC(=O)[C@@H](O)C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000540992199 1075821593 /nfs/dbraw/zinc/82/15/93/1075821593.db2.gz BEFYXGRNSMOESR-MOPGFXCFSA-N 1 0 405.495 0.709 20 0 HCADRO COC(=O)[C@@H](O)C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000540992200 1075821625 /nfs/dbraw/zinc/82/16/25/1075821625.db2.gz BEFYXGRNSMOESR-OALUTQOASA-N 1 0 405.495 0.709 20 0 HCADRO COC(=O)[C@H](O)C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000540992201 1075821587 /nfs/dbraw/zinc/82/15/87/1075821587.db2.gz BEFYXGRNSMOESR-RBUKOAKNSA-N 1 0 405.495 0.709 20 0 HCADRO COC(=O)[C@H](O)C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000540992202 1075821559 /nfs/dbraw/zinc/82/15/59/1075821559.db2.gz BEFYXGRNSMOESR-RTBURBONSA-N 1 0 405.495 0.709 20 0 HCADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000540992611 1075821631 /nfs/dbraw/zinc/82/16/31/1075821631.db2.gz XDKWAJSVGLEWGG-MSOLQXFVSA-N 1 0 411.524 0.615 20 0 HCADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000540992612 1075821604 /nfs/dbraw/zinc/82/16/04/1075821604.db2.gz XDKWAJSVGLEWGG-QZTJIDSGSA-N 1 0 411.524 0.615 20 0 HCADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000540992613 1075821545 /nfs/dbraw/zinc/82/15/45/1075821545.db2.gz XDKWAJSVGLEWGG-ROUUACIJSA-N 1 0 411.524 0.615 20 0 HCADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000540992614 1075821521 /nfs/dbraw/zinc/82/15/21/1075821521.db2.gz XDKWAJSVGLEWGG-ZWKOTPCHSA-N 1 0 411.524 0.615 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000540992780 1075821454 /nfs/dbraw/zinc/82/14/54/1075821454.db2.gz CATFZVVBFXVDJY-MSOLQXFVSA-N 1 0 414.510 0.805 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000540992782 1075821391 /nfs/dbraw/zinc/82/13/91/1075821391.db2.gz CATFZVVBFXVDJY-QZTJIDSGSA-N 1 0 414.510 0.805 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000540992783 1075821427 /nfs/dbraw/zinc/82/14/27/1075821427.db2.gz CATFZVVBFXVDJY-ROUUACIJSA-N 1 0 414.510 0.805 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000540992784 1075821442 /nfs/dbraw/zinc/82/14/42/1075821442.db2.gz CATFZVVBFXVDJY-ZWKOTPCHSA-N 1 0 414.510 0.805 20 0 HCADRO 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ZINC000541047701 1075837706 /nfs/dbraw/zinc/83/77/06/1075837706.db2.gz QVYXFEZQVYXVLO-CQSZACIVSA-N 1 0 417.963 0.553 20 0 HCADRO CC(C)OCCS(=O)(=O)NCC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000541050206 1075838282 /nfs/dbraw/zinc/83/82/82/1075838282.db2.gz GITKVSUFXHYBFK-GOSISDBHSA-N 1 0 413.540 0.214 20 0 HCADRO CC(C)OCCS(=O)(=O)NCC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000541050207 1075838485 /nfs/dbraw/zinc/83/84/85/1075838485.db2.gz GITKVSUFXHYBFK-SFHVURJKSA-N 1 0 413.540 0.214 20 0 HCADRO CN(CC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)S(=O)(=O)c1cccnc1 ZINC000541050588 1075838343 /nfs/dbraw/zinc/83/83/43/1075838343.db2.gz RLHUVHDGTNIZDO-GOSISDBHSA-N 1 0 418.519 0.585 20 0 HCADRO CN(CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)S(=O)(=O)c1cccnc1 ZINC000541050589 1075838309 /nfs/dbraw/zinc/83/83/09/1075838309.db2.gz RLHUVHDGTNIZDO-SFHVURJKSA-N 1 0 418.519 0.585 20 0 HCADRO NS(=O)(=O)Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000541051589 1075838579 /nfs/dbraw/zinc/83/85/79/1075838579.db2.gz QSIICYMMPWUIHW-IBGZPJMESA-N 1 0 403.504 0.972 20 0 HCADRO NS(=O)(=O)Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000541051591 1075838548 /nfs/dbraw/zinc/83/85/48/1075838548.db2.gz QSIICYMMPWUIHW-LJQANCHMSA-N 1 0 403.504 0.972 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n(C)c1 ZINC000541051952 1075838540 /nfs/dbraw/zinc/83/85/40/1075838540.db2.gz WMFXNYDRVNAZLC-KRWDZBQOSA-N 1 0 420.535 0.772 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n(C)c1 ZINC000541051955 1075838508 /nfs/dbraw/zinc/83/85/08/1075838508.db2.gz WMFXNYDRVNAZLC-QGZVFWFLSA-N 1 0 420.535 0.772 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(F)c1 ZINC000541054181 1075835574 /nfs/dbraw/zinc/83/55/74/1075835574.db2.gz MXGYJFWWNQOGJW-HNNXBMFYSA-N 1 0 407.467 0.970 20 0 HCADRO NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000541054182 1075835598 /nfs/dbraw/zinc/83/55/98/1075835598.db2.gz MXGYJFWWNQOGJW-OAHLLOKOSA-N 1 0 407.467 0.970 20 0 HCADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+][C@@H](CO)C2CCCCC2)CC1 ZINC000541055939 1075835724 /nfs/dbraw/zinc/83/57/24/1075835724.db2.gz XEIFGFPVGPNNMP-KRWDZBQOSA-N 1 0 401.515 0.543 20 0 HCADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+][C@H](CO)C2CCCCC2)CC1 ZINC000541055940 1075835786 /nfs/dbraw/zinc/83/57/86/1075835786.db2.gz XEIFGFPVGPNNMP-QGZVFWFLSA-N 1 0 401.515 0.543 20 0 HCADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)cnc21 ZINC000541056434 1075836002 /nfs/dbraw/zinc/83/60/02/1075836002.db2.gz YPNSRRITLLFFHW-INIZCTEOSA-N 1 0 409.446 0.531 20 0 HCADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cnc21 ZINC000541056435 1075835948 /nfs/dbraw/zinc/83/59/48/1075835948.db2.gz YPNSRRITLLFFHW-MRXNPFEDSA-N 1 0 409.446 0.531 20 0 HCADRO CNC(=O)[C@@H]1CN(CC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC000541061261 1075836957 /nfs/dbraw/zinc/83/69/57/1075836957.db2.gz ZZJCTXRPUGXWRQ-IBGZPJMESA-N 1 0 404.511 0.176 20 0 HCADRO CNC(=O)[C@H]1CN(CC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC000541061262 1075836937 /nfs/dbraw/zinc/83/69/37/1075836937.db2.gz ZZJCTXRPUGXWRQ-LJQANCHMSA-N 1 0 404.511 0.176 20 0 HCADRO c1c[nH]c(CN2CCN(CC3(C[NH+]4CCN(Cc5ncc[nH]5)CC4)COC3)CC2)n1 ZINC000541070860 1075838962 /nfs/dbraw/zinc/83/89/62/1075838962.db2.gz XYNMDECBKGJJKB-UHFFFAOYSA-N 1 0 414.558 0.085 20 0 HCADRO CCN(C(=O)C[NH2+][C@H](CO)C(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000541081579 1075840446 /nfs/dbraw/zinc/84/04/46/1075840446.db2.gz ZFUAJQORNRTVSN-OAHLLOKOSA-N 1 0 403.483 0.539 20 0 HCADRO C[NH+](C)CCCN(C(=O)CSc1nnc2ccccn21)[C@H]1CCS(=O)(=O)C1 ZINC000541095876 1075842868 /nfs/dbraw/zinc/84/28/68/1075842868.db2.gz ZBIWDEFIOAWUOW-AWEZNQCLSA-N 1 0 411.553 0.789 20 0 HCADRO C[NH+](C)CCCN(C(=O)CSc1nnc2ccccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000541095877 1075842920 /nfs/dbraw/zinc/84/29/20/1075842920.db2.gz ZBIWDEFIOAWUOW-CQSZACIVSA-N 1 0 411.553 0.789 20 0 HCADRO COc1ccc(C(=O)NCC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1OC ZINC000541101100 1075842246 /nfs/dbraw/zinc/84/22/46/1075842246.db2.gz VXJPYBGJOIWFTG-UHFFFAOYSA-N 1 0 420.510 0.350 20 0 HCADRO Cc1cc(C2CC[NH+](CC(=O)N3CCN(c4ncnc5c4cnn5C)CC3)CC2)[nH]n1 ZINC000541107297 1075842421 /nfs/dbraw/zinc/84/24/21/1075842421.db2.gz PUUGWLNMUCQRFK-UHFFFAOYSA-N 1 0 423.525 0.923 20 0 HCADRO COC(=O)c1cc(F)cc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000541120542 1075843895 /nfs/dbraw/zinc/84/38/95/1075843895.db2.gz PUDAJCLKPGLHIP-UHFFFAOYSA-N 1 0 417.503 0.281 20 0 HCADRO COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000541123457 1075844692 /nfs/dbraw/zinc/84/46/92/1075844692.db2.gz OGUGWDXQRQWQBS-INIZCTEOSA-N 1 0 417.503 0.983 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCOCC4(CC4)C3)c2)CC1 ZINC000541132434 1075844920 /nfs/dbraw/zinc/84/49/20/1075844920.db2.gz BNDCHMGJUXTLDD-UHFFFAOYSA-N 1 0 414.506 0.961 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCOCC4(CC4)C3)ccc2oc1=O ZINC000541132863 1075844896 /nfs/dbraw/zinc/84/48/96/1075844896.db2.gz IWPKZTFUZZONOE-UHFFFAOYSA-N 1 0 402.451 0.734 20 0 HCADRO COc1c(NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)cccc1C(N)=O ZINC000541135186 1075845672 /nfs/dbraw/zinc/84/56/72/1075845672.db2.gz JQPBAGBCQBCEDD-UHFFFAOYSA-N 1 0 406.483 0.692 20 0 HCADRO COc1c(NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cccc1C(N)=O ZINC000541138635 1075846205 /nfs/dbraw/zinc/84/62/05/1075846205.db2.gz MPVNWFJVCLUNDB-UHFFFAOYSA-N 1 0 410.474 0.948 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000541139113 1075846424 /nfs/dbraw/zinc/84/64/24/1075846424.db2.gz PQQSVCKWFREFMQ-GOSISDBHSA-N 1 0 401.511 0.958 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000541139115 1075846382 /nfs/dbraw/zinc/84/63/82/1075846382.db2.gz PQQSVCKWFREFMQ-SFHVURJKSA-N 1 0 401.511 0.958 20 0 HCADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)C1 ZINC000541143096 1075847388 /nfs/dbraw/zinc/84/73/88/1075847388.db2.gz IKWWRWZMWVMZOS-AWEZNQCLSA-N 1 0 406.483 0.692 20 0 HCADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)C1 ZINC000541143097 1075847338 /nfs/dbraw/zinc/84/73/38/1075847338.db2.gz IKWWRWZMWVMZOS-CQSZACIVSA-N 1 0 406.483 0.692 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)Nc2cccc3c2OCO3)c1 ZINC000541143864 1075847779 /nfs/dbraw/zinc/84/77/79/1075847779.db2.gz POARKGNMOPRFIQ-UHFFFAOYSA-N 1 0 412.446 0.962 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000541144848 1075848113 /nfs/dbraw/zinc/84/81/13/1075848113.db2.gz SCKLPZIMJAKFHK-UHFFFAOYSA-N 1 0 414.510 0.522 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)C1CCCC1 ZINC000541146750 1075851531 /nfs/dbraw/zinc/85/15/31/1075851531.db2.gz YBEDDVRJIRIIIU-UHFFFAOYSA-N 1 0 419.530 0.610 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cncnc3OC)cc2)CC1 ZINC000541151511 1075849279 /nfs/dbraw/zinc/84/92/79/1075849279.db2.gz YMKMJKWLZVJYOZ-UHFFFAOYSA-N 1 0 412.494 0.878 20 0 HCADRO COc1c(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cccc1C(N)=O ZINC000541152461 1075849265 /nfs/dbraw/zinc/84/92/65/1075849265.db2.gz XUVZUISDRFPDLB-UHFFFAOYSA-N 1 0 403.443 0.312 20 0 HCADRO COc1ccc(C(=O)NCC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1OC ZINC000541154007 1075849461 /nfs/dbraw/zinc/84/94/61/1075849461.db2.gz SAEFTUGOQLEZDS-UHFFFAOYSA-N 1 0 406.527 0.918 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)C[C@H](C)O1 ZINC000541181028 1075856196 /nfs/dbraw/zinc/85/61/96/1075856196.db2.gz XDBJNAZXWKMQBU-BBWFWOEESA-N 1 0 406.531 0.710 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)C[C@@H](C)O1 ZINC000541181029 1075856229 /nfs/dbraw/zinc/85/62/29/1075856229.db2.gz XDBJNAZXWKMQBU-BRWVUGGUSA-N 1 0 406.531 0.710 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000541187316 1075857123 /nfs/dbraw/zinc/85/71/23/1075857123.db2.gz MQPIFABOMWHEHO-KRWDZBQOSA-N 1 0 405.547 0.190 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000541187317 1075857173 /nfs/dbraw/zinc/85/71/73/1075857173.db2.gz MQPIFABOMWHEHO-QGZVFWFLSA-N 1 0 405.547 0.190 20 0 HCADRO Cc1cc(C)nc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000541187415 1075857190 /nfs/dbraw/zinc/85/71/90/1075857190.db2.gz RBSWFLZLFMXBJL-KRWDZBQOSA-N 1 0 403.531 0.512 20 0 HCADRO Cc1cc(C)nc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000541187416 1075857167 /nfs/dbraw/zinc/85/71/67/1075857167.db2.gz RBSWFLZLFMXBJL-QGZVFWFLSA-N 1 0 403.531 0.512 20 0 HCADRO COc1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c(C)c1F ZINC000541190178 1075854929 /nfs/dbraw/zinc/85/49/29/1075854929.db2.gz IYARLYYKOJVEJE-UHFFFAOYSA-N 1 0 403.520 0.811 20 0 HCADRO Cn1ccnc1CN1CCC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000541193160 1075855765 /nfs/dbraw/zinc/85/57/65/1075855765.db2.gz BKUACPAILBFRCL-KRWDZBQOSA-N 1 0 404.515 0.417 20 0 HCADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000541193161 1075855723 /nfs/dbraw/zinc/85/57/23/1075855723.db2.gz BKUACPAILBFRCL-QGZVFWFLSA-N 1 0 404.515 0.417 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000541193550 1075855773 /nfs/dbraw/zinc/85/57/73/1075855773.db2.gz ILQDJEDAPQHGJO-ZDUSSCGKSA-N 1 0 407.496 0.870 20 0 HCADRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000541193715 1075855816 /nfs/dbraw/zinc/85/58/16/1075855816.db2.gz VGMASUKGGCVDKU-KRWDZBQOSA-N 1 0 403.527 0.298 20 0 HCADRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000541193716 1075855794 /nfs/dbraw/zinc/85/57/94/1075855794.db2.gz VGMASUKGGCVDKU-QGZVFWFLSA-N 1 0 403.527 0.298 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)Nc2cccc(C(N)=O)n2)c2ccccc2)CC1 ZINC000541198710 1075857886 /nfs/dbraw/zinc/85/78/86/1075857886.db2.gz AOHHTVDBKYGATB-KRWDZBQOSA-N 1 0 410.478 0.224 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)Nc2cccc(C(N)=O)n2)c2ccccc2)CC1 ZINC000541198711 1075857845 /nfs/dbraw/zinc/85/78/45/1075857845.db2.gz AOHHTVDBKYGATB-QGZVFWFLSA-N 1 0 410.478 0.224 20 0 HCADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1=O ZINC000541199065 1075860445 /nfs/dbraw/zinc/86/04/45/1075860445.db2.gz AENFNDYQMYJETB-DLBZAZTESA-N 1 0 406.531 0.663 20 0 HCADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1=O ZINC000541199066 1075860426 /nfs/dbraw/zinc/86/04/26/1075860426.db2.gz AENFNDYQMYJETB-IAGOWNOFSA-N 1 0 406.531 0.663 20 0 HCADRO Cn1ccnc1CN1CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1=O ZINC000541199067 1075860461 /nfs/dbraw/zinc/86/04/61/1075860461.db2.gz AENFNDYQMYJETB-IRXDYDNUSA-N 1 0 406.531 0.663 20 0 HCADRO Cn1ccnc1CN1CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1=O ZINC000541199068 1075860437 /nfs/dbraw/zinc/86/04/37/1075860437.db2.gz AENFNDYQMYJETB-SJORKVTESA-N 1 0 406.531 0.663 20 0 HCADRO CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1F ZINC000541203485 1075858831 /nfs/dbraw/zinc/85/88/31/1075858831.db2.gz SCGJHNIACLMWLN-AWEZNQCLSA-N 1 0 418.477 0.361 20 0 HCADRO CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1F ZINC000541203486 1075858807 /nfs/dbraw/zinc/85/88/07/1075858807.db2.gz SCGJHNIACLMWLN-CQSZACIVSA-N 1 0 418.477 0.361 20 0 HCADRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cccc(S(N)(=O)=O)c1 ZINC000541204499 1075859094 /nfs/dbraw/zinc/85/90/94/1075859094.db2.gz NIVVYXWAMNEEPU-HNNXBMFYSA-N 1 0 401.514 0.087 20 0 HCADRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cccc(S(N)(=O)=O)c1 ZINC000541204500 1075859074 /nfs/dbraw/zinc/85/90/74/1075859074.db2.gz NIVVYXWAMNEEPU-OAHLLOKOSA-N 1 0 401.514 0.087 20 0 HCADRO C[C@H]([NH2+]C[C@H](O)Cn1c(-c2ccccc2)noc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000541204865 1075859077 /nfs/dbraw/zinc/85/90/77/1075859077.db2.gz HMPPKEPNHGQWQT-BBRMVZONSA-N 1 0 418.475 0.862 20 0 HCADRO C[C@@H]([NH2+]C[C@H](O)Cn1c(-c2ccccc2)noc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000541204866 1075859097 /nfs/dbraw/zinc/85/90/97/1075859097.db2.gz HMPPKEPNHGQWQT-CJNGLKHVSA-N 1 0 418.475 0.862 20 0 HCADRO C[C@@H]([NH2+]C[C@@H](O)Cn1c(-c2ccccc2)noc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000541204867 1075859070 /nfs/dbraw/zinc/85/90/70/1075859070.db2.gz HMPPKEPNHGQWQT-CZUORRHYSA-N 1 0 418.475 0.862 20 0 HCADRO C[C@H]([NH2+]C[C@@H](O)Cn1c(-c2ccccc2)noc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000541204868 1075859087 /nfs/dbraw/zinc/85/90/87/1075859087.db2.gz HMPPKEPNHGQWQT-XJKSGUPXSA-N 1 0 418.475 0.862 20 0 HCADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000541210208 1075859771 /nfs/dbraw/zinc/85/97/71/1075859771.db2.gz DASALVXTWAQFCC-HNNXBMFYSA-N 1 0 417.572 0.970 20 0 HCADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000541210209 1075859809 /nfs/dbraw/zinc/85/98/09/1075859809.db2.gz DASALVXTWAQFCC-OAHLLOKOSA-N 1 0 417.572 0.970 20 0 HCADRO CCS(=O)(=O)c1cccc(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000541223498 1075861861 /nfs/dbraw/zinc/86/18/61/1075861861.db2.gz JVDDIDZPZOLUOR-INIZCTEOSA-N 1 0 410.540 0.867 20 0 HCADRO CCS(=O)(=O)c1cccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000541223499 1075861819 /nfs/dbraw/zinc/86/18/19/1075861819.db2.gz JVDDIDZPZOLUOR-MRXNPFEDSA-N 1 0 410.540 0.867 20 0 HCADRO CN(CCC[NH+]1CCCC1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000541225031 1075861874 /nfs/dbraw/zinc/86/18/74/1075861874.db2.gz MBQHWGGANMHBFE-UHFFFAOYSA-N 1 0 417.576 0.155 20 0 HCADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000541230785 1075863563 /nfs/dbraw/zinc/86/35/63/1075863563.db2.gz JJLXUMJMFYVCBZ-AWEZNQCLSA-N 1 0 403.545 0.580 20 0 HCADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000541230786 1075863581 /nfs/dbraw/zinc/86/35/81/1075863581.db2.gz JJLXUMJMFYVCBZ-CQSZACIVSA-N 1 0 403.545 0.580 20 0 HCADRO CN(C)CC[NH+]1CCC(CNC(=O)c2nccc3c2cccc3S(N)(=O)=O)CC1 ZINC000541232416 1075863827 /nfs/dbraw/zinc/86/38/27/1075863827.db2.gz JBVIEUUPWMSUBI-UHFFFAOYSA-N 1 0 419.551 0.886 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)c2nccc3c2cccc3S(N)(=O)=O)CC1 ZINC000541247997 1075865208 /nfs/dbraw/zinc/86/52/08/1075865208.db2.gz WUNXBJLMGRFVDU-UHFFFAOYSA-N 1 0 405.524 0.640 20 0 HCADRO CC(=O)NC1CCC([N@@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000541313754 1075874449 /nfs/dbraw/zinc/87/44/49/1075874449.db2.gz OPWJRFDGIPAYFE-IGEOTXOUSA-N 1 0 422.551 0.991 20 0 HCADRO CC(=O)NC1CCC([N@@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 ZINC000541313756 1075874517 /nfs/dbraw/zinc/87/45/17/1075874517.db2.gz OPWJRFDGIPAYFE-NVPAJSRCSA-N 1 0 422.551 0.991 20 0 HCADRO CC(=O)NC1CCC([N@@H+](C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000541315001 1078389387 /nfs/dbraw/zinc/38/93/87/1078389387.db2.gz VAIJICUGQGGKOP-UHFFFAOYSA-N 1 0 404.577 0.542 20 0 HCADRO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000541320582 1075875268 /nfs/dbraw/zinc/87/52/68/1075875268.db2.gz KGTROTRWNDLYTO-LVFSCSRESA-N 1 0 423.535 0.737 20 0 HCADRO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000541320583 1075875197 /nfs/dbraw/zinc/87/51/97/1075875197.db2.gz KGTROTRWNDLYTO-OHQAAIJDSA-N 1 0 423.535 0.737 20 0 HCADRO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000541320585 1075875243 /nfs/dbraw/zinc/87/52/43/1075875243.db2.gz KGTROTRWNDLYTO-PDWMJMLSSA-N 1 0 423.535 0.737 20 0 HCADRO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000541320588 1075875261 /nfs/dbraw/zinc/87/52/61/1075875261.db2.gz KGTROTRWNDLYTO-WTLGNFPFSA-N 1 0 423.535 0.737 20 0 HCADRO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000541322900 1075875292 /nfs/dbraw/zinc/87/52/92/1075875292.db2.gz WDFVNIYECLUODK-QXAKKESOSA-N 1 0 423.535 0.026 20 0 HCADRO O=S(=O)(c1ccc(OCC[N@H+]2CCSC[C@@H]2CO)cc1)N1CCOCC1 ZINC000541329432 1075876184 /nfs/dbraw/zinc/87/61/84/1075876184.db2.gz BONVMZYMRDQSQM-HNNXBMFYSA-N 1 0 402.538 0.496 20 0 HCADRO O=S(=O)(c1ccc(OCC[N@H+]2CCSC[C@H]2CO)cc1)N1CCOCC1 ZINC000541329433 1075876122 /nfs/dbraw/zinc/87/61/22/1075876122.db2.gz BONVMZYMRDQSQM-OAHLLOKOSA-N 1 0 402.538 0.496 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000541338637 1075879081 /nfs/dbraw/zinc/87/90/81/1075879081.db2.gz KIJUZJSJQMHMEP-DLBZAZTESA-N 1 0 402.499 0.212 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000541338646 1075879116 /nfs/dbraw/zinc/87/91/16/1075879116.db2.gz KIJUZJSJQMHMEP-IAGOWNOFSA-N 1 0 402.499 0.212 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000541338650 1075879023 /nfs/dbraw/zinc/87/90/23/1075879023.db2.gz KIJUZJSJQMHMEP-IRXDYDNUSA-N 1 0 402.499 0.212 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000541338653 1075879073 /nfs/dbraw/zinc/87/90/73/1075879073.db2.gz KIJUZJSJQMHMEP-SJORKVTESA-N 1 0 402.499 0.212 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000541339983 1075879286 /nfs/dbraw/zinc/87/92/86/1075879286.db2.gz WEZXTRXQZIJAMY-GOSISDBHSA-N 1 0 416.526 0.819 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000541339987 1075879299 /nfs/dbraw/zinc/87/92/99/1075879299.db2.gz WEZXTRXQZIJAMY-SFHVURJKSA-N 1 0 416.526 0.819 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)c2)CC1 ZINC000541352851 1075878570 /nfs/dbraw/zinc/87/85/70/1075878570.db2.gz DNFJAYXSVHWWBI-QXAKKESOSA-N 1 0 414.506 0.552 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)c2)CC1 ZINC000541352854 1075878509 /nfs/dbraw/zinc/87/85/09/1075878509.db2.gz DNFJAYXSVHWWBI-UHOSZYNNSA-N 1 0 414.506 0.552 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)c2)CC1 ZINC000541352856 1075878588 /nfs/dbraw/zinc/87/85/88/1075878588.db2.gz DNFJAYXSVHWWBI-WDSOQIARSA-N 1 0 414.506 0.552 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)c2)CC1 ZINC000541352858 1075878546 /nfs/dbraw/zinc/87/85/46/1075878546.db2.gz DNFJAYXSVHWWBI-YTQUADARSA-N 1 0 414.506 0.552 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]3CCCCS3(=O)=O)c2)CC1 ZINC000541353833 1075880463 /nfs/dbraw/zinc/88/04/63/1075880463.db2.gz BPBGRSLCANIBPR-GOSISDBHSA-N 1 0 422.551 0.456 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCCCS3(=O)=O)c2)CC1 ZINC000541353843 1075880455 /nfs/dbraw/zinc/88/04/55/1075880455.db2.gz BPBGRSLCANIBPR-SFHVURJKSA-N 1 0 422.551 0.456 20 0 HCADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1OC ZINC000541367975 1075879856 /nfs/dbraw/zinc/87/98/56/1075879856.db2.gz DFNZSUKWYFHOIE-AWEZNQCLSA-N 1 0 400.497 0.853 20 0 HCADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1OC ZINC000541367976 1075879838 /nfs/dbraw/zinc/87/98/38/1075879838.db2.gz DFNZSUKWYFHOIE-CQSZACIVSA-N 1 0 400.497 0.853 20 0 HCADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCOCC3(CCOCC3)C2)CC1 ZINC000541383590 1075883084 /nfs/dbraw/zinc/88/30/84/1075883084.db2.gz LIRXRUTXQQMOMG-UHFFFAOYSA-N 1 0 410.559 0.174 20 0 HCADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000541385203 1075883255 /nfs/dbraw/zinc/88/32/55/1075883255.db2.gz YTXMGHKOAGFXHA-CYBMUJFWSA-N 1 0 402.948 0.991 20 0 HCADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000541385204 1075883240 /nfs/dbraw/zinc/88/32/40/1075883240.db2.gz YTXMGHKOAGFXHA-ZDUSSCGKSA-N 1 0 402.948 0.991 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C(=O)OC)c(OC)c3)C2)CC1 ZINC000541386049 1075883288 /nfs/dbraw/zinc/88/32/88/1075883288.db2.gz BZDHDIDYWFUVGB-HNNXBMFYSA-N 1 0 411.524 0.882 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C(=O)OC)c(OC)c3)C2)CC1 ZINC000541386050 1075883297 /nfs/dbraw/zinc/88/32/97/1075883297.db2.gz BZDHDIDYWFUVGB-OAHLLOKOSA-N 1 0 411.524 0.882 20 0 HCADRO Cc1ccc([C@H]2CC[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)cc1 ZINC000541392659 1075883996 /nfs/dbraw/zinc/88/39/96/1075883996.db2.gz JKMODSGOORAHCV-NRFANRHFSA-N 1 0 414.550 0.787 20 0 HCADRO Cc1ccc([C@@H]2CC[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)cc1 ZINC000541392662 1075884027 /nfs/dbraw/zinc/88/40/27/1075884027.db2.gz JKMODSGOORAHCV-OAQYLSRUSA-N 1 0 414.550 0.787 20 0 HCADRO COc1ccc(C(=O)CCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(OC)c1OC ZINC000541398295 1075884626 /nfs/dbraw/zinc/88/46/26/1075884626.db2.gz GYHCWTNOXWYBGK-UHFFFAOYSA-N 1 0 421.494 0.908 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)ccc1-n1nnnc1C(C)C ZINC000541404685 1075883441 /nfs/dbraw/zinc/88/34/41/1075883441.db2.gz MRBDYWWAANIKJP-INIZCTEOSA-N 1 0 414.514 0.395 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)ccc1-n1nnnc1C(C)C ZINC000541404687 1075883504 /nfs/dbraw/zinc/88/35/04/1075883504.db2.gz MRBDYWWAANIKJP-MRXNPFEDSA-N 1 0 414.514 0.395 20 0 HCADRO CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000541405094 1075885580 /nfs/dbraw/zinc/88/55/80/1075885580.db2.gz PJVAUXRSXRFNSZ-AWEZNQCLSA-N 1 0 400.487 0.222 20 0 HCADRO CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000541405095 1075885636 /nfs/dbraw/zinc/88/56/36/1075885636.db2.gz PJVAUXRSXRFNSZ-CQSZACIVSA-N 1 0 400.487 0.222 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H](C)C[S@@](C)=O ZINC000541408865 1075886581 /nfs/dbraw/zinc/88/65/81/1075886581.db2.gz IPOFCLNDTYLOOF-GMYLUUGSSA-N 1 0 410.540 0.659 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000541408866 1075886609 /nfs/dbraw/zinc/88/66/09/1075886609.db2.gz IPOFCLNDTYLOOF-HJFSHJIFSA-N 1 0 410.540 0.659 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C[S@](C)=O ZINC000541408867 1075886571 /nfs/dbraw/zinc/88/65/71/1075886571.db2.gz IPOFCLNDTYLOOF-POXGOYDTSA-N 1 0 410.540 0.659 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H](C)C[S@](C)=O ZINC000541408868 1075886599 /nfs/dbraw/zinc/88/65/99/1075886599.db2.gz IPOFCLNDTYLOOF-SUMNFNSASA-N 1 0 410.540 0.659 20 0 HCADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000541409244 1075886592 /nfs/dbraw/zinc/88/65/92/1075886592.db2.gz OFYKTKWOUDURGC-UTKZUKDTSA-N 1 0 414.550 0.996 20 0 HCADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000541409245 1075886557 /nfs/dbraw/zinc/88/65/57/1075886557.db2.gz OFYKTKWOUDURGC-UWJYYQICSA-N 1 0 414.550 0.996 20 0 HCADRO COC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000541411593 1075887134 /nfs/dbraw/zinc/88/71/34/1075887134.db2.gz MZKBPUICMAZWEY-CYBMUJFWSA-N 1 0 404.467 0.390 20 0 HCADRO COC(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000541411594 1075887149 /nfs/dbraw/zinc/88/71/49/1075887149.db2.gz MZKBPUICMAZWEY-ZDUSSCGKSA-N 1 0 404.467 0.390 20 0 HCADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000541412935 1075887181 /nfs/dbraw/zinc/88/71/81/1075887181.db2.gz LQTXCYIMUMTGKN-UHFFFAOYSA-N 1 0 414.466 0.963 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)CC(=O)OC ZINC000541413168 1075887119 /nfs/dbraw/zinc/88/71/19/1075887119.db2.gz USMMKXDZRKOUFA-AWEZNQCLSA-N 1 0 406.483 0.843 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H](C)CC(=O)OC ZINC000541413169 1075887167 /nfs/dbraw/zinc/88/71/67/1075887167.db2.gz USMMKXDZRKOUFA-CQSZACIVSA-N 1 0 406.483 0.843 20 0 HCADRO CCOC(=O)COc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000541413965 1075887129 /nfs/dbraw/zinc/88/71/29/1075887129.db2.gz MLSHYHYQUJSBSE-UHFFFAOYSA-N 1 0 421.494 0.919 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)COCCNC(=O)c3ccccc3)CC2)CC1 ZINC000541424234 1075886160 /nfs/dbraw/zinc/88/61/60/1075886160.db2.gz INBUCOMKLVRSDY-UHFFFAOYSA-N 1 0 402.539 0.919 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000541426185 1075886452 /nfs/dbraw/zinc/88/64/52/1075886452.db2.gz IFGDKZVXZVLRNK-HNNXBMFYSA-N 1 0 418.494 0.909 20 0 HCADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1=O ZINC000541426334 1075886449 /nfs/dbraw/zinc/88/64/49/1075886449.db2.gz OZDIGEYFQUPTFW-HNNXBMFYSA-N 1 0 406.483 0.731 20 0 HCADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1=O ZINC000541426335 1075886391 /nfs/dbraw/zinc/88/63/91/1075886391.db2.gz OZDIGEYFQUPTFW-OAHLLOKOSA-N 1 0 406.483 0.731 20 0 HCADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000541435538 1075888350 /nfs/dbraw/zinc/88/83/50/1075888350.db2.gz HILQPEWOXSKCMP-KRWDZBQOSA-N 1 0 417.572 0.266 20 0 HCADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000541435540 1075888304 /nfs/dbraw/zinc/88/83/04/1075888304.db2.gz HILQPEWOXSKCMP-QGZVFWFLSA-N 1 0 417.572 0.266 20 0 HCADRO Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000541435583 1075888330 /nfs/dbraw/zinc/88/83/30/1075888330.db2.gz HQWZDWQBPROTRY-UHFFFAOYSA-N 1 0 415.494 0.851 20 0 HCADRO Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC(O)(C[NH+]3CCOCC3)CC1)C2=O ZINC000541435813 1075888310 /nfs/dbraw/zinc/88/83/10/1075888310.db2.gz IJPIHZZDQHDONJ-UHFFFAOYSA-N 1 0 401.463 0.277 20 0 HCADRO CNC(=O)COc1cccc(CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000541436838 1075888516 /nfs/dbraw/zinc/88/85/16/1075888516.db2.gz UBFFLWVUGLOPTJ-UHFFFAOYSA-N 1 0 405.495 0.040 20 0 HCADRO Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCC(O)(C[NH+]3CCOCC3)CC1)C2=O ZINC000541438210 1075888502 /nfs/dbraw/zinc/88/85/02/1075888502.db2.gz UXWYNNDARVGHFV-INIZCTEOSA-N 1 0 415.490 0.665 20 0 HCADRO Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCC(O)(C[NH+]3CCOCC3)CC1)C2=O ZINC000541438211 1075888526 /nfs/dbraw/zinc/88/85/26/1075888526.db2.gz UXWYNNDARVGHFV-MRXNPFEDSA-N 1 0 415.490 0.665 20 0 HCADRO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000541438237 1075888530 /nfs/dbraw/zinc/88/85/30/1075888530.db2.gz WHRDQNCRBMXVOC-FQEVSTJZSA-N 1 0 401.507 0.646 20 0 HCADRO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000541438238 1075888483 /nfs/dbraw/zinc/88/84/83/1075888483.db2.gz WHRDQNCRBMXVOC-HXUWFJFHSA-N 1 0 401.507 0.646 20 0 HCADRO CN1C(=O)N(CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C(=O)C12CCCCC2 ZINC000541438270 1075888476 /nfs/dbraw/zinc/88/84/76/1075888476.db2.gz XQWBJEVNODJPJE-UHFFFAOYSA-N 1 0 422.526 0.269 20 0 HCADRO COc1c2cnn(C)c2ncc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000541449456 1075887924 /nfs/dbraw/zinc/88/79/24/1075887924.db2.gz JYNXICSSZCNWEV-SFHVURJKSA-N 1 0 424.505 0.996 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCc1cnc(C)[nH]c1=O ZINC000541456624 1075889683 /nfs/dbraw/zinc/88/96/83/1075889683.db2.gz MUZJDKQUILYXJV-UHFFFAOYSA-N 1 0 421.523 0.959 20 0 HCADRO COCCOC1CN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000541495619 1075891035 /nfs/dbraw/zinc/89/10/35/1075891035.db2.gz XJBHFEUGCPODLT-GOSISDBHSA-N 1 0 404.511 0.941 20 0 HCADRO COCCOC1CN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000541495620 1075891090 /nfs/dbraw/zinc/89/10/90/1075891090.db2.gz XJBHFEUGCPODLT-SFHVURJKSA-N 1 0 404.511 0.941 20 0 HCADRO COc1c(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cccc1C(N)=O ZINC000542066896 1078520882 /nfs/dbraw/zinc/52/08/82/1078520882.db2.gz YUJLZGZBUKKFAS-OAHLLOKOSA-N 1 0 417.510 0.361 20 0 HCADRO COc1cncc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000542464599 1077329267 /nfs/dbraw/zinc/32/92/67/1077329267.db2.gz BVAQAACTCNFDGA-SFHVURJKSA-N 1 0 406.508 0.658 20 0 HCADRO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000542465102 1077324825 /nfs/dbraw/zinc/32/48/25/1077324825.db2.gz TZOVEQODDPJKOZ-UHFFFAOYSA-N 1 0 419.555 0.186 20 0 HCADRO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000542466639 1077348880 /nfs/dbraw/zinc/34/88/80/1077348880.db2.gz OJBDTWROQKIGLO-UHFFFAOYSA-N 1 0 406.512 0.270 20 0 HCADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000542473140 1077395765 /nfs/dbraw/zinc/39/57/65/1077395765.db2.gz FKRNCQSORUURRL-UHFFFAOYSA-N 1 0 418.523 0.550 20 0 HCADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000542473504 1077411548 /nfs/dbraw/zinc/41/15/48/1077411548.db2.gz KKBIOLAKOUJMNG-UHFFFAOYSA-N 1 0 404.496 0.547 20 0 HCADRO NS(=O)(=O)N1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000542476404 1077445073 /nfs/dbraw/zinc/44/50/73/1077445073.db2.gz LJVXDNJXZQVCBR-GOSISDBHSA-N 1 0 410.540 0.175 20 0 HCADRO NS(=O)(=O)N1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000542476405 1077445578 /nfs/dbraw/zinc/44/55/78/1077445578.db2.gz LJVXDNJXZQVCBR-SFHVURJKSA-N 1 0 410.540 0.175 20 0 HCADRO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1=O ZINC000542478976 1077457769 /nfs/dbraw/zinc/45/77/69/1077457769.db2.gz XIRBAUIZLJGNEF-AVRDEDQJSA-N 1 0 414.506 0.980 20 0 HCADRO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1=O ZINC000542478977 1077458119 /nfs/dbraw/zinc/45/81/19/1077458119.db2.gz XIRBAUIZLJGNEF-GCJKJVERSA-N 1 0 414.506 0.980 20 0 HCADRO C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1=O ZINC000542478978 1077457973 /nfs/dbraw/zinc/45/79/73/1077457973.db2.gz XIRBAUIZLJGNEF-PGRDOPGGSA-N 1 0 414.506 0.980 20 0 HCADRO C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1=O ZINC000542478979 1077458224 /nfs/dbraw/zinc/45/82/24/1077458224.db2.gz XIRBAUIZLJGNEF-XMSQKQJNSA-N 1 0 414.506 0.980 20 0 HCADRO C[NH+](C)CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000542487961 1077565427 /nfs/dbraw/zinc/56/54/27/1077565427.db2.gz TUALPKIDDLGCMA-CYBMUJFWSA-N 1 0 424.445 0.296 20 0 HCADRO C[NH+](C)CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000542487962 1077565499 /nfs/dbraw/zinc/56/54/99/1077565499.db2.gz TUALPKIDDLGCMA-ZDUSSCGKSA-N 1 0 424.445 0.296 20 0 HCADRO C[NH+](C)CCOCCNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000542501842 1077630601 /nfs/dbraw/zinc/63/06/01/1077630601.db2.gz QHMATBSLZHMNQZ-UHFFFAOYSA-N 1 0 422.301 0.637 20 0 HCADRO O=S(=O)(c1ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc1)N1CCCCC1 ZINC000542505607 1077639433 /nfs/dbraw/zinc/63/94/33/1077639433.db2.gz HOULDLYIWOWBMZ-UHFFFAOYSA-N 1 0 424.567 0.920 20 0 HCADRO O=S(=O)(c1ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc1)N1CCCC1 ZINC000542506118 1077638763 /nfs/dbraw/zinc/63/87/63/1077638763.db2.gz MSBHICSPRCUQPX-UHFFFAOYSA-N 1 0 410.540 0.530 20 0 HCADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC[C@H](S(N)(=O)=O)C3)CC2)cc1 ZINC000542509903 1077645982 /nfs/dbraw/zinc/64/59/82/1077645982.db2.gz HDIOFFZTMRJJAL-IBGZPJMESA-N 1 0 408.568 0.782 20 0 HCADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC[C@@H](S(N)(=O)=O)C3)CC2)cc1 ZINC000542509908 1077645715 /nfs/dbraw/zinc/64/57/15/1077645715.db2.gz HDIOFFZTMRJJAL-LJQANCHMSA-N 1 0 408.568 0.782 20 0 HCADRO CCOC(=O)Cc1csc(NC(=O)CN2CC[C@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000542514567 1077652756 /nfs/dbraw/zinc/65/27/56/1077652756.db2.gz IPOUJMDLZBTDGG-INIZCTEOSA-N 1 0 409.556 0.899 20 0 HCADRO CCOC(=O)Cc1csc(NC(=O)CN2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000542514815 1077652180 /nfs/dbraw/zinc/65/21/80/1077652180.db2.gz IPOUJMDLZBTDGG-MRXNPFEDSA-N 1 0 409.556 0.899 20 0 HCADRO C[C@H](C[S@](C)=O)[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000542519281 1077659807 /nfs/dbraw/zinc/65/98/07/1077659807.db2.gz ONFJNIFOGRVCQG-BZQUYTCOSA-N 1 0 404.554 0.785 20 0 HCADRO C[C@@H](C[S@](C)=O)[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000542519282 1077659741 /nfs/dbraw/zinc/65/97/41/1077659741.db2.gz ONFJNIFOGRVCQG-MQNRADLISA-N 1 0 404.554 0.785 20 0 HCADRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000542519285 1077659683 /nfs/dbraw/zinc/65/96/83/1077659683.db2.gz ONFJNIFOGRVCQG-ODCWNRFASA-N 1 0 404.554 0.785 20 0 HCADRO C[C@H](C[S@@](C)=O)[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000542519286 1077659772 /nfs/dbraw/zinc/65/97/72/1077659772.db2.gz ONFJNIFOGRVCQG-SGANQWHYSA-N 1 0 404.554 0.785 20 0 HCADRO COC[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(C)C ZINC000542521241 1077666602 /nfs/dbraw/zinc/66/66/02/1077666602.db2.gz ANNHJGIZQOIRKV-HNNXBMFYSA-N 1 0 402.517 0.385 20 0 HCADRO COC[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(C)C ZINC000542521247 1077665627 /nfs/dbraw/zinc/66/56/27/1077665627.db2.gz ANNHJGIZQOIRKV-OAHLLOKOSA-N 1 0 402.517 0.385 20 0 HCADRO COC[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C(C)C ZINC000542523565 1077676348 /nfs/dbraw/zinc/67/63/48/1077676348.db2.gz HESFRQWWKQAGKR-INIZCTEOSA-N 1 0 401.504 0.919 20 0 HCADRO COC[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C(C)C ZINC000542523566 1077676275 /nfs/dbraw/zinc/67/62/75/1077676275.db2.gz HESFRQWWKQAGKR-MRXNPFEDSA-N 1 0 401.504 0.919 20 0 HCADRO COC[C@@H]([NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C ZINC000542524431 1077676949 /nfs/dbraw/zinc/67/69/49/1077676949.db2.gz BKEZNVFRYCXBSC-GOSISDBHSA-N 1 0 413.540 0.584 20 0 HCADRO COC[C@H]([NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C ZINC000542524432 1077677003 /nfs/dbraw/zinc/67/70/03/1077677003.db2.gz BKEZNVFRYCXBSC-SFHVURJKSA-N 1 0 413.540 0.584 20 0 HCADRO O=C(C[NH2+]C1(C2CC2)CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000542524895 1077681536 /nfs/dbraw/zinc/68/15/36/1077681536.db2.gz FHTXDIQTHZZPBS-UHFFFAOYSA-N 1 0 421.519 0.823 20 0 HCADRO CC[C@H]([NH2+]CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)c1c(C)nn(C)c1C ZINC000542528436 1077685495 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KRSLLSBXPCGHCJ-MRXNPFEDSA-N 1 0 403.593 0.231 20 0 HCADRO COC[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CC1 ZINC000542549797 1077810091 /nfs/dbraw/zinc/81/00/91/1077810091.db2.gz MTACJYSQPDISSG-GOSISDBHSA-N 1 0 411.524 0.543 20 0 HCADRO COC[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CC1 ZINC000542549802 1077810113 /nfs/dbraw/zinc/81/01/13/1077810113.db2.gz MTACJYSQPDISSG-SFHVURJKSA-N 1 0 411.524 0.543 20 0 HCADRO NC(=O)C[C@@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC000542562060 1077848682 /nfs/dbraw/zinc/84/86/82/1077848682.db2.gz GAUUOHLDIXAERO-DLBZAZTESA-N 1 0 415.556 0.205 20 0 HCADRO NC(=O)C[C@@H]([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC000542562070 1077848665 /nfs/dbraw/zinc/84/86/65/1077848665.db2.gz GAUUOHLDIXAERO-IAGOWNOFSA-N 1 0 415.556 0.205 20 0 HCADRO NC(=O)C[C@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC000542562071 1077848612 /nfs/dbraw/zinc/84/86/12/1077848612.db2.gz GAUUOHLDIXAERO-IRXDYDNUSA-N 1 0 415.556 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ZINC000542602683 1078182649 /nfs/dbraw/zinc/18/26/49/1078182649.db2.gz DNUMIBFOHQOQQX-AWEZNQCLSA-N 1 0 408.524 0.914 20 0 HCADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000542602684 1078182724 /nfs/dbraw/zinc/18/27/24/1078182724.db2.gz DNUMIBFOHQOQQX-CQSZACIVSA-N 1 0 408.524 0.914 20 0 HCADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000542602782 1078173505 /nfs/dbraw/zinc/17/35/05/1078173505.db2.gz IMQDXAXWOJFOFV-UHFFFAOYSA-N 1 0 408.524 0.866 20 0 HCADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)CC1 ZINC000542603017 1078171383 /nfs/dbraw/zinc/17/13/83/1078171383.db2.gz TVVSPNVQCVDTTR-UHFFFAOYSA-N 1 0 418.494 0.388 20 0 HCADRO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000542603079 1078173485 /nfs/dbraw/zinc/17/34/85/1078173485.db2.gz XFZRHYRXVCUYDI-UHFFFAOYSA-N 1 0 408.524 0.939 20 0 HCADRO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000542603704 1078203033 /nfs/dbraw/zinc/20/30/33/1078203033.db2.gz MKHXHNLZVHQMMX-DOTOQJQBSA-N 1 0 406.508 0.690 20 0 HCADRO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000542603705 1078203237 /nfs/dbraw/zinc/20/32/37/1078203237.db2.gz MKHXHNLZVHQMMX-NVXWUHKLSA-N 1 0 406.508 0.690 20 0 HCADRO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000542603707 1078203148 /nfs/dbraw/zinc/20/31/48/1078203148.db2.gz MKHXHNLZVHQMMX-RDJZCZTQSA-N 1 0 406.508 0.690 20 0 HCADRO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000542603709 1078202919 /nfs/dbraw/zinc/20/29/19/1078202919.db2.gz MKHXHNLZVHQMMX-WBVHZDCISA-N 1 0 406.508 0.690 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000542603794 1078205532 /nfs/dbraw/zinc/20/55/32/1078205532.db2.gz QWNDTEBQCRDCMM-UHFFFAOYSA-N 1 0 424.523 0.294 20 0 HCADRO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000542604945 1078205896 /nfs/dbraw/zinc/20/58/96/1078205896.db2.gz BRVKCTZOTVDUEE-UHFFFAOYSA-N 1 0 406.508 0.690 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000542606025 1078209732 /nfs/dbraw/zinc/20/97/32/1078209732.db2.gz HPXFXQDCOUXPFS-UHFFFAOYSA-N 1 0 408.524 0.795 20 0 HCADRO CNC(=O)c1cccc(NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000542608166 1078262418 /nfs/dbraw/zinc/26/24/18/1078262418.db2.gz XSVNTDKBEGLMBL-UHFFFAOYSA-N 1 0 415.538 0.861 20 0 HCADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000542624084 1078857882 /nfs/dbraw/zinc/85/78/82/1078857882.db2.gz BJMNUVDIDXEPKC-KBPBESRZSA-N 1 0 400.479 0.902 20 0 HCADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000542624085 1078857825 /nfs/dbraw/zinc/85/78/25/1078857825.db2.gz BJMNUVDIDXEPKC-KGLIPLIRSA-N 1 0 400.479 0.902 20 0 HCADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000542624086 1078858323 /nfs/dbraw/zinc/85/83/23/1078858323.db2.gz BJMNUVDIDXEPKC-UONOGXRCSA-N 1 0 400.479 0.902 20 0 HCADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000542624087 1078858207 /nfs/dbraw/zinc/85/82/07/1078858207.db2.gz BJMNUVDIDXEPKC-ZIAGYGMSSA-N 1 0 400.479 0.902 20 0 HCADRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000542624759 1078894438 /nfs/dbraw/zinc/89/44/38/1078894438.db2.gz BDMGOVXLDJGJOP-UHFFFAOYSA-N 1 0 408.524 0.795 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000542625259 1078872309 /nfs/dbraw/zinc/87/23/09/1078872309.db2.gz SRUXDRUSTWHBGG-AWEZNQCLSA-N 1 0 408.524 0.747 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000542625260 1078872383 /nfs/dbraw/zinc/87/23/83/1078872383.db2.gz SRUXDRUSTWHBGG-CQSZACIVSA-N 1 0 408.524 0.747 20 0 HCADRO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000542625362 1078869561 /nfs/dbraw/zinc/86/95/61/1078869561.db2.gz ARBCGCKZQBJMDK-INIZCTEOSA-N 1 0 408.462 0.691 20 0 HCADRO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000542625363 1078869870 /nfs/dbraw/zinc/86/98/70/1078869870.db2.gz ARBCGCKZQBJMDK-MRXNPFEDSA-N 1 0 408.462 0.691 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000542625445 1078871314 /nfs/dbraw/zinc/87/13/14/1078871314.db2.gz DBQHEEJIDUENNV-PXAZEXFGSA-N 1 0 406.508 0.665 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000542625447 1078871700 /nfs/dbraw/zinc/87/17/00/1078871700.db2.gz DBQHEEJIDUENNV-SJCJKPOMSA-N 1 0 406.508 0.665 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000542625448 1078871660 /nfs/dbraw/zinc/87/16/60/1078871660.db2.gz DBQHEEJIDUENNV-SJKOYZFVSA-N 1 0 406.508 0.665 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000542625450 1078871712 /nfs/dbraw/zinc/87/17/12/1078871712.db2.gz DBQHEEJIDUENNV-YVEFUNNKSA-N 1 0 406.508 0.665 20 0 HCADRO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000542625836 1079022908 /nfs/dbraw/zinc/02/29/08/1079022908.db2.gz FWQUQDRXMINPPB-INIZCTEOSA-N 1 0 404.492 0.539 20 0 HCADRO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000542625839 1079022975 /nfs/dbraw/zinc/02/29/75/1079022975.db2.gz FWQUQDRXMINPPB-MRXNPFEDSA-N 1 0 404.492 0.539 20 0 HCADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000542626230 1078982137 /nfs/dbraw/zinc/98/21/37/1078982137.db2.gz LPDFWWVUKUMOHO-UHFFFAOYSA-N 1 0 408.524 0.938 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)C1 ZINC000542627003 1079027779 /nfs/dbraw/zinc/02/77/79/1079027779.db2.gz LJJCXIJIFOWEGM-HNNXBMFYSA-N 1 0 414.466 0.055 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)C1 ZINC000542627005 1079027562 /nfs/dbraw/zinc/02/75/62/1079027562.db2.gz LJJCXIJIFOWEGM-OAHLLOKOSA-N 1 0 414.466 0.055 20 0 HCADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000542627836 1079032671 /nfs/dbraw/zinc/03/26/71/1079032671.db2.gz RIKMIJWGTBSSDX-KBPBESRZSA-N 1 0 408.524 0.936 20 0 HCADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000542627839 1079033049 /nfs/dbraw/zinc/03/30/49/1079033049.db2.gz RIKMIJWGTBSSDX-KGLIPLIRSA-N 1 0 408.524 0.936 20 0 HCADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000542628107 1079032597 /nfs/dbraw/zinc/03/25/97/1079032597.db2.gz RIKMIJWGTBSSDX-UONOGXRCSA-N 1 0 408.524 0.936 20 0 HCADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000542628108 1079032654 /nfs/dbraw/zinc/03/26/54/1079032654.db2.gz RIKMIJWGTBSSDX-ZIAGYGMSSA-N 1 0 408.524 0.936 20 0 HCADRO CC(C)(CC(N)=O)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000542629880 1079042645 /nfs/dbraw/zinc/04/26/45/1079042645.db2.gz UPVBLQWXLUHWSL-UHFFFAOYSA-N 1 0 422.551 0.252 20 0 HCADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000542630054 1079040641 /nfs/dbraw/zinc/04/06/41/1079040641.db2.gz RNLJQQRNICZCNU-FQEVSTJZSA-N 1 0 420.535 0.714 20 0 HCADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000542630055 1079040804 /nfs/dbraw/zinc/04/08/04/1079040804.db2.gz RNLJQQRNICZCNU-HXUWFJFHSA-N 1 0 420.535 0.714 20 0 HCADRO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1COc2ccccc21 ZINC000542630504 1079039337 /nfs/dbraw/zinc/03/93/37/1079039337.db2.gz GQESOTWLHZHDNK-HKUYNNGSSA-N 1 0 416.522 0.144 20 0 HCADRO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H]1COc2ccccc21 ZINC000542630505 1079039473 /nfs/dbraw/zinc/03/94/73/1079039473.db2.gz GQESOTWLHZHDNK-IEBWSBKVSA-N 1 0 416.522 0.144 20 0 HCADRO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1COc2ccccc21 ZINC000542630506 1079039394 /nfs/dbraw/zinc/03/93/94/1079039394.db2.gz GQESOTWLHZHDNK-MJGOQNOKSA-N 1 0 416.522 0.144 20 0 HCADRO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H]1COc2ccccc21 ZINC000542630507 1079039868 /nfs/dbraw/zinc/03/98/68/1079039868.db2.gz GQESOTWLHZHDNK-PKOBYXMFSA-N 1 0 416.522 0.144 20 0 HCADRO Cc1ccc(NC(=O)C[NH2+]C(C)(C)CC(N)=O)cc1S(=O)(=O)N1CCOCC1 ZINC000542632106 1079054832 /nfs/dbraw/zinc/05/48/32/1079054832.db2.gz XIICWHILRRPHLK-UHFFFAOYSA-N 1 0 412.512 0.198 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC1CCS(=O)CC1 ZINC000542638825 1079254443 /nfs/dbraw/zinc/25/44/43/1079254443.db2.gz MVDCBJQGKVBYED-UHFFFAOYSA-N 1 0 415.581 0.866 20 0 HCADRO CCN1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)CC1=O ZINC000542642078 1079271776 /nfs/dbraw/zinc/27/17/76/1079271776.db2.gz BGEVIFMSBWSVCS-UHFFFAOYSA-N 1 0 401.511 0.846 20 0 HCADRO CCS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000542642655 1079292801 /nfs/dbraw/zinc/29/28/01/1079292801.db2.gz LYNXBNSENUTHRB-UHFFFAOYSA-N 1 0 410.540 0.865 20 0 HCADRO CCS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000542642746 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1080484528 /nfs/dbraw/zinc/48/45/28/1080484528.db2.gz LQXSEJWMXWLOCG-OAHLLOKOSA-N 1 0 409.533 0.821 20 0 HCADRO CCc1ccc([C@H](CO)[NH2+]CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000542913327 1080485275 /nfs/dbraw/zinc/48/52/75/1080485275.db2.gz CCMUGRXKKAZUDX-IBGZPJMESA-N 1 0 405.520 0.878 20 0 HCADRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000542913328 1080485578 /nfs/dbraw/zinc/48/55/78/1080485578.db2.gz CCMUGRXKKAZUDX-LJQANCHMSA-N 1 0 405.520 0.878 20 0 HCADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H](CO)c2cccc(Br)c2)cn1 ZINC000542914378 1080484592 /nfs/dbraw/zinc/48/45/92/1080484592.db2.gz UGSJDSZZNGSELN-AWEZNQCLSA-N 1 0 403.302 0.784 20 0 HCADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@H](CO)c2cccc(Br)c2)cn1 ZINC000542914379 1080484659 /nfs/dbraw/zinc/48/46/59/1080484659.db2.gz UGSJDSZZNGSELN-CQSZACIVSA-N 1 0 403.302 0.784 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000542915260 1080487672 /nfs/dbraw/zinc/48/76/72/1080487672.db2.gz XMJMLPBQLXKHAW-GOSISDBHSA-N 1 0 403.504 0.760 20 0 HCADRO NS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000542915262 1080487315 /nfs/dbraw/zinc/48/73/15/1080487315.db2.gz XMJMLPBQLXKHAW-SFHVURJKSA-N 1 0 403.504 0.760 20 0 HCADRO CNC(=O)[C@@H]1CN(CC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CCO1 ZINC000542919419 1080497212 /nfs/dbraw/zinc/49/72/12/1080497212.db2.gz IPIAJUDIEXKRBG-PMACEKPBSA-N 1 0 418.538 0.785 20 0 HCADRO CNC(=O)[C@@H]1CN(CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CCO1 ZINC000542919420 1080497078 /nfs/dbraw/zinc/49/70/78/1080497078.db2.gz IPIAJUDIEXKRBG-UXHICEINSA-N 1 0 418.538 0.785 20 0 HCADRO CNC(=O)[C@H]1CN(CC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CCO1 ZINC000542919421 1080497235 /nfs/dbraw/zinc/49/72/35/1080497235.db2.gz IPIAJUDIEXKRBG-VQTJNVASSA-N 1 0 418.538 0.785 20 0 HCADRO CNC(=O)[C@H]1CN(CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CCO1 ZINC000542919422 1080497128 /nfs/dbraw/zinc/49/71/28/1080497128.db2.gz IPIAJUDIEXKRBG-WOJBJXKFSA-N 1 0 418.538 0.785 20 0 HCADRO c1cnnc(N2CCN(CC3(C[NH+]4CCN(c5cccnn5)CC4)COC3)CC2)c1 ZINC000542931722 1080515458 /nfs/dbraw/zinc/51/54/58/1080515458.db2.gz GNEYLSNIOZRVJR-UHFFFAOYSA-N 1 0 410.526 0.227 20 0 HCADRO O=S(=O)(NCC[NH2+]C1CCN(CCN2CCOCC2)CC1)c1cccs1 ZINC000542935740 1080519967 /nfs/dbraw/zinc/51/99/67/1080519967.db2.gz UOTRJFPXUMDMCM-UHFFFAOYSA-N 1 0 402.586 0.413 20 0 HCADRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000542941352 1080539963 /nfs/dbraw/zinc/53/99/63/1080539963.db2.gz DVTAJHWEUXTEDB-MRXNPFEDSA-N 1 0 401.504 0.655 20 0 HCADRO COCCn1nc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1=O ZINC000542941927 1080535124 /nfs/dbraw/zinc/53/51/24/1080535124.db2.gz HRLFEJAJMALKIB-GOSISDBHSA-N 1 0 400.479 0.776 20 0 HCADRO COCCn1nc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1=O ZINC000542941929 1080534944 /nfs/dbraw/zinc/53/49/44/1080534944.db2.gz HRLFEJAJMALKIB-SFHVURJKSA-N 1 0 400.479 0.776 20 0 HCADRO CCN(C(=O)C[NH2+][C@H](CO)C(C)(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000542941953 1080534978 /nfs/dbraw/zinc/53/49/78/1080534978.db2.gz IAMFQRBSMVFAEJ-OAHLLOKOSA-N 1 0 417.510 0.929 20 0 HCADRO C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@]1(CO)CCOC1 ZINC000542942134 1080538143 /nfs/dbraw/zinc/53/81/43/1080538143.db2.gz MOJXDMLXOZTVSL-GOSISDBHSA-N 1 0 400.497 0.170 20 0 HCADRO C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@]1(CO)CCOC1 ZINC000542942135 1080538217 /nfs/dbraw/zinc/53/82/17/1080538217.db2.gz MOJXDMLXOZTVSL-SFHVURJKSA-N 1 0 400.497 0.170 20 0 HCADRO COc1cccc(C(=O)NCC(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000542954183 1080561509 /nfs/dbraw/zinc/56/15/09/1080561509.db2.gz SCXKRQLNNQAPPJ-INIZCTEOSA-N 1 0 411.524 0.392 20 0 HCADRO COc1cccc(C(=O)NCC(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000542954263 1080561464 /nfs/dbraw/zinc/56/14/64/1080561464.db2.gz SCXKRQLNNQAPPJ-MRXNPFEDSA-N 1 0 411.524 0.392 20 0 HCADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000542973677 1080596246 /nfs/dbraw/zinc/59/62/46/1080596246.db2.gz FKMDLBXMEYHMJL-UHFFFAOYSA-N 1 0 413.471 0.541 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)CC1 ZINC000542978145 1080607822 /nfs/dbraw/zinc/60/78/22/1080607822.db2.gz XKHVZUNWMBHFAY-UHFFFAOYSA-N 1 0 415.487 0.787 20 0 HCADRO COC(=O)c1cc(F)cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000542978797 1080619262 /nfs/dbraw/zinc/61/92/62/1080619262.db2.gz AWLXQXKOCBYXFI-GFCCVEGCSA-N 1 0 401.460 0.478 20 0 HCADRO COC(=O)c1cc(F)cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000542978798 1080619584 /nfs/dbraw/zinc/61/95/84/1080619584.db2.gz AWLXQXKOCBYXFI-LBPRGKRZSA-N 1 0 401.460 0.478 20 0 HCADRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000542980341 1080636374 /nfs/dbraw/zinc/63/63/74/1080636374.db2.gz ILQRPVQQZMTNAG-UHFFFAOYSA-N 1 0 423.602 0.579 20 0 HCADRO CCN(CC)C(=O)CCC1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000542981000 1080635356 /nfs/dbraw/zinc/63/53/56/1080635356.db2.gz WFGHBAXMSQVIRB-UHFFFAOYSA-N 1 0 418.542 0.794 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C1(N2CCOCC2)CCC1 ZINC000542984028 1080668852 /nfs/dbraw/zinc/66/88/52/1080668852.db2.gz GNSOSURTLISCOI-UHFFFAOYSA-N 1 0 402.543 0.750 20 0 HCADRO COCCn1cc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c(C)n1 ZINC000542984169 1080674029 /nfs/dbraw/zinc/67/40/29/1080674029.db2.gz JCMHOOCOBCPQJB-UHFFFAOYSA-N 1 0 401.515 0.960 20 0 HCADRO COc1ncncc1NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000542992740 1080757934 /nfs/dbraw/zinc/75/79/34/1080757934.db2.gz NZZWGUZAYMSDAG-UHFFFAOYSA-N 1 0 406.487 0.167 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)c3OC)CC2)c1 ZINC000542994871 1080764410 /nfs/dbraw/zinc/76/44/10/1080764410.db2.gz QZDGDUOTKGCFPQ-UHFFFAOYSA-N 1 0 413.434 0.485 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 ZINC000542998080 1080779788 /nfs/dbraw/zinc/77/97/88/1080779788.db2.gz IVPVRENEPFGMHP-UHFFFAOYSA-N 1 0 411.466 0.177 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2OC)[C@H](C)C1 ZINC000542999749 1080784697 /nfs/dbraw/zinc/78/46/97/1080784697.db2.gz MPVBXEGNALTLGW-GDBMZVCRSA-N 1 0 420.510 0.986 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2OC)[C@@H](C)C1 ZINC000542999751 1080785435 /nfs/dbraw/zinc/78/54/35/1080785435.db2.gz MPVBXEGNALTLGW-GOEBONIOSA-N 1 0 420.510 0.986 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2OC)[C@@H](C)C1 ZINC000542999752 1080785311 /nfs/dbraw/zinc/78/53/11/1080785311.db2.gz MPVBXEGNALTLGW-HOCLYGCPSA-N 1 0 420.510 0.986 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2OC)[C@H](C)C1 ZINC000542999754 1080785550 /nfs/dbraw/zinc/78/55/50/1080785550.db2.gz MPVBXEGNALTLGW-ZBFHGGJFSA-N 1 0 420.510 0.986 20 0 HCADRO COc1c(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cccc1C(N)=O ZINC000543002015 1080790626 /nfs/dbraw/zinc/79/06/26/1080790626.db2.gz YKHLCZOXYLGDLN-UHFFFAOYSA-N 1 0 404.467 0.303 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 ZINC000543002525 1080789978 /nfs/dbraw/zinc/78/99/78/1080789978.db2.gz DZEGHIZSLFDGHM-INIZCTEOSA-N 1 0 411.466 0.175 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 ZINC000543002526 1080790058 /nfs/dbraw/zinc/79/00/58/1080790058.db2.gz DZEGHIZSLFDGHM-MRXNPFEDSA-N 1 0 411.466 0.175 20 0 HCADRO COc1ncncc1NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000543002679 1080790079 /nfs/dbraw/zinc/79/00/79/1080790079.db2.gz MOLAAYSBESZIPK-UHFFFAOYSA-N 1 0 400.439 0.032 20 0 HCADRO COc1c(NC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)cccc1C(N)=O ZINC000543003447 1080790452 /nfs/dbraw/zinc/79/04/52/1080790452.db2.gz SVRUBPDBZWKPTG-UHFFFAOYSA-N 1 0 406.483 0.738 20 0 HCADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000543008158 1080806953 /nfs/dbraw/zinc/80/69/53/1080806953.db2.gz WZTKYNIKQUOSRY-UHFFFAOYSA-N 1 0 419.530 0.610 20 0 HCADRO O=C(Cn1cnc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)n1)N1CCCCCC1 ZINC000543008395 1080806471 /nfs/dbraw/zinc/80/64/71/1080806471.db2.gz ZDJNKBAKOQYQML-UHFFFAOYSA-N 1 0 419.530 0.611 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2cncnc2OC)[NH+](C)C)cc1OC ZINC000543009930 1080806904 /nfs/dbraw/zinc/80/69/04/1080806904.db2.gz ZVWBGYSHCHYAPH-AWEZNQCLSA-N 1 0 403.439 0.860 20 0 HCADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cncnc2OC)[NH+](C)C)cc1OC ZINC000543009931 1080806997 /nfs/dbraw/zinc/80/69/97/1080806997.db2.gz ZVWBGYSHCHYAPH-CQSZACIVSA-N 1 0 403.439 0.860 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)Nc3c[nH]nc3-c3ccccn3)ccn2)CC1 ZINC000543012940 1080812680 /nfs/dbraw/zinc/81/26/80/1080812680.db2.gz WHQNHKRZKRAFDX-UHFFFAOYSA-N 1 0 420.477 0.873 20 0 HCADRO COc1ncncc1NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000543013376 1080814398 /nfs/dbraw/zinc/81/43/98/1080814398.db2.gz BAVHQHPZWUGGQK-GOSISDBHSA-N 1 0 412.494 0.919 20 0 HCADRO COc1ncncc1NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000543013380 1080814479 /nfs/dbraw/zinc/81/44/79/1080814479.db2.gz BAVHQHPZWUGGQK-SFHVURJKSA-N 1 0 412.494 0.919 20 0 HCADRO CC[NH+](CC)CCN(C(=O)c1cn(CCOC)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000543016202 1080817658 /nfs/dbraw/zinc/81/76/58/1080817658.db2.gz JSAIMJQVXZKRLG-INIZCTEOSA-N 1 0 400.545 0.809 20 0 HCADRO CC[NH+](CC)CCN(C(=O)c1cn(CCOC)nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000543016207 1080817746 /nfs/dbraw/zinc/81/77/46/1080817746.db2.gz JSAIMJQVXZKRLG-MRXNPFEDSA-N 1 0 400.545 0.809 20 0 HCADRO Cc1nnc(CN(C)CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1C ZINC000543020351 1080821000 /nfs/dbraw/zinc/82/10/00/1080821000.db2.gz CGTALUIJONAPRG-IBGZPJMESA-N 1 0 400.527 0.828 20 0 HCADRO Cc1nnc(CN(C)CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1C ZINC000543020352 1080821058 /nfs/dbraw/zinc/82/10/58/1080821058.db2.gz CGTALUIJONAPRG-LJQANCHMSA-N 1 0 400.527 0.828 20 0 HCADRO NC(=O)c1cnn2c1nccc2C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000543021094 1080826303 /nfs/dbraw/zinc/82/63/03/1080826303.db2.gz SAGAZKKONRQTFI-INIZCTEOSA-N 1 0 408.462 0.715 20 0 HCADRO NC(=O)c1cnn2c1nccc2C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000543021096 1080826324 /nfs/dbraw/zinc/82/63/24/1080826324.db2.gz SAGAZKKONRQTFI-MRXNPFEDSA-N 1 0 408.462 0.715 20 0 HCADRO CC[NH+](CC)CCCC1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000543023210 1080829434 /nfs/dbraw/zinc/82/94/34/1080829434.db2.gz FLRRQOULUJWUNI-UHFFFAOYSA-N 1 0 402.605 0.924 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000543026865 1080831028 /nfs/dbraw/zinc/83/10/28/1080831028.db2.gz YWZRWWJEEZRPFF-INIZCTEOSA-N 1 0 424.567 0.857 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000543026866 1080830996 /nfs/dbraw/zinc/83/09/96/1080830996.db2.gz YWZRWWJEEZRPFF-MRXNPFEDSA-N 1 0 424.567 0.857 20 0 HCADRO COc1c(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cccc1C(N)=O ZINC000543034091 1080842207 /nfs/dbraw/zinc/84/22/07/1080842207.db2.gz IVYQQGLBURPYBD-UHFFFAOYSA-N 1 0 404.467 0.494 20 0 HCADRO COCCC[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000543039780 1080850020 /nfs/dbraw/zinc/85/00/20/1080850020.db2.gz AQBNMTJTHIMOCX-KRWDZBQOSA-N 1 0 406.531 0.711 20 0 HCADRO COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000543039782 1080849967 /nfs/dbraw/zinc/84/99/67/1080849967.db2.gz AQBNMTJTHIMOCX-QGZVFWFLSA-N 1 0 406.531 0.711 20 0 HCADRO Cn1ccnc1CN1CCC[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1=O ZINC000543043253 1080853398 /nfs/dbraw/zinc/85/33/98/1080853398.db2.gz OGQSTDJREUZUGC-KRWDZBQOSA-N 1 0 405.547 0.236 20 0 HCADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1=O ZINC000543043254 1080853356 /nfs/dbraw/zinc/85/33/56/1080853356.db2.gz OGQSTDJREUZUGC-QGZVFWFLSA-N 1 0 405.547 0.236 20 0 HCADRO C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)C[NH+]1CCN(C)CC1 ZINC000543043540 1080853250 /nfs/dbraw/zinc/85/32/50/1080853250.db2.gz ARELACDHCSPNHI-DLBZAZTESA-N 1 0 405.547 0.094 20 0 HCADRO C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)C[NH+]1CCN(C)CC1 ZINC000543043541 1080853402 /nfs/dbraw/zinc/85/34/02/1080853402.db2.gz ARELACDHCSPNHI-IAGOWNOFSA-N 1 0 405.547 0.094 20 0 HCADRO C[C@@H](CNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)C[NH+]1CCN(C)CC1 ZINC000543043542 1080853432 /nfs/dbraw/zinc/85/34/32/1080853432.db2.gz ARELACDHCSPNHI-IRXDYDNUSA-N 1 0 405.547 0.094 20 0 HCADRO C[C@H](CNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)C[NH+]1CCN(C)CC1 ZINC000543043543 1080853304 /nfs/dbraw/zinc/85/33/04/1080853304.db2.gz ARELACDHCSPNHI-SJORKVTESA-N 1 0 405.547 0.094 20 0 HCADRO Cc1cc(C)nc(N2CCN(C(=O)NCCCC[NH+]3CCN(CCO)CC3)CC2)n1 ZINC000543045210 1080857296 /nfs/dbraw/zinc/85/72/96/1080857296.db2.gz JPGZIRKMKJUERW-UHFFFAOYSA-N 1 0 419.574 0.315 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000543050315 1080864493 /nfs/dbraw/zinc/86/44/93/1080864493.db2.gz OEOOVSPBPHUIIF-INIZCTEOSA-N 1 0 406.531 0.446 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000543050317 1080864440 /nfs/dbraw/zinc/86/44/40/1080864440.db2.gz OEOOVSPBPHUIIF-MRXNPFEDSA-N 1 0 406.531 0.446 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000543050730 1080859407 /nfs/dbraw/zinc/85/94/07/1080859407.db2.gz VOEOIYOJLJASDM-GOSISDBHSA-N 1 0 419.574 0.579 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000543050738 1080861173 /nfs/dbraw/zinc/86/11/73/1080861173.db2.gz VOEOIYOJLJASDM-SFHVURJKSA-N 1 0 419.574 0.579 20 0 HCADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000543051329 1080866291 /nfs/dbraw/zinc/86/62/91/1080866291.db2.gz DGAYSHFESGEBLB-GOSISDBHSA-N 1 0 418.542 0.665 20 0 HCADRO Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000543051330 1080866693 /nfs/dbraw/zinc/86/66/93/1080866693.db2.gz DGAYSHFESGEBLB-SFHVURJKSA-N 1 0 418.542 0.665 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2)c2ccccc2)CC1 ZINC000543054100 1080862299 /nfs/dbraw/zinc/86/22/99/1080862299.db2.gz GGRGKFDNAYWLPL-IBGZPJMESA-N 1 0 409.490 0.829 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2)c2ccccc2)CC1 ZINC000543054101 1080862235 /nfs/dbraw/zinc/86/22/35/1080862235.db2.gz GGRGKFDNAYWLPL-LJQANCHMSA-N 1 0 409.490 0.829 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)c2ccccc2)CC1 ZINC000543054656 1080862964 /nfs/dbraw/zinc/86/29/64/1080862964.db2.gz NVIDAVPRSOFUFR-FQEVSTJZSA-N 1 0 423.517 0.758 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)c2ccccc2)CC1 ZINC000543054659 1080862938 /nfs/dbraw/zinc/86/29/38/1080862938.db2.gz NVIDAVPRSOFUFR-HXUWFJFHSA-N 1 0 423.517 0.758 20 0 HCADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1=O ZINC000543054866 1080862975 /nfs/dbraw/zinc/86/29/75/1080862975.db2.gz LRBDEAZHONMOKX-KRWDZBQOSA-N 1 0 412.494 0.728 20 0 HCADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1=O ZINC000543054867 1080862904 /nfs/dbraw/zinc/86/29/04/1080862904.db2.gz LRBDEAZHONMOKX-QGZVFWFLSA-N 1 0 412.494 0.728 20 0 HCADRO CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1F ZINC000543056492 1080869268 /nfs/dbraw/zinc/86/92/68/1080869268.db2.gz KBRWMVUYGAAXDG-GOSISDBHSA-N 1 0 407.450 0.427 20 0 HCADRO CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1F ZINC000543056493 1080869337 /nfs/dbraw/zinc/86/93/37/1080869337.db2.gz KBRWMVUYGAAXDG-SFHVURJKSA-N 1 0 407.450 0.427 20 0 HCADRO Cc1cc(NC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cn(C)c1=O ZINC000543056694 1080869288 /nfs/dbraw/zinc/86/92/88/1080869288.db2.gz UJWUQIBNZZNDFM-IBGZPJMESA-N 1 0 411.506 0.737 20 0 HCADRO Cc1cc(NC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cn(C)c1=O ZINC000543056698 1080869189 /nfs/dbraw/zinc/86/91/89/1080869189.db2.gz UJWUQIBNZZNDFM-LJQANCHMSA-N 1 0 411.506 0.737 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(CCCn3ccnc3)CC2)CC1 ZINC000543060344 1080870790 /nfs/dbraw/zinc/87/07/90/1080870790.db2.gz CIMFUIVEJMWEKE-UHFFFAOYSA-N 1 0 404.559 0.608 20 0 HCADRO COC(=O)COc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 ZINC000543065949 1080872750 /nfs/dbraw/zinc/87/27/50/1080872750.db2.gz BZQGVSZUQVBHRD-UHFFFAOYSA-N 1 0 422.507 0.915 20 0 HCADRO COC(=O)c1ncsc1S(=O)(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000543071058 1080873546 /nfs/dbraw/zinc/87/35/46/1080873546.db2.gz RVULUMQCXMHJOV-CYBMUJFWSA-N 1 0 402.542 0.720 20 0 HCADRO COC(=O)c1ncsc1S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000543071059 1080873503 /nfs/dbraw/zinc/87/35/03/1080873503.db2.gz RVULUMQCXMHJOV-ZDUSSCGKSA-N 1 0 402.542 0.720 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nccc3c2cccc3S(N)(=O)=O)C1 ZINC000543090583 1080894366 /nfs/dbraw/zinc/89/43/66/1080894366.db2.gz WQWSJXJRXZSLAJ-AWEZNQCLSA-N 1 0 406.508 0.969 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nccc3c2cccc3S(N)(=O)=O)C1 ZINC000543090584 1080894353 /nfs/dbraw/zinc/89/43/53/1080894353.db2.gz WQWSJXJRXZSLAJ-CQSZACIVSA-N 1 0 406.508 0.969 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2nccc3c2cccc3S(N)(=O)=O)CC1 ZINC000543101760 1080911731 /nfs/dbraw/zinc/91/17/31/1080911731.db2.gz APGJPTJBHMRDOE-UHFFFAOYSA-N 1 0 406.508 0.847 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000543103087 1080914825 /nfs/dbraw/zinc/91/48/25/1080914825.db2.gz AHIBRCMVZBKMGP-UHFFFAOYSA-N 1 0 408.293 0.983 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)CC1 ZINC000543103802 1080915012 /nfs/dbraw/zinc/91/50/12/1080915012.db2.gz UDXTVAWBCAPNIH-UHFFFAOYSA-N 1 0 406.508 0.801 20 0 HCADRO Cn1ccnc1CN1CCC[C@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000543107835 1080919788 /nfs/dbraw/zinc/91/97/88/1080919788.db2.gz CXVLPVVFKNRUQI-AVRDEDQJSA-N 1 0 411.506 0.664 20 0 HCADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000543107838 1080919910 /nfs/dbraw/zinc/91/99/10/1080919910.db2.gz CXVLPVVFKNRUQI-GCJKJVERSA-N 1 0 411.506 0.664 20 0 HCADRO Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000543107841 1080919577 /nfs/dbraw/zinc/91/95/77/1080919577.db2.gz CXVLPVVFKNRUQI-PGRDOPGGSA-N 1 0 411.506 0.664 20 0 HCADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000543107844 1080919320 /nfs/dbraw/zinc/91/93/20/1080919320.db2.gz CXVLPVVFKNRUQI-XMSQKQJNSA-N 1 0 411.506 0.664 20 0 HCADRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000543108631 1080924389 /nfs/dbraw/zinc/92/43/89/1080924389.db2.gz XGBDXFNEZZMIMB-BMGDILEWSA-N 1 0 411.524 0.500 20 0 HCADRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000543108635 1080924579 /nfs/dbraw/zinc/92/45/79/1080924579.db2.gz XGBDXFNEZZMIMB-JCGIZDLHSA-N 1 0 411.524 0.500 20 0 HCADRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000543108639 1080924232 /nfs/dbraw/zinc/92/42/32/1080924232.db2.gz XGBDXFNEZZMIMB-QGTPRVQTSA-N 1 0 411.524 0.500 20 0 HCADRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000543108643 1080924157 /nfs/dbraw/zinc/92/41/57/1080924157.db2.gz XGBDXFNEZZMIMB-WBAXXEDZSA-N 1 0 411.524 0.500 20 0 HCADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000543110444 1080928081 /nfs/dbraw/zinc/92/80/81/1080928081.db2.gz CRCDTTRJOKUIMN-CYBMUJFWSA-N 1 0 415.478 0.770 20 0 HCADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000543110445 1080928963 /nfs/dbraw/zinc/92/89/63/1080928963.db2.gz CRCDTTRJOKUIMN-ZDUSSCGKSA-N 1 0 415.478 0.770 20 0 HCADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000543113885 1080934063 /nfs/dbraw/zinc/93/40/63/1080934063.db2.gz QEHCUBPJVXVQMA-HNNXBMFYSA-N 1 0 417.572 0.828 20 0 HCADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000543113891 1080933938 /nfs/dbraw/zinc/93/39/38/1080933938.db2.gz QEHCUBPJVXVQMA-OAHLLOKOSA-N 1 0 417.572 0.828 20 0 HCADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000543114459 1080936346 /nfs/dbraw/zinc/93/63/46/1080936346.db2.gz JJTDBAZJGHCKHZ-GDBMZVCRSA-N 1 0 403.545 0.580 20 0 HCADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000543114460 1080936154 /nfs/dbraw/zinc/93/61/54/1080936154.db2.gz JJTDBAZJGHCKHZ-GOEBONIOSA-N 1 0 403.545 0.580 20 0 HCADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000543114461 1080936318 /nfs/dbraw/zinc/93/63/18/1080936318.db2.gz JJTDBAZJGHCKHZ-HOCLYGCPSA-N 1 0 403.545 0.580 20 0 HCADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000543114463 1080936029 /nfs/dbraw/zinc/93/60/29/1080936029.db2.gz JJTDBAZJGHCKHZ-ZBFHGGJFSA-N 1 0 403.545 0.580 20 0 HCADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000543127965 1080958107 /nfs/dbraw/zinc/95/81/07/1080958107.db2.gz DHDHQGDVWWPPSW-INIZCTEOSA-N 1 0 411.572 0.816 20 0 HCADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000543127966 1080958340 /nfs/dbraw/zinc/95/83/40/1080958340.db2.gz DHDHQGDVWWPPSW-MRXNPFEDSA-N 1 0 411.572 0.816 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H](Cc3ccc(F)cc3)C(N)=O)CC2)cn1 ZINC000543163476 1081011241 /nfs/dbraw/zinc/01/12/41/1081011241.db2.gz JJFSMLPMEDXQLN-KRWDZBQOSA-N 1 0 409.487 0.399 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H](Cc3ccc(F)cc3)C(N)=O)CC2)cn1 ZINC000543163477 1081011112 /nfs/dbraw/zinc/01/11/12/1081011112.db2.gz JJFSMLPMEDXQLN-QGZVFWFLSA-N 1 0 409.487 0.399 20 0 HCADRO CC(=O)NC1CCC([N@H+](C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000543171790 1081017247 /nfs/dbraw/zinc/01/72/47/1081017247.db2.gz HMYDFKWSNPBXRH-UHFFFAOYSA-N 1 0 410.540 0.372 20 0 HCADRO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c(=O)[nH]c1=O ZINC000543171839 1081017292 /nfs/dbraw/zinc/01/72/92/1081017292.db2.gz ITIJGJRKYSJPGN-KKUMJFAQSA-N 1 0 423.514 0.013 20 0 HCADRO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(=O)[nH]c1=O ZINC000543171841 1081017158 /nfs/dbraw/zinc/01/71/58/1081017158.db2.gz ITIJGJRKYSJPGN-RRFJBIMHSA-N 1 0 423.514 0.013 20 0 HCADRO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(=O)[nH]c1=O ZINC000543171844 1081017319 /nfs/dbraw/zinc/01/73/19/1081017319.db2.gz ITIJGJRKYSJPGN-SOUVJXGZSA-N 1 0 423.514 0.013 20 0 HCADRO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(=O)[nH]c1=O ZINC000543171848 1081017094 /nfs/dbraw/zinc/01/70/94/1081017094.db2.gz ITIJGJRKYSJPGN-ZNMIVQPWSA-N 1 0 423.514 0.013 20 0 HCADRO CC(=O)NC1CCC([N@@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000543174183 1081019674 /nfs/dbraw/zinc/01/96/74/1081019674.db2.gz SUSRFDHUZKVEEW-UHFFFAOYSA-N 1 0 407.515 0.347 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CCCCS1(=O)=O ZINC000543176689 1081020244 /nfs/dbraw/zinc/02/02/44/1081020244.db2.gz IGASMULOELISBH-KRWDZBQOSA-N 1 0 424.571 0.645 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CCCCS1(=O)=O ZINC000543176690 1081020212 /nfs/dbraw/zinc/02/02/12/1081020212.db2.gz IGASMULOELISBH-QGZVFWFLSA-N 1 0 424.571 0.645 20 0 HCADRO O=C(CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000543177230 1081020675 /nfs/dbraw/zinc/02/06/75/1081020675.db2.gz SJRSCMRNOHDKPP-IPELMVKDSA-N 1 0 404.486 0.611 20 0 HCADRO O=C(CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000543177235 1081020379 /nfs/dbraw/zinc/02/03/79/1081020379.db2.gz SJRSCMRNOHDKPP-KFKAGJAMSA-N 1 0 404.486 0.611 20 0 HCADRO O=C(CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000543177238 1081020448 /nfs/dbraw/zinc/02/04/48/1081020448.db2.gz SJRSCMRNOHDKPP-SNRMKQJTSA-N 1 0 404.486 0.611 20 0 HCADRO O=C(CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000543177241 1081020541 /nfs/dbraw/zinc/02/05/41/1081020541.db2.gz SJRSCMRNOHDKPP-ZYSHUDEJSA-N 1 0 404.486 0.611 20 0 HCADRO CC(=O)NC1CCC([N@H+](C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000543177908 1081020723 /nfs/dbraw/zinc/02/07/23/1081020723.db2.gz MDTNUUFZZQPVOI-UHFFFAOYSA-N 1 0 408.524 0.602 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)CC2)cc1 ZINC000543178628 1081020908 /nfs/dbraw/zinc/02/09/08/1081020908.db2.gz SFJCEIUIMOZDOU-QGZVKYPTSA-N 1 0 421.563 0.919 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)CC2)cc1 ZINC000543178630 1081021035 /nfs/dbraw/zinc/02/10/35/1081021035.db2.gz SFJCEIUIMOZDOU-RAUXBKROSA-N 1 0 421.563 0.919 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)CC2)cc1 ZINC000543178631 1081020970 /nfs/dbraw/zinc/02/09/70/1081020970.db2.gz SFJCEIUIMOZDOU-XEYPJELSSA-N 1 0 421.563 0.919 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)CC2)cc1 ZINC000543178632 1081021012 /nfs/dbraw/zinc/02/10/12/1081021012.db2.gz SFJCEIUIMOZDOU-ZULIPRJHSA-N 1 0 421.563 0.919 20 0 HCADRO CC(C)CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000543181914 1081023003 /nfs/dbraw/zinc/02/30/03/1081023003.db2.gz QEYMNLNIWBTDKY-ARFHVFGLSA-N 1 0 421.542 0.879 20 0 HCADRO CC(C)CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000543181920 1081022820 /nfs/dbraw/zinc/02/28/20/1081022820.db2.gz QEYMNLNIWBTDKY-HRCADAONSA-N 1 0 421.542 0.879 20 0 HCADRO CC(C)CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000543181923 1081022612 /nfs/dbraw/zinc/02/26/12/1081022612.db2.gz QEYMNLNIWBTDKY-JYJNAYRXSA-N 1 0 421.542 0.879 20 0 HCADRO CC(C)CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000543181925 1081022869 /nfs/dbraw/zinc/02/28/69/1081022869.db2.gz QEYMNLNIWBTDKY-XHSDSOJGSA-N 1 0 421.542 0.879 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000543182171 1081023459 /nfs/dbraw/zinc/02/34/59/1081023459.db2.gz SAFHZDNYQDTMMO-LVFSCSRESA-N 1 0 423.535 0.737 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000543182172 1081023361 /nfs/dbraw/zinc/02/33/61/1081023361.db2.gz SAFHZDNYQDTMMO-OHQAAIJDSA-N 1 0 423.535 0.737 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000543182173 1081023248 /nfs/dbraw/zinc/02/32/48/1081023248.db2.gz SAFHZDNYQDTMMO-PDWMJMLSSA-N 1 0 423.535 0.737 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000543182174 1081023227 /nfs/dbraw/zinc/02/32/27/1081023227.db2.gz SAFHZDNYQDTMMO-WTLGNFPFSA-N 1 0 423.535 0.737 20 0 HCADRO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000543182309 1081023827 /nfs/dbraw/zinc/02/38/27/1081023827.db2.gz ZHFZTWQPOGTQJQ-CGTJXYLNSA-N 1 0 423.535 0.657 20 0 HCADRO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000543182310 1081024397 /nfs/dbraw/zinc/02/43/97/1081024397.db2.gz ZHFZTWQPOGTQJQ-JQHSSLGASA-N 1 0 423.535 0.657 20 0 HCADRO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000543182311 1081024559 /nfs/dbraw/zinc/02/45/59/1081024559.db2.gz ZHFZTWQPOGTQJQ-RYQLBKOJSA-N 1 0 423.535 0.657 20 0 HCADRO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000543182312 1081024634 /nfs/dbraw/zinc/02/46/34/1081024634.db2.gz ZHFZTWQPOGTQJQ-SZMVWBNQSA-N 1 0 423.535 0.657 20 0 HCADRO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000543182755 1081023929 /nfs/dbraw/zinc/02/39/29/1081023929.db2.gz XKQKNUCCVXFVJQ-BMGDILEWSA-N 1 0 409.508 0.349 20 0 HCADRO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000543182756 1081024054 /nfs/dbraw/zinc/02/40/54/1081024054.db2.gz XKQKNUCCVXFVJQ-JCGIZDLHSA-N 1 0 409.508 0.349 20 0 HCADRO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000543182757 1081023880 /nfs/dbraw/zinc/02/38/80/1081023880.db2.gz XKQKNUCCVXFVJQ-QGTPRVQTSA-N 1 0 409.508 0.349 20 0 HCADRO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000543182758 1081023994 /nfs/dbraw/zinc/02/39/94/1081023994.db2.gz XKQKNUCCVXFVJQ-WBAXXEDZSA-N 1 0 409.508 0.349 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CCCCS2(=O)=O)c1 ZINC000543184125 1081024378 /nfs/dbraw/zinc/02/43/78/1081024378.db2.gz XXKNTPFMEVOANJ-KRWDZBQOSA-N 1 0 410.540 0.745 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCCCS2(=O)=O)c1 ZINC000543184131 1081024343 /nfs/dbraw/zinc/02/43/43/1081024343.db2.gz XXKNTPFMEVOANJ-QGZVFWFLSA-N 1 0 410.540 0.745 20 0 HCADRO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCCS1(=O)=O ZINC000543193481 1081035779 /nfs/dbraw/zinc/03/57/79/1081035779.db2.gz CKSNDXCEMOCDDJ-GOSISDBHSA-N 1 0 409.556 0.860 20 0 HCADRO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCCS1(=O)=O ZINC000543193482 1081035859 /nfs/dbraw/zinc/03/58/59/1081035859.db2.gz CKSNDXCEMOCDDJ-SFHVURJKSA-N 1 0 409.556 0.860 20 0 HCADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000543209041 1081044083 /nfs/dbraw/zinc/04/40/83/1081044083.db2.gz XWNYLYSLCFMYLU-CHWSQXEVSA-N 1 0 411.446 0.950 20 0 HCADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000543209042 1081044219 /nfs/dbraw/zinc/04/42/19/1081044219.db2.gz XWNYLYSLCFMYLU-OLZOCXBDSA-N 1 0 411.446 0.950 20 0 HCADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000543209043 1081044276 /nfs/dbraw/zinc/04/42/76/1081044276.db2.gz XWNYLYSLCFMYLU-QWHCGFSZSA-N 1 0 411.446 0.950 20 0 HCADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000543209044 1081044328 /nfs/dbraw/zinc/04/43/28/1081044328.db2.gz XWNYLYSLCFMYLU-STQMWFEESA-N 1 0 411.446 0.950 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)cc21 ZINC000543216422 1081052468 /nfs/dbraw/zinc/05/24/68/1081052468.db2.gz SPKWREOCFUHPCF-BJJXKVORSA-N 1 0 402.451 0.324 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)cc21 ZINC000543216425 1081052486 /nfs/dbraw/zinc/05/24/86/1081052486.db2.gz SPKWREOCFUHPCF-DUVNUKRYSA-N 1 0 402.451 0.324 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)cc21 ZINC000543216427 1081052390 /nfs/dbraw/zinc/05/23/90/1081052390.db2.gz SPKWREOCFUHPCF-JGGQBBKZSA-N 1 0 402.451 0.324 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)cc21 ZINC000543216429 1081052904 /nfs/dbraw/zinc/05/29/04/1081052904.db2.gz SPKWREOCFUHPCF-NOLJZWGESA-N 1 0 402.451 0.324 20 0 HCADRO Cc1ccnn1-c1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000543217750 1081048898 /nfs/dbraw/zinc/04/88/98/1081048898.db2.gz HVYVAQFTDBIZOJ-INIZCTEOSA-N 1 0 412.494 0.823 20 0 HCADRO Cc1ccnn1-c1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000543217751 1081048725 /nfs/dbraw/zinc/04/87/25/1081048725.db2.gz HVYVAQFTDBIZOJ-MRXNPFEDSA-N 1 0 412.494 0.823 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2-c2nnnn2C(C)C)C1 ZINC000543218568 1081049751 /nfs/dbraw/zinc/04/97/51/1081049751.db2.gz DWMJZAZILHYRCC-AWEZNQCLSA-N 1 0 401.471 0.696 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2-c2nnnn2C(C)C)C1 ZINC000543218569 1081049597 /nfs/dbraw/zinc/04/95/97/1081049597.db2.gz DWMJZAZILHYRCC-CQSZACIVSA-N 1 0 401.471 0.696 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)ccc1-n1nnnc1C(C)C ZINC000543218955 1081049630 /nfs/dbraw/zinc/04/96/30/1081049630.db2.gz KAALOXSKVXANNQ-UHFFFAOYSA-N 1 0 415.498 0.606 20 0 HCADRO CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000543219498 1081050969 /nfs/dbraw/zinc/05/09/69/1081050969.db2.gz RGBRXHCQXPVKCO-UHFFFAOYSA-N 1 0 401.471 0.432 20 0 HCADRO CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000543221101 1081051102 /nfs/dbraw/zinc/05/11/02/1081051102.db2.gz JMCWPKODEWGFFW-HNNXBMFYSA-N 1 0 414.514 0.612 20 0 HCADRO CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000543221103 1081051052 /nfs/dbraw/zinc/05/10/52/1081051052.db2.gz JMCWPKODEWGFFW-OAHLLOKOSA-N 1 0 414.514 0.612 20 0 HCADRO CC(C)(C)n1cnc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000543221139 1081051074 /nfs/dbraw/zinc/05/10/74/1081051074.db2.gz HJCDGVLTEZGENJ-DLBZAZTESA-N 1 0 414.510 0.971 20 0 HCADRO 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CKFTZWZORGCKPX-BRWVUGGUSA-N 1 0 407.511 0.236 20 0 HCADRO C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000543296014 1081091232 /nfs/dbraw/zinc/09/12/32/1081091232.db2.gz CKFTZWZORGCKPX-IKGGRYGDSA-N 1 0 407.511 0.236 20 0 HCADRO C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000543296019 1081091125 /nfs/dbraw/zinc/09/11/25/1081091125.db2.gz CKFTZWZORGCKPX-YESZJQIVSA-N 1 0 407.511 0.236 20 0 HCADRO C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000543296022 1081090997 /nfs/dbraw/zinc/09/09/97/1081090997.db2.gz CKFTZWZORGCKPX-ZACQAIPSSA-N 1 0 407.511 0.236 20 0 HCADRO O=C(COc1ccc2c(c1)CCC(=O)N2)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000543296221 1081091091 /nfs/dbraw/zinc/09/10/91/1081091091.db2.gz BWSMCIOMNUNTLV-UHFFFAOYSA-N 1 0 403.479 0.636 20 0 HCADRO O=C(c1cc(F)ccc1N1CCOCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000543296259 1081097722 /nfs/dbraw/zinc/09/77/22/1081097722.db2.gz CJPJVMISDQPXOE-UHFFFAOYSA-N 1 0 407.486 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CC[C@H](CNC(=O)C(=O)N[C@@H](C)CN1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000556068821 1078401825 /nfs/dbraw/zinc/40/18/25/1078401825.db2.gz ZFBLGXOMKFEVIZ-FXAWDEMLSA-N 1 0 402.539 0.776 20 0 HCADRO CC[C@@H](CNC(=O)C(=O)N[C@@H](C)CN1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000556068823 1078401625 /nfs/dbraw/zinc/40/16/25/1078401625.db2.gz ZFBLGXOMKFEVIZ-PXNSSMCTSA-N 1 0 402.539 0.776 20 0 HCADRO CC[C@@H](CNC(=O)C(=O)N[C@H](C)CN1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000556068825 1078401801 /nfs/dbraw/zinc/40/18/01/1078401801.db2.gz ZFBLGXOMKFEVIZ-XLIONFOSSA-N 1 0 402.539 0.776 20 0 HCADRO CC[C@H](CNC(=O)C(=O)N[C@H](C)CN1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000556068827 1078401676 /nfs/dbraw/zinc/40/16/76/1078401676.db2.gz ZFBLGXOMKFEVIZ-YLJYHZDGSA-N 1 0 402.539 0.776 20 0 HCADRO CC[C@@H](CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000556068941 1078401751 /nfs/dbraw/zinc/40/17/51/1078401751.db2.gz KFCXOYZQCLFIFN-APWZRJJASA-N 1 0 415.538 0.846 20 0 HCADRO CC[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000556068942 1078401867 /nfs/dbraw/zinc/40/18/67/1078401867.db2.gz KFCXOYZQCLFIFN-LPHOPBHVSA-N 1 0 415.538 0.846 20 0 HCADRO CC[C@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000556068943 1078401727 /nfs/dbraw/zinc/40/17/27/1078401727.db2.gz KFCXOYZQCLFIFN-QFBILLFUSA-N 1 0 415.538 0.846 20 0 HCADRO CC[C@H](CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000556068944 1078401707 /nfs/dbraw/zinc/40/17/07/1078401707.db2.gz KFCXOYZQCLFIFN-VQIMIIECSA-N 1 0 415.538 0.846 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000556069149 1078404264 /nfs/dbraw/zinc/40/42/64/1078404264.db2.gz OKWBCLNFOJUJDU-INIZCTEOSA-N 1 0 416.519 0.332 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000556069150 1078404302 /nfs/dbraw/zinc/40/43/02/1078404302.db2.gz OKWBCLNFOJUJDU-MRXNPFEDSA-N 1 0 416.519 0.332 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 ZINC000556069658 1078402066 /nfs/dbraw/zinc/40/20/66/1078402066.db2.gz CQTIUXYHEZYOLV-KRWDZBQOSA-N 1 0 418.448 0.823 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 ZINC000556069661 1078402200 /nfs/dbraw/zinc/40/22/00/1078402200.db2.gz CQTIUXYHEZYOLV-QGZVFWFLSA-N 1 0 418.448 0.823 20 0 HCADRO CCn1nccc1CN(CCO)C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000556069700 1078402096 /nfs/dbraw/zinc/40/20/96/1078402096.db2.gz VSCXTOYLEOSPAJ-GOSISDBHSA-N 1 0 405.474 0.782 20 0 HCADRO CCn1nccc1CN(CCO)C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000556069702 1078402688 /nfs/dbraw/zinc/40/26/88/1078402688.db2.gz VSCXTOYLEOSPAJ-SFHVURJKSA-N 1 0 405.474 0.782 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1)c1ccc(F)cc1 ZINC000556070592 1078405847 /nfs/dbraw/zinc/40/58/47/1078405847.db2.gz KFENZHWJSCJZET-KRWDZBQOSA-N 1 0 402.474 0.612 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1)c1ccc(F)cc1 ZINC000556070593 1078405860 /nfs/dbraw/zinc/40/58/60/1078405860.db2.gz KFENZHWJSCJZET-QGZVFWFLSA-N 1 0 402.474 0.612 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCN(CCOC)C(=O)C1)c1ccsc1 ZINC000556070894 1078414248 /nfs/dbraw/zinc/41/42/48/1078414248.db2.gz MGAFCSSCGCKZGB-KRWDZBQOSA-N 1 0 424.567 0.955 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCN(CCOC)C(=O)C1)c1ccsc1 ZINC000556070896 1078414445 /nfs/dbraw/zinc/41/44/45/1078414445.db2.gz MGAFCSSCGCKZGB-QGZVFWFLSA-N 1 0 424.567 0.955 20 0 HCADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC000556071163 1078407652 /nfs/dbraw/zinc/40/76/52/1078407652.db2.gz POGWDGUGQYQQJO-KRWDZBQOSA-N 1 0 423.583 0.528 20 0 HCADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC000556071164 1078407677 /nfs/dbraw/zinc/40/76/77/1078407677.db2.gz POGWDGUGQYQQJO-QGZVFWFLSA-N 1 0 423.583 0.528 20 0 HCADRO COCCc1noc(CN(C)C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000556071288 1078407305 /nfs/dbraw/zinc/40/73/05/1078407305.db2.gz RHFKQXICLDSRPI-HNNXBMFYSA-N 1 0 407.446 0.775 20 0 HCADRO COCCc1noc(CN(C)C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000556071289 1078407425 /nfs/dbraw/zinc/40/74/25/1078407425.db2.gz RHFKQXICLDSRPI-OAHLLOKOSA-N 1 0 407.446 0.775 20 0 HCADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000556071359 1078407743 /nfs/dbraw/zinc/40/77/43/1078407743.db2.gz SOGQUXUGTVFDBI-HNNXBMFYSA-N 1 0 410.540 0.620 20 0 HCADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000556071360 1078407690 /nfs/dbraw/zinc/40/76/90/1078407690.db2.gz SOGQUXUGTVFDBI-OAHLLOKOSA-N 1 0 410.540 0.620 20 0 HCADRO Cc1nccn1CCCNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000556071499 1078407337 /nfs/dbraw/zinc/40/73/37/1078407337.db2.gz ADAQVVYJDJLBRM-UHFFFAOYSA-N 1 0 420.558 0.441 20 0 HCADRO CNC(=O)c1cccc(CNC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000556071529 1078407018 /nfs/dbraw/zinc/40/70/18/1078407018.db2.gz AXOYPPMQQXSLFS-UHFFFAOYSA-N 1 0 409.490 0.838 20 0 HCADRO CC[C@H](NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C(=O)N1CCOCC1 ZINC000556071658 1078406561 /nfs/dbraw/zinc/40/65/61/1078406561.db2.gz WCOLDZWIARROJH-DLBZAZTESA-N 1 0 408.474 0.298 20 0 HCADRO CC[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C(=O)N1CCOCC1 ZINC000556071659 1078406631 /nfs/dbraw/zinc/40/66/31/1078406631.db2.gz WCOLDZWIARROJH-IAGOWNOFSA-N 1 0 408.474 0.298 20 0 HCADRO CC[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C(=O)N1CCOCC1 ZINC000556071660 1078406581 /nfs/dbraw/zinc/40/65/81/1078406581.db2.gz WCOLDZWIARROJH-IRXDYDNUSA-N 1 0 408.474 0.298 20 0 HCADRO CC[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C(=O)N1CCOCC1 ZINC000556071661 1078406641 /nfs/dbraw/zinc/40/66/41/1078406641.db2.gz WCOLDZWIARROJH-SJORKVTESA-N 1 0 408.474 0.298 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)c1ccc(F)cc1 ZINC000556071730 1078407015 /nfs/dbraw/zinc/40/70/15/1078407015.db2.gz VFNGMQSUNOYQBD-MOPGFXCFSA-N 1 0 406.502 0.868 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)c1ccc(F)cc1 ZINC000556071731 1078406953 /nfs/dbraw/zinc/40/69/53/1078406953.db2.gz VFNGMQSUNOYQBD-OALUTQOASA-N 1 0 406.502 0.868 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)c1ccc(F)cc1 ZINC000556071732 1078406995 /nfs/dbraw/zinc/40/69/95/1078406995.db2.gz VFNGMQSUNOYQBD-RBUKOAKNSA-N 1 0 406.502 0.868 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)c1ccc(F)cc1 ZINC000556071733 1078407021 /nfs/dbraw/zinc/40/70/21/1078407021.db2.gz VFNGMQSUNOYQBD-RTBURBONSA-N 1 0 406.502 0.868 20 0 HCADRO CC[C@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000556071851 1078406648 /nfs/dbraw/zinc/40/66/48/1078406648.db2.gz DWELSBGEJIWSAF-GOSISDBHSA-N 1 0 422.551 0.043 20 0 HCADRO CC[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000556071852 1078406604 /nfs/dbraw/zinc/40/66/04/1078406604.db2.gz DWELSBGEJIWSAF-SFHVURJKSA-N 1 0 422.551 0.043 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)c1ccc(F)cc1 ZINC000556071910 1078406586 /nfs/dbraw/zinc/40/65/86/1078406586.db2.gz XNJMVNNRTYJYOU-KRWDZBQOSA-N 1 0 401.442 0.486 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)c1ccc(F)cc1 ZINC000556071911 1078406496 /nfs/dbraw/zinc/40/64/96/1078406496.db2.gz XNJMVNNRTYJYOU-QGZVFWFLSA-N 1 0 401.442 0.486 20 0 HCADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000556072133 1078408617 /nfs/dbraw/zinc/40/86/17/1078408617.db2.gz GYVFMOQNXHZHJZ-UHFFFAOYSA-N 1 0 414.510 0.783 20 0 HCADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000556072212 1078408645 /nfs/dbraw/zinc/40/86/45/1078408645.db2.gz ZUUPTCYKMXUQSE-GOSISDBHSA-N 1 0 421.517 0.167 20 0 HCADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000556072215 1078408665 /nfs/dbraw/zinc/40/86/65/1078408665.db2.gz ZUUPTCYKMXUQSE-SFHVURJKSA-N 1 0 421.517 0.167 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000556072273 1078408539 /nfs/dbraw/zinc/40/85/39/1078408539.db2.gz JKXRISHXLUYZIZ-KRWDZBQOSA-N 1 0 408.474 0.298 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000556072274 1078408571 /nfs/dbraw/zinc/40/85/71/1078408571.db2.gz JKXRISHXLUYZIZ-QGZVFWFLSA-N 1 0 408.474 0.298 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)CC2 ZINC000556072287 1078408585 /nfs/dbraw/zinc/40/85/85/1078408585.db2.gz JQMLNMSHUSLEFW-DLBZAZTESA-N 1 0 420.558 0.728 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)CC2 ZINC000556072288 1078408598 /nfs/dbraw/zinc/40/85/98/1078408598.db2.gz JQMLNMSHUSLEFW-IAGOWNOFSA-N 1 0 420.558 0.728 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)CC2 ZINC000556072289 1078408582 /nfs/dbraw/zinc/40/85/82/1078408582.db2.gz JQMLNMSHUSLEFW-IRXDYDNUSA-N 1 0 420.558 0.728 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)CC2 ZINC000556072290 1078408561 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0.103 20 0 HCADRO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000556073261 1078409260 /nfs/dbraw/zinc/40/92/60/1078409260.db2.gz UZPIAIXHKYKNNI-GOSISDBHSA-N 1 0 414.510 0.225 20 0 HCADRO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000556073264 1078409159 /nfs/dbraw/zinc/40/91/59/1078409159.db2.gz UZPIAIXHKYKNNI-SFHVURJKSA-N 1 0 414.510 0.225 20 0 HCADRO CC(C)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000556073275 1078409232 /nfs/dbraw/zinc/40/92/32/1078409232.db2.gz VANVSZWIHFKECC-UHFFFAOYSA-N 1 0 401.511 0.489 20 0 HCADRO CC[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1)[N@@H+]1CCc2ccccc2C1 ZINC000556073651 1078408784 /nfs/dbraw/zinc/40/87/84/1078408784.db2.gz XPEDPFOZMAAOSW-AVRDEDQJSA-N 1 0 400.523 0.924 20 0 HCADRO CC[C@H](CNC(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1)[N@@H+]1CCc2ccccc2C1 ZINC000556073652 1078408855 /nfs/dbraw/zinc/40/88/55/1078408855.db2.gz XPEDPFOZMAAOSW-GCJKJVERSA-N 1 0 400.523 0.924 20 0 HCADRO 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LEKBINPXKSWXCR-GOSISDBHSA-N 1 0 415.538 0.300 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000556084326 1078424108 /nfs/dbraw/zinc/42/41/08/1078424108.db2.gz LEKBINPXKSWXCR-SFHVURJKSA-N 1 0 415.538 0.300 20 0 HCADRO CS(=O)(=O)NCC[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000556084491 1078424095 /nfs/dbraw/zinc/42/40/95/1078424095.db2.gz LPGUATJKYGSAMU-UHFFFAOYSA-N 1 0 412.531 0.878 20 0 HCADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1=O ZINC000556085154 1078415507 /nfs/dbraw/zinc/41/55/07/1078415507.db2.gz MEPKNIXNGJXQHY-INIZCTEOSA-N 1 0 404.515 0.363 20 0 HCADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1=O ZINC000556085156 1078415544 /nfs/dbraw/zinc/41/55/44/1078415544.db2.gz MEPKNIXNGJXQHY-MRXNPFEDSA-N 1 0 404.515 0.363 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)C1 ZINC000556085754 1078414837 /nfs/dbraw/zinc/41/48/37/1078414837.db2.gz XXSDRQCNIKNMNN-HNNXBMFYSA-N 1 0 412.485 0.771 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)C1 ZINC000556085755 1078414898 /nfs/dbraw/zinc/41/48/98/1078414898.db2.gz XXSDRQCNIKNMNN-OAHLLOKOSA-N 1 0 412.485 0.771 20 0 HCADRO CCc1cc(N2CCC[C@H](NC(=O)C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)C2)ncn1 ZINC000556085905 1078414430 /nfs/dbraw/zinc/41/44/30/1078414430.db2.gz XRFNHWSGAPOSIY-AEFFLSMTSA-N 1 0 402.543 0.972 20 0 HCADRO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NCC[N@@H+]3CCC[C@H](C)C3)C2)ncn1 ZINC000556085906 1078414506 /nfs/dbraw/zinc/41/45/06/1078414506.db2.gz XRFNHWSGAPOSIY-FUHWJXTLSA-N 1 0 402.543 0.972 20 0 HCADRO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)C2)ncn1 ZINC000556085907 1078414562 /nfs/dbraw/zinc/41/45/62/1078414562.db2.gz XRFNHWSGAPOSIY-SJLPKXTDSA-N 1 0 402.543 0.972 20 0 HCADRO CCc1cc(N2CCC[C@H](NC(=O)C(=O)NCC[N@@H+]3CCC[C@H](C)C3)C2)ncn1 ZINC000556085908 1078414484 /nfs/dbraw/zinc/41/44/84/1078414484.db2.gz XRFNHWSGAPOSIY-WMZOPIPTSA-N 1 0 402.543 0.972 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000556085969 1078424405 /nfs/dbraw/zinc/42/44/05/1078424405.db2.gz ZSLVDBQGXLRAMT-CABCVRRESA-N 1 0 410.540 0.620 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000556085970 1078424413 /nfs/dbraw/zinc/42/44/13/1078424413.db2.gz ZSLVDBQGXLRAMT-GJZGRUSLSA-N 1 0 410.540 0.620 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000556085971 1078424444 /nfs/dbraw/zinc/42/44/44/1078424444.db2.gz ZSLVDBQGXLRAMT-HUUCEWRRSA-N 1 0 410.540 0.620 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000556085972 1078424419 /nfs/dbraw/zinc/42/44/19/1078424419.db2.gz ZSLVDBQGXLRAMT-LSDHHAIUSA-N 1 0 410.540 0.620 20 0 HCADRO CN(CCN1CCOCC1)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000556086795 1078415856 /nfs/dbraw/zinc/41/58/56/1078415856.db2.gz JAAHUJGLVFHIMH-UHFFFAOYSA-N 1 0 402.539 0.730 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCN3CCc4ccccc4C3)CC2)c1 ZINC000556087052 1078416632 /nfs/dbraw/zinc/41/66/32/1078416632.db2.gz JRELUJMJACVWER-UHFFFAOYSA-N 1 0 423.517 0.913 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCNC(=O)c1cccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000556087334 1078416952 /nfs/dbraw/zinc/41/69/52/1078416952.db2.gz OUYNLVGEORTAMZ-DOTOQJQBSA-N 1 0 401.511 0.697 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCNC(=O)c1cccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000556087339 1078416960 /nfs/dbraw/zinc/41/69/60/1078416960.db2.gz OUYNLVGEORTAMZ-NVXWUHKLSA-N 1 0 401.511 0.697 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCNC(=O)c1cccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000556087340 1078417244 /nfs/dbraw/zinc/41/72/44/1078417244.db2.gz OUYNLVGEORTAMZ-RDJZCZTQSA-N 1 0 401.511 0.697 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCNC(=O)c1cccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000556087341 1078417348 /nfs/dbraw/zinc/41/73/48/1078417348.db2.gz OUYNLVGEORTAMZ-WBVHZDCISA-N 1 0 401.511 0.697 20 0 HCADRO O=C(NCCN1CCc2ccccc2C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000556087413 1078417320 /nfs/dbraw/zinc/41/73/20/1078417320.db2.gz QQHFSFWUVZJTAJ-IBGZPJMESA-N 1 0 414.550 0.732 20 0 HCADRO O=C(NCCN1CCc2ccccc2C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000556087415 1078417376 /nfs/dbraw/zinc/41/73/76/1078417376.db2.gz QQHFSFWUVZJTAJ-LJQANCHMSA-N 1 0 414.550 0.732 20 0 HCADRO Cn1ccnc1CN1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000556087639 1078416901 /nfs/dbraw/zinc/41/69/01/1078416901.db2.gz YKBMNWCUGNPZKF-UHFFFAOYSA-N 1 0 404.559 0.835 20 0 HCADRO CC(C)(CNC(=O)C(=O)N1CCO[C@]2(CCOC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000556087721 1078416586 /nfs/dbraw/zinc/41/65/86/1078416586.db2.gz BNJGYDTVYLUODW-JOCHJYFZSA-N 1 0 401.507 0.957 20 0 HCADRO CC(C)(CNC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000556087722 1078416513 /nfs/dbraw/zinc/41/65/13/1078416513.db2.gz BNJGYDTVYLUODW-QFIPXVFZSA-N 1 0 401.507 0.957 20 0 HCADRO COc1cccc(CN(C)C(=O)C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)c1 ZINC000556087818 1078416467 /nfs/dbraw/zinc/41/64/67/1078416467.db2.gz BEJNPJFANHGZLO-UHFFFAOYSA-N 1 0 400.483 0.868 20 0 HCADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000556087844 1078416498 /nfs/dbraw/zinc/41/64/98/1078416498.db2.gz CFXOHUUJQMHZMN-UHFFFAOYSA-N 1 0 415.469 0.657 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)NCCNC(=O)c1cccnc1)Cc1ccc(F)cc1 ZINC000556087886 1078416525 /nfs/dbraw/zinc/41/65/25/1078416525.db2.gz AAUPAISNXCUGDD-UHFFFAOYSA-N 1 0 401.442 0.315 20 0 HCADRO CC(C)(CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000556088064 1078417283 /nfs/dbraw/zinc/41/72/83/1078417283.db2.gz DNNBNEAHDGZUNT-LJQANCHMSA-N 1 0 400.523 0.483 20 0 HCADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000556088067 1078417335 /nfs/dbraw/zinc/41/73/35/1078417335.db2.gz DSJBIPZEKWMFSQ-UHFFFAOYSA-N 1 0 415.469 0.657 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CCc2ccccc2C1 ZINC000556088242 1078418269 /nfs/dbraw/zinc/41/82/69/1078418269.db2.gz GIZAVJYGRGPXNS-UHFFFAOYSA-N 1 0 415.582 0.645 20 0 HCADRO O=C(NCCNC(=O)c1cccnc1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000556088411 1078417940 /nfs/dbraw/zinc/41/79/40/1078417940.db2.gz LCIAJXPCAZSJHJ-IBGZPJMESA-N 1 0 409.490 0.881 20 0 HCADRO O=C(NCCNC(=O)c1cccnc1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000556088412 1078417951 /nfs/dbraw/zinc/41/79/51/1078417951.db2.gz LCIAJXPCAZSJHJ-LJQANCHMSA-N 1 0 409.490 0.881 20 0 HCADRO CC(C)NS(=O)(=O)N1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000556088708 1078417947 /nfs/dbraw/zinc/41/79/47/1078417947.db2.gz OADZCWVAFORWHO-GOSISDBHSA-N 1 0 411.572 0.266 20 0 HCADRO CC(C)NS(=O)(=O)N1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000556088709 1078417934 /nfs/dbraw/zinc/41/79/34/1078417934.db2.gz OADZCWVAFORWHO-SFHVURJKSA-N 1 0 411.572 0.266 20 0 HCADRO C[N@@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1(C)C ZINC000556088805 1078417549 /nfs/dbraw/zinc/41/75/49/1078417549.db2.gz NKFJDNXRLHPHOU-UHFFFAOYSA-N 1 0 412.531 0.685 20 0 HCADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000556089037 1078418313 /nfs/dbraw/zinc/41/83/13/1078418313.db2.gz SWZDEVYMNLCMDS-UHFFFAOYSA-N 1 0 415.469 0.657 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000556089263 1078430169 /nfs/dbraw/zinc/43/01/69/1078430169.db2.gz XCKRTMZYZDPUSK-UHFFFAOYSA-N 1 0 409.575 0.426 20 0 HCADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCCNC(=O)c2cccnc2)cc1F ZINC000556089833 1078418702 /nfs/dbraw/zinc/41/87/02/1078418702.db2.gz NLTGMWKQWHLIRQ-UHFFFAOYSA-N 1 0 401.442 0.445 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]CCN3C(=O)c4ccccc4C3=O)CC2)cn1 ZINC000556090258 1078430618 /nfs/dbraw/zinc/43/06/18/1078430618.db2.gz QAZZONJFESBYCM-UHFFFAOYSA-N 1 0 417.491 0.459 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C(C)(C)C3)CC2)cc1C ZINC000556092122 1078425287 /nfs/dbraw/zinc/42/52/87/1078425287.db2.gz PNHUIISEKDDLSJ-GOSISDBHSA-N 1 0 409.552 0.839 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](O)C(C)(C)C3)CC2)cc1C ZINC000556092123 1078425346 /nfs/dbraw/zinc/42/53/46/1078425346.db2.gz PNHUIISEKDDLSJ-SFHVURJKSA-N 1 0 409.552 0.839 20 0 HCADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)c1 ZINC000556093146 1078425876 /nfs/dbraw/zinc/42/58/76/1078425876.db2.gz BLARKXUQFFIVEO-UHFFFAOYSA-N 1 0 417.554 0.166 20 0 HCADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000556094477 1078426517 /nfs/dbraw/zinc/42/65/17/1078426517.db2.gz YAQFTDIWEKVUMH-UHFFFAOYSA-N 1 0 414.466 0.844 20 0 HCADRO CN(C)c1ncccc1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000556095815 1078427608 /nfs/dbraw/zinc/42/76/08/1078427608.db2.gz LYFCCJMOPYFPGC-IBGZPJMESA-N 1 0 411.506 0.647 20 0 HCADRO CN(C)c1ncccc1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000556095816 1078427644 /nfs/dbraw/zinc/42/76/44/1078427644.db2.gz LYFCCJMOPYFPGC-LJQANCHMSA-N 1 0 411.506 0.647 20 0 HCADRO CN(C)c1ccc(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000556095982 1078427287 /nfs/dbraw/zinc/42/72/87/1078427287.db2.gz NWMJHNMEBIUUPT-MSOLQXFVSA-N 1 0 403.527 0.648 20 0 HCADRO CN(C)c1ccc(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000556095984 1078427252 /nfs/dbraw/zinc/42/72/52/1078427252.db2.gz NWMJHNMEBIUUPT-QZTJIDSGSA-N 1 0 403.527 0.648 20 0 HCADRO CN(C)c1ccc(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000556095986 1078427258 /nfs/dbraw/zinc/42/72/58/1078427258.db2.gz NWMJHNMEBIUUPT-ROUUACIJSA-N 1 0 403.527 0.648 20 0 HCADRO CN(C)c1ccc(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000556095987 1078427237 /nfs/dbraw/zinc/42/72/37/1078427237.db2.gz NWMJHNMEBIUUPT-ZWKOTPCHSA-N 1 0 403.527 0.648 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCc2cccnc2N(C)C)CC1 ZINC000556097689 1078431030 /nfs/dbraw/zinc/43/10/30/1078431030.db2.gz BHWADFXLQICEKV-HDICACEKSA-N 1 0 416.570 0.781 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCc2cccnc2N(C)C)CC1 ZINC000556097690 1078431051 /nfs/dbraw/zinc/43/10/51/1078431051.db2.gz BHWADFXLQICEKV-QZTJIDSGSA-N 1 0 416.570 0.781 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCc2cccnc2N(C)C)CC1 ZINC000556097691 1078431129 /nfs/dbraw/zinc/43/11/29/1078431129.db2.gz BHWADFXLQICEKV-ROUUACIJSA-N 1 0 416.570 0.781 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000556097707 1078430980 /nfs/dbraw/zinc/43/09/80/1078430980.db2.gz BVYKJNHAXWBXLL-MOPGFXCFSA-N 1 0 421.586 0.380 20 0 HCADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000556097708 1078431386 /nfs/dbraw/zinc/43/13/86/1078431386.db2.gz BVYKJNHAXWBXLL-OALUTQOASA-N 1 0 421.586 0.380 20 0 HCADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000556097709 1078431353 /nfs/dbraw/zinc/43/13/53/1078431353.db2.gz BVYKJNHAXWBXLL-RBUKOAKNSA-N 1 0 421.586 0.380 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000556097710 1078431360 /nfs/dbraw/zinc/43/13/60/1078431360.db2.gz BVYKJNHAXWBXLL-RTBURBONSA-N 1 0 421.586 0.380 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)nc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000556098149 1078432467 /nfs/dbraw/zinc/43/24/67/1078432467.db2.gz MRSAFCAXSIWECS-AEFFLSMTSA-N 1 0 402.543 0.248 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)nc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000556098150 1078432472 /nfs/dbraw/zinc/43/24/72/1078432472.db2.gz MRSAFCAXSIWECS-FUHWJXTLSA-N 1 0 402.543 0.248 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)nc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000556098151 1078432438 /nfs/dbraw/zinc/43/24/38/1078432438.db2.gz MRSAFCAXSIWECS-SJLPKXTDSA-N 1 0 402.543 0.248 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)nc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000556098152 1078432464 /nfs/dbraw/zinc/43/24/64/1078432464.db2.gz MRSAFCAXSIWECS-WMZOPIPTSA-N 1 0 402.543 0.248 20 0 HCADRO CN(C)c1ncccc1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000556098269 1078432123 /nfs/dbraw/zinc/43/21/23/1078432123.db2.gz NIOWLKZFZXKHKV-MSOLQXFVSA-N 1 0 403.527 0.648 20 0 HCADRO CN(C)c1ncccc1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000556098270 1078432132 /nfs/dbraw/zinc/43/21/32/1078432132.db2.gz NIOWLKZFZXKHKV-QZTJIDSGSA-N 1 0 403.527 0.648 20 0 HCADRO CN(C)c1ncccc1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000556098271 1078432150 /nfs/dbraw/zinc/43/21/50/1078432150.db2.gz NIOWLKZFZXKHKV-ROUUACIJSA-N 1 0 403.527 0.648 20 0 HCADRO CN(C)c1ncccc1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000556098272 1078432139 /nfs/dbraw/zinc/43/21/39/1078432139.db2.gz NIOWLKZFZXKHKV-ZWKOTPCHSA-N 1 0 403.527 0.648 20 0 HCADRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000556098406 1078432134 /nfs/dbraw/zinc/43/21/34/1078432134.db2.gz NTIBVQPWTBTZNL-UHFFFAOYSA-N 1 0 403.527 0.867 20 0 HCADRO C[C@@H]1c2nncn2CCN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556099828 1078432836 /nfs/dbraw/zinc/43/28/36/1078432836.db2.gz AEFXQCQXEXGYON-AEFFLSMTSA-N 1 0 411.510 0.286 20 0 HCADRO C[C@H]1c2nncn2CCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556099829 1078432854 /nfs/dbraw/zinc/43/28/54/1078432854.db2.gz AEFXQCQXEXGYON-FUHWJXTLSA-N 1 0 411.510 0.286 20 0 HCADRO C[C@@H]1c2nncn2CCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556099830 1078432858 /nfs/dbraw/zinc/43/28/58/1078432858.db2.gz AEFXQCQXEXGYON-SJLPKXTDSA-N 1 0 411.510 0.286 20 0 HCADRO C[C@H]1c2nncn2CCN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556099831 1078432413 /nfs/dbraw/zinc/43/24/13/1078432413.db2.gz AEFXQCQXEXGYON-WMZOPIPTSA-N 1 0 411.510 0.286 20 0 HCADRO Cc1nn(C)c(C)c1CNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556099849 1078432481 /nfs/dbraw/zinc/43/24/81/1078432481.db2.gz AVIOYYRZDVSMSV-FQEVSTJZSA-N 1 0 412.538 0.758 20 0 HCADRO Cc1nn(C)c(C)c1CNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556099850 1078432501 /nfs/dbraw/zinc/43/25/01/1078432501.db2.gz AVIOYYRZDVSMSV-HXUWFJFHSA-N 1 0 412.538 0.758 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCCNC(=O)C(C)(C)C)c2ccccc2)CC1 ZINC000556099858 1078432424 /nfs/dbraw/zinc/43/24/24/1078432424.db2.gz BJXKYUNKTJDWSU-GOSISDBHSA-N 1 0 417.554 0.370 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCCNC(=O)C(C)(C)C)c2ccccc2)CC1 ZINC000556099859 1078432849 /nfs/dbraw/zinc/43/28/49/1078432849.db2.gz BJXKYUNKTJDWSU-SFHVURJKSA-N 1 0 417.554 0.370 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)c2ccccc2)CC1 ZINC000556099942 1078432815 /nfs/dbraw/zinc/43/28/15/1078432815.db2.gz DEQMVKIMBZCLNY-LEWJYISDSA-N 1 0 424.549 0.979 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c2ccccc2)CC1 ZINC000556099943 1078432845 /nfs/dbraw/zinc/43/28/45/1078432845.db2.gz DEQMVKIMBZCLNY-NHCUHLMSSA-N 1 0 424.549 0.979 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c2ccccc2)CC1 ZINC000556099944 1078432839 /nfs/dbraw/zinc/43/28/39/1078432839.db2.gz DEQMVKIMBZCLNY-RTWAWAEBSA-N 1 0 424.549 0.979 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)c2ccccc2)CC1 ZINC000556099945 1078432830 /nfs/dbraw/zinc/43/28/30/1078432830.db2.gz DEQMVKIMBZCLNY-SFTDATJTSA-N 1 0 424.549 0.979 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCCOC[C@@H]2CCCO2)c2ccccc2)CC1 ZINC000556100047 1078433277 /nfs/dbraw/zinc/43/32/77/1078433277.db2.gz AESPOCFATSLMMX-PMACEKPBSA-N 1 0 418.538 0.403 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCCOC[C@H]2CCCO2)c2ccccc2)CC1 ZINC000556100048 1078433226 /nfs/dbraw/zinc/43/32/26/1078433226.db2.gz AESPOCFATSLMMX-UXHICEINSA-N 1 0 418.538 0.403 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCCOC[C@@H]2CCCO2)c2ccccc2)CC1 ZINC000556100049 1078433340 /nfs/dbraw/zinc/43/33/40/1078433340.db2.gz AESPOCFATSLMMX-VQTJNVASSA-N 1 0 418.538 0.403 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCCOC[C@H]2CCCO2)c2ccccc2)CC1 ZINC000556100050 1078433358 /nfs/dbraw/zinc/43/33/58/1078433358.db2.gz AESPOCFATSLMMX-WOJBJXKFSA-N 1 0 418.538 0.403 20 0 HCADRO CN(CCCn1ccnc1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100073 1078433166 /nfs/dbraw/zinc/43/31/66/1078433166.db2.gz GRRODYSNHBVOCT-FQEVSTJZSA-N 1 0 412.538 0.837 20 0 HCADRO CN(CCCn1ccnc1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100076 1078433327 /nfs/dbraw/zinc/43/33/27/1078433327.db2.gz GRRODYSNHBVOCT-HXUWFJFHSA-N 1 0 412.538 0.837 20 0 HCADRO CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100351 1078434012 /nfs/dbraw/zinc/43/40/12/1078434012.db2.gz IKQLHDGMAVKLHW-AABGKKOBSA-N 1 0 402.539 0.711 20 0 HCADRO CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100352 1078433961 /nfs/dbraw/zinc/43/39/61/1078433961.db2.gz IKQLHDGMAVKLHW-HSALFYBXSA-N 1 0 402.539 0.711 20 0 HCADRO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100353 1078434031 /nfs/dbraw/zinc/43/40/31/1078434031.db2.gz IKQLHDGMAVKLHW-SLFFLAALSA-N 1 0 402.539 0.711 20 0 HCADRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100354 1078434037 /nfs/dbraw/zinc/43/40/37/1078434037.db2.gz IKQLHDGMAVKLHW-UFYCRDLUSA-N 1 0 402.539 0.711 20 0 HCADRO Cc1ncc2c(n1)CCN(C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C2 ZINC000556100405 1078433983 /nfs/dbraw/zinc/43/39/83/1078433983.db2.gz IZACYXZEZGEJNZ-NRFANRHFSA-N 1 0 422.533 0.775 20 0 HCADRO Cc1ncc2c(n1)CCN(C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)C2 ZINC000556100408 1078433936 /nfs/dbraw/zinc/43/39/36/1078433936.db2.gz IZACYXZEZGEJNZ-OAQYLSRUSA-N 1 0 422.533 0.775 20 0 HCADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000556100601 1078433541 /nfs/dbraw/zinc/43/35/41/1078433541.db2.gz LEMQQUXOBOJOGF-IBGZPJMESA-N 1 0 421.586 0.381 20 0 HCADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000556100603 1078433499 /nfs/dbraw/zinc/43/34/99/1078433499.db2.gz LEMQQUXOBOJOGF-LJQANCHMSA-N 1 0 421.586 0.381 20 0 HCADRO C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000556100668 1078433513 /nfs/dbraw/zinc/43/35/13/1078433513.db2.gz LXXGHMOOVUYMNH-DFQSSKMNSA-N 1 0 402.539 0.711 20 0 HCADRO C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000556100671 1078433527 /nfs/dbraw/zinc/43/35/27/1078433527.db2.gz LXXGHMOOVUYMNH-IHPCNDPISA-N 1 0 402.539 0.711 20 0 HCADRO C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000556100674 1078433493 /nfs/dbraw/zinc/43/34/93/1078433493.db2.gz LXXGHMOOVUYMNH-SXLOBPIMSA-N 1 0 402.539 0.711 20 0 HCADRO C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000556100678 1078433572 /nfs/dbraw/zinc/43/35/72/1078433572.db2.gz LXXGHMOOVUYMNH-YSIASYRMSA-N 1 0 402.539 0.711 20 0 HCADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100691 1078433584 /nfs/dbraw/zinc/43/35/84/1078433584.db2.gz LZNZJONXBIXFFJ-HKUYNNGSSA-N 1 0 417.554 0.512 20 0 HCADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100692 1078433556 /nfs/dbraw/zinc/43/35/56/1078433556.db2.gz LZNZJONXBIXFFJ-IEBWSBKVSA-N 1 0 417.554 0.512 20 0 HCADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100695 1078433533 /nfs/dbraw/zinc/43/35/33/1078433533.db2.gz LZNZJONXBIXFFJ-MJGOQNOKSA-N 1 0 417.554 0.512 20 0 HCADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100698 1078433547 /nfs/dbraw/zinc/43/35/47/1078433547.db2.gz LZNZJONXBIXFFJ-PKOBYXMFSA-N 1 0 417.554 0.512 20 0 HCADRO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100873 1078434511 /nfs/dbraw/zinc/43/45/11/1078434511.db2.gz JUKYIZJVJIUFIV-LEWJYISDSA-N 1 0 415.582 0.890 20 0 HCADRO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100876 1078434237 /nfs/dbraw/zinc/43/42/37/1078434237.db2.gz JUKYIZJVJIUFIV-NHCUHLMSSA-N 1 0 415.582 0.890 20 0 HCADRO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100878 1078434333 /nfs/dbraw/zinc/43/43/33/1078434333.db2.gz JUKYIZJVJIUFIV-RTWAWAEBSA-N 1 0 415.582 0.890 20 0 HCADRO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100879 1078434537 /nfs/dbraw/zinc/43/45/37/1078434537.db2.gz JUKYIZJVJIUFIV-SFTDATJTSA-N 1 0 415.582 0.890 20 0 HCADRO Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)[nH]n1 ZINC000556100880 1078434377 /nfs/dbraw/zinc/43/43/77/1078434377.db2.gz JXERRUAYIVKFGK-JXFKEZNVSA-N 1 0 412.538 0.870 20 0 HCADRO Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)[nH]n1 ZINC000556100881 1078434270 /nfs/dbraw/zinc/43/42/70/1078434270.db2.gz JXERRUAYIVKFGK-OXJNMPFZSA-N 1 0 412.538 0.870 20 0 HCADRO Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)[nH]n1 ZINC000556100883 1078434469 /nfs/dbraw/zinc/43/44/69/1078434469.db2.gz JXERRUAYIVKFGK-OXQOHEQNSA-N 1 0 412.538 0.870 20 0 HCADRO Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)[nH]n1 ZINC000556100885 1078434295 /nfs/dbraw/zinc/43/42/95/1078434295.db2.gz JXERRUAYIVKFGK-UZLBHIALSA-N 1 0 412.538 0.870 20 0 HCADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000556100907 1078434403 /nfs/dbraw/zinc/43/44/03/1078434403.db2.gz KFBWUWALXQADNG-IBGZPJMESA-N 1 0 421.586 0.237 20 0 HCADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000556100909 1078434896 /nfs/dbraw/zinc/43/48/96/1078434896.db2.gz KFBWUWALXQADNG-LJQANCHMSA-N 1 0 421.586 0.237 20 0 HCADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1)c1ccccc1 ZINC000556101041 1078434434 /nfs/dbraw/zinc/43/44/34/1078434434.db2.gz QODDSAZMWGBSRZ-KRWDZBQOSA-N 1 0 417.554 0.512 20 0 HCADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1)c1ccccc1 ZINC000556101042 1078434498 /nfs/dbraw/zinc/43/44/98/1078434498.db2.gz QODDSAZMWGBSRZ-QGZVFWFLSA-N 1 0 417.554 0.512 20 0 HCADRO Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000556101315 1078436091 /nfs/dbraw/zinc/43/60/91/1078436091.db2.gz VINNMWSSTXFDQI-PMACEKPBSA-N 1 0 424.549 0.841 20 0 HCADRO Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000556101320 1078436065 /nfs/dbraw/zinc/43/60/65/1078436065.db2.gz VINNMWSSTXFDQI-UXHICEINSA-N 1 0 424.549 0.841 20 0 HCADRO Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000556101321 1078436033 /nfs/dbraw/zinc/43/60/33/1078436033.db2.gz VINNMWSSTXFDQI-VQTJNVASSA-N 1 0 424.549 0.841 20 0 HCADRO Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000556101322 1078436011 /nfs/dbraw/zinc/43/60/11/1078436011.db2.gz VINNMWSSTXFDQI-WOJBJXKFSA-N 1 0 424.549 0.841 20 0 HCADRO CCN(Cc1cn(C)nn1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556101371 1078436077 /nfs/dbraw/zinc/43/60/77/1078436077.db2.gz VYFFIXSJAOEQNZ-IBGZPJMESA-N 1 0 413.526 0.269 20 0 HCADRO CCN(Cc1cn(C)nn1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556101373 1078436004 /nfs/dbraw/zinc/43/60/04/1078436004.db2.gz VYFFIXSJAOEQNZ-LJQANCHMSA-N 1 0 413.526 0.269 20 0 HCADRO CN(CC1(O)CCCC1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556101441 1078435618 /nfs/dbraw/zinc/43/56/18/1078435618.db2.gz WYUDNHLFPIUTAY-IBGZPJMESA-N 1 0 402.539 0.855 20 0 HCADRO CN(CC1(O)CCCC1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556101442 1078435652 /nfs/dbraw/zinc/43/56/52/1078435652.db2.gz WYUDNHLFPIUTAY-LJQANCHMSA-N 1 0 402.539 0.855 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N(CCO)C2CCOCC2)c2ccccc2)CC1 ZINC000556101507 1078435672 /nfs/dbraw/zinc/43/56/72/1078435672.db2.gz SSXXMDAZNDMENZ-FQEVSTJZSA-N 1 0 418.538 0.091 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N(CCO)C2CCOCC2)c2ccccc2)CC1 ZINC000556101508 1078435713 /nfs/dbraw/zinc/43/57/13/1078435713.db2.gz SSXXMDAZNDMENZ-HXUWFJFHSA-N 1 0 418.538 0.091 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@@H]2CCO[C@H]2C2CC2)c2ccccc2)CC1 ZINC000556101712 1078435681 /nfs/dbraw/zinc/43/56/81/1078435681.db2.gz VWOMCVKEXDQAGC-AABGKKOBSA-N 1 0 400.523 0.775 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@@H]2CCO[C@@H]2C2CC2)c2ccccc2)CC1 ZINC000556101713 1078435634 /nfs/dbraw/zinc/43/56/34/1078435634.db2.gz VWOMCVKEXDQAGC-HSALFYBXSA-N 1 0 400.523 0.775 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@H]2CCO[C@@H]2C2CC2)c2ccccc2)CC1 ZINC000556101714 1078435627 /nfs/dbraw/zinc/43/56/27/1078435627.db2.gz VWOMCVKEXDQAGC-SLFFLAALSA-N 1 0 400.523 0.775 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@H]2CCO[C@H]2C2CC2)c2ccccc2)CC1 ZINC000556101715 1078435689 /nfs/dbraw/zinc/43/56/89/1078435689.db2.gz VWOMCVKEXDQAGC-UFYCRDLUSA-N 1 0 400.523 0.775 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CC[C@H]([C@H]3CCOC3)C2)c2ccccc2)CC1 ZINC000556101749 1078434932 /nfs/dbraw/zinc/43/49/32/1078434932.db2.gz WYQIMTMAJXFOBK-ACRUOGEOSA-N 1 0 414.550 0.976 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c2ccccc2)CC1 ZINC000556101750 1078435409 /nfs/dbraw/zinc/43/54/09/1078435409.db2.gz WYQIMTMAJXFOBK-HBMCJLEFSA-N 1 0 414.550 0.976 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c2ccccc2)CC1 ZINC000556101751 1078435518 /nfs/dbraw/zinc/43/55/18/1078435518.db2.gz WYQIMTMAJXFOBK-HKBOAZHASA-N 1 0 414.550 0.976 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c2ccccc2)CC1 ZINC000556101752 1078435489 /nfs/dbraw/zinc/43/54/89/1078435489.db2.gz WYQIMTMAJXFOBK-NJYVYQBISA-N 1 0 414.550 0.976 20 0 HCADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000556101819 1078435371 /nfs/dbraw/zinc/43/53/71/1078435371.db2.gz YNDIJLOIMUUSMS-UHFFFAOYSA-N 1 0 409.575 0.237 20 0 HCADRO CN(CC1CCOCC1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556102434 1078436928 /nfs/dbraw/zinc/43/69/28/1078436928.db2.gz FXXQPPZUCLIGAN-FQEVSTJZSA-N 1 0 402.539 0.976 20 0 HCADRO CN(CC1CCOCC1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556102435 1078436900 /nfs/dbraw/zinc/43/69/00/1078436900.db2.gz FXXQPPZUCLIGAN-HXUWFJFHSA-N 1 0 402.539 0.976 20 0 HCADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000556104298 1078430997 /nfs/dbraw/zinc/43/09/97/1078430997.db2.gz RDMZOYKPEPLYJX-UHFFFAOYSA-N 1 0 405.430 0.875 20 0 HCADRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000556106793 1078439612 /nfs/dbraw/zinc/43/96/12/1078439612.db2.gz SEMPWZZFCKTZMN-MSOLQXFVSA-N 1 0 416.522 0.288 20 0 HCADRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000556106794 1078439564 /nfs/dbraw/zinc/43/95/64/1078439564.db2.gz SEMPWZZFCKTZMN-QZTJIDSGSA-N 1 0 416.522 0.288 20 0 HCADRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000556106795 1078439676 /nfs/dbraw/zinc/43/96/76/1078439676.db2.gz SEMPWZZFCKTZMN-ROUUACIJSA-N 1 0 416.522 0.288 20 0 HCADRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000556106796 1078439636 /nfs/dbraw/zinc/43/96/36/1078439636.db2.gz SEMPWZZFCKTZMN-ZWKOTPCHSA-N 1 0 416.522 0.288 20 0 HCADRO CCCNC(=O)c1cccc(CNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000556106910 1078439323 /nfs/dbraw/zinc/43/93/23/1078439323.db2.gz VSNSDYNEGLUHPZ-UHFFFAOYSA-N 1 0 418.538 0.748 20 0 HCADRO CCOCCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000556107297 1078440843 /nfs/dbraw/zinc/44/08/43/1078440843.db2.gz FGLJOBNWKWCXPF-KRWDZBQOSA-N 1 0 410.559 0.758 20 0 HCADRO CCOCCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000556107298 1078440908 /nfs/dbraw/zinc/44/09/08/1078440908.db2.gz FGLJOBNWKWCXPF-QGZVFWFLSA-N 1 0 410.559 0.758 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000556107720 1078440172 /nfs/dbraw/zinc/44/01/72/1078440172.db2.gz GJLODBPVRWYMOP-KRWDZBQOSA-N 1 0 424.567 0.722 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000556107722 1078440150 /nfs/dbraw/zinc/44/01/50/1078440150.db2.gz GJLODBPVRWYMOP-QGZVFWFLSA-N 1 0 424.567 0.722 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000556107801 1078440120 /nfs/dbraw/zinc/44/01/20/1078440120.db2.gz ICIUOMAZVDNWSO-GOSISDBHSA-N 1 0 421.586 0.380 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000556107802 1078440053 /nfs/dbraw/zinc/44/00/53/1078440053.db2.gz ICIUOMAZVDNWSO-SFHVURJKSA-N 1 0 421.586 0.380 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000556108730 1078441696 /nfs/dbraw/zinc/44/16/96/1078441696.db2.gz BHEZASLJXPHIRT-AEFFLSMTSA-N 1 0 401.511 0.679 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000556108731 1078441724 /nfs/dbraw/zinc/44/17/24/1078441724.db2.gz BHEZASLJXPHIRT-FUHWJXTLSA-N 1 0 401.511 0.679 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000556108732 1078441718 /nfs/dbraw/zinc/44/17/18/1078441718.db2.gz BHEZASLJXPHIRT-SJLPKXTDSA-N 1 0 401.511 0.679 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000556108733 1078441651 /nfs/dbraw/zinc/44/16/51/1078441651.db2.gz BHEZASLJXPHIRT-WMZOPIPTSA-N 1 0 401.511 0.679 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000556109187 1078442896 /nfs/dbraw/zinc/44/28/96/1078442896.db2.gz XITFYHJEVKNCSN-MOPGFXCFSA-N 1 0 421.586 0.522 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000556109188 1078442810 /nfs/dbraw/zinc/44/28/10/1078442810.db2.gz XITFYHJEVKNCSN-OALUTQOASA-N 1 0 421.586 0.522 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000556109189 1078443182 /nfs/dbraw/zinc/44/31/82/1078443182.db2.gz XITFYHJEVKNCSN-RBUKOAKNSA-N 1 0 421.586 0.522 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000556109190 1078443161 /nfs/dbraw/zinc/44/31/61/1078443161.db2.gz XITFYHJEVKNCSN-RTBURBONSA-N 1 0 421.586 0.522 20 0 HCADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000556109523 1078442572 /nfs/dbraw/zinc/44/25/72/1078442572.db2.gz BYLZTDLXEQKAIF-GOSISDBHSA-N 1 0 402.539 0.946 20 0 HCADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000556109529 1078442577 /nfs/dbraw/zinc/44/25/77/1078442577.db2.gz BYLZTDLXEQKAIF-SFHVURJKSA-N 1 0 402.539 0.946 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000556109547 1078442581 /nfs/dbraw/zinc/44/25/81/1078442581.db2.gz CDRRHZKPWYYTRH-CVEARBPZSA-N 1 0 414.514 0.152 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000556109549 1078442588 /nfs/dbraw/zinc/44/25/88/1078442588.db2.gz CDRRHZKPWYYTRH-HOTGVXAUSA-N 1 0 414.514 0.152 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000556109552 1078442610 /nfs/dbraw/zinc/44/26/10/1078442610.db2.gz CDRRHZKPWYYTRH-HZPDHXFCSA-N 1 0 414.514 0.152 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000556109554 1078442567 /nfs/dbraw/zinc/44/25/67/1078442567.db2.gz CDRRHZKPWYYTRH-JKSUJKDBSA-N 1 0 414.514 0.152 20 0 HCADRO CCN(C(=O)C(=O)N[C@@H](C)CN1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556110057 1078443197 /nfs/dbraw/zinc/44/31/97/1078443197.db2.gz OXKZKMHNFXSRFB-AZUAARDMSA-N 1 0 402.539 0.946 20 0 HCADRO CCN(C(=O)C(=O)N[C@@H](C)CN1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556110059 1078443165 /nfs/dbraw/zinc/44/31/65/1078443165.db2.gz OXKZKMHNFXSRFB-ICSRJNTNSA-N 1 0 402.539 0.946 20 0 HCADRO CCN(C(=O)C(=O)N[C@H](C)CN1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556110061 1078443174 /nfs/dbraw/zinc/44/31/74/1078443174.db2.gz OXKZKMHNFXSRFB-QUCCMNQESA-N 1 0 402.539 0.946 20 0 HCADRO CCN(C(=O)C(=O)N[C@H](C)CN1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556110064 1078443139 /nfs/dbraw/zinc/44/31/39/1078443139.db2.gz OXKZKMHNFXSRFB-UYAOXDASSA-N 1 0 402.539 0.946 20 0 HCADRO O=C(NCC1(N2CCOCC2)CC1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000556110368 1078443811 /nfs/dbraw/zinc/44/38/11/1078443811.db2.gz SKENUCRSOVRFKI-IBGZPJMESA-N 1 0 400.523 0.921 20 0 HCADRO O=C(NCC1(N2CCOCC2)CC1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000556110370 1078443850 /nfs/dbraw/zinc/44/38/50/1078443850.db2.gz SKENUCRSOVRFKI-LJQANCHMSA-N 1 0 400.523 0.921 20 0 HCADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000556110413 1078444031 /nfs/dbraw/zinc/44/40/31/1078444031.db2.gz SOQSWUQIJBKDKG-KYJSFNMBSA-N 1 0 404.515 0.330 20 0 HCADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000556110414 1078444026 /nfs/dbraw/zinc/44/40/26/1078444026.db2.gz SOQSWUQIJBKDKG-LESCRADOSA-N 1 0 404.515 0.330 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000556110690 1078443802 /nfs/dbraw/zinc/44/38/02/1078443802.db2.gz XFYIFQDILZSHLW-GOSISDBHSA-N 1 0 415.538 0.760 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000556110693 1078443736 /nfs/dbraw/zinc/44/37/36/1078443736.db2.gz XFYIFQDILZSHLW-SFHVURJKSA-N 1 0 415.538 0.760 20 0 HCADRO 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C[C@@H](CN1CCOCC1)NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556113701 1078445931 /nfs/dbraw/zinc/44/59/31/1078445931.db2.gz VBGQTHDCUHTKLE-ICSRJNTNSA-N 1 0 402.539 0.804 20 0 HCADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556113703 1078446088 /nfs/dbraw/zinc/44/60/88/1078446088.db2.gz VBGQTHDCUHTKLE-QUCCMNQESA-N 1 0 402.539 0.804 20 0 HCADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556113705 1078445970 /nfs/dbraw/zinc/44/59/70/1078445970.db2.gz VBGQTHDCUHTKLE-UYAOXDASSA-N 1 0 402.539 0.804 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000556113747 1078446357 /nfs/dbraw/zinc/44/63/57/1078446357.db2.gz VHRGONFQOXTMPS-MSOLQXFVSA-N 1 0 422.551 0.480 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000556113749 1078446294 /nfs/dbraw/zinc/44/62/94/1078446294.db2.gz VHRGONFQOXTMPS-QZTJIDSGSA-N 1 0 422.551 0.480 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000556113752 1078446251 /nfs/dbraw/zinc/44/62/51/1078446251.db2.gz VHRGONFQOXTMPS-ROUUACIJSA-N 1 0 422.551 0.480 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000556113754 1078446363 /nfs/dbraw/zinc/44/63/63/1078446363.db2.gz VHRGONFQOXTMPS-ZWKOTPCHSA-N 1 0 422.551 0.480 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000556114026 1078445649 /nfs/dbraw/zinc/44/56/49/1078445649.db2.gz YZDORNJMTQIDOJ-CVEARBPZSA-N 1 0 402.561 0.297 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000556114028 1078445619 /nfs/dbraw/zinc/44/56/19/1078445619.db2.gz YZDORNJMTQIDOJ-HOTGVXAUSA-N 1 0 402.561 0.297 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000556114029 1078446002 /nfs/dbraw/zinc/44/60/02/1078446002.db2.gz YZDORNJMTQIDOJ-HZPDHXFCSA-N 1 0 402.561 0.297 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000556114031 1078445913 /nfs/dbraw/zinc/44/59/13/1078445913.db2.gz YZDORNJMTQIDOJ-JKSUJKDBSA-N 1 0 402.561 0.297 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C[C@@H](CO)O1 ZINC000556114047 1078446016 /nfs/dbraw/zinc/44/60/16/1078446016.db2.gz RCYOWEFXTOVTRZ-HOJAQTOUSA-N 1 0 418.538 0.090 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C[C@H](CO)O1 ZINC000556114048 1078445982 /nfs/dbraw/zinc/44/59/82/1078445982.db2.gz RCYOWEFXTOVTRZ-MISYRCLQSA-N 1 0 418.538 0.090 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C[C@H](CO)O1 ZINC000556114049 1078446041 /nfs/dbraw/zinc/44/60/41/1078446041.db2.gz RCYOWEFXTOVTRZ-RLLQIKCJSA-N 1 0 418.538 0.090 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C[C@@H](CO)O1 ZINC000556114050 1078446071 /nfs/dbraw/zinc/44/60/71/1078446071.db2.gz RCYOWEFXTOVTRZ-YZGWKJHDSA-N 1 0 418.538 0.090 20 0 HCADRO Cn1ccc(CCNC(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)n1 ZINC000556114213 1078449461 /nfs/dbraw/zinc/44/94/61/1078449461.db2.gz ABXWKHFFZTUGLR-FQEVSTJZSA-N 1 0 412.538 0.574 20 0 HCADRO Cn1ccc(CCNC(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000556114214 1078449907 /nfs/dbraw/zinc/44/99/07/1078449907.db2.gz ABXWKHFFZTUGLR-HXUWFJFHSA-N 1 0 412.538 0.574 20 0 HCADRO C[S@@](=O)C1(CNC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000556114331 1078438727 /nfs/dbraw/zinc/43/87/27/1078438727.db2.gz VKPSLHJMLIFCER-GDLZYMKVSA-N 1 0 420.579 0.338 20 0 HCADRO C[S@](=O)C1(CNC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000556114332 1078438772 /nfs/dbraw/zinc/43/87/72/1078438772.db2.gz VKPSLHJMLIFCER-LJAQVGFWSA-N 1 0 420.579 0.338 20 0 HCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000556114334 1078438925 /nfs/dbraw/zinc/43/89/25/1078438925.db2.gz VMRUTWDWVSCXRB-FQEVSTJZSA-N 1 0 424.549 0.707 20 0 HCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000556114335 1078438836 /nfs/dbraw/zinc/43/88/36/1078438836.db2.gz VMRUTWDWVSCXRB-HXUWFJFHSA-N 1 0 424.549 0.707 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000556114368 1078441686 /nfs/dbraw/zinc/44/16/86/1078441686.db2.gz WPVKPSHREYWZCA-HNNXBMFYSA-N 1 0 424.567 0.838 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000556114369 1078441715 /nfs/dbraw/zinc/44/17/15/1078441715.db2.gz WPVKPSHREYWZCA-OAHLLOKOSA-N 1 0 424.567 0.838 20 0 HCADRO CC(C)N1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000556114384 1078438621 /nfs/dbraw/zinc/43/86/21/1078438621.db2.gz WUIWRQQPSIDIKI-IBGZPJMESA-N 1 0 415.538 0.440 20 0 HCADRO CC(C)N1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000556114385 1078438517 /nfs/dbraw/zinc/43/85/17/1078438517.db2.gz WUIWRQQPSIDIKI-LJQANCHMSA-N 1 0 415.538 0.440 20 0 HCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC1CCOCC1 ZINC000556114410 1078449650 /nfs/dbraw/zinc/44/96/50/1078449650.db2.gz CSWZUTVLKSGDNU-UHFFFAOYSA-N 1 0 402.539 0.853 20 0 HCADRO CCN1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000556114438 1078438465 /nfs/dbraw/zinc/43/84/65/1078438465.db2.gz DMUNXFDOVSXQSC-UHFFFAOYSA-N 1 0 401.511 0.006 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000556114456 1078438479 /nfs/dbraw/zinc/43/84/79/1078438479.db2.gz DXWVENULDZGQMG-UHFFFAOYSA-N 1 0 413.522 0.148 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000556114475 1078438598 /nfs/dbraw/zinc/43/85/98/1078438598.db2.gz FNCWAYXYDGJJOA-KRWDZBQOSA-N 1 0 422.551 0.688 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000556114476 1078438560 /nfs/dbraw/zinc/43/85/60/1078438560.db2.gz FNCWAYXYDGJJOA-QGZVFWFLSA-N 1 0 422.551 0.688 20 0 HCADRO NC(=O)C[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556114521 1078438409 /nfs/dbraw/zinc/43/84/09/1078438409.db2.gz XVYDIFQZNLNUOL-GOSISDBHSA-N 1 0 415.538 0.429 20 0 HCADRO NC(=O)C[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556114522 1078438505 /nfs/dbraw/zinc/43/85/05/1078438505.db2.gz XVYDIFQZNLNUOL-SFHVURJKSA-N 1 0 415.538 0.429 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000556114525 1078438526 /nfs/dbraw/zinc/43/85/26/1078438526.db2.gz XXYBDUJACPWHFY-KRWDZBQOSA-N 1 0 422.551 0.688 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000556114526 1078438489 /nfs/dbraw/zinc/43/84/89/1078438489.db2.gz XXYBDUJACPWHFY-QGZVFWFLSA-N 1 0 422.551 0.688 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2COCCO2)[C@H](c2ccccc2)C1 ZINC000556114644 1078438173 /nfs/dbraw/zinc/43/81/73/1078438173.db2.gz HGYHZNKMZGXFHL-MOPGFXCFSA-N 1 0 404.511 0.013 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@H]2COCCO2)[C@H](c2ccccc2)C1 ZINC000556114645 1078438160 /nfs/dbraw/zinc/43/81/60/1078438160.db2.gz HGYHZNKMZGXFHL-OALUTQOASA-N 1 0 404.511 0.013 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@H]2COCCO2)[C@@H](c2ccccc2)C1 ZINC000556114646 1078438426 /nfs/dbraw/zinc/43/84/26/1078438426.db2.gz HGYHZNKMZGXFHL-RBUKOAKNSA-N 1 0 404.511 0.013 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2COCCO2)[C@@H](c2ccccc2)C1 ZINC000556114647 1078438567 /nfs/dbraw/zinc/43/85/67/1078438567.db2.gz HGYHZNKMZGXFHL-RTBURBONSA-N 1 0 404.511 0.013 20 0 HCADRO COC[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000556114900 1078437832 /nfs/dbraw/zinc/43/78/32/1078437832.db2.gz MVGZZTOLNLYOGG-AZUAARDMSA-N 1 0 402.539 0.976 20 0 HCADRO COC[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000556114901 1078437906 /nfs/dbraw/zinc/43/79/06/1078437906.db2.gz MVGZZTOLNLYOGG-ICSRJNTNSA-N 1 0 402.539 0.976 20 0 HCADRO COC[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000556114904 1078437858 /nfs/dbraw/zinc/43/78/58/1078437858.db2.gz MVGZZTOLNLYOGG-QUCCMNQESA-N 1 0 402.539 0.976 20 0 HCADRO COC[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000556114906 1078437892 /nfs/dbraw/zinc/43/78/92/1078437892.db2.gz MVGZZTOLNLYOGG-UYAOXDASSA-N 1 0 402.539 0.976 20 0 HCADRO CN1CCC[C@H](NC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000556115122 1078449943 /nfs/dbraw/zinc/44/99/43/1078449943.db2.gz PRHMUIQSIGUHDG-IBGZPJMESA-N 1 0 415.538 0.048 20 0 HCADRO CN1CCC[C@@H](NC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000556115127 1078450189 /nfs/dbraw/zinc/45/01/89/1078450189.db2.gz PRHMUIQSIGUHDG-LJQANCHMSA-N 1 0 415.538 0.048 20 0 HCADRO NC(=O)c1ccc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000556115182 1078450785 /nfs/dbraw/zinc/45/07/85/1078450785.db2.gz FIYWOXOZUBMHBM-UHFFFAOYSA-N 1 0 423.517 0.730 20 0 HCADRO CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CC1=O ZINC000556115388 1078450772 /nfs/dbraw/zinc/45/07/72/1078450772.db2.gz RBJONBJYNGMPIF-IBGZPJMESA-N 1 0 415.538 0.172 20 0 HCADRO CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CC1=O ZINC000556115390 1078450815 /nfs/dbraw/zinc/45/08/15/1078450815.db2.gz RBJONBJYNGMPIF-LJQANCHMSA-N 1 0 415.538 0.172 20 0 HCADRO Cc1cnc(CCNC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000556115747 1078450426 /nfs/dbraw/zinc/45/04/26/1078450426.db2.gz KCKZPWZZGIBZJM-UHFFFAOYSA-N 1 0 424.549 0.768 20 0 HCADRO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556115785 1078450473 /nfs/dbraw/zinc/45/04/73/1078450473.db2.gz VIGKUAFQQDAKRA-AZUAARDMSA-N 1 0 402.539 0.934 20 0 HCADRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556115786 1078450393 /nfs/dbraw/zinc/45/03/93/1078450393.db2.gz VIGKUAFQQDAKRA-ICSRJNTNSA-N 1 0 402.539 0.934 20 0 HCADRO CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556115787 1078450495 /nfs/dbraw/zinc/45/04/95/1078450495.db2.gz VIGKUAFQQDAKRA-QUCCMNQESA-N 1 0 402.539 0.934 20 0 HCADRO CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556115789 1078450535 /nfs/dbraw/zinc/45/05/35/1078450535.db2.gz VIGKUAFQQDAKRA-UYAOXDASSA-N 1 0 402.539 0.934 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000556115794 1078450517 /nfs/dbraw/zinc/45/05/17/1078450517.db2.gz LHDHGQVVAJEUBC-AWEZNQCLSA-N 1 0 410.540 0.400 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000556115796 1078450450 /nfs/dbraw/zinc/45/04/50/1078450450.db2.gz LHDHGQVVAJEUBC-CQSZACIVSA-N 1 0 410.540 0.400 20 0 HCADRO CC(C)N(C[C@H](C)O)C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000556115885 1078450780 /nfs/dbraw/zinc/45/07/80/1078450780.db2.gz MPZQJOWKGVNXLC-IBGZPJMESA-N 1 0 404.555 0.928 20 0 HCADRO CC(C)N(C[C@@H](C)O)C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000556115886 1078450788 /nfs/dbraw/zinc/45/07/88/1078450788.db2.gz MPZQJOWKGVNXLC-LJQANCHMSA-N 1 0 404.555 0.928 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CC(=O)N1C ZINC000556115906 1078450120 /nfs/dbraw/zinc/45/01/20/1078450120.db2.gz WKPNPQMUMVMLIF-HKUYNNGSSA-N 1 0 415.538 0.171 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CC(=O)N1C ZINC000556115907 1078449963 /nfs/dbraw/zinc/44/99/63/1078449963.db2.gz WKPNPQMUMVMLIF-IEBWSBKVSA-N 1 0 415.538 0.171 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CC(=O)N1C ZINC000556115908 1078450170 /nfs/dbraw/zinc/45/01/70/1078450170.db2.gz WKPNPQMUMVMLIF-MJGOQNOKSA-N 1 0 415.538 0.171 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CC(=O)N1C ZINC000556115910 1078450049 /nfs/dbraw/zinc/45/00/49/1078450049.db2.gz WKPNPQMUMVMLIF-PKOBYXMFSA-N 1 0 415.538 0.171 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCSC[C@@H]1CCO ZINC000556116025 1078450411 /nfs/dbraw/zinc/45/04/11/1078450411.db2.gz XNYMGPIKCKIEFK-IBGZPJMESA-N 1 0 420.579 0.641 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCSC[C@H]1CCO ZINC000556116026 1078450371 /nfs/dbraw/zinc/45/03/71/1078450371.db2.gz XNYMGPIKCKIEFK-LJQANCHMSA-N 1 0 420.579 0.641 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)[C@H](c2ccccc2)C1 ZINC000556116107 1078450915 /nfs/dbraw/zinc/45/09/15/1078450915.db2.gz PCVFJDMDXKFKAR-MOPGFXCFSA-N 1 0 415.538 0.218 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)[C@H](c2ccccc2)C1 ZINC000556116109 1078450956 /nfs/dbraw/zinc/45/09/56/1078450956.db2.gz PCVFJDMDXKFKAR-OALUTQOASA-N 1 0 415.538 0.218 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)[C@@H](c2ccccc2)C1 ZINC000556116111 1078450792 /nfs/dbraw/zinc/45/07/92/1078450792.db2.gz PCVFJDMDXKFKAR-RBUKOAKNSA-N 1 0 415.538 0.218 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)[C@@H](c2ccccc2)C1 ZINC000556116113 1078450874 /nfs/dbraw/zinc/45/08/74/1078450874.db2.gz PCVFJDMDXKFKAR-RTBURBONSA-N 1 0 415.538 0.218 20 0 HCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N(CCO)C1CCC1 ZINC000556116635 1078451313 /nfs/dbraw/zinc/45/13/13/1078451313.db2.gz XDIANZNTRATRJM-UHFFFAOYSA-N 1 0 402.539 0.684 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000556116644 1078451281 /nfs/dbraw/zinc/45/12/81/1078451281.db2.gz XFXWPIKZUUUDLY-GOSISDBHSA-N 1 0 410.522 0.712 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000556116645 1078451320 /nfs/dbraw/zinc/45/13/20/1078451320.db2.gz XFXWPIKZUUUDLY-SFHVURJKSA-N 1 0 410.522 0.712 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000556116652 1078451297 /nfs/dbraw/zinc/45/12/97/1078451297.db2.gz XMKUOSDBCKRBTE-GOSISDBHSA-N 1 0 410.522 0.643 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000556116653 1078451266 /nfs/dbraw/zinc/45/12/66/1078451266.db2.gz XMKUOSDBCKRBTE-SFHVURJKSA-N 1 0 410.522 0.643 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000556116760 1078451749 /nfs/dbraw/zinc/45/17/49/1078451749.db2.gz ZZCVRXWMCAGFLI-UHFFFAOYSA-N 1 0 422.551 0.688 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000556117559 1078452070 /nfs/dbraw/zinc/45/20/70/1078452070.db2.gz QNRTZLCJMRQOFB-UHFFFAOYSA-N 1 0 410.540 0.449 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)[C@H](c2ccccc2)C1 ZINC000556118015 1078452115 /nfs/dbraw/zinc/45/21/15/1078452115.db2.gz VPPLUOCAIGHMOQ-CTNGQTDRSA-N 1 0 424.549 0.878 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)[C@H](c2ccccc2)C1 ZINC000556118016 1078452241 /nfs/dbraw/zinc/45/22/41/1078452241.db2.gz VPPLUOCAIGHMOQ-FPOVZHCZSA-N 1 0 424.549 0.878 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)[C@@H](c2ccccc2)C1 ZINC000556118017 1078451996 /nfs/dbraw/zinc/45/19/96/1078451996.db2.gz VPPLUOCAIGHMOQ-PZJWPPBQSA-N 1 0 424.549 0.878 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)[C@@H](c2ccccc2)C1 ZINC000556118018 1078452079 /nfs/dbraw/zinc/45/20/79/1078452079.db2.gz VPPLUOCAIGHMOQ-TZIWHRDSSA-N 1 0 424.549 0.878 20 0 HCADRO C[S@@](=O)C1(CNC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000556118230 1078452436 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/nfs/dbraw/zinc/46/22/61/1078462261.db2.gz HDDNBYZQHHRSDV-INIZCTEOSA-N 1 0 420.510 0.435 20 0 HCADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556150041 1078462467 /nfs/dbraw/zinc/46/24/67/1078462467.db2.gz SRSKBDVAYDFRMQ-FQEVSTJZSA-N 1 0 402.539 0.976 20 0 HCADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556150043 1078462515 /nfs/dbraw/zinc/46/25/15/1078462515.db2.gz SRSKBDVAYDFRMQ-HXUWFJFHSA-N 1 0 402.539 0.976 20 0 HCADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556151657 1078464200 /nfs/dbraw/zinc/46/42/00/1078464200.db2.gz SNROOBHJUXQALJ-AZUAARDMSA-N 1 0 402.539 0.976 20 0 HCADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556151658 1078464166 /nfs/dbraw/zinc/46/41/66/1078464166.db2.gz SNROOBHJUXQALJ-ICSRJNTNSA-N 1 0 402.539 0.976 20 0 HCADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556151659 1078464195 /nfs/dbraw/zinc/46/41/95/1078464195.db2.gz SNROOBHJUXQALJ-QUCCMNQESA-N 1 0 402.539 0.976 20 0 HCADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556151660 1078464161 /nfs/dbraw/zinc/46/41/61/1078464161.db2.gz SNROOBHJUXQALJ-UYAOXDASSA-N 1 0 402.539 0.976 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2ccc(OC(C)C)nc2)CC1 ZINC000556151827 1078464005 /nfs/dbraw/zinc/46/40/05/1078464005.db2.gz ZNGYEOWRKQTOGX-KRWDZBQOSA-N 1 0 405.543 0.875 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCc2ccc(OC(C)C)nc2)CC1 ZINC000556151828 1078463836 /nfs/dbraw/zinc/46/38/36/1078463836.db2.gz ZNGYEOWRKQTOGX-QGZVFWFLSA-N 1 0 405.543 0.875 20 0 HCADRO COc1cccc(CCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1OC ZINC000556152706 1078464923 /nfs/dbraw/zinc/46/49/23/1078464923.db2.gz CSOCDZVSVLGTQO-UHFFFAOYSA-N 1 0 419.522 0.933 20 0 HCADRO COc1cccc(CCNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)c1OC ZINC000556155537 1078466458 /nfs/dbraw/zinc/46/64/58/1078466458.db2.gz NPRLHZLYUBGHGR-UHFFFAOYSA-N 1 0 406.527 0.458 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCO[C@H]2CCCC[C@H]2C)CC1 ZINC000556155756 1078465946 /nfs/dbraw/zinc/46/59/46/1078465946.db2.gz PVVGCCBQBJRPFS-MSOLQXFVSA-N 1 0 410.559 0.711 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000556155757 1078466052 /nfs/dbraw/zinc/46/60/52/1078466052.db2.gz PVVGCCBQBJRPFS-QZTJIDSGSA-N 1 0 410.559 0.711 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000556155758 1078466023 /nfs/dbraw/zinc/46/60/23/1078466023.db2.gz PVVGCCBQBJRPFS-ROUUACIJSA-N 1 0 410.559 0.711 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000556155759 1078466081 /nfs/dbraw/zinc/46/60/81/1078466081.db2.gz PVVGCCBQBJRPFS-ZWKOTPCHSA-N 1 0 410.559 0.711 20 0 HCADRO Cc1ccc(CCNC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)o1 ZINC000556157108 1078466769 /nfs/dbraw/zinc/46/67/69/1078466769.db2.gz FIQVPYRZSVFOGD-UHFFFAOYSA-N 1 0 406.527 0.990 20 0 HCADRO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NCc2cccc(C(N)=O)c2)CC1 ZINC000556157334 1078467252 /nfs/dbraw/zinc/46/72/52/1078467252.db2.gz MKQUSNHDYFXHNL-UHFFFAOYSA-N 1 0 404.511 0.751 20 0 HCADRO Cc1nc(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)nn1C ZINC000556159441 1078468507 /nfs/dbraw/zinc/46/85/07/1078468507.db2.gz NEOVIGQPVFPJKA-IAGOWNOFSA-N 1 0 405.547 0.858 20 0 HCADRO Cc1nc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)nn1C ZINC000556159443 1078468624 /nfs/dbraw/zinc/46/86/24/1078468624.db2.gz NEOVIGQPVFPJKA-SJORKVTESA-N 1 0 405.547 0.858 20 0 HCADRO COc1cccc(CCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1OC ZINC000556161228 1078465764 /nfs/dbraw/zinc/46/57/64/1078465764.db2.gz DEFJMUHKMCXNAF-KRWDZBQOSA-N 1 0 419.522 0.933 20 0 HCADRO COc1cccc(CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1OC ZINC000556161229 1078465704 /nfs/dbraw/zinc/46/57/04/1078465704.db2.gz DEFJMUHKMCXNAF-QGZVFWFLSA-N 1 0 419.522 0.933 20 0 HCADRO COCCOc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000556163641 1078474969 /nfs/dbraw/zinc/47/49/69/1078474969.db2.gz PLIASMODRSBGMS-IBGZPJMESA-N 1 0 419.522 0.899 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556164489 1078476394 /nfs/dbraw/zinc/47/63/94/1078476394.db2.gz FWMZDBNDQAQZGA-AHRSYUTCSA-N 1 0 400.523 0.775 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556164490 1078476432 /nfs/dbraw/zinc/47/64/32/1078476432.db2.gz FWMZDBNDQAQZGA-LSTHTHJFSA-N 1 0 400.523 0.775 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556164491 1078476258 /nfs/dbraw/zinc/47/62/58/1078476258.db2.gz FWMZDBNDQAQZGA-NSISKUIASA-N 1 0 400.523 0.775 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556164492 1078476359 /nfs/dbraw/zinc/47/63/59/1078476359.db2.gz FWMZDBNDQAQZGA-UXPWSPDFSA-N 1 0 400.523 0.775 20 0 HCADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556165199 1078469015 /nfs/dbraw/zinc/46/90/15/1078469015.db2.gz LSESVLMTWRHUQL-FXAWDEMLSA-N 1 0 400.523 0.777 20 0 HCADRO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556165200 1078469063 /nfs/dbraw/zinc/46/90/63/1078469063.db2.gz LSESVLMTWRHUQL-PXNSSMCTSA-N 1 0 400.523 0.777 20 0 HCADRO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556165201 1078468918 /nfs/dbraw/zinc/46/89/18/1078468918.db2.gz LSESVLMTWRHUQL-XLIONFOSSA-N 1 0 400.523 0.777 20 0 HCADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556165202 1078468851 /nfs/dbraw/zinc/46/88/51/1078468851.db2.gz LSESVLMTWRHUQL-YLJYHZDGSA-N 1 0 400.523 0.777 20 0 HCADRO C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000556165749 1078469383 /nfs/dbraw/zinc/46/93/83/1078469383.db2.gz QBNAOXFKSYHGBY-INIZCTEOSA-N 1 0 404.486 0.640 20 0 HCADRO C[C@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000556165752 1078469394 /nfs/dbraw/zinc/46/93/94/1078469394.db2.gz QBNAOXFKSYHGBY-MRXNPFEDSA-N 1 0 404.486 0.640 20 0 HCADRO C[C@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000556166188 1078470808 /nfs/dbraw/zinc/47/08/08/1078470808.db2.gz RDWXPRNGXUZWFH-CRAIPNDOSA-N 1 0 404.486 0.638 20 0 HCADRO C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000556166194 1078470641 /nfs/dbraw/zinc/47/06/41/1078470641.db2.gz RDWXPRNGXUZWFH-MAUKXSAKSA-N 1 0 404.486 0.638 20 0 HCADRO C[C@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000556166196 1078470805 /nfs/dbraw/zinc/47/08/05/1078470805.db2.gz RDWXPRNGXUZWFH-QAPCUYQASA-N 1 0 404.486 0.638 20 0 HCADRO C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000556166199 1078470587 /nfs/dbraw/zinc/47/05/87/1078470587.db2.gz RDWXPRNGXUZWFH-YJBOKZPZSA-N 1 0 404.486 0.638 20 0 HCADRO Cc1cc(N2CCC(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)nc(C)n1 ZINC000556166430 1078470085 /nfs/dbraw/zinc/47/00/85/1078470085.db2.gz AQVCBQWUHJEJFK-UHFFFAOYSA-N 1 0 418.542 0.407 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)CC2 ZINC000556166472 1078470069 /nfs/dbraw/zinc/47/00/69/1078470069.db2.gz BWTSVJLMHAWIII-CVEARBPZSA-N 1 0 406.531 0.626 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000556166473 1078470173 /nfs/dbraw/zinc/47/01/73/1078470173.db2.gz BWTSVJLMHAWIII-HOTGVXAUSA-N 1 0 406.531 0.626 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)CC2 ZINC000556166474 1078470157 /nfs/dbraw/zinc/47/01/57/1078470157.db2.gz BWTSVJLMHAWIII-HZPDHXFCSA-N 1 0 406.531 0.626 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000556166475 1078470078 /nfs/dbraw/zinc/47/00/78/1078470078.db2.gz BWTSVJLMHAWIII-JKSUJKDBSA-N 1 0 406.531 0.626 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556167101 1078469685 /nfs/dbraw/zinc/46/96/85/1078469685.db2.gz XJEUDKOEHWANMI-PMACEKPBSA-N 1 0 418.538 0.403 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556167102 1078469773 /nfs/dbraw/zinc/46/97/73/1078469773.db2.gz XJEUDKOEHWANMI-UXHICEINSA-N 1 0 418.538 0.403 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556167103 1078469930 /nfs/dbraw/zinc/46/99/30/1078469930.db2.gz XJEUDKOEHWANMI-VQTJNVASSA-N 1 0 418.538 0.403 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556167104 1078470133 /nfs/dbraw/zinc/47/01/33/1078470133.db2.gz XJEUDKOEHWANMI-WOJBJXKFSA-N 1 0 418.538 0.403 20 0 HCADRO COc1ccc(CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)cc1NC(C)=O ZINC000556167623 1078471466 /nfs/dbraw/zinc/47/14/66/1078471466.db2.gz ORYBKERJUFXLDM-UHFFFAOYSA-N 1 0 406.483 0.498 20 0 HCADRO CC[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C[C@@]2(CCOC2)O1 ZINC000556167626 1078471483 /nfs/dbraw/zinc/47/14/83/1078471483.db2.gz OTRAFSPYRQZUPT-GHTZIAJQSA-N 1 0 410.559 0.317 20 0 HCADRO CC[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C[C@]2(CCOC2)O1 ZINC000556167627 1078471433 /nfs/dbraw/zinc/47/14/33/1078471433.db2.gz OTRAFSPYRQZUPT-NQIIRXRSSA-N 1 0 410.559 0.317 20 0 HCADRO CC[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C[C@]2(CCOC2)O1 ZINC000556167628 1078471548 /nfs/dbraw/zinc/47/15/48/1078471548.db2.gz OTRAFSPYRQZUPT-RXVVDRJESA-N 1 0 410.559 0.317 20 0 HCADRO CC[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C[C@@]2(CCOC2)O1 ZINC000556167629 1078471458 /nfs/dbraw/zinc/47/14/58/1078471458.db2.gz OTRAFSPYRQZUPT-WIYYLYMNSA-N 1 0 410.559 0.317 20 0 HCADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)c(C)o1 ZINC000556167671 1078471445 /nfs/dbraw/zinc/47/14/45/1078471445.db2.gz QCTPKABEXOFCJO-UHFFFAOYSA-N 1 0 420.510 0.409 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000556167680 1078471496 /nfs/dbraw/zinc/47/14/96/1078471496.db2.gz QLWAJIDIUXAQAV-UHFFFAOYSA-N 1 0 413.526 0.417 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)CC1 ZINC000556167690 1078471572 /nfs/dbraw/zinc/47/15/72/1078471572.db2.gz QTRURVYCOBBNNM-AYEUKFJJSA-N 1 0 414.616 0.716 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)CC1 ZINC000556167691 1078471452 /nfs/dbraw/zinc/47/14/52/1078471452.db2.gz QTRURVYCOBBNNM-JAGNJQOISA-N 1 0 414.616 0.716 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([S@](=O)CC)C2)CC1 ZINC000556167692 1078471426 /nfs/dbraw/zinc/47/14/26/1078471426.db2.gz QTRURVYCOBBNNM-WJSCTFBISA-N 1 0 414.616 0.716 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)CC1 ZINC000556167693 1078471507 /nfs/dbraw/zinc/47/15/07/1078471507.db2.gz QTRURVYCOBBNNM-YAHRNXAISA-N 1 0 414.616 0.716 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CCc3ccccc3)CC2)CC1 ZINC000556167710 1078471524 /nfs/dbraw/zinc/47/15/24/1078471524.db2.gz RNBRURZLBOGJMW-UHFFFAOYSA-N 1 0 415.582 0.517 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000556167878 1078470773 /nfs/dbraw/zinc/47/07/73/1078470773.db2.gz XAAXJBLESBNMFH-GOSISDBHSA-N 1 0 409.575 0.284 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000556167879 1078470630 /nfs/dbraw/zinc/47/06/30/1078470630.db2.gz XAAXJBLESBNMFH-SFHVURJKSA-N 1 0 409.575 0.284 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000556167913 1078470744 /nfs/dbraw/zinc/47/07/44/1078470744.db2.gz XUEAKVKFAZSBOZ-KRWDZBQOSA-N 1 0 409.575 0.426 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000556167914 1078470690 /nfs/dbraw/zinc/47/06/90/1078470690.db2.gz XUEAKVKFAZSBOZ-QGZVFWFLSA-N 1 0 409.575 0.426 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)NCc1ccccc1N1CCOCC1 ZINC000556167920 1078470797 /nfs/dbraw/zinc/47/07/97/1078470797.db2.gz XXIFACSIEHMMKY-UHFFFAOYSA-N 1 0 404.511 0.368 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000556167923 1078471101 /nfs/dbraw/zinc/47/11/01/1078471101.db2.gz YCZIFWUFRHDEHO-HZPDHXFCSA-N 1 0 402.561 0.297 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000556167924 1078471007 /nfs/dbraw/zinc/47/10/07/1078471007.db2.gz YCZIFWUFRHDEHO-JKSUJKDBSA-N 1 0 402.561 0.297 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NCCc2c[nH]c3ncccc23)CC1 ZINC000556168046 1078470790 /nfs/dbraw/zinc/47/07/90/1078470790.db2.gz CGYWXGZPAOAGAF-UHFFFAOYSA-N 1 0 400.527 0.756 20 0 HCADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000556168137 1078472044 /nfs/dbraw/zinc/47/20/44/1078472044.db2.gz GMEJXXQHNGVRLT-BTYIYWSLSA-N 1 0 421.542 0.451 20 0 HCADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000556168138 1078472030 /nfs/dbraw/zinc/47/20/30/1078472030.db2.gz GMEJXXQHNGVRLT-QVKFZJNVSA-N 1 0 421.542 0.451 20 0 HCADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000556168139 1078472069 /nfs/dbraw/zinc/47/20/69/1078472069.db2.gz GMEJXXQHNGVRLT-VFNWGFHPSA-N 1 0 421.542 0.451 20 0 HCADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000556168140 1078472049 /nfs/dbraw/zinc/47/20/49/1078472049.db2.gz GMEJXXQHNGVRLT-YCRPNKLZSA-N 1 0 421.542 0.451 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000556168144 1078472066 /nfs/dbraw/zinc/47/20/66/1078472066.db2.gz GRXOCMVIODDCLU-UHFFFAOYSA-N 1 0 413.526 0.417 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC000556168270 1078472971 /nfs/dbraw/zinc/47/29/71/1078472971.db2.gz JYHJPLIUZVLSGW-UHFFFAOYSA-N 1 0 422.961 0.527 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC(Oc2ncccc2F)CC1 ZINC000556168329 1078472621 /nfs/dbraw/zinc/47/26/21/1078472621.db2.gz MBWXDOXILSSVOL-UHFFFAOYSA-N 1 0 408.474 0.819 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000556168425 1078472914 /nfs/dbraw/zinc/47/29/14/1078472914.db2.gz ONAPLZQITQKGMN-UHFFFAOYSA-N 1 0 401.555 0.869 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC000556168476 1078472299 /nfs/dbraw/zinc/47/22/99/1078472299.db2.gz PXZDVZMVCVNAJS-UHFFFAOYSA-N 1 0 409.575 0.237 20 0 HCADRO CCN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000556168581 1078472336 /nfs/dbraw/zinc/47/23/36/1078472336.db2.gz STFPSBLEKVFUNK-IBGZPJMESA-N 1 0 416.522 0.869 20 0 HCADRO CCN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000556168582 1078472463 /nfs/dbraw/zinc/47/24/63/1078472463.db2.gz STFPSBLEKVFUNK-LJQANCHMSA-N 1 0 416.522 0.869 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000556168660 1078472527 /nfs/dbraw/zinc/47/25/27/1078472527.db2.gz WCGRKIPCQRIGAN-MOPGFXCFSA-N 1 0 421.586 0.428 20 0 HCADRO C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000556168706 1078472409 /nfs/dbraw/zinc/47/24/09/1078472409.db2.gz XFDZCVLBOGRBAF-HNNXBMFYSA-N 1 0 412.481 0.992 20 0 HCADRO C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000556168707 1078472577 /nfs/dbraw/zinc/47/25/77/1078472577.db2.gz XFDZCVLBOGRBAF-OAHLLOKOSA-N 1 0 412.481 0.992 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000556168826 1078471987 /nfs/dbraw/zinc/47/19/87/1078471987.db2.gz ZKXJDXDVSNSQLV-FQEVSTJZSA-N 1 0 402.539 0.600 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000556168827 1078472054 /nfs/dbraw/zinc/47/20/54/1078472054.db2.gz ZKXJDXDVSNSQLV-HXUWFJFHSA-N 1 0 402.539 0.600 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556169405 1078473886 /nfs/dbraw/zinc/47/38/86/1078473886.db2.gz BDJQVFJGRZVLAJ-KDURUIRLSA-N 1 0 411.591 0.088 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000556169438 1078474026 /nfs/dbraw/zinc/47/40/26/1078474026.db2.gz CENRFQYKIGKHGF-GOSISDBHSA-N 1 0 404.559 0.835 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000556169439 1078473914 /nfs/dbraw/zinc/47/39/14/1078473914.db2.gz CENRFQYKIGKHGF-SFHVURJKSA-N 1 0 404.559 0.835 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000556169458 1078473975 /nfs/dbraw/zinc/47/39/75/1078473975.db2.gz ACZXDVAPWGIGKO-UHFFFAOYSA-N 1 0 421.508 0.521 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000556169484 1078473469 /nfs/dbraw/zinc/47/34/69/1078473469.db2.gz AUYWHOWVSBAQOZ-INIZCTEOSA-N 1 0 423.508 0.804 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000556169486 1078473444 /nfs/dbraw/zinc/47/34/44/1078473444.db2.gz AUYWHOWVSBAQOZ-MRXNPFEDSA-N 1 0 423.508 0.804 20 0 HCADRO COc1cc(N2CCN(C(=O)C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)ncn1 ZINC000556169500 1078473537 /nfs/dbraw/zinc/47/35/37/1078473537.db2.gz CUXBSBKHINIXPH-KRWDZBQOSA-N 1 0 418.542 0.905 20 0 HCADRO COc1cc(N2CCN(C(=O)C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)ncn1 ZINC000556169502 1078473417 /nfs/dbraw/zinc/47/34/17/1078473417.db2.gz CUXBSBKHINIXPH-QGZVFWFLSA-N 1 0 418.542 0.905 20 0 HCADRO COc1cc(CN(C)C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)cc(OC)c1 ZINC000556169572 1078473402 /nfs/dbraw/zinc/47/34/02/1078473402.db2.gz BLDHFCGQBNVFJR-UHFFFAOYSA-N 1 0 406.527 0.806 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)NCCc2ccc(F)c(F)c2F)CC1 ZINC000556169600 1078473488 /nfs/dbraw/zinc/47/34/88/1078473488.db2.gz DXNFKOVTFAQVSW-UHFFFAOYSA-N 1 0 400.445 0.906 20 0 HCADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000556169709 1078473546 /nfs/dbraw/zinc/47/35/46/1078473546.db2.gz AXSAZFNQRHWLGB-KRWDZBQOSA-N 1 0 418.542 0.057 20 0 HCADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000556169710 1078473561 /nfs/dbraw/zinc/47/35/61/1078473561.db2.gz AXSAZFNQRHWLGB-QGZVFWFLSA-N 1 0 418.542 0.057 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000556169712 1078473388 /nfs/dbraw/zinc/47/33/88/1078473388.db2.gz BHJGZNOUYSEGSO-GOSISDBHSA-N 1 0 418.538 0.819 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000556169713 1078473503 /nfs/dbraw/zinc/47/35/03/1078473503.db2.gz BHJGZNOUYSEGSO-SFHVURJKSA-N 1 0 418.538 0.819 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000556169760 1078473514 /nfs/dbraw/zinc/47/35/14/1078473514.db2.gz CNGZJFSAGGASHK-UHFFFAOYSA-N 1 0 410.465 0.842 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000556169761 1078473437 /nfs/dbraw/zinc/47/34/37/1078473437.db2.gz CNJZUTCQOAKNCR-GOSISDBHSA-N 1 0 408.543 0.655 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000556169762 1078473431 /nfs/dbraw/zinc/47/34/31/1078473431.db2.gz CNJZUTCQOAKNCR-SFHVURJKSA-N 1 0 408.543 0.655 20 0 HCADRO Cn1nc(CCNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)c2ccccc21 ZINC000556169848 1078473008 /nfs/dbraw/zinc/47/30/08/1078473008.db2.gz DUFGTWQNTIKYCO-UHFFFAOYSA-N 1 0 400.527 0.376 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CC1 ZINC000556170117 1078474032 /nfs/dbraw/zinc/47/40/32/1078474032.db2.gz GVYFZURJMKFGAG-UHFFFAOYSA-N 1 0 418.538 0.953 20 0 HCADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000556170185 1078474396 /nfs/dbraw/zinc/47/43/96/1078474396.db2.gz INOYIQDNWMPMCP-IBGZPJMESA-N 1 0 421.586 0.381 20 0 HCADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000556170186 1078474465 /nfs/dbraw/zinc/47/44/65/1078474465.db2.gz INOYIQDNWMPMCP-LJQANCHMSA-N 1 0 421.586 0.381 20 0 HCADRO Cc1nc(CN2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)cs1 ZINC000556170203 1078478874 /nfs/dbraw/zinc/47/88/74/1078478874.db2.gz JGMXKDFJYZMTJN-UHFFFAOYSA-N 1 0 409.556 0.324 20 0 HCADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000556170350 1078477856 /nfs/dbraw/zinc/47/78/56/1078477856.db2.gz HPRXSPAACADAGZ-INIZCTEOSA-N 1 0 402.561 0.251 20 0 HCADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000556170351 1078478056 /nfs/dbraw/zinc/47/80/56/1078478056.db2.gz HPRXSPAACADAGZ-MRXNPFEDSA-N 1 0 402.561 0.251 20 0 HCADRO Cc1ccccc1N1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000556170382 1078477959 /nfs/dbraw/zinc/47/79/59/1078477959.db2.gz ICXUYNJEWGPEDR-UHFFFAOYSA-N 1 0 401.555 0.787 20 0 HCADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H](C)O1 ZINC000556170490 1078477902 /nfs/dbraw/zinc/47/79/02/1078477902.db2.gz LKTCQOJKPDDOFM-AQNXPRMDSA-N 1 0 423.602 0.230 20 0 HCADRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000556170491 1078478197 /nfs/dbraw/zinc/47/81/97/1078478197.db2.gz LKTCQOJKPDDOFM-HSALFYBXSA-N 1 0 423.602 0.230 20 0 HCADRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H](C)O1 ZINC000556170492 1078478081 /nfs/dbraw/zinc/47/80/81/1078478081.db2.gz LKTCQOJKPDDOFM-VAMGGRTRSA-N 1 0 423.602 0.230 20 0 HCADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000556170493 1078478673 /nfs/dbraw/zinc/47/86/73/1078478673.db2.gz LKTCQOJKPDDOFM-ZCNNSNEGSA-N 1 0 423.602 0.230 20 0 HCADRO Cn1cc(CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)c(-c2ccccc2)n1 ZINC000556170502 1078478159 /nfs/dbraw/zinc/47/81/59/1078478159.db2.gz LQRXDACFCDJVPU-UHFFFAOYSA-N 1 0 412.538 0.847 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000556170594 1078477814 /nfs/dbraw/zinc/47/78/14/1078477814.db2.gz IGRXRXAGYMQMJK-IBGZPJMESA-N 1 0 411.543 0.792 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000556170595 1078478105 /nfs/dbraw/zinc/47/81/05/1078478105.db2.gz IGRXRXAGYMQMJK-LJQANCHMSA-N 1 0 411.543 0.792 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000556170596 1078478186 /nfs/dbraw/zinc/47/81/86/1078478186.db2.gz IJAVFSMEZRNHLX-GOSISDBHSA-N 1 0 402.495 0.527 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000556170597 1078477933 /nfs/dbraw/zinc/47/79/33/1078477933.db2.gz IJAVFSMEZRNHLX-SFHVURJKSA-N 1 0 402.495 0.527 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000556170617 1078477831 /nfs/dbraw/zinc/47/78/31/1078477831.db2.gz JFLRPCSPJDCJEE-UHFFFAOYSA-N 1 0 417.558 0.049 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556170780 1078477455 /nfs/dbraw/zinc/47/74/55/1078477455.db2.gz MPBCKVGFVNIDNX-KDURUIRLSA-N 1 0 423.602 0.530 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000556170782 1078478070 /nfs/dbraw/zinc/47/80/70/1078478070.db2.gz MPBCKVGFVNIDNX-OALUTQOASA-N 1 0 423.602 0.530 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000556170783 1078477845 /nfs/dbraw/zinc/47/78/45/1078477845.db2.gz MPBCKVGFVNIDNX-RTBURBONSA-N 1 0 423.602 0.530 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000556170833 1078477338 /nfs/dbraw/zinc/47/73/38/1078477338.db2.gz OHGLYWBWZLIXPH-IBGZPJMESA-N 1 0 404.511 0.436 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000556170834 1078477374 /nfs/dbraw/zinc/47/73/74/1078477374.db2.gz OHGLYWBWZLIXPH-LJQANCHMSA-N 1 0 404.511 0.436 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000556170990 1078477508 /nfs/dbraw/zinc/47/75/08/1078477508.db2.gz NTLPIOQPJASPSO-UHFFFAOYSA-N 1 0 405.518 0.618 20 0 HCADRO CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000556171071 1078477418 /nfs/dbraw/zinc/47/74/18/1078477418.db2.gz POWNUVYLUNMEAF-KRWDZBQOSA-N 1 0 410.559 0.616 20 0 HCADRO CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000556171072 1078477308 /nfs/dbraw/zinc/47/73/08/1078477308.db2.gz POWNUVYLUNMEAF-QGZVFWFLSA-N 1 0 410.559 0.616 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000556171134 1078478744 /nfs/dbraw/zinc/47/87/44/1078478744.db2.gz RTWHMTLJAOLSSL-CVEARBPZSA-N 1 0 406.531 0.484 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000556171135 1078478826 /nfs/dbraw/zinc/47/88/26/1078478826.db2.gz RTWHMTLJAOLSSL-HOTGVXAUSA-N 1 0 406.531 0.484 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000556171136 1078478764 /nfs/dbraw/zinc/47/87/64/1078478764.db2.gz RTWHMTLJAOLSSL-HZPDHXFCSA-N 1 0 406.531 0.484 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000556171137 1078478719 /nfs/dbraw/zinc/47/87/19/1078478719.db2.gz RTWHMTLJAOLSSL-JKSUJKDBSA-N 1 0 406.531 0.484 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000556171262 1078480140 /nfs/dbraw/zinc/48/01/40/1078480140.db2.gz PKOYZEDJVCUUGY-UHFFFAOYSA-N 1 0 416.522 0.654 20 0 HCADRO CC[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CCN1CC(F)F ZINC000556171269 1078479919 /nfs/dbraw/zinc/47/99/19/1078479919.db2.gz PKQZKYWTYOINKS-INIZCTEOSA-N 1 0 403.518 0.318 20 0 HCADRO CC[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CCN1CC(F)F ZINC000556171270 1078479893 /nfs/dbraw/zinc/47/98/93/1078479893.db2.gz PKQZKYWTYOINKS-MRXNPFEDSA-N 1 0 403.518 0.318 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000556171358 1078479967 /nfs/dbraw/zinc/47/99/67/1078479967.db2.gz SZMKOIWLWYSMKI-UHFFFAOYSA-N 1 0 402.495 0.200 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC000556171439 1078479406 /nfs/dbraw/zinc/47/94/06/1078479406.db2.gz ARYGODOZWSMGRE-FQEVSTJZSA-N 1 0 401.555 0.646 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC000556171440 1078480055 /nfs/dbraw/zinc/48/00/55/1078480055.db2.gz ARYGODOZWSMGRE-HXUWFJFHSA-N 1 0 401.555 0.646 20 0 HCADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000556171836 1078479354 /nfs/dbraw/zinc/47/93/54/1078479354.db2.gz VZHXOYPHNPJABE-UHFFFAOYSA-N 1 0 415.332 0.975 20 0 HCADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000556171854 1078479522 /nfs/dbraw/zinc/47/95/22/1078479522.db2.gz XNXVSGLECWYWDT-MSOLQXFVSA-N 1 0 410.559 0.758 20 0 HCADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000556171855 1078479264 /nfs/dbraw/zinc/47/92/64/1078479264.db2.gz XNXVSGLECWYWDT-QZTJIDSGSA-N 1 0 410.559 0.758 20 0 HCADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000556171856 1078479387 /nfs/dbraw/zinc/47/93/87/1078479387.db2.gz XNXVSGLECWYWDT-ROUUACIJSA-N 1 0 410.559 0.758 20 0 HCADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000556171857 1078479569 /nfs/dbraw/zinc/47/95/69/1078479569.db2.gz XNXVSGLECWYWDT-ZWKOTPCHSA-N 1 0 410.559 0.758 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000556171924 1078479490 /nfs/dbraw/zinc/47/94/90/1078479490.db2.gz XVWBUSIXQWITME-KRWDZBQOSA-N 1 0 422.913 0.790 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000556171925 1078479282 /nfs/dbraw/zinc/47/92/82/1078479282.db2.gz XVWBUSIXQWITME-QGZVFWFLSA-N 1 0 422.913 0.790 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000556171973 1078478897 /nfs/dbraw/zinc/47/88/97/1078478897.db2.gz WKFQCOKUNAOOFR-BTYIYWSLSA-N 1 0 421.542 0.594 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000556171975 1078478738 /nfs/dbraw/zinc/47/87/38/1078478738.db2.gz WKFQCOKUNAOOFR-QVKFZJNVSA-N 1 0 421.542 0.594 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000556171977 1078478778 /nfs/dbraw/zinc/47/87/78/1078478778.db2.gz WKFQCOKUNAOOFR-VFNWGFHPSA-N 1 0 421.542 0.594 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000556171979 1078478886 /nfs/dbraw/zinc/47/88/86/1078478886.db2.gz WKFQCOKUNAOOFR-YCRPNKLZSA-N 1 0 421.542 0.594 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N(CCO)C3CCC3)CC2)c1 ZINC000556172035 1078478837 /nfs/dbraw/zinc/47/88/37/1078478837.db2.gz HEIMCIATJHLNTB-UHFFFAOYSA-N 1 0 402.539 0.997 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000556172040 1078478655 /nfs/dbraw/zinc/47/86/55/1078478655.db2.gz XCRLLZAXSWDCHU-KRWDZBQOSA-N 1 0 407.559 0.180 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000556172041 1078478797 /nfs/dbraw/zinc/47/87/97/1078478797.db2.gz XCRLLZAXSWDCHU-QGZVFWFLSA-N 1 0 407.559 0.180 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000556172334 1078480864 /nfs/dbraw/zinc/48/08/64/1078480864.db2.gz WIMNLMVRFQCUGH-DOTOQJQBSA-N 1 0 404.515 0.412 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000556172335 1078480788 /nfs/dbraw/zinc/48/07/88/1078480788.db2.gz WIMNLMVRFQCUGH-NVXWUHKLSA-N 1 0 404.515 0.412 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000556172336 1078480845 /nfs/dbraw/zinc/48/08/45/1078480845.db2.gz WIMNLMVRFQCUGH-RDJZCZTQSA-N 1 0 404.515 0.412 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000556172337 1078480902 /nfs/dbraw/zinc/48/09/02/1078480902.db2.gz WIMNLMVRFQCUGH-WBVHZDCISA-N 1 0 404.515 0.412 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000556172751 1078480937 /nfs/dbraw/zinc/48/09/37/1078480937.db2.gz WLEOYRFNPISIKP-UHFFFAOYSA-N 1 0 421.489 0.964 20 0 HCADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000556172864 1078479958 /nfs/dbraw/zinc/47/99/58/1078479958.db2.gz BHKODUNGBDOSCA-MSOLQXFVSA-N 1 0 421.586 0.569 20 0 HCADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000556172865 1078480882 /nfs/dbraw/zinc/48/08/82/1078480882.db2.gz BHKODUNGBDOSCA-QZTJIDSGSA-N 1 0 421.586 0.569 20 0 HCADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000556172866 1078480911 /nfs/dbraw/zinc/48/09/11/1078480911.db2.gz BHKODUNGBDOSCA-ROUUACIJSA-N 1 0 421.586 0.569 20 0 HCADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000556172867 1078480857 /nfs/dbraw/zinc/48/08/57/1078480857.db2.gz BHKODUNGBDOSCA-ZWKOTPCHSA-N 1 0 421.586 0.569 20 0 HCADRO C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000556173034 1078480216 /nfs/dbraw/zinc/48/02/16/1078480216.db2.gz INCYGYFUFCADPL-KRWDZBQOSA-N 1 0 422.599 0.492 20 0 HCADRO C[C@H](c1nccs1)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000556173035 1078480103 /nfs/dbraw/zinc/48/01/03/1078480103.db2.gz INCYGYFUFCADPL-QGZVFWFLSA-N 1 0 422.599 0.492 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CC[C@@](C)(C(N)=O)C3)CC2)c1 ZINC000556173714 1078481604 /nfs/dbraw/zinc/48/16/04/1078481604.db2.gz YAKXLXXRJDTAHQ-JOCHJYFZSA-N 1 0 415.538 0.347 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CC[C@](C)(C(N)=O)C3)CC2)c1 ZINC000556173715 1078481796 /nfs/dbraw/zinc/48/17/96/1078481796.db2.gz YAKXLXXRJDTAHQ-QFIPXVFZSA-N 1 0 415.538 0.347 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N(C)CC3(CO)CC3)CC2)c1 ZINC000556173731 1078481340 /nfs/dbraw/zinc/48/13/40/1078481340.db2.gz YRDFTYJMVIKJTN-UHFFFAOYSA-N 1 0 402.539 0.854 20 0 HCADRO COc1c(C)cnc(CN(C)C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)c1C ZINC000556173760 1078481374 /nfs/dbraw/zinc/48/13/74/1078481374.db2.gz ZHGBSKXZODFLRJ-UHFFFAOYSA-N 1 0 405.543 0.809 20 0 HCADRO C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000556173814 1078481755 /nfs/dbraw/zinc/48/17/55/1078481755.db2.gz BBFYYQVAQNXESY-GOSISDBHSA-N 1 0 401.555 0.698 20 0 HCADRO C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000556173815 1078481283 /nfs/dbraw/zinc/48/12/83/1078481283.db2.gz BBFYYQVAQNXESY-SFHVURJKSA-N 1 0 401.555 0.698 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCn4cnnc4C3)CC2)c1 ZINC000556173850 1078482519 /nfs/dbraw/zinc/48/25/19/1078482519.db2.gz BLDYXSZNWZKXEZ-UHFFFAOYSA-N 1 0 411.510 0.257 20 0 HCADRO COCCOc1ccc(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000556173875 1078481635 /nfs/dbraw/zinc/48/16/35/1078481635.db2.gz CCQLZAMEVJDYLD-UHFFFAOYSA-N 1 0 406.527 0.470 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000556173977 1078481700 /nfs/dbraw/zinc/48/17/00/1078481700.db2.gz FHAXZAKQCZWUSB-UHFFFAOYSA-N 1 0 416.501 0.771 20 0 HCADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000556174028 1078481874 /nfs/dbraw/zinc/48/18/74/1078481874.db2.gz GUHQTSQYOGJFPV-MOPGFXCFSA-N 1 0 423.602 0.674 20 0 HCADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000556174029 1078481469 /nfs/dbraw/zinc/48/14/69/1078481469.db2.gz GUHQTSQYOGJFPV-OALUTQOASA-N 1 0 423.602 0.674 20 0 HCADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000556174030 1078481564 /nfs/dbraw/zinc/48/15/64/1078481564.db2.gz GUHQTSQYOGJFPV-RBUKOAKNSA-N 1 0 423.602 0.674 20 0 HCADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000556174031 1078481824 /nfs/dbraw/zinc/48/18/24/1078481824.db2.gz GUHQTSQYOGJFPV-RTBURBONSA-N 1 0 423.602 0.674 20 0 HCADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000556174070 1078481680 /nfs/dbraw/zinc/48/16/80/1078481680.db2.gz HUBSRTCCKWLJPQ-INIZCTEOSA-N 1 0 402.561 0.109 20 0 HCADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000556174071 1078481433 /nfs/dbraw/zinc/48/14/33/1078481433.db2.gz HUBSRTCCKWLJPQ-MRXNPFEDSA-N 1 0 402.561 0.109 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000556174275 1078483286 /nfs/dbraw/zinc/48/32/86/1078483286.db2.gz JEDIXDHJGIQWCP-MSOLQXFVSA-N 1 0 409.575 0.426 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000556174276 1078483250 /nfs/dbraw/zinc/48/32/50/1078483250.db2.gz JEDIXDHJGIQWCP-QZTJIDSGSA-N 1 0 409.575 0.426 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000556174277 1078483314 /nfs/dbraw/zinc/48/33/14/1078483314.db2.gz JEDIXDHJGIQWCP-ROUUACIJSA-N 1 0 409.575 0.426 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000556174279 1078483371 /nfs/dbraw/zinc/48/33/71/1078483371.db2.gz JEDIXDHJGIQWCP-ZWKOTPCHSA-N 1 0 409.575 0.426 20 0 HCADRO COCCN1CCCN(C(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC000556174349 1078483236 /nfs/dbraw/zinc/48/32/36/1078483236.db2.gz KNWJTNUDIMUILT-HDICACEKSA-N 1 0 410.559 0.568 20 0 HCADRO COCCN1CCCN(C(=O)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1=O ZINC000556174351 1078483323 /nfs/dbraw/zinc/48/33/23/1078483323.db2.gz KNWJTNUDIMUILT-QZTJIDSGSA-N 1 0 410.559 0.568 20 0 HCADRO COCCN1CCCN(C(=O)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1=O ZINC000556174352 1078483354 /nfs/dbraw/zinc/48/33/54/1078483354.db2.gz KNWJTNUDIMUILT-ROUUACIJSA-N 1 0 410.559 0.568 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC000556174506 1078483336 /nfs/dbraw/zinc/48/33/36/1078483336.db2.gz MOWCIOZFLVYWNX-HDICACEKSA-N 1 0 423.602 0.530 20 0 HCADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC000556174508 1078483348 /nfs/dbraw/zinc/48/33/48/1078483348.db2.gz MOWCIOZFLVYWNX-QZTJIDSGSA-N 1 0 423.602 0.530 20 0 HCADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC000556174510 1078483272 /nfs/dbraw/zinc/48/32/72/1078483272.db2.gz MOWCIOZFLVYWNX-ROUUACIJSA-N 1 0 423.602 0.530 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3cnccc3C)CC2)CC1 ZINC000556174722 1078482194 /nfs/dbraw/zinc/48/21/94/1078482194.db2.gz JNRBEKDDGJKRFX-UHFFFAOYSA-N 1 0 416.570 0.573 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000556174726 1078482375 /nfs/dbraw/zinc/48/23/75/1078482375.db2.gz PHLFIOAYPMUYPM-GOSISDBHSA-N 1 0 419.574 0.039 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000556174727 1078483357 /nfs/dbraw/zinc/48/33/57/1078483357.db2.gz PHLFIOAYPMUYPM-SFHVURJKSA-N 1 0 419.574 0.039 20 0 HCADRO COCCC(=O)N1CCC(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000556174848 1078482091 /nfs/dbraw/zinc/48/20/91/1078482091.db2.gz HRNNMEZOCSDERT-KRWDZBQOSA-N 1 0 410.559 0.758 20 0 HCADRO COCCC(=O)N1CCC(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000556174849 1078482251 /nfs/dbraw/zinc/48/22/51/1078482251.db2.gz HRNNMEZOCSDERT-QGZVFWFLSA-N 1 0 410.559 0.758 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C)c3ccccc3C2)CC1 ZINC000556174850 1078482281 /nfs/dbraw/zinc/48/22/81/1078482281.db2.gz HRQTUHMLJFVVFC-UHFFFAOYSA-N 1 0 401.555 0.999 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000556174896 1078482400 /nfs/dbraw/zinc/48/24/00/1078482400.db2.gz QVFSPNMBFZNVJT-IBGZPJMESA-N 1 0 406.502 0.869 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000556174897 1078482113 /nfs/dbraw/zinc/48/21/13/1078482113.db2.gz QVFSPNMBFZNVJT-LJQANCHMSA-N 1 0 406.502 0.869 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCSC3(CCOCC3)C2)CC1 ZINC000556174916 1078482329 /nfs/dbraw/zinc/48/23/29/1078482329.db2.gz RJPVROZDYGUSCI-UHFFFAOYSA-N 1 0 412.600 0.645 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000556175143 1078484664 /nfs/dbraw/zinc/48/46/64/1078484664.db2.gz KNMOQRYNSGZZMY-CVEARBPZSA-N 1 0 402.561 0.155 20 0 HCADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000556175144 1078484736 /nfs/dbraw/zinc/48/47/36/1078484736.db2.gz KNMOQRYNSGZZMY-HOTGVXAUSA-N 1 0 402.561 0.155 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000556175145 1078484414 /nfs/dbraw/zinc/48/44/14/1078484414.db2.gz KNMOQRYNSGZZMY-HZPDHXFCSA-N 1 0 402.561 0.155 20 0 HCADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000556175146 1078484518 /nfs/dbraw/zinc/48/45/18/1078484518.db2.gz KNMOQRYNSGZZMY-JKSUJKDBSA-N 1 0 402.561 0.155 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCCN(CC(F)(F)F)CC2)CC1 ZINC000556175505 1078484050 /nfs/dbraw/zinc/48/40/50/1078484050.db2.gz XFNPADMOBUIFHB-UHFFFAOYSA-N 1 0 421.508 0.617 20 0 HCADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000556175570 1078483969 /nfs/dbraw/zinc/48/39/69/1078483969.db2.gz ZBRKZMIVUFRDPO-MSOLQXFVSA-N 1 0 408.543 0.465 20 0 HCADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000556175571 1078484184 /nfs/dbraw/zinc/48/41/84/1078484184.db2.gz ZBRKZMIVUFRDPO-QZTJIDSGSA-N 1 0 408.543 0.465 20 0 HCADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000556175572 1078484455 /nfs/dbraw/zinc/48/44/55/1078484455.db2.gz ZBRKZMIVUFRDPO-ROUUACIJSA-N 1 0 408.543 0.465 20 0 HCADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000556175573 1078484692 /nfs/dbraw/zinc/48/46/92/1078484692.db2.gz ZBRKZMIVUFRDPO-ZWKOTPCHSA-N 1 0 408.543 0.465 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000556175739 1078484085 /nfs/dbraw/zinc/48/40/85/1078484085.db2.gz WHPGMKGKVILWRD-INIZCTEOSA-N 1 0 406.575 0.618 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000556175742 1078483769 /nfs/dbraw/zinc/48/37/69/1078483769.db2.gz WHPGMKGKVILWRD-MRXNPFEDSA-N 1 0 406.575 0.618 20 0 HCADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000556176016 1078483194 /nfs/dbraw/zinc/48/31/94/1078483194.db2.gz RSOJDYSQOORSEK-MSOLQXFVSA-N 1 0 410.559 0.711 20 0 HCADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000556176017 1078484150 /nfs/dbraw/zinc/48/41/50/1078484150.db2.gz RSOJDYSQOORSEK-QZTJIDSGSA-N 1 0 410.559 0.711 20 0 HCADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000556176018 1078483813 /nfs/dbraw/zinc/48/38/13/1078483813.db2.gz RSOJDYSQOORSEK-ROUUACIJSA-N 1 0 410.559 0.711 20 0 HCADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000556176019 1078484109 /nfs/dbraw/zinc/48/41/09/1078484109.db2.gz RSOJDYSQOORSEK-ZWKOTPCHSA-N 1 0 410.559 0.711 20 0 HCADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000556176021 1078484099 /nfs/dbraw/zinc/48/40/99/1078484099.db2.gz RUXKVPIFGQLBDH-KRWDZBQOSA-N 1 0 420.558 0.516 20 0 HCADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000556176022 1078484208 /nfs/dbraw/zinc/48/42/08/1078484208.db2.gz RUXKVPIFGQLBDH-QGZVFWFLSA-N 1 0 420.558 0.516 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC000556176118 1078483260 /nfs/dbraw/zinc/48/32/60/1078483260.db2.gz SEWVZDDFQDJVMF-GOSISDBHSA-N 1 0 409.575 0.236 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC000556176119 1078483364 /nfs/dbraw/zinc/48/33/64/1078483364.db2.gz SEWVZDDFQDJVMF-SFHVURJKSA-N 1 0 409.575 0.236 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000556176157 1078484591 /nfs/dbraw/zinc/48/45/91/1078484591.db2.gz SXXVZGYJEJRYQN-MOPGFXCFSA-N 1 0 404.559 0.827 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000556176160 1078484503 /nfs/dbraw/zinc/48/45/03/1078484503.db2.gz SXXVZGYJEJRYQN-OALUTQOASA-N 1 0 404.559 0.827 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000556176161 1078484807 /nfs/dbraw/zinc/48/48/07/1078484807.db2.gz SXXVZGYJEJRYQN-RBUKOAKNSA-N 1 0 404.559 0.827 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000556176164 1078484479 /nfs/dbraw/zinc/48/44/79/1078484479.db2.gz SXXVZGYJEJRYQN-RTBURBONSA-N 1 0 404.559 0.827 20 0 HCADRO COCCOc1ccc(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000556176475 1078485324 /nfs/dbraw/zinc/48/53/24/1078485324.db2.gz YDSJYCAJJZWIKH-UHFFFAOYSA-N 1 0 419.522 0.899 20 0 HCADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000556176533 1078485301 /nfs/dbraw/zinc/48/53/01/1078485301.db2.gz ZKEKUZJGCXLBSI-GOSISDBHSA-N 1 0 415.538 0.994 20 0 HCADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000556176534 1078485209 /nfs/dbraw/zinc/48/52/09/1078485209.db2.gz ZKEKUZJGCXLBSI-SFHVURJKSA-N 1 0 415.538 0.994 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N(CCO)C3CC3)CC2)c1 ZINC000556181189 1078502046 /nfs/dbraw/zinc/50/20/46/1078502046.db2.gz CHJZMEDSRQLJSZ-UHFFFAOYSA-N 1 0 402.539 0.997 20 0 HCADRO COC[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000556181284 1078501896 /nfs/dbraw/zinc/50/18/96/1078501896.db2.gz IKHNYDHEDYHVFO-FQEVSTJZSA-N 1 0 418.538 0.497 20 0 HCADRO COC[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000556181285 1078501815 /nfs/dbraw/zinc/50/18/15/1078501815.db2.gz IKHNYDHEDYHVFO-HXUWFJFHSA-N 1 0 418.538 0.497 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N(C)CC3CC(O)C3)CC2)c1 ZINC000556181359 1078501647 /nfs/dbraw/zinc/50/16/47/1078501647.db2.gz MXAULPNVRPRGAS-UHFFFAOYSA-N 1 0 402.539 0.853 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N(CCO)CC(F)F)CC2)c1 ZINC000556181658 1078486484 /nfs/dbraw/zinc/48/64/84/1078486484.db2.gz GAANXKPWGSXNRV-UHFFFAOYSA-N 1 0 412.481 0.709 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000556182055 1078476781 /nfs/dbraw/zinc/47/67/81/1078476781.db2.gz HNDQPLWEIMHDCG-GOSISDBHSA-N 1 0 407.559 0.180 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000556182056 1078477477 /nfs/dbraw/zinc/47/74/77/1078477477.db2.gz HNDQPLWEIMHDCG-SFHVURJKSA-N 1 0 407.559 0.180 20 0 HCADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC1CCN(CC(=O)NC)CC1 ZINC000556185253 1078488670 /nfs/dbraw/zinc/48/86/70/1078488670.db2.gz FAMKEPWFWIXHEB-UHFFFAOYSA-N 1 0 417.554 0.423 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556186285 1078492670 /nfs/dbraw/zinc/49/26/70/1078492670.db2.gz ASSCPEVTTWLWNL-FGTMMUONSA-N 1 0 423.602 0.576 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556186286 1078492357 /nfs/dbraw/zinc/49/23/57/1078492357.db2.gz ASSCPEVTTWLWNL-KSZLIROESA-N 1 0 423.602 0.576 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000556186287 1078492841 /nfs/dbraw/zinc/49/28/41/1078492841.db2.gz ASSCPEVTTWLWNL-KZNAEPCWSA-N 1 0 423.602 0.576 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000556186288 1078492626 /nfs/dbraw/zinc/49/26/26/1078492626.db2.gz ASSCPEVTTWLWNL-OKZBNKHCSA-N 1 0 423.602 0.576 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N(C)C2CC[NH+](CCC)CC2)CC1 ZINC000556186482 1078491782 /nfs/dbraw/zinc/49/17/82/1078491782.db2.gz DOFMCLXYJLDNGE-UHFFFAOYSA-N 1 0 409.575 0.426 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000556186490 1078491317 /nfs/dbraw/zinc/49/13/17/1078491317.db2.gz FEVQGNWOMJPALV-KRWDZBQOSA-N 1 0 417.554 0.340 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000556186491 1078491852 /nfs/dbraw/zinc/49/18/52/1078491852.db2.gz FEVQGNWOMJPALV-QGZVFWFLSA-N 1 0 417.554 0.340 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000556186927 1078490422 /nfs/dbraw/zinc/49/04/22/1078490422.db2.gz QKHNVSYHJUHOAX-IBGZPJMESA-N 1 0 421.586 0.570 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000556186928 1078490806 /nfs/dbraw/zinc/49/08/06/1078490806.db2.gz QKHNVSYHJUHOAX-LJQANCHMSA-N 1 0 421.586 0.570 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000556187243 1078496815 /nfs/dbraw/zinc/49/68/15/1078496815.db2.gz VWRZXZRAAOCVMT-UHFFFAOYSA-N 1 0 417.554 0.470 20 0 HCADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC2CCN(CC(=O)NC)CC2)c1 ZINC000556187410 1078496526 /nfs/dbraw/zinc/49/65/26/1078496526.db2.gz YRCMPZHVJRBXBK-UHFFFAOYSA-N 1 0 403.527 0.081 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000556187459 1078495642 /nfs/dbraw/zinc/49/56/42/1078495642.db2.gz BDMDAMHNBKRAOP-UHFFFAOYSA-N 1 0 415.538 0.225 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000556187486 1078495717 /nfs/dbraw/zinc/49/57/17/1078495717.db2.gz CPBIMIAQMMMBTB-GOSISDBHSA-N 1 0 421.586 0.284 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000556187487 1078495888 /nfs/dbraw/zinc/49/58/88/1078495888.db2.gz CPBIMIAQMMMBTB-SFHVURJKSA-N 1 0 421.586 0.284 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000556187530 1078495577 /nfs/dbraw/zinc/49/55/77/1078495577.db2.gz FHGTUHMXFIQRHX-KRWDZBQOSA-N 1 0 409.575 0.474 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000556187531 1078495846 /nfs/dbraw/zinc/49/58/46/1078495846.db2.gz FHGTUHMXFIQRHX-QGZVFWFLSA-N 1 0 409.575 0.474 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC1CCN(CC(=O)NC)CC1)c1ccccc1 ZINC000556187566 1078495665 /nfs/dbraw/zinc/49/56/65/1078495665.db2.gz GOYHYYRPMHZODP-IBGZPJMESA-N 1 0 417.554 0.512 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1CCN(CC(=O)NC)CC1)c1ccccc1 ZINC000556187567 1078495824 /nfs/dbraw/zinc/49/58/24/1078495824.db2.gz GOYHYYRPMHZODP-LJQANCHMSA-N 1 0 417.554 0.512 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000556187641 1078494928 /nfs/dbraw/zinc/49/49/28/1078494928.db2.gz 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HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000556189178 1078498513 /nfs/dbraw/zinc/49/85/13/1078498513.db2.gz FDCGHAISBOPGQL-MOPGFXCFSA-N 1 0 421.586 0.567 20 0 HCADRO Cc1ccc(CNC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cn1 ZINC000556189555 1078500204 /nfs/dbraw/zinc/50/02/04/1078500204.db2.gz JWZKKZSHENDUFV-UHFFFAOYSA-N 1 0 417.554 0.949 20 0 HCADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC2CCN(CC(=O)NC)CC2)c1 ZINC000556189695 1078500450 /nfs/dbraw/zinc/50/04/50/1078500450.db2.gz IDUXJFFGHOXSHW-UHFFFAOYSA-N 1 0 417.554 0.471 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000556189776 1078499203 /nfs/dbraw/zinc/49/92/03/1078499203.db2.gz MSJDJNCVTCTOHG-INIZCTEOSA-N 1 0 409.575 0.282 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000556189777 1078499466 /nfs/dbraw/zinc/49/94/66/1078499466.db2.gz MSJDJNCVTCTOHG-MRXNPFEDSA-N 1 0 409.575 0.282 20 0 HCADRO 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/nfs/dbraw/zinc/50/98/51/1078509851.db2.gz HLSDDPRGIKVDBV-FUHWJXTLSA-N 1 0 417.529 0.805 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000556195729 1078510000 /nfs/dbraw/zinc/51/00/00/1078510000.db2.gz HLSDDPRGIKVDBV-SJLPKXTDSA-N 1 0 417.529 0.805 20 0 HCADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000556195730 1078510060 /nfs/dbraw/zinc/51/00/60/1078510060.db2.gz HLSDDPRGIKVDBV-WMZOPIPTSA-N 1 0 417.529 0.805 20 0 HCADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000556196473 1078513671 /nfs/dbraw/zinc/51/36/71/1078513671.db2.gz ZBXNBDOSPWUJLB-UHFFFAOYSA-N 1 0 401.555 0.725 20 0 HCADRO C[NH+](C)CC[C@H](NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C(C)(C)C ZINC000556196801 1078511604 /nfs/dbraw/zinc/51/16/04/1078511604.db2.gz DSHPFYBCEIJQTE-KRWDZBQOSA-N 1 0 419.574 0.197 20 0 HCADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C(C)(C)C ZINC000556196802 1078511714 /nfs/dbraw/zinc/51/17/14/1078511714.db2.gz 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CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)CC1 ZINC000556197373 1078515890 /nfs/dbraw/zinc/51/58/90/1078515890.db2.gz NCWLNHJJRZCUGV-UHFFFAOYSA-N 1 0 401.555 0.868 20 0 HCADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000556197768 1078515244 /nfs/dbraw/zinc/51/52/44/1078515244.db2.gz MPHWOVWROZMXJN-UHFFFAOYSA-N 1 0 417.558 0.049 20 0 HCADRO C[N@H+](CCN1CCN(C(=O)C(=O)NCC2CCOCC2)CC1)Cc1ccccc1 ZINC000556197848 1078514278 /nfs/dbraw/zinc/51/42/78/1078514278.db2.gz FPDSAJKBTURXCL-UHFFFAOYSA-N 1 0 402.539 0.805 20 0 HCADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000556198293 1078503204 /nfs/dbraw/zinc/50/32/04/1078503204.db2.gz WXLSKGBJXRDKOF-UHFFFAOYSA-N 1 0 405.518 0.618 20 0 HCADRO CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1)C1CC1 ZINC000556198536 1078502812 /nfs/dbraw/zinc/50/28/12/1078502812.db2.gz UUMKXWIHPAOFED-GOSISDBHSA-N 1 0 401.555 0.914 20 0 HCADRO CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1)C1CC1 ZINC000556198537 1078502480 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IUIZBQIMXVFUIK-AZUAARDMSA-N 1 0 401.555 0.866 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)N1CCN(c2ccccc2)CC1 ZINC000556199366 1078524558 /nfs/dbraw/zinc/52/45/58/1078524558.db2.gz IUIZBQIMXVFUIK-ICSRJNTNSA-N 1 0 401.555 0.866 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)N1CCN(c2ccccc2)CC1 ZINC000556199367 1078524848 /nfs/dbraw/zinc/52/48/48/1078524848.db2.gz IUIZBQIMXVFUIK-QUCCMNQESA-N 1 0 401.555 0.866 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CCN(c2ccccc2)CC1 ZINC000556199368 1078524521 /nfs/dbraw/zinc/52/45/21/1078524521.db2.gz IUIZBQIMXVFUIK-UYAOXDASSA-N 1 0 401.555 0.866 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCN(c2ccccc2)CC1 ZINC000556199459 1078523344 /nfs/dbraw/zinc/52/33/44/1078523344.db2.gz LQOYBBUCBUTZAK-CEXWTWQISA-N 1 0 401.555 0.912 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCN(c2ccccc2)CC1 ZINC000556199460 1078523030 /nfs/dbraw/zinc/52/30/30/1078523030.db2.gz LQOYBBUCBUTZAK-GUDVDZBRSA-N 1 0 401.555 0.912 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCN(c2ccccc2)CC1 ZINC000556199461 1078523912 /nfs/dbraw/zinc/52/39/12/1078523912.db2.gz LQOYBBUCBUTZAK-QRVBRYPASA-N 1 0 401.555 0.912 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCN(c2ccccc2)CC1 ZINC000556199462 1078523742 /nfs/dbraw/zinc/52/37/42/1078523742.db2.gz LQOYBBUCBUTZAK-QYZOEREBSA-N 1 0 401.555 0.912 20 0 HCADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556199718 1078521672 /nfs/dbraw/zinc/52/16/72/1078521672.db2.gz TZBGQDREORYMFG-KRWDZBQOSA-N 1 0 417.529 0.664 20 0 HCADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556199719 1078521829 /nfs/dbraw/zinc/52/18/29/1078521829.db2.gz TZBGQDREORYMFG-QGZVFWFLSA-N 1 0 417.529 0.664 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)N2CCOCC2)o1 ZINC000556201943 1078525165 /nfs/dbraw/zinc/52/51/65/1078525165.db2.gz HEPTYXUUKRVVHD-JXFKEZNVSA-N 1 0 424.567 0.631 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)N2CCOCC2)o1 ZINC000556201950 1078525245 /nfs/dbraw/zinc/52/52/45/1078525245.db2.gz HEPTYXUUKRVVHD-OXJNMPFZSA-N 1 0 424.567 0.631 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)N2CCOCC2)o1 ZINC000556201951 1078525420 /nfs/dbraw/zinc/52/54/20/1078525420.db2.gz HEPTYXUUKRVVHD-OXQOHEQNSA-N 1 0 424.567 0.631 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)N2CCOCC2)o1 ZINC000556201952 1078525326 /nfs/dbraw/zinc/52/53/26/1078525326.db2.gz HEPTYXUUKRVVHD-UZLBHIALSA-N 1 0 424.567 0.631 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCc2csc(N3CCCC3)n2)CCSC1 ZINC000556202509 1078526660 /nfs/dbraw/zinc/52/66/60/1078526660.db2.gz SJSXOIGVFAVQPT-GOSISDBHSA-N 1 0 411.597 0.956 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCCc2csc(N3CCCC3)n2)CCSC1 ZINC000556202510 1078526557 /nfs/dbraw/zinc/52/65/57/1078526557.db2.gz SJSXOIGVFAVQPT-SFHVURJKSA-N 1 0 411.597 0.956 20 0 HCADRO CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556202882 1078526607 /nfs/dbraw/zinc/52/66/07/1078526607.db2.gz XLUXNNKAKXDYIN-FXAWDEMLSA-N 1 0 409.552 0.576 20 0 HCADRO CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556202889 1078526401 /nfs/dbraw/zinc/52/64/01/1078526401.db2.gz XLUXNNKAKXDYIN-PXNSSMCTSA-N 1 0 409.552 0.576 20 0 HCADRO CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556202890 1078526458 /nfs/dbraw/zinc/52/64/58/1078526458.db2.gz XLUXNNKAKXDYIN-XLIONFOSSA-N 1 0 409.552 0.576 20 0 HCADRO CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556202891 1078526516 /nfs/dbraw/zinc/52/65/16/1078526516.db2.gz XLUXNNKAKXDYIN-YLJYHZDGSA-N 1 0 409.552 0.576 20 0 HCADRO COCCC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2N2CCOCC2)CC1 ZINC000556203936 1078528011 /nfs/dbraw/zinc/52/80/11/1078528011.db2.gz FGTXOQFPAYFONT-UHFFFAOYSA-N 1 0 418.538 0.757 20 0 HCADRO COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000556203981 1078527939 /nfs/dbraw/zinc/52/79/39/1078527939.db2.gz GTKHZZNAJGXLDT-IBGZPJMESA-N 1 0 408.524 0.441 20 0 HCADRO COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000556203982 1078527820 /nfs/dbraw/zinc/52/78/20/1078527820.db2.gz GTKHZZNAJGXLDT-LJQANCHMSA-N 1 0 408.524 0.441 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CCSC1 ZINC000556204564 1078517315 /nfs/dbraw/zinc/51/73/15/1078517315.db2.gz CRERTFJYXJODKZ-FXAWDEMLSA-N 1 0 407.536 0.846 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CCSC1 ZINC000556204565 1078517690 /nfs/dbraw/zinc/51/76/90/1078517690.db2.gz CRERTFJYXJODKZ-PXNSSMCTSA-N 1 0 407.536 0.846 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CCSC1 ZINC000556204566 1078517549 /nfs/dbraw/zinc/51/75/49/1078517549.db2.gz CRERTFJYXJODKZ-XLIONFOSSA-N 1 0 407.536 0.846 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CCSC1 ZINC000556204567 1078517268 /nfs/dbraw/zinc/51/72/68/1078517268.db2.gz CRERTFJYXJODKZ-YLJYHZDGSA-N 1 0 407.536 0.846 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)CCSC1 ZINC000556204611 1078517736 /nfs/dbraw/zinc/51/77/36/1078517736.db2.gz DVXVORAOFYVAIK-FQEVSTJZSA-N 1 0 404.536 0.525 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)CCSC1 ZINC000556204615 1078517452 /nfs/dbraw/zinc/51/74/52/1078517452.db2.gz DVXVORAOFYVAIK-HXUWFJFHSA-N 1 0 404.536 0.525 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CCSC1 ZINC000556204636 1078517346 /nfs/dbraw/zinc/51/73/46/1078517346.db2.gz AJFWIKMXRRMYRQ-IBGZPJMESA-N 1 0 406.556 0.489 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CCSC1 ZINC000556204637 1078517654 /nfs/dbraw/zinc/51/76/54/1078517654.db2.gz AJFWIKMXRRMYRQ-LJQANCHMSA-N 1 0 406.556 0.489 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CCSC1 ZINC000556204944 1078517382 /nfs/dbraw/zinc/51/73/82/1078517382.db2.gz DPZXDLKYYLQVMB-FQEVSTJZSA-N 1 0 422.526 0.664 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CCSC1 ZINC000556204948 1078517719 /nfs/dbraw/zinc/51/77/19/1078517719.db2.gz DPZXDLKYYLQVMB-HXUWFJFHSA-N 1 0 422.526 0.664 20 0 HCADRO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)n1 ZINC000556205515 1078519610 /nfs/dbraw/zinc/51/96/10/1078519610.db2.gz IUBUNCNSYRKPOJ-IBGZPJMESA-N 1 0 406.556 0.296 20 0 HCADRO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)n1 ZINC000556205532 1078519448 /nfs/dbraw/zinc/51/94/48/1078519448.db2.gz IUBUNCNSYRKPOJ-LJQANCHMSA-N 1 0 406.556 0.296 20 0 HCADRO CCC(CC)[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)N1CCOCC1 ZINC000556206165 1078519393 /nfs/dbraw/zinc/51/93/93/1078519393.db2.gz LIJPTEBTNKCPGI-FXAWDEMLSA-N 1 0 414.616 0.793 20 0 HCADRO CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)N1CCOCC1 ZINC000556206169 1078519545 /nfs/dbraw/zinc/51/95/45/1078519545.db2.gz LIJPTEBTNKCPGI-PXNSSMCTSA-N 1 0 414.616 0.793 20 0 HCADRO CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)N1CCOCC1 ZINC000556206171 1078519352 /nfs/dbraw/zinc/51/93/52/1078519352.db2.gz LIJPTEBTNKCPGI-XLIONFOSSA-N 1 0 414.616 0.793 20 0 HCADRO CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)N1CCOCC1 ZINC000556206174 1078519633 /nfs/dbraw/zinc/51/96/33/1078519633.db2.gz LIJPTEBTNKCPGI-YLJYHZDGSA-N 1 0 414.616 0.793 20 0 HCADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)C2=O)cc1 ZINC000556206351 1078520299 /nfs/dbraw/zinc/52/02/99/1078520299.db2.gz LEIPXWSQOXDLMH-DYESRHJHSA-N 1 0 418.563 0.766 20 0 HCADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)C2=O)cc1 ZINC000556206354 1078520345 /nfs/dbraw/zinc/52/03/45/1078520345.db2.gz LEIPXWSQOXDLMH-LAUBAEHRSA-N 1 0 418.563 0.766 20 0 HCADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2=O)cc1 ZINC000556206355 1078520243 /nfs/dbraw/zinc/52/02/43/1078520243.db2.gz LEIPXWSQOXDLMH-UTKZUKDTSA-N 1 0 418.563 0.766 20 0 HCADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2=O)cc1 ZINC000556206356 1078520329 /nfs/dbraw/zinc/52/03/29/1078520329.db2.gz LEIPXWSQOXDLMH-UWJYYQICSA-N 1 0 418.563 0.766 20 0 HCADRO CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556206529 1078520165 /nfs/dbraw/zinc/52/01/65/1078520165.db2.gz LULDMFSQAVIVIR-KRWDZBQOSA-N 1 0 409.537 0.909 20 0 HCADRO CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556206530 1078520192 /nfs/dbraw/zinc/52/01/92/1078520192.db2.gz LULDMFSQAVIVIR-QGZVFWFLSA-N 1 0 409.537 0.909 20 0 HCADRO Cc1nc(CN2CCN(C(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)oc1C ZINC000556206681 1078520062 /nfs/dbraw/zinc/52/00/62/1078520062.db2.gz PWDNYLHTAKZERF-IBGZPJMESA-N 1 0 409.556 0.489 20 0 HCADRO Cc1nc(CN2CCN(C(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)oc1C ZINC000556206688 1078520280 /nfs/dbraw/zinc/52/02/80/1078520280.db2.gz PWDNYLHTAKZERF-LJQANCHMSA-N 1 0 409.556 0.489 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1ccc2c(c1)CCO2 ZINC000556206802 1078520363 /nfs/dbraw/zinc/52/03/63/1078520363.db2.gz NXJGQFJWVNFJQE-KRWDZBQOSA-N 1 0 402.495 0.297 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1ccc2c(c1)CCO2 ZINC000556206803 1078520113 /nfs/dbraw/zinc/52/01/13/1078520113.db2.gz NXJGQFJWVNFJQE-QGZVFWFLSA-N 1 0 402.495 0.297 20 0 HCADRO Cc1cc(CNC(=O)C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)no1 ZINC000556207009 1078519705 /nfs/dbraw/zinc/51/97/05/1078519705.db2.gz OPPLDOXCEHHQCW-UHFFFAOYSA-N 1 0 415.494 0.888 20 0 HCADRO Cc1occc1C(=O)NC1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000556207670 1078521944 /nfs/dbraw/zinc/52/19/44/1078521944.db2.gz RXMFUTHRKMYVNZ-FQEVSTJZSA-N 1 0 422.551 0.862 20 0 HCADRO Cc1occc1C(=O)NC1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000556207672 1078521534 /nfs/dbraw/zinc/52/15/34/1078521534.db2.gz RXMFUTHRKMYVNZ-HXUWFJFHSA-N 1 0 422.551 0.862 20 0 HCADRO CN(Cc1nccn1CC(F)(F)F)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556207949 1078521165 /nfs/dbraw/zinc/52/11/65/1078521165.db2.gz PDBIQEXPLANYTL-HNNXBMFYSA-N 1 0 407.462 0.957 20 0 HCADRO CN(Cc1nccn1CC(F)(F)F)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556207952 1078520716 /nfs/dbraw/zinc/52/07/16/1078520716.db2.gz PDBIQEXPLANYTL-OAHLLOKOSA-N 1 0 407.462 0.957 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccccc1N1CCOCC1 ZINC000556207994 1078521432 /nfs/dbraw/zinc/52/14/32/1078521432.db2.gz CCSHIJNZDDGUTK-UHFFFAOYSA-N 1 0 417.554 0.235 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000556208140 1078521001 /nfs/dbraw/zinc/52/10/01/1078521001.db2.gz QXPYZKGFNXBNIA-GFCCVEGCSA-N 1 0 404.298 0.753 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000556208143 1078520787 /nfs/dbraw/zinc/52/07/87/1078520787.db2.gz QXPYZKGFNXBNIA-LBPRGKRZSA-N 1 0 404.298 0.753 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CCSC1 ZINC000556208251 1078533377 /nfs/dbraw/zinc/53/33/77/1078533377.db2.gz SBLUKLPSYZDMRG-IBGZPJMESA-N 1 0 407.540 0.088 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CCSC1 ZINC000556208678 1078532663 /nfs/dbraw/zinc/53/26/63/1078532663.db2.gz UYNRFIUNTPBRPS-FQEVSTJZSA-N 1 0 412.600 0.691 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CCSC1 ZINC000556208679 1078532931 /nfs/dbraw/zinc/53/29/31/1078532931.db2.gz UYNRFIUNTPBRPS-HXUWFJFHSA-N 1 0 412.600 0.691 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(CCc3ccccc3)CC2)CCSC1 ZINC000556208693 1078532807 /nfs/dbraw/zinc/53/28/07/1078532807.db2.gz VFZSNRTXBFUOJS-NRFANRHFSA-N 1 0 404.580 0.927 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(CCc3ccccc3)CC2)CCSC1 ZINC000556208696 1078533403 /nfs/dbraw/zinc/53/34/03/1078533403.db2.gz VFZSNRTXBFUOJS-OAQYLSRUSA-N 1 0 404.580 0.927 20 0 HCADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)NCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000556208762 1078532591 /nfs/dbraw/zinc/53/25/91/1078532591.db2.gz WZNQGDLFJLTXNE-UHFFFAOYSA-N 1 0 400.523 0.913 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCc2ccnc(OC3CCOCC3)c2)CCSC1 ZINC000556208835 1078532630 /nfs/dbraw/zinc/53/26/30/1078532630.db2.gz YNDNDDJTMBXYFE-FQEVSTJZSA-N 1 0 422.551 0.809 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCc2ccnc(OC3CCOCC3)c2)CCSC1 ZINC000556208838 1078532765 /nfs/dbraw/zinc/53/27/65/1078532765.db2.gz YNDNDDJTMBXYFE-HXUWFJFHSA-N 1 0 422.551 0.809 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CCSC1 ZINC000556208927 1078532907 /nfs/dbraw/zinc/53/29/07/1078532907.db2.gz SBLUKLPSYZDMRG-LJQANCHMSA-N 1 0 407.540 0.088 20 0 HCADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000556209507 1078533994 /nfs/dbraw/zinc/53/39/94/1078533994.db2.gz WGKDYPWLWONHKW-FQEVSTJZSA-N 1 0 422.551 0.323 20 0 HCADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000556209508 1078533741 /nfs/dbraw/zinc/53/37/41/1078533741.db2.gz WGKDYPWLWONHKW-HXUWFJFHSA-N 1 0 422.551 0.323 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCO3)CC1 ZINC000556210333 1078534541 /nfs/dbraw/zinc/53/45/41/1078534541.db2.gz ZSSGQOVGVDQWOF-UHFFFAOYSA-N 1 0 402.495 0.250 20 0 HCADRO Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000556212154 1078534491 /nfs/dbraw/zinc/53/44/91/1078534491.db2.gz BIJRDJZXYMSFIY-HOTGVXAUSA-N 1 0 404.559 0.670 20 0 HCADRO Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000556212157 1078535032 /nfs/dbraw/zinc/53/50/32/1078535032.db2.gz BIJRDJZXYMSFIY-HZPDHXFCSA-N 1 0 404.559 0.670 20 0 HCADRO Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000556212158 1078535172 /nfs/dbraw/zinc/53/51/72/1078535172.db2.gz BIJRDJZXYMSFIY-IYBDPMFKSA-N 1 0 404.559 0.670 20 0 HCADRO Cc1nn(C)c(C)c1CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000556212773 1078535590 /nfs/dbraw/zinc/53/55/90/1078535590.db2.gz CTJJXLXXLUVJKE-UHFFFAOYSA-N 1 0 404.559 0.720 20 0 HCADRO CC1CC[NH+](Cc2ccccc2CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000556212780 1078535675 /nfs/dbraw/zinc/53/56/75/1078535675.db2.gz DACMSMUMMOOYOS-UHFFFAOYSA-N 1 0 420.535 0.794 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(c2)CCO3)CC1 ZINC000556214141 1078535738 /nfs/dbraw/zinc/53/57/38/1078535738.db2.gz MFKCTIRBRLYXBV-UHFFFAOYSA-N 1 0 402.495 0.297 20 0 HCADRO Cc1ccc(O[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000556217298 1078531849 /nfs/dbraw/zinc/53/18/49/1078531849.db2.gz ZRRHPDQHEXHVNY-HKUYNNGSSA-N 1 0 416.522 0.644 20 0 HCADRO Cc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000556217300 1078532191 /nfs/dbraw/zinc/53/21/91/1078532191.db2.gz ZRRHPDQHEXHVNY-IEBWSBKVSA-N 1 0 416.522 0.644 20 0 HCADRO Cc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000556217302 1078531783 /nfs/dbraw/zinc/53/17/83/1078531783.db2.gz ZRRHPDQHEXHVNY-MJGOQNOKSA-N 1 0 416.522 0.644 20 0 HCADRO Cc1ccc(O[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000556217304 1078531972 /nfs/dbraw/zinc/53/19/72/1078531972.db2.gz ZRRHPDQHEXHVNY-PKOBYXMFSA-N 1 0 416.522 0.644 20 0 HCADRO O=C(Nc1cn(Cc2ccccc2)nn1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000556219272 1078541527 /nfs/dbraw/zinc/54/15/27/1078541527.db2.gz DDUJBDDKOCHORQ-GOSISDBHSA-N 1 0 412.494 0.836 20 0 HCADRO CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)Nc2ccc3c(cc(C)c(=O)n3C)c2)[N@H+](C)C1 ZINC000556222491 1078537395 /nfs/dbraw/zinc/53/73/95/1078537395.db2.gz GVVQRDDGQIGTFN-IRXDYDNUSA-N 1 0 400.479 0.963 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)NCCCc2nc3ccccc3[nH]2)CC1 ZINC000556223272 1078537887 /nfs/dbraw/zinc/53/78/87/1078537887.db2.gz LFZQVUKXWXLTOQ-UHFFFAOYSA-N 1 0 400.527 0.756 20 0 HCADRO Cc1nc(Cn2nnc(NC(=O)C(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)c2C)no1 ZINC000556228345 1078540208 /nfs/dbraw/zinc/54/02/08/1078540208.db2.gz CFNKTDYKFJDZOG-BXUZGUMPSA-N 1 0 402.459 0.350 20 0 HCADRO Cc1nc(Cn2nnc(NC(=O)C(=O)N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)c2C)no1 ZINC000556228357 1078540258 /nfs/dbraw/zinc/54/02/58/1078540258.db2.gz CFNKTDYKFJDZOG-FZMZJTMJSA-N 1 0 402.459 0.350 20 0 HCADRO Cc1nc(Cn2nnc(NC(=O)C(=O)N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)c2C)no1 ZINC000556228362 1078540394 /nfs/dbraw/zinc/54/03/94/1078540394.db2.gz CFNKTDYKFJDZOG-RISCZKNCSA-N 1 0 402.459 0.350 20 0 HCADRO Cc1nc(Cn2nnc(NC(=O)C(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)c2C)no1 ZINC000556228366 1078540439 /nfs/dbraw/zinc/54/04/39/1078540439.db2.gz CFNKTDYKFJDZOG-SMDDNHRTSA-N 1 0 402.459 0.350 20 0 HCADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1nnn(Cc2noc(C)n2)c1C ZINC000556230060 1078540670 /nfs/dbraw/zinc/54/06/70/1078540670.db2.gz LJPIOTCIFWKSMC-UHFFFAOYSA-N 1 0 404.475 0.599 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000556236981 1078547035 /nfs/dbraw/zinc/54/70/35/1078547035.db2.gz QOHYGQZABQLULA-AZUAARDMSA-N 1 0 412.534 0.988 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000556236982 1078546964 /nfs/dbraw/zinc/54/69/64/1078546964.db2.gz QOHYGQZABQLULA-ICSRJNTNSA-N 1 0 412.534 0.988 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000556236983 1078547064 /nfs/dbraw/zinc/54/70/64/1078547064.db2.gz QOHYGQZABQLULA-QUCCMNQESA-N 1 0 412.534 0.988 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000556236984 1078547105 /nfs/dbraw/zinc/54/71/05/1078547105.db2.gz QOHYGQZABQLULA-UYAOXDASSA-N 1 0 412.534 0.988 20 0 HCADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000556238136 1078547670 /nfs/dbraw/zinc/54/76/70/1078547670.db2.gz ZODCONPMCIULKX-MOPGFXCFSA-N 1 0 411.506 0.791 20 0 HCADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000556238141 1078547643 /nfs/dbraw/zinc/54/76/43/1078547643.db2.gz ZODCONPMCIULKX-OALUTQOASA-N 1 0 411.506 0.791 20 0 HCADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000556238142 1078547550 /nfs/dbraw/zinc/54/75/50/1078547550.db2.gz ZODCONPMCIULKX-RBUKOAKNSA-N 1 0 411.506 0.791 20 0 HCADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000556238143 1078547722 /nfs/dbraw/zinc/54/77/22/1078547722.db2.gz ZODCONPMCIULKX-RTBURBONSA-N 1 0 411.506 0.791 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556239283 1078549356 /nfs/dbraw/zinc/54/93/56/1078549356.db2.gz HDMQZIFNFDZHSZ-AWEZNQCLSA-N 1 0 408.465 0.292 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556239309 1078549366 /nfs/dbraw/zinc/54/93/66/1078549366.db2.gz HDMQZIFNFDZHSZ-CQSZACIVSA-N 1 0 408.465 0.292 20 0 HCADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)CC2)CC1 ZINC000556240147 1078548786 /nfs/dbraw/zinc/54/87/86/1078548786.db2.gz UOSSCBQXKRJIHY-KRWDZBQOSA-N 1 0 402.543 0.400 20 0 HCADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CCc4n[nH]cc4C3)CC2)CC1 ZINC000556240155 1078548748 /nfs/dbraw/zinc/54/87/48/1078548748.db2.gz UOSSCBQXKRJIHY-QGZVFWFLSA-N 1 0 402.543 0.400 20 0 HCADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)nc1 ZINC000556240502 1078543588 /nfs/dbraw/zinc/54/35/88/1078543588.db2.gz JUJCPYXASIRUQZ-AWEZNQCLSA-N 1 0 415.494 0.164 20 0 HCADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)nc1 ZINC000556240529 1078546517 /nfs/dbraw/zinc/54/65/17/1078546517.db2.gz JUJCPYXASIRUQZ-CQSZACIVSA-N 1 0 415.494 0.164 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)CCCO1 ZINC000556242675 1078551858 /nfs/dbraw/zinc/55/18/58/1078551858.db2.gz RTYVTKPDKOZXML-KRWDZBQOSA-N 1 0 403.527 0.784 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)CCCO1 ZINC000556242679 1078551718 /nfs/dbraw/zinc/55/17/18/1078551718.db2.gz RTYVTKPDKOZXML-QGZVFWFLSA-N 1 0 403.527 0.784 20 0 HCADRO COCCC[NH+]1CCC(NC(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC1 ZINC000556242792 1078551990 /nfs/dbraw/zinc/55/19/90/1078551990.db2.gz URAKCYNMPAONTO-UHFFFAOYSA-N 1 0 403.527 0.784 20 0 HCADRO O=C(CCc1ccccc1)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000556242934 1078551400 /nfs/dbraw/zinc/55/14/00/1078551400.db2.gz WSYHZOVISOONFI-MOPGFXCFSA-N 1 0 412.534 0.937 20 0 HCADRO O=C(CCc1ccccc1)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000556242940 1078551277 /nfs/dbraw/zinc/55/12/77/1078551277.db2.gz WSYHZOVISOONFI-OALUTQOASA-N 1 0 412.534 0.937 20 0 HCADRO O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000556242943 1078551375 /nfs/dbraw/zinc/55/13/75/1078551375.db2.gz WSYHZOVISOONFI-RBUKOAKNSA-N 1 0 412.534 0.937 20 0 HCADRO O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000556242947 1078551848 /nfs/dbraw/zinc/55/18/48/1078551848.db2.gz WSYHZOVISOONFI-RTBURBONSA-N 1 0 412.534 0.937 20 0 HCADRO O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000556243097 1078558781 /nfs/dbraw/zinc/55/87/81/1078558781.db2.gz YOMUKJQMJLHXLY-HNNXBMFYSA-N 1 0 420.476 0.748 20 0 HCADRO O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000556243103 1078558768 /nfs/dbraw/zinc/55/87/68/1078558768.db2.gz YOMUKJQMJLHXLY-OAHLLOKOSA-N 1 0 420.476 0.748 20 0 HCADRO Cc1occc1C(=O)NC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000556243473 1078553137 /nfs/dbraw/zinc/55/31/37/1078553137.db2.gz YJWGQYGXVICIHO-HNNXBMFYSA-N 1 0 402.495 0.909 20 0 HCADRO Cc1occc1C(=O)NC1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000556243475 1078553193 /nfs/dbraw/zinc/55/31/93/1078553193.db2.gz YJWGQYGXVICIHO-OAHLLOKOSA-N 1 0 402.495 0.909 20 0 HCADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000556243534 1078552523 /nfs/dbraw/zinc/55/25/23/1078552523.db2.gz ZZPGZYVPKVKTEL-GDBMZVCRSA-N 1 0 402.499 0.115 20 0 HCADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000556243535 1078552929 /nfs/dbraw/zinc/55/29/29/1078552929.db2.gz ZZPGZYVPKVKTEL-GOEBONIOSA-N 1 0 402.499 0.115 20 0 HCADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000556243536 1078553072 /nfs/dbraw/zinc/55/30/72/1078553072.db2.gz ZZPGZYVPKVKTEL-HOCLYGCPSA-N 1 0 402.499 0.115 20 0 HCADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000556243537 1078553206 /nfs/dbraw/zinc/55/32/06/1078553206.db2.gz ZZPGZYVPKVKTEL-ZBFHGGJFSA-N 1 0 402.499 0.115 20 0 HCADRO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000556243863 1078552541 /nfs/dbraw/zinc/55/25/41/1078552541.db2.gz PRYZSPZOLQCQQL-AWEZNQCLSA-N 1 0 409.508 0.186 20 0 HCADRO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000556243864 1078552508 /nfs/dbraw/zinc/55/25/08/1078552508.db2.gz PRYZSPZOLQCQQL-CQSZACIVSA-N 1 0 409.508 0.186 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000556244088 1078551836 /nfs/dbraw/zinc/55/18/36/1078551836.db2.gz WSEGTAFVNFOWKQ-KBPBESRZSA-N 1 0 408.524 0.372 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000556244089 1078551964 /nfs/dbraw/zinc/55/19/64/1078551964.db2.gz WSEGTAFVNFOWKQ-KGLIPLIRSA-N 1 0 408.524 0.372 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000556244090 1078552002 /nfs/dbraw/zinc/55/20/02/1078552002.db2.gz WSEGTAFVNFOWKQ-UONOGXRCSA-N 1 0 408.524 0.372 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000556244091 1078551809 /nfs/dbraw/zinc/55/18/09/1078551809.db2.gz WSEGTAFVNFOWKQ-ZIAGYGMSSA-N 1 0 408.524 0.372 20 0 HCADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC1(C)C ZINC000556244575 1078553433 /nfs/dbraw/zinc/55/34/33/1078553433.db2.gz DNCFNYFCIMFFRK-UHFFFAOYSA-N 1 0 402.543 0.309 20 0 HCADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000556244727 1078553354 /nfs/dbraw/zinc/55/33/54/1078553354.db2.gz IKVWOYJBUMZYIR-HNNXBMFYSA-N 1 0 400.527 0.921 20 0 HCADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000556244728 1078553634 /nfs/dbraw/zinc/55/36/34/1078553634.db2.gz IKVWOYJBUMZYIR-OAHLLOKOSA-N 1 0 400.527 0.921 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)C[C@H](C)O1 ZINC000556244762 1078553386 /nfs/dbraw/zinc/55/33/86/1078553386.db2.gz ARZHXZABRFPYQX-CALCHBBNSA-N 1 0 403.527 0.782 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)C[C@@H](C)O1 ZINC000556244763 1078553598 /nfs/dbraw/zinc/55/35/98/1078553598.db2.gz ARZHXZABRFPYQX-IAGOWNOFSA-N 1 0 403.527 0.782 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)C[C@H](C)O1 ZINC000556244764 1078553534 /nfs/dbraw/zinc/55/35/34/1078553534.db2.gz ARZHXZABRFPYQX-IRXDYDNUSA-N 1 0 403.527 0.782 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)CC2 ZINC000556244906 1078553126 /nfs/dbraw/zinc/55/31/26/1078553126.db2.gz CNBWNTGDIOUMSJ-INIZCTEOSA-N 1 0 400.483 0.234 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)CC2 ZINC000556244907 1078553188 /nfs/dbraw/zinc/55/31/88/1078553188.db2.gz CNBWNTGDIOUMSJ-MRXNPFEDSA-N 1 0 400.483 0.234 20 0 HCADRO O=C(NCc1cnc(N2CCOCC2)c(F)c1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556245080 1078553177 /nfs/dbraw/zinc/55/31/77/1078553177.db2.gz FLSSPNVCLMOBMY-AWEZNQCLSA-N 1 0 405.474 0.274 20 0 HCADRO O=C(NCc1cnc(N2CCOCC2)c(F)c1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556245081 1078552970 /nfs/dbraw/zinc/55/29/70/1078552970.db2.gz FLSSPNVCLMOBMY-CQSZACIVSA-N 1 0 405.474 0.274 20 0 HCADRO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000556245779 1078554418 /nfs/dbraw/zinc/55/44/18/1078554418.db2.gz BWOJOYIXFMUEBG-UHFFFAOYSA-N 1 0 401.511 0.525 20 0 HCADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)cn1 ZINC000556245790 1078554451 /nfs/dbraw/zinc/55/44/51/1078554451.db2.gz CFHFMQBYUGDPEG-MJGOQNOKSA-N 1 0 412.494 0.234 20 0 HCADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1=O ZINC000556246247 1078555128 /nfs/dbraw/zinc/55/51/28/1078555128.db2.gz OIWPRZMJILQOOC-KRWDZBQOSA-N 1 0 416.526 0.018 20 0 HCADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1=O ZINC000556246248 1078554954 /nfs/dbraw/zinc/55/49/54/1078554954.db2.gz OIWPRZMJILQOOC-QGZVFWFLSA-N 1 0 416.526 0.018 20 0 HCADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000556246413 1078555332 /nfs/dbraw/zinc/55/53/32/1078555332.db2.gz FZBFCPCXWFMQBM-INIZCTEOSA-N 1 0 407.559 0.036 20 0 HCADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000556246417 1078555404 /nfs/dbraw/zinc/55/54/04/1078555404.db2.gz FZBFCPCXWFMQBM-MRXNPFEDSA-N 1 0 407.559 0.036 20 0 HCADRO Cc1nsc(N2CCCN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)n1 ZINC000556246727 1078555030 /nfs/dbraw/zinc/55/50/30/1078555030.db2.gz LEYMEZBRLNXARP-UHFFFAOYSA-N 1 0 406.556 0.876 20 0 HCADRO COc1cc(N2CCN(C(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)CC2)ncn1 ZINC000556246763 1078555135 /nfs/dbraw/zinc/55/51/35/1078555135.db2.gz LRZKKWVZBQANPA-UHFFFAOYSA-N 1 0 412.494 0.512 20 0 HCADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CCCc4occc43)CC2)CC1 ZINC000556247322 1078555963 /nfs/dbraw/zinc/55/59/63/1078555963.db2.gz UOYVPFPFUSQQEV-KRWDZBQOSA-N 1 0 402.495 0.786 20 0 HCADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CCCc4occc43)CC2)CC1 ZINC000556247323 1078556031 /nfs/dbraw/zinc/55/60/31/1078556031.db2.gz UOYVPFPFUSQQEV-QGZVFWFLSA-N 1 0 402.495 0.786 20 0 HCADRO O=C(NC1CCN(c2ccccn2)CC1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000556247393 1078556007 /nfs/dbraw/zinc/55/60/07/1078556007.db2.gz VPISEVHBOQNCRF-UHFFFAOYSA-N 1 0 409.494 0.696 20 0 HCADRO COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000556247900 1078555987 /nfs/dbraw/zinc/55/59/87/1078555987.db2.gz FFIXDJJLJFDBHM-MOPGFXCFSA-N 1 0 407.511 0.237 20 0 HCADRO COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000556247902 1078556044 /nfs/dbraw/zinc/55/60/44/1078556044.db2.gz FFIXDJJLJFDBHM-OALUTQOASA-N 1 0 407.511 0.237 20 0 HCADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000556247904 1078555948 /nfs/dbraw/zinc/55/59/48/1078555948.db2.gz FFIXDJJLJFDBHM-RBUKOAKNSA-N 1 0 407.511 0.237 20 0 HCADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000556247906 1078556056 /nfs/dbraw/zinc/55/60/56/1078556056.db2.gz FFIXDJJLJFDBHM-RTBURBONSA-N 1 0 407.511 0.237 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000556248133 1078555905 /nfs/dbraw/zinc/55/59/05/1078555905.db2.gz YMRSKUSHRCANIU-AWEZNQCLSA-N 1 0 422.551 0.763 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000556248135 1078556022 /nfs/dbraw/zinc/55/60/22/1078556022.db2.gz YMRSKUSHRCANIU-CQSZACIVSA-N 1 0 422.551 0.763 20 0 HCADRO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000556248829 1078556284 /nfs/dbraw/zinc/55/62/84/1078556284.db2.gz LCSQQLYHSYZKGF-KRWDZBQOSA-N 1 0 412.556 0.004 20 0 HCADRO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000556248833 1078556331 /nfs/dbraw/zinc/55/63/31/1078556331.db2.gz LCSQQLYHSYZKGF-QGZVFWFLSA-N 1 0 412.556 0.004 20 0 HCADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1 ZINC000556249044 1078556237 /nfs/dbraw/zinc/55/62/37/1078556237.db2.gz VCZYOBQORYXQMD-NRFANRHFSA-N 1 0 415.494 0.201 20 0 HCADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 ZINC000556249047 1078556310 /nfs/dbraw/zinc/55/63/10/1078556310.db2.gz VCZYOBQORYXQMD-OAQYLSRUSA-N 1 0 415.494 0.201 20 0 HCADRO COc1ccnc(N2CCN(C(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)CC2)n1 ZINC000556249657 1078556822 /nfs/dbraw/zinc/55/68/22/1078556822.db2.gz ZKVJAPXVRKUCJS-UHFFFAOYSA-N 1 0 412.494 0.512 20 0 HCADRO COc1ccnc(N2CCN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)n1 ZINC000556249774 1078557010 /nfs/dbraw/zinc/55/70/10/1078557010.db2.gz ZGWWTVSGYUZPQP-UHFFFAOYSA-N 1 0 402.499 0.124 20 0 HCADRO COC(=O)CCN1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000556250010 1078557004 /nfs/dbraw/zinc/55/70/04/1078557004.db2.gz UGMDVZCDJRUFIX-INIZCTEOSA-N 1 0 404.511 0.460 20 0 HCADRO COC(=O)CCN1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000556250013 1078556959 /nfs/dbraw/zinc/55/69/59/1078556959.db2.gz UGMDVZCDJRUFIX-MRXNPFEDSA-N 1 0 404.511 0.460 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCCNc2ccccn2)CC1 ZINC000556251888 1078557827 /nfs/dbraw/zinc/55/78/27/1078557827.db2.gz CXIUCDZUWGRTKJ-UHFFFAOYSA-N 1 0 404.515 0.059 20 0 HCADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000556252715 1078565345 /nfs/dbraw/zinc/56/53/45/1078565345.db2.gz JEOWXLWBMIUPOD-KRWDZBQOSA-N 1 0 415.538 0.878 20 0 HCADRO O=C(NCCS(=O)(=O)c1ccccc1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000556254991 1078559823 /nfs/dbraw/zinc/55/98/23/1078559823.db2.gz YHHFYYJOVZGCCL-UHFFFAOYSA-N 1 0 423.535 0.338 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cnn(Cc3ccccc3)c2)CC1 ZINC000556258083 1078561336 /nfs/dbraw/zinc/56/13/36/1078561336.db2.gz XRKYISYXOKUGBJ-UHFFFAOYSA-N 1 0 413.522 0.853 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000556259339 1078562757 /nfs/dbraw/zinc/56/27/57/1078562757.db2.gz FDRBKTSWFJOCEF-CVEARBPZSA-N 1 0 404.554 0.745 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000556259352 1078562774 /nfs/dbraw/zinc/56/27/74/1078562774.db2.gz FDRBKTSWFJOCEF-HOTGVXAUSA-N 1 0 404.554 0.745 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000556259353 1078562681 /nfs/dbraw/zinc/56/26/81/1078562681.db2.gz FDRBKTSWFJOCEF-HZPDHXFCSA-N 1 0 404.554 0.745 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000556259354 1078563229 /nfs/dbraw/zinc/56/32/29/1078563229.db2.gz FDRBKTSWFJOCEF-JKSUJKDBSA-N 1 0 404.554 0.745 20 0 HCADRO CS(=O)(=O)C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000556260757 1078563757 /nfs/dbraw/zinc/56/37/57/1078563757.db2.gz JHDJRUDRAJWTMT-DLBZAZTESA-N 1 0 409.556 0.695 20 0 HCADRO CS(=O)(=O)C[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000556260758 1078563851 /nfs/dbraw/zinc/56/38/51/1078563851.db2.gz JHDJRUDRAJWTMT-IAGOWNOFSA-N 1 0 409.556 0.695 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CCCO1 ZINC000556260851 1078563801 /nfs/dbraw/zinc/56/38/01/1078563801.db2.gz OLFPIFDUHKPFTD-INIZCTEOSA-N 1 0 411.524 0.194 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CCCO1 ZINC000556260857 1078563870 /nfs/dbraw/zinc/56/38/70/1078563870.db2.gz OLFPIFDUHKPFTD-MRXNPFEDSA-N 1 0 411.524 0.194 20 0 HCADRO CS(=O)(=O)C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000556261140 1078563269 /nfs/dbraw/zinc/56/32/69/1078563269.db2.gz JHDJRUDRAJWTMT-IRXDYDNUSA-N 1 0 409.556 0.695 20 0 HCADRO CS(=O)(=O)C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000556261145 1078563329 /nfs/dbraw/zinc/56/33/29/1078563329.db2.gz JHDJRUDRAJWTMT-SJORKVTESA-N 1 0 409.556 0.695 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000556262011 1078564335 /nfs/dbraw/zinc/56/43/35/1078564335.db2.gz UBWGJONVKBXBFF-UHFFFAOYSA-N 1 0 424.567 0.061 20 0 HCADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000556262931 1078559417 /nfs/dbraw/zinc/55/94/17/1078559417.db2.gz YGFAZSSHCSAGCV-UHFFFAOYSA-N 1 0 411.524 0.146 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](CS(C)(=O)=O)C3)cn2)CC1 ZINC000556263519 1078566507 /nfs/dbraw/zinc/56/65/07/1078566507.db2.gz LLQUAZFHNVTGTM-KRWDZBQOSA-N 1 0 409.556 0.800 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CS(C)(=O)=O)C3)cn2)CC1 ZINC000556263521 1078566516 /nfs/dbraw/zinc/56/65/16/1078566516.db2.gz LLQUAZFHNVTGTM-QGZVFWFLSA-N 1 0 409.556 0.800 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000556265930 1078567057 /nfs/dbraw/zinc/56/70/57/1078567057.db2.gz HJIDZUSRPJGGPP-UHFFFAOYSA-N 1 0 408.518 0.945 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000556266186 1078566979 /nfs/dbraw/zinc/56/69/79/1078566979.db2.gz IZORDMZSELZOQY-UHFFFAOYSA-N 1 0 416.519 0.291 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000556266280 1078567878 /nfs/dbraw/zinc/56/78/78/1078567878.db2.gz KKVXGOVKGXGQFP-UHFFFAOYSA-N 1 0 404.577 0.355 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000556266402 1078567832 /nfs/dbraw/zinc/56/78/32/1078567832.db2.gz MIQCHVYTNUMTML-KRWDZBQOSA-N 1 0 416.588 0.688 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000556266407 1078567984 /nfs/dbraw/zinc/56/79/84/1078567984.db2.gz MIQCHVYTNUMTML-QGZVFWFLSA-N 1 0 416.588 0.688 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000556268281 1078569030 /nfs/dbraw/zinc/56/90/30/1078569030.db2.gz CWQKPQLXVWWYTH-KRWDZBQOSA-N 1 0 419.526 0.652 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000556268282 1078568951 /nfs/dbraw/zinc/56/89/51/1078568951.db2.gz CWQKPQLXVWWYTH-QGZVFWFLSA-N 1 0 419.526 0.652 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000556268284 1078568810 /nfs/dbraw/zinc/56/88/10/1078568810.db2.gz DHBOMQDMNPJKPK-KRWDZBQOSA-N 1 0 412.556 0.502 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000556268285 1078568999 /nfs/dbraw/zinc/56/89/99/1078568999.db2.gz DHBOMQDMNPJKPK-QGZVFWFLSA-N 1 0 412.556 0.502 20 0 HCADRO CN(CCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC000556268516 1078569909 /nfs/dbraw/zinc/56/99/09/1078569909.db2.gz LNIZSWAFMFDSNP-HNNXBMFYSA-N 1 0 408.465 0.558 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000556268569 1078569861 /nfs/dbraw/zinc/56/98/61/1078569861.db2.gz MRQFWRZTGUKOHW-UHFFFAOYSA-N 1 0 422.501 0.585 20 0 HCADRO CN(CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)CC(F)(F)F ZINC000556268746 1078569872 /nfs/dbraw/zinc/56/98/72/1078569872.db2.gz GMQNJNLNXSFHRI-CVEARBPZSA-N 1 0 422.492 0.871 20 0 HCADRO CN(CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)CC(F)(F)F ZINC000556268749 1078569931 /nfs/dbraw/zinc/56/99/31/1078569931.db2.gz GMQNJNLNXSFHRI-HOTGVXAUSA-N 1 0 422.492 0.871 20 0 HCADRO CN(CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)CC(F)(F)F ZINC000556268752 1078569857 /nfs/dbraw/zinc/56/98/57/1078569857.db2.gz GMQNJNLNXSFHRI-HZPDHXFCSA-N 1 0 422.492 0.871 20 0 HCADRO CN(CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)CC(F)(F)F ZINC000556268756 1078569405 /nfs/dbraw/zinc/56/94/05/1078569405.db2.gz GMQNJNLNXSFHRI-JKSUJKDBSA-N 1 0 422.492 0.871 20 0 HCADRO CN(CCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)CC(F)(F)F ZINC000556268765 1078569481 /nfs/dbraw/zinc/56/94/81/1078569481.db2.gz GPFYMJJMZBRMAY-INIZCTEOSA-N 1 0 421.508 0.615 20 0 HCADRO CN(CCCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)CC(F)(F)F ZINC000556268767 1078569382 /nfs/dbraw/zinc/56/93/82/1078569382.db2.gz GPFYMJJMZBRMAY-MRXNPFEDSA-N 1 0 421.508 0.615 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000556268820 1078569339 /nfs/dbraw/zinc/56/93/39/1078569339.db2.gz HFEBQSRUQQHQCM-UHFFFAOYSA-N 1 0 402.561 0.109 20 0 HCADRO Cc1n[nH]cc1CNC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000556268918 1078569394 /nfs/dbraw/zinc/56/93/94/1078569394.db2.gz KOPMVQAFAWOZBS-UHFFFAOYSA-N 1 0 406.531 0.277 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000556269314 1078570428 /nfs/dbraw/zinc/57/04/28/1078570428.db2.gz NGNVVRHFVZZKCD-UHFFFAOYSA-N 1 0 404.511 0.492 20 0 HCADRO Cn1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cn1 ZINC000556269603 1078570915 /nfs/dbraw/zinc/57/09/15/1078570915.db2.gz PPUIEIKZCLSZDU-KRWDZBQOSA-N 1 0 411.510 0.814 20 0 HCADRO Cn1cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cn1 ZINC000556269611 1078570868 /nfs/dbraw/zinc/57/08/68/1078570868.db2.gz PPUIEIKZCLSZDU-QGZVFWFLSA-N 1 0 411.510 0.814 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000556269918 1078570941 /nfs/dbraw/zinc/57/09/41/1078570941.db2.gz RLHPZCXEBXCSSL-DLBZAZTESA-N 1 0 410.540 0.336 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000556269921 1078570369 /nfs/dbraw/zinc/57/03/69/1078570369.db2.gz RLHPZCXEBXCSSL-IAGOWNOFSA-N 1 0 410.540 0.336 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000556269922 1078570478 /nfs/dbraw/zinc/57/04/78/1078570478.db2.gz RLHPZCXEBXCSSL-IRXDYDNUSA-N 1 0 410.540 0.336 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000556269923 1078570321 /nfs/dbraw/zinc/57/03/21/1078570321.db2.gz RLHPZCXEBXCSSL-SJORKVTESA-N 1 0 410.540 0.336 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000556270044 1078570445 /nfs/dbraw/zinc/57/04/45/1078570445.db2.gz WWWDWLDEKOPYQD-BZUAXINKSA-N 1 0 404.577 0.257 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000556270046 1078570252 /nfs/dbraw/zinc/57/02/52/1078570252.db2.gz WWWDWLDEKOPYQD-HRCADAONSA-N 1 0 404.577 0.257 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000556270048 1078570301 /nfs/dbraw/zinc/57/03/01/1078570301.db2.gz WWWDWLDEKOPYQD-OWCLPIDISA-N 1 0 404.577 0.257 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000556270049 1078570505 /nfs/dbraw/zinc/57/05/05/1078570505.db2.gz WWWDWLDEKOPYQD-XHSDSOJGSA-N 1 0 404.577 0.257 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000556270123 1078570408 /nfs/dbraw/zinc/57/04/08/1078570408.db2.gz VCHJFRNAEKZDJJ-UHFFFAOYSA-N 1 0 422.501 0.631 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCCN(C)CC(F)(F)F)C2)CC1 ZINC000556270215 1078571403 /nfs/dbraw/zinc/57/14/03/1078571403.db2.gz XYYORUBUPAIXTN-HNNXBMFYSA-N 1 0 407.481 0.225 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCCN(C)CC(F)(F)F)C2)CC1 ZINC000556270216 1078571315 /nfs/dbraw/zinc/57/13/15/1078571315.db2.gz XYYORUBUPAIXTN-OAHLLOKOSA-N 1 0 407.481 0.225 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000556270342 1078571487 /nfs/dbraw/zinc/57/14/87/1078571487.db2.gz CRZXRBSAZJSHBY-UHFFFAOYSA-N 1 0 418.538 0.800 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000556270683 1078571787 /nfs/dbraw/zinc/57/17/87/1078571787.db2.gz PUGVFGXTXGCMSR-UHFFFAOYSA-N 1 0 414.510 0.296 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000556271545 1078572331 /nfs/dbraw/zinc/57/23/31/1078572331.db2.gz YORWPVSJVNCWJZ-UHFFFAOYSA-N 1 0 408.499 0.393 20 0 HCADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000556271914 1078572436 /nfs/dbraw/zinc/57/24/36/1078572436.db2.gz BKBKLWGKIVKFGM-INIZCTEOSA-N 1 0 403.527 0.590 20 0 HCADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000556271974 1078572363 /nfs/dbraw/zinc/57/23/63/1078572363.db2.gz BTTTWJSMQHMHLR-GOSISDBHSA-N 1 0 405.543 0.837 20 0 HCADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000556271983 1078572415 /nfs/dbraw/zinc/57/24/15/1078572415.db2.gz BTTTWJSMQHMHLR-SFHVURJKSA-N 1 0 405.543 0.837 20 0 HCADRO O=C(NCCc1cn2c(n1)CCCC2)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000556272293 1078573389 /nfs/dbraw/zinc/57/33/89/1078573389.db2.gz BJOLEWWJYBLWEA-UHFFFAOYSA-N 1 0 403.527 0.449 20 0 HCADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)NCCc2cn3c(n2)CCCC3)cn1 ZINC000556272606 1078572964 /nfs/dbraw/zinc/57/29/64/1078572964.db2.gz GTNYZRVKJYLORG-INIZCTEOSA-N 1 0 402.524 0.928 20 0 HCADRO Cn1cc([C@H]2CSCCN2C(=O)C(=O)NCCc2cn3c(n2)CCCC3)cn1 ZINC000556272608 1078573003 /nfs/dbraw/zinc/57/30/03/1078573003.db2.gz GTNYZRVKJYLORG-MRXNPFEDSA-N 1 0 402.524 0.928 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000556274028 1078573482 /nfs/dbraw/zinc/57/34/82/1078573482.db2.gz VSIAVAAZNIWOSJ-UHFFFAOYSA-N 1 0 418.538 0.834 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCCc2cn3c(n2)CCCC3)ccn1 ZINC000556274084 1078565454 /nfs/dbraw/zinc/56/54/54/1078565454.db2.gz UMBJUGWWAPHEPI-UHFFFAOYSA-N 1 0 414.510 0.530 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000556274443 1078576193 /nfs/dbraw/zinc/57/61/93/1078576193.db2.gz YPNVWPJVMVJXLK-UHFFFAOYSA-N 1 0 418.538 0.800 20 0 HCADRO C[NH+]1CCN(c2cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)ccn2)CC1 ZINC000556276352 1078577387 /nfs/dbraw/zinc/57/73/87/1078577387.db2.gz JCTRRIHIZSHEJF-UHFFFAOYSA-N 1 0 401.511 0.544 20 0 HCADRO CN(CC(C)(C)O)C(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000556279379 1078574036 /nfs/dbraw/zinc/57/40/36/1078574036.db2.gz FNYBLKOOHRQZSC-UHFFFAOYSA-N 1 0 404.555 0.930 20 0 HCADRO COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000556279918 1078573436 /nfs/dbraw/zinc/57/34/36/1078573436.db2.gz JCOZNANHLYOPTR-PBHICJAKSA-N 1 0 420.485 0.777 20 0 HCADRO COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000556279921 1078573342 /nfs/dbraw/zinc/57/33/42/1078573342.db2.gz JCOZNANHLYOPTR-RHSMWYFYSA-N 1 0 420.485 0.777 20 0 HCADRO COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000556279923 1078573405 /nfs/dbraw/zinc/57/34/05/1078573405.db2.gz JCOZNANHLYOPTR-WMLDXEAASA-N 1 0 420.485 0.777 20 0 HCADRO COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000556279924 1078573419 /nfs/dbraw/zinc/57/34/19/1078573419.db2.gz JCOZNANHLYOPTR-YOEHRIQHSA-N 1 0 420.485 0.777 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000556281591 1078574609 /nfs/dbraw/zinc/57/46/09/1078574609.db2.gz OPFXIVKMJMINMM-IBGZPJMESA-N 1 0 416.570 0.507 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C[C@H]1CO ZINC000556281846 1078574576 /nfs/dbraw/zinc/57/45/76/1078574576.db2.gz ZUZRDZPQGUGTML-CTNGQTDRSA-N 1 0 416.566 0.787 20 0 HCADRO Cn1cc(CNC(=O)C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)cn1 ZINC000556282081 1078574069 /nfs/dbraw/zinc/57/40/69/1078574069.db2.gz MGTWTZYEGGBKMG-UHFFFAOYSA-N 1 0 412.538 0.751 20 0 HCADRO C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000556282525 1078575037 /nfs/dbraw/zinc/57/50/37/1078575037.db2.gz SMGQMYKKYODWJT-AWEZNQCLSA-N 1 0 403.508 0.972 20 0 HCADRO C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000556282526 1078575125 /nfs/dbraw/zinc/57/51/25/1078575125.db2.gz SMGQMYKKYODWJT-CQSZACIVSA-N 1 0 403.508 0.972 20 0 HCADRO Cn1ccnc1CNC(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000556282699 1078575053 /nfs/dbraw/zinc/57/50/53/1078575053.db2.gz ZIYZJWUHSKKSGP-UHFFFAOYSA-N 1 0 412.538 0.751 20 0 HCADRO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000556286122 1078582969 /nfs/dbraw/zinc/58/29/69/1078582969.db2.gz AAFSLLNIRWKWMU-AEFFLSMTSA-N 1 0 402.543 0.542 20 0 HCADRO Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000556286130 1078583098 /nfs/dbraw/zinc/58/30/98/1078583098.db2.gz AAFSLLNIRWKWMU-FUHWJXTLSA-N 1 0 402.543 0.542 20 0 HCADRO Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000556286131 1078582936 /nfs/dbraw/zinc/58/29/36/1078582936.db2.gz AAFSLLNIRWKWMU-SJLPKXTDSA-N 1 0 402.543 0.542 20 0 HCADRO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000556286132 1078582997 /nfs/dbraw/zinc/58/29/97/1078582997.db2.gz AAFSLLNIRWKWMU-WMZOPIPTSA-N 1 0 402.543 0.542 20 0 HCADRO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000556289094 1078584713 /nfs/dbraw/zinc/58/47/13/1078584713.db2.gz ZCUPAWSSINWWCZ-HKUYNNGSSA-N 1 0 411.506 0.797 20 0 HCADRO Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000556289095 1078584803 /nfs/dbraw/zinc/58/48/03/1078584803.db2.gz ZCUPAWSSINWWCZ-IEBWSBKVSA-N 1 0 411.506 0.797 20 0 HCADRO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000556289096 1078584854 /nfs/dbraw/zinc/58/48/54/1078584854.db2.gz ZCUPAWSSINWWCZ-MJGOQNOKSA-N 1 0 411.506 0.797 20 0 HCADRO Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000556289097 1078584764 /nfs/dbraw/zinc/58/47/64/1078584764.db2.gz ZCUPAWSSINWWCZ-PKOBYXMFSA-N 1 0 411.506 0.797 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H](CO)CC3CCC3)c2)CC1 ZINC000556293056 1078579827 /nfs/dbraw/zinc/57/98/27/1078579827.db2.gz MOPCKIYBGUZGRZ-IBGZPJMESA-N 1 0 416.522 0.990 20 0 HCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H](CO)CC3CCC3)c2)CC1 ZINC000556293058 1078579776 /nfs/dbraw/zinc/57/97/76/1078579776.db2.gz MOPCKIYBGUZGRZ-LJQANCHMSA-N 1 0 416.522 0.990 20 0 HCADRO O=C(NCC1(N2CCOCC2)CC1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000556293854 1078580972 /nfs/dbraw/zinc/58/09/72/1078580972.db2.gz YKZJYIDSSLKAJZ-IBGZPJMESA-N 1 0 400.523 0.748 20 0 HCADRO O=C(NCC1(N2CCOCC2)CC1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000556293856 1078580855 /nfs/dbraw/zinc/58/08/55/1078580855.db2.gz YKZJYIDSSLKAJZ-LJQANCHMSA-N 1 0 400.523 0.748 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc3ncccc3c2)CC1 ZINC000556294700 1078581397 /nfs/dbraw/zinc/58/13/97/1078581397.db2.gz XPURKJIOXKQLCS-UHFFFAOYSA-N 1 0 411.506 0.910 20 0 HCADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000556295298 1078587475 /nfs/dbraw/zinc/58/74/75/1078587475.db2.gz CGJKPXNOGTVEEC-BJOOFOGMSA-N 1 0 408.524 0.911 20 0 HCADRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000556295301 1078587499 /nfs/dbraw/zinc/58/74/99/1078587499.db2.gz CGJKPXNOGTVEEC-IWEFOYFVSA-N 1 0 408.524 0.911 20 0 HCADRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000556295302 1078587607 /nfs/dbraw/zinc/58/76/07/1078587607.db2.gz CGJKPXNOGTVEEC-ULFGMLNVSA-N 1 0 408.524 0.911 20 0 HCADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000556295303 1078587756 /nfs/dbraw/zinc/58/77/56/1078587756.db2.gz CGJKPXNOGTVEEC-XZOAIXRZSA-N 1 0 408.524 0.911 20 0 HCADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000556297325 1078589505 /nfs/dbraw/zinc/58/95/05/1078589505.db2.gz LYCNGPBHZPLFAB-MSOLQXFVSA-N 1 0 422.551 0.307 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000556297340 1078589272 /nfs/dbraw/zinc/58/92/72/1078589272.db2.gz LYCNGPBHZPLFAB-QZTJIDSGSA-N 1 0 422.551 0.307 20 0 HCADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000556297342 1078589416 /nfs/dbraw/zinc/58/94/16/1078589416.db2.gz LYCNGPBHZPLFAB-ROUUACIJSA-N 1 0 422.551 0.307 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000556297344 1078589162 /nfs/dbraw/zinc/58/91/62/1078589162.db2.gz LYCNGPBHZPLFAB-ZWKOTPCHSA-N 1 0 422.551 0.307 20 0 HCADRO Cc1c([C@@H](C)NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cnn1C ZINC000556297947 1078589946 /nfs/dbraw/zinc/58/99/46/1078589946.db2.gz MDQHLCKEAGISEQ-NAZJXLNTSA-N 1 0 402.543 0.675 20 0 HCADRO Cc1c([C@H](C)NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cnn1C ZINC000556297951 1078590016 /nfs/dbraw/zinc/59/00/16/1078590016.db2.gz MDQHLCKEAGISEQ-QTXGHNMQSA-N 1 0 402.543 0.675 20 0 HCADRO Cc1c([C@H](C)NC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cnn1C ZINC000556298178 1078589400 /nfs/dbraw/zinc/58/94/00/1078589400.db2.gz RYWVEFFJCXFVKI-INIZCTEOSA-N 1 0 404.559 0.923 20 0 HCADRO Cc1c([C@@H](C)NC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cnn1C ZINC000556298179 1078589889 /nfs/dbraw/zinc/58/98/89/1078589889.db2.gz RYWVEFFJCXFVKI-MRXNPFEDSA-N 1 0 404.559 0.923 20 0 HCADRO NC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000556298489 1078591763 /nfs/dbraw/zinc/59/17/63/1078591763.db2.gz HMJIQIAHKOKCPU-MSOLQXFVSA-N 1 0 401.511 0.674 20 0 HCADRO NC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000556298491 1078591973 /nfs/dbraw/zinc/59/19/73/1078591973.db2.gz HMJIQIAHKOKCPU-QZTJIDSGSA-N 1 0 401.511 0.674 20 0 HCADRO NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000556298494 1078591654 /nfs/dbraw/zinc/59/16/54/1078591654.db2.gz HMJIQIAHKOKCPU-ROUUACIJSA-N 1 0 401.511 0.674 20 0 HCADRO NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000556298496 1078592023 /nfs/dbraw/zinc/59/20/23/1078592023.db2.gz HMJIQIAHKOKCPU-ZWKOTPCHSA-N 1 0 401.511 0.674 20 0 HCADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000556299918 1078592419 /nfs/dbraw/zinc/59/24/19/1078592419.db2.gz XUYPZDHHNDWRTH-LEWJYISDSA-N 1 0 414.550 0.948 20 0 HCADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000556299928 1078592488 /nfs/dbraw/zinc/59/24/88/1078592488.db2.gz XUYPZDHHNDWRTH-NHCUHLMSSA-N 1 0 414.550 0.948 20 0 HCADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000556299929 1078592321 /nfs/dbraw/zinc/59/23/21/1078592321.db2.gz XUYPZDHHNDWRTH-RTWAWAEBSA-N 1 0 414.550 0.948 20 0 HCADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000556299932 1078592657 /nfs/dbraw/zinc/59/26/57/1078592657.db2.gz XUYPZDHHNDWRTH-SFTDATJTSA-N 1 0 414.550 0.948 20 0 HCADRO COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000556300294 1078594787 /nfs/dbraw/zinc/59/47/87/1078594787.db2.gz ZEAGEUQGQVQLRQ-GOSISDBHSA-N 1 0 402.495 0.084 20 0 HCADRO COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000556300301 1078595008 /nfs/dbraw/zinc/59/50/08/1078595008.db2.gz ZEAGEUQGQVQLRQ-SFHVURJKSA-N 1 0 402.495 0.084 20 0 HCADRO CCN(CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000556300332 1078595267 /nfs/dbraw/zinc/59/52/67/1078595267.db2.gz ZPPIQHWPAFDUEY-GOSISDBHSA-N 1 0 424.567 0.555 20 0 HCADRO CCN(CCCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000556300335 1078595200 /nfs/dbraw/zinc/59/52/00/1078595200.db2.gz ZPPIQHWPAFDUEY-SFHVURJKSA-N 1 0 424.567 0.555 20 0 HCADRO COCCN1CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000556300601 1078594829 /nfs/dbraw/zinc/59/48/29/1078594829.db2.gz TYHCWINIEHZVSR-IBGZPJMESA-N 1 0 416.522 0.475 20 0 HCADRO COCCN1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000556300602 1078594698 /nfs/dbraw/zinc/59/46/98/1078594698.db2.gz TYHCWINIEHZVSR-LJQANCHMSA-N 1 0 416.522 0.475 20 0 HCADRO NC(=O)COc1cccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000556300982 1078594161 /nfs/dbraw/zinc/59/41/61/1078594161.db2.gz YPWIVSYJWWXIQP-IBGZPJMESA-N 1 0 424.501 0.948 20 0 HCADRO NC(=O)COc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000556300983 1078594005 /nfs/dbraw/zinc/59/40/05/1078594005.db2.gz YPWIVSYJWWXIQP-LJQANCHMSA-N 1 0 424.501 0.948 20 0 HCADRO CNC(=O)CC1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000556301488 1078595841 /nfs/dbraw/zinc/59/58/41/1078595841.db2.gz BVDNAOOSLPUIRH-UHFFFAOYSA-N 1 0 410.584 0.839 20 0 HCADRO CCn1nccc1CN(CCO)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000556302579 1078585903 /nfs/dbraw/zinc/58/59/03/1078585903.db2.gz AUZOUWBIABQBRB-UHFFFAOYSA-N 1 0 423.583 0.702 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000556302686 1078585367 /nfs/dbraw/zinc/58/53/67/1078585367.db2.gz DXWCKJUXLPPPHH-JXFKEZNVSA-N 1 0 411.568 0.919 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000556302687 1078585192 /nfs/dbraw/zinc/58/51/92/1078585192.db2.gz DXWCKJUXLPPPHH-OXJNMPFZSA-N 1 0 411.568 0.919 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000556302688 1078585881 /nfs/dbraw/zinc/58/58/81/1078585881.db2.gz DXWCKJUXLPPPHH-OXQOHEQNSA-N 1 0 411.568 0.919 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000556302689 1078585935 /nfs/dbraw/zinc/58/59/35/1078585935.db2.gz DXWCKJUXLPPPHH-UZLBHIALSA-N 1 0 411.568 0.919 20 0 HCADRO NC(=O)c1ccc(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)cn1 ZINC000556303330 1078600844 /nfs/dbraw/zinc/60/08/44/1078600844.db2.gz DQZUBZLWKPKMTI-UHFFFAOYSA-N 1 0 405.524 0.275 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@]2(CCOC2)O1 ZINC000556303531 1078586851 /nfs/dbraw/zinc/58/68/51/1078586851.db2.gz HZXIHLHMRJIGSJ-JXFKEZNVSA-N 1 0 411.568 0.871 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@]2(CCOC2)O1 ZINC000556303533 1078587174 /nfs/dbraw/zinc/58/71/74/1078587174.db2.gz HZXIHLHMRJIGSJ-OXJNMPFZSA-N 1 0 411.568 0.871 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@]2(CCOC2)O1 ZINC000556303534 1078587069 /nfs/dbraw/zinc/58/70/69/1078587069.db2.gz HZXIHLHMRJIGSJ-OXQOHEQNSA-N 1 0 411.568 0.871 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@]2(CCOC2)O1 ZINC000556303535 1078586945 /nfs/dbraw/zinc/58/69/45/1078586945.db2.gz HZXIHLHMRJIGSJ-UZLBHIALSA-N 1 0 411.568 0.871 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCOC2(CCOCC2)C1 ZINC000556304094 1078585807 /nfs/dbraw/zinc/58/58/07/1078585807.db2.gz GLFXFTXJUMMPGM-UHFFFAOYSA-N 1 0 411.568 0.872 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000556304183 1078585750 /nfs/dbraw/zinc/58/57/50/1078585750.db2.gz BJWHKLOANAQYMZ-UHFFFAOYSA-N 1 0 420.583 0.995 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000556304269 1078601117 /nfs/dbraw/zinc/60/11/17/1078601117.db2.gz OXWNSZBCCINYCZ-GOSISDBHSA-N 1 0 424.611 0.787 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000556304270 1078601035 /nfs/dbraw/zinc/60/10/35/1078601035.db2.gz OXWNSZBCCINYCZ-SFHVURJKSA-N 1 0 424.611 0.787 20 0 HCADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000556304877 1078602495 /nfs/dbraw/zinc/60/24/95/1078602495.db2.gz IGEHQYWCRTWBJO-KRWDZBQOSA-N 1 0 412.600 0.643 20 0 HCADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000556304879 1078602585 /nfs/dbraw/zinc/60/25/85/1078602585.db2.gz IGEHQYWCRTWBJO-QGZVFWFLSA-N 1 0 412.600 0.643 20 0 HCADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCC1([NH+]3CCSCC3)CCCC1)CCO2 ZINC000556305182 1078601788 /nfs/dbraw/zinc/60/17/88/1078601788.db2.gz MVZMTNRXABMMKU-JXFKEZNVSA-N 1 0 411.568 0.871 20 0 HCADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCC1([NH+]3CCSCC3)CCCC1)CCO2 ZINC000556305184 1078601536 /nfs/dbraw/zinc/60/15/36/1078601536.db2.gz MVZMTNRXABMMKU-OXJNMPFZSA-N 1 0 411.568 0.871 20 0 HCADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCC1([NH+]3CCSCC3)CCCC1)CCO2 ZINC000556305185 1078601873 /nfs/dbraw/zinc/60/18/73/1078601873.db2.gz MVZMTNRXABMMKU-OXQOHEQNSA-N 1 0 411.568 0.871 20 0 HCADRO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCC1([NH+]3CCSCC3)CCCC1)CCO2 ZINC000556305186 1078602009 /nfs/dbraw/zinc/60/20/09/1078602009.db2.gz MVZMTNRXABMMKU-UZLBHIALSA-N 1 0 411.568 0.871 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000556305509 1078603522 /nfs/dbraw/zinc/60/35/22/1078603522.db2.gz OROJVIORIREXKR-UHFFFAOYSA-N 1 0 418.567 0.603 20 0 HCADRO O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000556305626 1078603648 /nfs/dbraw/zinc/60/36/48/1078603648.db2.gz RDUZETMMWFSMPP-HNNXBMFYSA-N 1 0 408.568 0.591 20 0 HCADRO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000556305628 1078603388 /nfs/dbraw/zinc/60/33/88/1078603388.db2.gz RDUZETMMWFSMPP-OAHLLOKOSA-N 1 0 408.568 0.591 20 0 HCADRO CNC(=O)C1CCC(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000556305765 1078603740 /nfs/dbraw/zinc/60/37/40/1078603740.db2.gz MEIIBLZJYGIUOX-UHFFFAOYSA-N 1 0 410.584 0.885 20 0 HCADRO CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000556306401 1078605192 /nfs/dbraw/zinc/60/51/92/1078605192.db2.gz YAXGDLNKFQALKF-KRWDZBQOSA-N 1 0 410.584 0.839 20 0 HCADRO CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000556306402 1078605279 /nfs/dbraw/zinc/60/52/79/1078605279.db2.gz YAXGDLNKFQALKF-QGZVFWFLSA-N 1 0 410.584 0.839 20 0 HCADRO O=C(NCCN1CCSCC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000556306503 1078605093 /nfs/dbraw/zinc/60/50/93/1078605093.db2.gz KSBWMDTWOYACPM-UHFFFAOYSA-N 1 0 400.614 0.629 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)CN1CCOCC1 ZINC000556306695 1078604377 /nfs/dbraw/zinc/60/43/77/1078604377.db2.gz VZHYFGLEJUAAKK-KRWDZBQOSA-N 1 0 412.600 0.549 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)CN1CCOCC1 ZINC000556306696 1078604368 /nfs/dbraw/zinc/60/43/68/1078604368.db2.gz VZHYFGLEJUAAKK-QGZVFWFLSA-N 1 0 412.600 0.549 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000556308939 1078595873 /nfs/dbraw/zinc/59/58/73/1078595873.db2.gz LQEQWUZMTMCENG-UHFFFAOYSA-N 1 0 418.513 0.986 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000556309517 1078597556 /nfs/dbraw/zinc/59/75/56/1078597556.db2.gz OLDJZCUFFDOLTG-UHFFFAOYSA-N 1 0 416.497 0.740 20 0 HCADRO C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000556310047 1078597593 /nfs/dbraw/zinc/59/75/93/1078597593.db2.gz OVDPJHOAGYKEJZ-IBGZPJMESA-N 1 0 412.538 0.664 20 0 HCADRO C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000556310049 1078597805 /nfs/dbraw/zinc/59/78/05/1078597805.db2.gz OVDPJHOAGYKEJZ-LJQANCHMSA-N 1 0 412.538 0.664 20 0 HCADRO C[C@@H](Cn1ccnc1)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000556311619 1078600188 /nfs/dbraw/zinc/60/01/88/1078600188.db2.gz HIBSNIXMYNDVBA-HNNXBMFYSA-N 1 0 406.531 0.131 20 0 HCADRO C[C@H](Cn1ccnc1)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000556311627 1078603816 /nfs/dbraw/zinc/60/38/16/1078603816.db2.gz HIBSNIXMYNDVBA-OAHLLOKOSA-N 1 0 406.531 0.131 20 0 HCADRO CN(C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000556314536 1078612816 /nfs/dbraw/zinc/61/28/16/1078612816.db2.gz KFOZWEOAQBQKCB-GOSISDBHSA-N 1 0 422.551 0.754 20 0 HCADRO CN(C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000556314552 1078612822 /nfs/dbraw/zinc/61/28/22/1078612822.db2.gz KFOZWEOAQBQKCB-SFHVURJKSA-N 1 0 422.551 0.754 20 0 HCADRO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)cc2)CC1 ZINC000556314751 1078612843 /nfs/dbraw/zinc/61/28/43/1078612843.db2.gz PISGUZXHLBRKJW-KRWDZBQOSA-N 1 0 417.554 0.646 20 0 HCADRO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc2)CC1 ZINC000556314760 1078612896 /nfs/dbraw/zinc/61/28/96/1078612896.db2.gz PISGUZXHLBRKJW-QGZVFWFLSA-N 1 0 417.554 0.646 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)C[NH+](C)C ZINC000556314908 1078612200 /nfs/dbraw/zinc/61/22/00/1078612200.db2.gz HNVROMRXYIVDMU-CYBMUJFWSA-N 1 0 407.496 0.528 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)C[NH+](C)C ZINC000556314910 1078612072 /nfs/dbraw/zinc/61/20/72/1078612072.db2.gz HNVROMRXYIVDMU-ZDUSSCGKSA-N 1 0 407.496 0.528 20 0 HCADRO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000556315767 1078613539 /nfs/dbraw/zinc/61/35/39/1078613539.db2.gz OGEXKILZTLYYAB-KBPBESRZSA-N 1 0 414.528 0.252 20 0 HCADRO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000556315770 1078613579 /nfs/dbraw/zinc/61/35/79/1078613579.db2.gz OGEXKILZTLYYAB-KGLIPLIRSA-N 1 0 414.528 0.252 20 0 HCADRO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000556315772 1078613263 /nfs/dbraw/zinc/61/32/63/1078613263.db2.gz OGEXKILZTLYYAB-UONOGXRCSA-N 1 0 414.528 0.252 20 0 HCADRO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000556315773 1078613497 /nfs/dbraw/zinc/61/34/97/1078613497.db2.gz OGEXKILZTLYYAB-ZIAGYGMSSA-N 1 0 414.528 0.252 20 0 HCADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCC2(O)CCS(=O)(=O)CC2)[C@H](C(F)(F)F)C1 ZINC000556316252 1078612777 /nfs/dbraw/zinc/61/27/77/1078612777.db2.gz GQYIVWQHKCJZNL-VXGBXAGGSA-N 1 0 400.463 0.951 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)C[NH+](C)C ZINC000556316856 1078614802 /nfs/dbraw/zinc/61/48/02/1078614802.db2.gz XUVKNCOCWKPLSR-GDBMZVCRSA-N 1 0 411.524 0.892 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)C[NH+](C)C ZINC000556316859 1078614676 /nfs/dbraw/zinc/61/46/76/1078614676.db2.gz XUVKNCOCWKPLSR-GOEBONIOSA-N 1 0 411.524 0.892 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)C[NH+](C)C ZINC000556316860 1078615536 /nfs/dbraw/zinc/61/55/36/1078615536.db2.gz XUVKNCOCWKPLSR-HOCLYGCPSA-N 1 0 411.524 0.892 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)C[NH+](C)C ZINC000556316861 1078615167 /nfs/dbraw/zinc/61/51/67/1078615167.db2.gz XUVKNCOCWKPLSR-ZBFHGGJFSA-N 1 0 411.524 0.892 20 0 HCADRO C[C@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC2)C[C@H](C)O1 ZINC000556316919 1078615574 /nfs/dbraw/zinc/61/55/74/1078615574.db2.gz QMRNETHHGDTXRX-OALUTQOASA-N 1 0 416.570 0.946 20 0 HCADRO C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC2)C[C@@H](C)O1 ZINC000556316921 1078615597 /nfs/dbraw/zinc/61/55/97/1078615597.db2.gz QMRNETHHGDTXRX-RTBURBONSA-N 1 0 416.570 0.946 20 0 HCADRO CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000556317248 1078614031 /nfs/dbraw/zinc/61/40/31/1078614031.db2.gz VOFMEOGUHQRVCK-HNNXBMFYSA-N 1 0 412.512 0.058 20 0 HCADRO CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000556317249 1078614721 /nfs/dbraw/zinc/61/47/21/1078614721.db2.gz VOFMEOGUHQRVCK-OAHLLOKOSA-N 1 0 412.512 0.058 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)C[NH+](C)C ZINC000556317470 1078616615 /nfs/dbraw/zinc/61/66/15/1078616615.db2.gz SLADDHKOMZAHLO-CYBMUJFWSA-N 1 0 413.544 0.255 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)C[NH+](C)C ZINC000556317471 1078616556 /nfs/dbraw/zinc/61/65/56/1078616556.db2.gz SLADDHKOMZAHLO-ZDUSSCGKSA-N 1 0 413.544 0.255 20 0 HCADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000556324709 1078620661 /nfs/dbraw/zinc/62/06/61/1078620661.db2.gz QGQFPTLNPVMHJL-CYBMUJFWSA-N 1 0 407.500 0.293 20 0 HCADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000556324712 1078620834 /nfs/dbraw/zinc/62/08/34/1078620834.db2.gz QGQFPTLNPVMHJL-ZDUSSCGKSA-N 1 0 407.500 0.293 20 0 HCADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000556327553 1078623526 /nfs/dbraw/zinc/62/35/26/1078623526.db2.gz ZMMVOERJNZTHQK-GOSISDBHSA-N 1 0 408.568 0.943 20 0 HCADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000556327555 1078623303 /nfs/dbraw/zinc/62/33/03/1078623303.db2.gz ZMMVOERJNZTHQK-SFHVURJKSA-N 1 0 408.568 0.943 20 0 HCADRO CCOc1c(Cl)cc(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1OC ZINC000556331941 1078626694 /nfs/dbraw/zinc/62/66/94/1078626694.db2.gz VTFDUNUYIOURJC-AWEZNQCLSA-N 1 0 412.918 0.726 20 0 HCADRO CCOc1c(Cl)cc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1OC ZINC000556331942 1078626580 /nfs/dbraw/zinc/62/65/80/1078626580.db2.gz VTFDUNUYIOURJC-CQSZACIVSA-N 1 0 412.918 0.726 20 0 HCADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000556332724 1078627520 /nfs/dbraw/zinc/62/75/20/1078627520.db2.gz YHIYGICNMJSXDV-UHFFFAOYSA-N 1 0 401.511 0.952 20 0 HCADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000556333405 1078629546 /nfs/dbraw/zinc/62/95/46/1078629546.db2.gz BQUKKFGQUXCHHP-DFNIBXOVSA-N 1 0 416.570 0.465 20 0 HCADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000556333737 1078623974 /nfs/dbraw/zinc/62/39/74/1078623974.db2.gz GDDAPSUWOULHJP-CALCHBBNSA-N 1 0 418.586 0.713 20 0 HCADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000556333739 1078624012 /nfs/dbraw/zinc/62/40/12/1078624012.db2.gz GDDAPSUWOULHJP-IAGOWNOFSA-N 1 0 418.586 0.713 20 0 HCADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000556333741 1078624080 /nfs/dbraw/zinc/62/40/80/1078624080.db2.gz GDDAPSUWOULHJP-IRXDYDNUSA-N 1 0 418.586 0.713 20 0 HCADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCc2c(C)nn(C)c2C)CC1 ZINC000556333993 1078620115 /nfs/dbraw/zinc/62/01/15/1078620115.db2.gz IDAXBHUXDJONAU-UHFFFAOYSA-N 1 0 400.483 0.448 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCc3c(C)nn(C)c3C)CC2)c1 ZINC000556334719 1078630097 /nfs/dbraw/zinc/63/00/97/1078630097.db2.gz OLBDDRQOLHXLHZ-UHFFFAOYSA-N 1 0 400.483 0.448 20 0 HCADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000556335805 1078631235 /nfs/dbraw/zinc/63/12/35/1078631235.db2.gz XEDCXBJBFLUFPA-IBGZPJMESA-N 1 0 413.522 0.579 20 0 HCADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000556335806 1078631190 /nfs/dbraw/zinc/63/11/90/1078631190.db2.gz XEDCXBJBFLUFPA-LJQANCHMSA-N 1 0 413.522 0.579 20 0 HCADRO C[N@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCSC1 ZINC000556344145 1078637319 /nfs/dbraw/zinc/63/73/19/1078637319.db2.gz FPKKDEBGZWCBTR-INIZCTEOSA-N 1 0 413.565 0.761 20 0 HCADRO C[N@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCSC1 ZINC000556344146 1078637253 /nfs/dbraw/zinc/63/72/53/1078637253.db2.gz FPKKDEBGZWCBTR-MRXNPFEDSA-N 1 0 413.565 0.761 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000556347661 1078639624 /nfs/dbraw/zinc/63/96/24/1078639624.db2.gz BVKFLOBESBJYBX-INIZCTEOSA-N 1 0 404.486 0.958 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000556347662 1078639576 /nfs/dbraw/zinc/63/95/76/1078639576.db2.gz BVKFLOBESBJYBX-MRXNPFEDSA-N 1 0 404.486 0.958 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000556347780 1078638977 /nfs/dbraw/zinc/63/89/77/1078638977.db2.gz QSFYIYFREOSUGT-IBGZPJMESA-N 1 0 401.555 0.725 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000556347781 1078639131 /nfs/dbraw/zinc/63/91/31/1078639131.db2.gz QSFYIYFREOSUGT-LJQANCHMSA-N 1 0 401.555 0.725 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)C[NH+]1CCN(C)CC1 ZINC000556348100 1078639015 /nfs/dbraw/zinc/63/90/15/1078639015.db2.gz KGVNHUBJFUIQRH-DOTOQJQBSA-N 1 0 419.501 0.047 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)C[NH+]1CCN(C)CC1 ZINC000556348101 1078639111 /nfs/dbraw/zinc/63/91/11/1078639111.db2.gz KGVNHUBJFUIQRH-NVXWUHKLSA-N 1 0 419.501 0.047 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)C[NH+]1CCN(C)CC1 ZINC000556348102 1078639059 /nfs/dbraw/zinc/63/90/59/1078639059.db2.gz KGVNHUBJFUIQRH-RDJZCZTQSA-N 1 0 419.501 0.047 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)C[NH+]1CCN(C)CC1 ZINC000556348103 1078638954 /nfs/dbraw/zinc/63/89/54/1078638954.db2.gz KGVNHUBJFUIQRH-WBVHZDCISA-N 1 0 419.501 0.047 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000556348761 1078640868 /nfs/dbraw/zinc/64/08/68/1078640868.db2.gz UIJJHBOJTAJGOB-MSOLQXFVSA-N 1 0 418.538 0.675 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000556348762 1078640900 /nfs/dbraw/zinc/64/09/00/1078640900.db2.gz UIJJHBOJTAJGOB-QZTJIDSGSA-N 1 0 418.538 0.675 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000556348763 1078640830 /nfs/dbraw/zinc/64/08/30/1078640830.db2.gz UIJJHBOJTAJGOB-ROUUACIJSA-N 1 0 418.538 0.675 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000556348764 1078640807 /nfs/dbraw/zinc/64/08/07/1078640807.db2.gz UIJJHBOJTAJGOB-ZWKOTPCHSA-N 1 0 418.538 0.675 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C[NH+]1CCCC1 ZINC000556349025 1078640858 /nfs/dbraw/zinc/64/08/58/1078640858.db2.gz WSKNRYGUBJIHAS-IBGZPJMESA-N 1 0 421.586 0.381 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C[NH+]1CCCC1 ZINC000556349026 1078640894 /nfs/dbraw/zinc/64/08/94/1078640894.db2.gz WSKNRYGUBJIHAS-LJQANCHMSA-N 1 0 421.586 0.381 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1)C[NH+]1CCCC1 ZINC000556349115 1078640239 /nfs/dbraw/zinc/64/02/39/1078640239.db2.gz YYACGOCIKRTJPB-CTNGQTDRSA-N 1 0 416.566 0.894 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1)C[NH+]1CCCC1 ZINC000556349118 1078640852 /nfs/dbraw/zinc/64/08/52/1078640852.db2.gz YYACGOCIKRTJPB-FPOVZHCZSA-N 1 0 416.566 0.894 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1)C[NH+]1CCCC1 ZINC000556349121 1078640889 /nfs/dbraw/zinc/64/08/89/1078640889.db2.gz YYACGOCIKRTJPB-PZJWPPBQSA-N 1 0 416.566 0.894 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1)C[NH+]1CCCC1 ZINC000556349123 1078640778 /nfs/dbraw/zinc/64/07/78/1078640778.db2.gz YYACGOCIKRTJPB-TZIWHRDSSA-N 1 0 416.566 0.894 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000556350892 1078642299 /nfs/dbraw/zinc/64/22/99/1078642299.db2.gz OOOXGONENUGZLL-KRWDZBQOSA-N 1 0 409.458 0.578 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000556350893 1078642484 /nfs/dbraw/zinc/64/24/84/1078642484.db2.gz OOOXGONENUGZLL-QGZVFWFLSA-N 1 0 409.458 0.578 20 0 HCADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC1 ZINC000556351390 1078648714 /nfs/dbraw/zinc/64/87/14/1078648714.db2.gz MGUCNGMFGSCKPL-UHFFFAOYSA-N 1 0 423.485 0.920 20 0 HCADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC1(C)C ZINC000556352268 1078641441 /nfs/dbraw/zinc/64/14/41/1078641441.db2.gz QHMZCYLPIHLWPR-UHFFFAOYSA-N 1 0 422.501 0.493 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCO[C@H](c2ccccc2F)C1)C[NH+]1CCN(C)CC1 ZINC000556353466 1078652120 /nfs/dbraw/zinc/65/21/20/1078652120.db2.gz AYPPCMSEWFAALV-APWZRJJASA-N 1 0 406.502 0.725 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCO[C@H](c2ccccc2F)C1)C[NH+]1CCN(C)CC1 ZINC000556353467 1078651976 /nfs/dbraw/zinc/65/19/76/1078651976.db2.gz AYPPCMSEWFAALV-LPHOPBHVSA-N 1 0 406.502 0.725 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2F)C1)C[NH+]1CCN(C)CC1 ZINC000556353468 1078652101 /nfs/dbraw/zinc/65/21/01/1078652101.db2.gz AYPPCMSEWFAALV-QFBILLFUSA-N 1 0 406.502 0.725 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2F)C1)C[NH+]1CCN(C)CC1 ZINC000556353469 1078651736 /nfs/dbraw/zinc/65/17/36/1078651736.db2.gz AYPPCMSEWFAALV-VQIMIIECSA-N 1 0 406.502 0.725 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)C[NH+]1CCCC1 ZINC000556353721 1078652000 /nfs/dbraw/zinc/65/20/00/1078652000.db2.gz CICZHFOARBSPRC-MSOLQXFVSA-N 1 0 421.586 0.426 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1)C[NH+]1CCCC1 ZINC000556353724 1078652089 /nfs/dbraw/zinc/65/20/89/1078652089.db2.gz CICZHFOARBSPRC-QZTJIDSGSA-N 1 0 421.586 0.426 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)C[NH+]1CCCC1 ZINC000556353727 1078651449 /nfs/dbraw/zinc/65/14/49/1078651449.db2.gz CICZHFOARBSPRC-ROUUACIJSA-N 1 0 421.586 0.426 20 0 HCADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000556353730 1078651389 /nfs/dbraw/zinc/65/13/89/1078651389.db2.gz CICZHFOARBSPRC-ZWKOTPCHSA-N 1 0 421.586 0.426 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1)C[NH+]1CCN(C)CC1 ZINC000556353738 1078651380 /nfs/dbraw/zinc/65/13/80/1078651380.db2.gz AEYMFYKNJDEMQQ-DLBZAZTESA-N 1 0 421.517 0.590 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1)C[NH+]1CCN(C)CC1 ZINC000556353741 1078651325 /nfs/dbraw/zinc/65/13/25/1078651325.db2.gz AEYMFYKNJDEMQQ-IAGOWNOFSA-N 1 0 421.517 0.590 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](Oc2ncccc2F)C1)C[NH+]1CCN(C)CC1 ZINC000556353743 1078651489 /nfs/dbraw/zinc/65/14/89/1078651489.db2.gz AEYMFYKNJDEMQQ-IRXDYDNUSA-N 1 0 421.517 0.590 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](Oc2ncccc2F)C1)C[NH+]1CCN(C)CC1 ZINC000556353745 1078652036 /nfs/dbraw/zinc/65/20/36/1078652036.db2.gz AEYMFYKNJDEMQQ-SJORKVTESA-N 1 0 421.517 0.590 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2ccc(NC(C)=O)nc2)CC1 ZINC000556353747 1078652061 /nfs/dbraw/zinc/65/20/61/1078652061.db2.gz AFNFAXDSDOSYII-HNNXBMFYSA-N 1 0 404.515 0.046 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCc2ccc(NC(C)=O)nc2)CC1 ZINC000556353751 1078651873 /nfs/dbraw/zinc/65/18/73/1078651873.db2.gz AFNFAXDSDOSYII-OAHLLOKOSA-N 1 0 404.515 0.046 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)C[NH+]1CCN(C)CC1 ZINC000556353822 1078652137 /nfs/dbraw/zinc/65/21/37/1078652137.db2.gz DCRXDTZFJOTVQS-BEFAXECRSA-N 1 0 424.492 0.864 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)C[NH+]1CCN(C)CC1 ZINC000556353823 1078651841 /nfs/dbraw/zinc/65/18/41/1078651841.db2.gz DCRXDTZFJOTVQS-DNVCBOLYSA-N 1 0 424.492 0.864 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)C[NH+]1CCN(C)CC1 ZINC000556353824 1078652012 /nfs/dbraw/zinc/65/20/12/1078652012.db2.gz DCRXDTZFJOTVQS-HNAYVOBHSA-N 1 0 424.492 0.864 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)C[NH+]1CCN(C)CC1 ZINC000556353827 1078651803 /nfs/dbraw/zinc/65/18/03/1078651803.db2.gz DCRXDTZFJOTVQS-KXBFYZLASA-N 1 0 424.492 0.864 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCC(Cc2cccnc2)CC1)C[NH+]1CCN(C)CC1 ZINC000556354205 1078650858 /nfs/dbraw/zinc/65/08/58/1078650858.db2.gz FBLWJGGWJBFCAC-GOSISDBHSA-N 1 0 401.555 0.862 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCC(Cc2cccnc2)CC1)C[NH+]1CCN(C)CC1 ZINC000556354209 1078651044 /nfs/dbraw/zinc/65/10/44/1078651044.db2.gz FBLWJGGWJBFCAC-SFHVURJKSA-N 1 0 401.555 0.862 20 0 HCADRO CC[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccn1 ZINC000556354270 1078651427 /nfs/dbraw/zinc/65/14/27/1078651427.db2.gz FMQDWSFIPWBXHS-DLBZAZTESA-N 1 0 405.543 0.875 20 0 HCADRO CC[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)ccn1 ZINC000556354272 1078651344 /nfs/dbraw/zinc/65/13/44/1078651344.db2.gz FMQDWSFIPWBXHS-IAGOWNOFSA-N 1 0 405.543 0.875 20 0 HCADRO CC[C@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccn1 ZINC000556354276 1078651368 /nfs/dbraw/zinc/65/13/68/1078651368.db2.gz FMQDWSFIPWBXHS-IRXDYDNUSA-N 1 0 405.543 0.875 20 0 HCADRO CC[C@H](C)Oc1cc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)ccn1 ZINC000556354279 1078651395 /nfs/dbraw/zinc/65/13/95/1078651395.db2.gz FMQDWSFIPWBXHS-SJORKVTESA-N 1 0 405.543 0.875 20 0 HCADRO CCn1nccc1C1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556354612 1078653156 /nfs/dbraw/zinc/65/31/56/1078653156.db2.gz JVYGJCNZZSPYJB-KRWDZBQOSA-N 1 0 404.559 0.609 20 0 HCADRO CCn1nccc1C1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556354617 1078653219 /nfs/dbraw/zinc/65/32/19/1078653219.db2.gz JVYGJCNZZSPYJB-QGZVFWFLSA-N 1 0 404.559 0.609 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1nc2ccccc2n1C1CC1)C[NH+]1CCN(C)CC1 ZINC000556354643 1078653197 /nfs/dbraw/zinc/65/31/97/1078653197.db2.gz KNBDOFSFRZDRLK-INIZCTEOSA-N 1 0 412.538 0.987 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1nc2ccccc2n1C1CC1)C[NH+]1CCN(C)CC1 ZINC000556354644 1078653132 /nfs/dbraw/zinc/65/31/32/1078653132.db2.gz KNBDOFSFRZDRLK-MRXNPFEDSA-N 1 0 412.538 0.987 20 0 HCADRO Cc1ccc(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)c1 ZINC000556354653 1078653072 /nfs/dbraw/zinc/65/30/72/1078653072.db2.gz KVXFZKGUVVJSST-IBGZPJMESA-N 1 0 415.582 0.952 20 0 HCADRO Cc1ccc(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)c1 ZINC000556354657 1078653169 /nfs/dbraw/zinc/65/31/69/1078653169.db2.gz KVXFZKGUVVJSST-LJQANCHMSA-N 1 0 415.582 0.952 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000556354658 1078653204 /nfs/dbraw/zinc/65/32/04/1078653204.db2.gz KYGMQFOTUUKNIH-AABGKKOBSA-N 1 0 423.602 0.136 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000556354659 1078653732 /nfs/dbraw/zinc/65/37/32/1078653732.db2.gz KYGMQFOTUUKNIH-AQNXPRMDSA-N 1 0 423.602 0.136 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000556354661 1078653704 /nfs/dbraw/zinc/65/37/04/1078653704.db2.gz KYGMQFOTUUKNIH-HSALFYBXSA-N 1 0 423.602 0.136 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000556354663 1078653658 /nfs/dbraw/zinc/65/36/58/1078653658.db2.gz KYGMQFOTUUKNIH-VAMGGRTRSA-N 1 0 423.602 0.136 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(OC(C)(C)C)nc1)C[NH+]1CCN(C)CC1 ZINC000556354812 1078653232 /nfs/dbraw/zinc/65/32/32/1078653232.db2.gz IRFVYHWXVWWPJP-INIZCTEOSA-N 1 0 405.543 0.875 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccc(OC(C)(C)C)nc1)C[NH+]1CCN(C)CC1 ZINC000556354814 1078653110 /nfs/dbraw/zinc/65/31/10/1078653110.db2.gz IRFVYHWXVWWPJP-MRXNPFEDSA-N 1 0 405.543 0.875 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556354901 1078652496 /nfs/dbraw/zinc/65/24/96/1078652496.db2.gz MTTZBGCUEYSPTL-GGPKGHCWSA-N 1 0 402.539 0.975 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000556354902 1078652441 /nfs/dbraw/zinc/65/24/41/1078652441.db2.gz MTTZBGCUEYSPTL-HBFSDRIKSA-N 1 0 402.539 0.975 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556354903 1078652544 /nfs/dbraw/zinc/65/25/44/1078652544.db2.gz MTTZBGCUEYSPTL-QWFCFKBJSA-N 1 0 402.539 0.975 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556354904 1078652555 /nfs/dbraw/zinc/65/25/55/1078652555.db2.gz MTTZBGCUEYSPTL-WSTZPKSXSA-N 1 0 402.539 0.975 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)Cc2nccn2C(F)F)CC1 ZINC000556354966 1078652455 /nfs/dbraw/zinc/65/24/55/1078652455.db2.gz OPMJGSWKNHAEDY-AWEZNQCLSA-N 1 0 400.474 0.626 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)Cc2nccn2C(F)F)CC1 ZINC000556354967 1078652533 /nfs/dbraw/zinc/65/25/33/1078652533.db2.gz OPMJGSWKNHAEDY-CQSZACIVSA-N 1 0 400.474 0.626 20 0 HCADRO Cc1ccnc(OC2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)c1 ZINC000556354970 1078652568 /nfs/dbraw/zinc/65/25/68/1078652568.db2.gz OULZCDZAYSMVKZ-GOSISDBHSA-N 1 0 417.554 0.760 20 0 HCADRO Cc1ccnc(OC2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)c1 ZINC000556354971 1078652485 /nfs/dbraw/zinc/65/24/85/1078652485.db2.gz OULZCDZAYSMVKZ-SFHVURJKSA-N 1 0 417.554 0.760 20 0 HCADRO Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000556355033 1078653241 /nfs/dbraw/zinc/65/32/41/1078653241.db2.gz KJLFWUOGRLDZKD-KRWDZBQOSA-N 1 0 412.538 0.797 20 0 HCADRO Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000556355035 1078653183 /nfs/dbraw/zinc/65/31/83/1078653183.db2.gz KJLFWUOGRLDZKD-QGZVFWFLSA-N 1 0 412.538 0.797 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1cn(C)nc1-c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556355225 1078652523 /nfs/dbraw/zinc/65/25/23/1078652523.db2.gz MNWKZSLTEMTFEP-KRWDZBQOSA-N 1 0 412.538 0.703 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1cn(C)nc1-c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556355243 1078652505 /nfs/dbraw/zinc/65/25/05/1078652505.db2.gz MNWKZSLTEMTFEP-QGZVFWFLSA-N 1 0 412.538 0.703 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000556355278 1078652434 /nfs/dbraw/zinc/65/24/34/1078652434.db2.gz QHPOADYUNWVUCW-HNNXBMFYSA-N 1 0 402.561 0.155 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000556355296 1078652426 /nfs/dbraw/zinc/65/24/26/1078652426.db2.gz QHPOADYUNWVUCW-OAHLLOKOSA-N 1 0 402.561 0.155 20 0 HCADRO COc1cc2c(cc1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)O[C@@H](C)C2 ZINC000556355453 1078644258 /nfs/dbraw/zinc/64/42/58/1078644258.db2.gz BRKPMBLPVDOEKL-HOTGVXAUSA-N 1 0 418.538 0.635 20 0 HCADRO COc1cc2c(cc1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)O[C@H](C)C2 ZINC000556355455 1078644154 /nfs/dbraw/zinc/64/41/54/1078644154.db2.gz BRKPMBLPVDOEKL-HZPDHXFCSA-N 1 0 418.538 0.635 20 0 HCADRO COc1cc2c(cc1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)O[C@H](C)C2 ZINC000556355458 1078644186 /nfs/dbraw/zinc/64/41/86/1078644186.db2.gz BRKPMBLPVDOEKL-JKSUJKDBSA-N 1 0 418.538 0.635 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1-c1cnn(C)c1)C[NH+]1CCN(C)CC1 ZINC000556355595 1078644400 /nfs/dbraw/zinc/64/44/00/1078644400.db2.gz SBBRQNKKZKQPMV-KRWDZBQOSA-N 1 0 412.538 0.703 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1-c1cnn(C)c1)C[NH+]1CCN(C)CC1 ZINC000556355596 1078644339 /nfs/dbraw/zinc/64/43/39/1078644339.db2.gz SBBRQNKKZKQPMV-QGZVFWFLSA-N 1 0 412.538 0.703 20 0 HCADRO CCOC1CC(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)(N2CCOCC2)C1 ZINC000556355757 1078643679 /nfs/dbraw/zinc/64/36/79/1078643679.db2.gz SCZNSPPUGULVTH-MPQSDHOMSA-N 1 0 410.559 0.221 20 0 HCADRO CCOC1CC(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)(N2CCOCC2)C1 ZINC000556355765 1078643695 /nfs/dbraw/zinc/64/36/95/1078643695.db2.gz SCZNSPPUGULVTH-XPQZIERPSA-N 1 0 410.559 0.221 20 0 HCADRO C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)N1CCc2sccc2C1 ZINC000556356029 1078643854 /nfs/dbraw/zinc/64/38/54/1078643854.db2.gz WLYDBHDYAXQRTH-DLBZAZTESA-N 1 0 421.611 0.611 20 0 HCADRO C[C@H](CNC(=O)C(=O)NC[C@@H](C)N1CCc2sccc2C1)C[NH+]1CCN(C)CC1 ZINC000556356030 1078643823 /nfs/dbraw/zinc/64/38/23/1078643823.db2.gz WLYDBHDYAXQRTH-IAGOWNOFSA-N 1 0 421.611 0.611 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NC[C@H](C)N1CCc2sccc2C1)C[NH+]1CCN(C)CC1 ZINC000556356031 1078643511 /nfs/dbraw/zinc/64/35/11/1078643511.db2.gz WLYDBHDYAXQRTH-IRXDYDNUSA-N 1 0 421.611 0.611 20 0 HCADRO C[C@H](CNC(=O)C(=O)NC[C@H](C)N1CCc2sccc2C1)C[NH+]1CCN(C)CC1 ZINC000556356032 1078643642 /nfs/dbraw/zinc/64/36/42/1078643642.db2.gz WLYDBHDYAXQRTH-SJORKVTESA-N 1 0 421.611 0.611 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCCCO2)C[NH+]1CCN(C)CC1 ZINC000556356200 1078654316 /nfs/dbraw/zinc/65/43/16/1078654316.db2.gz XWQDLIOIUIBWDR-INIZCTEOSA-N 1 0 404.511 0.464 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCCCO2)C[NH+]1CCN(C)CC1 ZINC000556356209 1078653793 /nfs/dbraw/zinc/65/37/93/1078653793.db2.gz XWQDLIOIUIBWDR-MRXNPFEDSA-N 1 0 404.511 0.464 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCc2cnc(C3CC3)nc2)CC1 ZINC000556356362 1078645067 /nfs/dbraw/zinc/64/50/67/1078645067.db2.gz KINKDICDIJIZOI-INIZCTEOSA-N 1 0 402.543 0.403 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCc2cnc(C3CC3)nc2)CC1 ZINC000556356364 1078644951 /nfs/dbraw/zinc/64/49/51/1078644951.db2.gz KINKDICDIJIZOI-MRXNPFEDSA-N 1 0 402.543 0.403 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1COc2ccccc2O1)C[NH+]1CCN(C)CC1 ZINC000556356449 1078645000 /nfs/dbraw/zinc/64/50/00/1078645000.db2.gz YHGKVXXHTQJXDU-DLBZAZTESA-N 1 0 404.511 0.285 20 0 HCADRO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1COc2ccccc2O1)C[NH+]1CCN(C)CC1 ZINC000556356450 1078644991 /nfs/dbraw/zinc/64/49/91/1078644991.db2.gz YHGKVXXHTQJXDU-IAGOWNOFSA-N 1 0 404.511 0.285 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1COc2ccccc2O1)C[NH+]1CCN(C)CC1 ZINC000556356451 1078645075 /nfs/dbraw/zinc/64/50/75/1078645075.db2.gz YHGKVXXHTQJXDU-IRXDYDNUSA-N 1 0 404.511 0.285 20 0 HCADRO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1COc2ccccc2O1)C[NH+]1CCN(C)CC1 ZINC000556356452 1078645107 /nfs/dbraw/zinc/64/51/07/1078645107.db2.gz YHGKVXXHTQJXDU-SJORKVTESA-N 1 0 404.511 0.285 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1)C[NH+]1CCCC1 ZINC000556356492 1078645449 /nfs/dbraw/zinc/64/54/49/1078645449.db2.gz ZMKHSPQDHNFXFQ-HNNXBMFYSA-N 1 0 407.490 0.522 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1)C[NH+]1CCCC1 ZINC000556356493 1078645546 /nfs/dbraw/zinc/64/55/46/1078645546.db2.gz ZMKHSPQDHNFXFQ-OAHLLOKOSA-N 1 0 407.490 0.522 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O)C[NH+]1CCCC1 ZINC000556356549 1078644377 /nfs/dbraw/zinc/64/43/77/1078644377.db2.gz LQYUMKHCMYYIRZ-AEFFLSMTSA-N 1 0 401.511 0.537 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)C[NH+]1CCCC1 ZINC000556356552 1078644216 /nfs/dbraw/zinc/64/42/16/1078644216.db2.gz LQYUMKHCMYYIRZ-FUHWJXTLSA-N 1 0 401.511 0.537 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)C[NH+]1CCCC1 ZINC000556356554 1078644360 /nfs/dbraw/zinc/64/43/60/1078644360.db2.gz LQYUMKHCMYYIRZ-SJLPKXTDSA-N 1 0 401.511 0.537 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O)C[NH+]1CCCC1 ZINC000556356556 1078644238 /nfs/dbraw/zinc/64/42/38/1078644238.db2.gz LQYUMKHCMYYIRZ-WMZOPIPTSA-N 1 0 401.511 0.537 20 0 HCADRO COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2)c1 ZINC000556356614 1078645116 /nfs/dbraw/zinc/64/51/16/1078645116.db2.gz MQQJQMYUOWZDHP-MSOLQXFVSA-N 1 0 417.554 0.390 20 0 HCADRO COc1cccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2)c1 ZINC000556356615 1078645036 /nfs/dbraw/zinc/64/50/36/1078645036.db2.gz MQQJQMYUOWZDHP-QZTJIDSGSA-N 1 0 417.554 0.390 20 0 HCADRO COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2)c1 ZINC000556356616 1078644962 /nfs/dbraw/zinc/64/49/62/1078644962.db2.gz MQQJQMYUOWZDHP-ROUUACIJSA-N 1 0 417.554 0.390 20 0 HCADRO COc1cccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2)c1 ZINC000556356617 1078645081 /nfs/dbraw/zinc/64/50/81/1078645081.db2.gz MQQJQMYUOWZDHP-ZWKOTPCHSA-N 1 0 417.554 0.390 20 0 HCADRO CCc1nsc(N2CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)n1 ZINC000556356701 1078645924 /nfs/dbraw/zinc/64/59/24/1078645924.db2.gz PPQJDZQDKVFOBE-HNNXBMFYSA-N 1 0 408.572 0.987 20 0 HCADRO CCc1nsc(N2CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)n1 ZINC000556356702 1078645982 /nfs/dbraw/zinc/64/59/82/1078645982.db2.gz PPQJDZQDKVFOBE-OAHLLOKOSA-N 1 0 408.572 0.987 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000556356781 1078645957 /nfs/dbraw/zinc/64/59/57/1078645957.db2.gz RZPHUAGBHZYQAY-AZUAARDMSA-N 1 0 402.539 0.976 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCO[C@H](c3ccccc3)C2)CC1 ZINC000556356782 1078645993 /nfs/dbraw/zinc/64/59/93/1078645993.db2.gz RZPHUAGBHZYQAY-ICSRJNTNSA-N 1 0 402.539 0.976 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCO[C@H](c3ccccc3)C2)CC1 ZINC000556356783 1078646203 /nfs/dbraw/zinc/64/62/03/1078646203.db2.gz RZPHUAGBHZYQAY-QUCCMNQESA-N 1 0 402.539 0.976 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000556356784 1078646242 /nfs/dbraw/zinc/64/62/42/1078646242.db2.gz RZPHUAGBHZYQAY-UYAOXDASSA-N 1 0 402.539 0.976 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@@H](C)c2ccsc2)CC1)C[NH+]1CCN(C)CC1 ZINC000556357044 1078645593 /nfs/dbraw/zinc/64/55/93/1078645593.db2.gz YSDQHLRSSZZLPQ-MSOLQXFVSA-N 1 0 421.611 0.953 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@H](C)c2ccsc2)CC1)C[NH+]1CCN(C)CC1 ZINC000556357045 1078645516 /nfs/dbraw/zinc/64/55/16/1078645516.db2.gz YSDQHLRSSZZLPQ-QZTJIDSGSA-N 1 0 421.611 0.953 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H](C)c2ccsc2)CC1)C[NH+]1CCN(C)CC1 ZINC000556357046 1078645472 /nfs/dbraw/zinc/64/54/72/1078645472.db2.gz YSDQHLRSSZZLPQ-ROUUACIJSA-N 1 0 421.611 0.953 20 0 HCADRO C[C@H](c1ccsc1)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556357047 1078645533 /nfs/dbraw/zinc/64/55/33/1078645533.db2.gz YSDQHLRSSZZLPQ-ZWKOTPCHSA-N 1 0 421.611 0.953 20 0 HCADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000556358127 1078645907 /nfs/dbraw/zinc/64/59/07/1078645907.db2.gz ZFICDQDYLALIFW-UHFFFAOYSA-N 1 0 419.569 0.518 20 0 HCADRO 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C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000556364711 1078666663 /nfs/dbraw/zinc/66/66/63/1078666663.db2.gz IZCUYJQRLGVRRK-INIZCTEOSA-N 1 0 404.515 0.131 20 0 HCADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000556364712 1078666747 /nfs/dbraw/zinc/66/67/47/1078666747.db2.gz IZCUYJQRLGVRRK-MRXNPFEDSA-N 1 0 404.515 0.131 20 0 HCADRO CN(C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000556364723 1078666666 /nfs/dbraw/zinc/66/66/66/1078666666.db2.gz GDEKABWBUGMPTJ-KRWDZBQOSA-N 1 0 424.567 0.988 20 0 HCADRO CN(C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000556364725 1078666553 /nfs/dbraw/zinc/66/65/53/1078666553.db2.gz GDEKABWBUGMPTJ-QGZVFWFLSA-N 1 0 424.567 0.988 20 0 HCADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000556364823 1078666092 /nfs/dbraw/zinc/66/60/92/1078666092.db2.gz KSBOSLCIMVVRDS-MSOLQXFVSA-N 1 0 400.527 0.752 20 0 HCADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000556364825 1078666175 /nfs/dbraw/zinc/66/61/75/1078666175.db2.gz KSBOSLCIMVVRDS-QZTJIDSGSA-N 1 0 400.527 0.752 20 0 HCADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000556364827 1078666074 /nfs/dbraw/zinc/66/60/74/1078666074.db2.gz KSBOSLCIMVVRDS-ROUUACIJSA-N 1 0 400.527 0.752 20 0 HCADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000556364829 1078666084 /nfs/dbraw/zinc/66/60/84/1078666084.db2.gz KSBOSLCIMVVRDS-ZWKOTPCHSA-N 1 0 400.527 0.752 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1)Cc1ccc(F)cc1 ZINC000556365561 1078654976 /nfs/dbraw/zinc/65/49/76/1078654976.db2.gz YPKZUOYYXMJELY-GOSISDBHSA-N 1 0 414.485 0.949 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1)Cc1ccc(F)cc1 ZINC000556365565 1078654863 /nfs/dbraw/zinc/65/48/63/1078654863.db2.gz YPKZUOYYXMJELY-SFHVURJKSA-N 1 0 414.485 0.949 20 0 HCADRO CC(C)OCCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000556365686 1078655652 /nfs/dbraw/zinc/65/56/52/1078655652.db2.gz YWGNKWOCZKPCKF-MOPGFXCFSA-N 1 0 422.570 0.899 20 0 HCADRO CC(C)OCCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000556365687 1078655570 /nfs/dbraw/zinc/65/55/70/1078655570.db2.gz YWGNKWOCZKPCKF-OALUTQOASA-N 1 0 422.570 0.899 20 0 HCADRO CC(C)OCCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000556365688 1078655609 /nfs/dbraw/zinc/65/56/09/1078655609.db2.gz YWGNKWOCZKPCKF-RBUKOAKNSA-N 1 0 422.570 0.899 20 0 HCADRO CC(C)OCCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000556365689 1078655553 /nfs/dbraw/zinc/65/55/53/1078655553.db2.gz YWGNKWOCZKPCKF-RTBURBONSA-N 1 0 422.570 0.899 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000556367011 1078656292 /nfs/dbraw/zinc/65/62/92/1078656292.db2.gz ZFFCZIPXSHXIEM-DLBZAZTESA-N 1 0 404.515 0.131 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000556367012 1078656368 /nfs/dbraw/zinc/65/63/68/1078656368.db2.gz ZFFCZIPXSHXIEM-IAGOWNOFSA-N 1 0 404.515 0.131 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000556367013 1078656526 /nfs/dbraw/zinc/65/65/26/1078656526.db2.gz ZFFCZIPXSHXIEM-IRXDYDNUSA-N 1 0 404.515 0.131 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000556367014 1078656496 /nfs/dbraw/zinc/65/64/96/1078656496.db2.gz ZFFCZIPXSHXIEM-SJORKVTESA-N 1 0 404.515 0.131 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1)C[NH+]1CCCC1 ZINC000556367716 1078677275 /nfs/dbraw/zinc/67/72/75/1078677275.db2.gz DYZFDMXVRISTLG-KRWDZBQOSA-N 1 0 418.513 0.887 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1)C[NH+]1CCCC1 ZINC000556367717 1078677120 /nfs/dbraw/zinc/67/71/20/1078677120.db2.gz DYZFDMXVRISTLG-QGZVFWFLSA-N 1 0 418.513 0.887 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)s1 ZINC000556367906 1078676045 /nfs/dbraw/zinc/67/60/45/1078676045.db2.gz HGCUTSZVZRTVON-CYBMUJFWSA-N 1 0 416.569 0.299 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)s1 ZINC000556367907 1078676674 /nfs/dbraw/zinc/67/66/74/1078676674.db2.gz HGCUTSZVZRTVON-ZDUSSCGKSA-N 1 0 416.569 0.299 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)Cn1cccn1 ZINC000556368002 1078676703 /nfs/dbraw/zinc/67/67/03/1078676703.db2.gz AIHRALKJHKACLG-GOSISDBHSA-N 1 0 404.559 0.512 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)Cn1cccn1 ZINC000556368004 1078676770 /nfs/dbraw/zinc/67/67/70/1078676770.db2.gz AIHRALKJHKACLG-SFHVURJKSA-N 1 0 404.559 0.512 20 0 HCADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556368347 1078668372 /nfs/dbraw/zinc/66/83/72/1078668372.db2.gz BQKKYGRPMUOKRD-MOPGFXCFSA-N 1 0 401.555 0.629 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556368348 1078668480 /nfs/dbraw/zinc/66/84/80/1078668480.db2.gz BQKKYGRPMUOKRD-OALUTQOASA-N 1 0 401.555 0.629 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN(c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556368349 1078668395 /nfs/dbraw/zinc/66/83/95/1078668395.db2.gz BQKKYGRPMUOKRD-RBUKOAKNSA-N 1 0 401.555 0.629 20 0 HCADRO C[C@H](CNC(=O)C(=O)NC[C@H]1CCN(c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556368350 1078668928 /nfs/dbraw/zinc/66/89/28/1078668928.db2.gz BQKKYGRPMUOKRD-RTBURBONSA-N 1 0 401.555 0.629 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1Cn1cccn1)C[NH+]1CCN(C)CC1 ZINC000556368552 1078668348 /nfs/dbraw/zinc/66/83/48/1078668348.db2.gz DOSUCEWOFORPLN-GOSISDBHSA-N 1 0 412.538 0.547 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1Cn1cccn1)C[NH+]1CCN(C)CC1 ZINC000556368553 1078668444 /nfs/dbraw/zinc/66/84/44/1078668444.db2.gz DOSUCEWOFORPLN-SFHVURJKSA-N 1 0 412.538 0.547 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC000556368816 1078667833 /nfs/dbraw/zinc/66/78/33/1078667833.db2.gz FENFUTODBPCDKN-GOSISDBHSA-N 1 0 409.575 0.093 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC000556368821 1078667782 /nfs/dbraw/zinc/66/77/82/1078667782.db2.gz FENFUTODBPCDKN-SFHVURJKSA-N 1 0 409.575 0.093 20 0 HCADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000556368857 1078668391 /nfs/dbraw/zinc/66/83/91/1078668391.db2.gz GAZAPEDSJISKFC-CABCVRRESA-N 1 0 410.540 0.620 20 0 HCADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000556368858 1078668429 /nfs/dbraw/zinc/66/84/29/1078668429.db2.gz GAZAPEDSJISKFC-GJZGRUSLSA-N 1 0 410.540 0.620 20 0 HCADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000556368859 1078668368 /nfs/dbraw/zinc/66/83/68/1078668368.db2.gz GAZAPEDSJISKFC-HUUCEWRRSA-N 1 0 410.540 0.620 20 0 HCADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000556368860 1078668433 /nfs/dbraw/zinc/66/84/33/1078668433.db2.gz GAZAPEDSJISKFC-LSDHHAIUSA-N 1 0 410.540 0.620 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CC1 ZINC000556368948 1078667800 /nfs/dbraw/zinc/66/78/00/1078667800.db2.gz FWFVSNKUCSNXGZ-HNNXBMFYSA-N 1 0 407.481 0.083 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CC1 ZINC000556368950 1078667893 /nfs/dbraw/zinc/66/78/93/1078667893.db2.gz FWFVSNKUCSNXGZ-OAHLLOKOSA-N 1 0 407.481 0.083 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000556368984 1078667761 /nfs/dbraw/zinc/66/77/61/1078667761.db2.gz GUCSXZDBFKHTFV-CVEARBPZSA-N 1 0 422.492 0.946 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000556368985 1078667828 /nfs/dbraw/zinc/66/78/28/1078667828.db2.gz GUCSXZDBFKHTFV-HOTGVXAUSA-N 1 0 422.492 0.946 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000556368986 1078667905 /nfs/dbraw/zinc/66/79/05/1078667905.db2.gz GUCSXZDBFKHTFV-HZPDHXFCSA-N 1 0 422.492 0.946 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000556368987 1078667793 /nfs/dbraw/zinc/66/77/93/1078667793.db2.gz GUCSXZDBFKHTFV-JKSUJKDBSA-N 1 0 422.492 0.946 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC000556369413 1078670728 /nfs/dbraw/zinc/67/07/28/1078670728.db2.gz IPTDMTCFLDQWOD-KRWDZBQOSA-N 1 0 404.559 0.948 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC000556369414 1078670696 /nfs/dbraw/zinc/67/06/96/1078670696.db2.gz IPTDMTCFLDQWOD-QGZVFWFLSA-N 1 0 404.559 0.948 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000556369453 1078670794 /nfs/dbraw/zinc/67/07/94/1078670794.db2.gz JKXUKEMQKXRSRN-GOSISDBHSA-N 1 0 421.611 0.782 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000556369454 1078670768 /nfs/dbraw/zinc/67/07/68/1078670768.db2.gz JKXUKEMQKXRSRN-SFHVURJKSA-N 1 0 421.611 0.782 20 0 HCADRO CC(=O)N1CCc2ccc(S(=O)(=O)N(C)CCCN3CC[NH+](C)CC3)cc2CC1 ZINC000556369497 1078669976 /nfs/dbraw/zinc/66/99/76/1078669976.db2.gz SCNSUDOGOQMBSG-UHFFFAOYSA-N 1 0 422.595 0.892 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H](c1nccn1C)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556369568 1078670274 /nfs/dbraw/zinc/67/02/74/1078670274.db2.gz TWWKBPRBEYUAPL-HKUYNNGSSA-N 1 0 412.538 0.625 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H](c1nccn1C)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556369570 1078670131 /nfs/dbraw/zinc/67/01/31/1078670131.db2.gz TWWKBPRBEYUAPL-IEBWSBKVSA-N 1 0 412.538 0.625 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H](c1nccn1C)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556369572 1078670191 /nfs/dbraw/zinc/67/01/91/1078670191.db2.gz TWWKBPRBEYUAPL-MJGOQNOKSA-N 1 0 412.538 0.625 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H](c1nccn1C)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556369573 1078670052 /nfs/dbraw/zinc/67/00/52/1078670052.db2.gz TWWKBPRBEYUAPL-PKOBYXMFSA-N 1 0 412.538 0.625 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000556370154 1078668881 /nfs/dbraw/zinc/66/88/81/1078668881.db2.gz LPTFUOXYHVHCPH-DLBZAZTESA-N 1 0 419.574 0.742 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000556370166 1078669618 /nfs/dbraw/zinc/66/96/18/1078669618.db2.gz LPTFUOXYHVHCPH-IAGOWNOFSA-N 1 0 419.574 0.742 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000556370167 1078669497 /nfs/dbraw/zinc/66/94/97/1078669497.db2.gz LPTFUOXYHVHCPH-IRXDYDNUSA-N 1 0 419.574 0.742 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000556370169 1078669448 /nfs/dbraw/zinc/66/94/48/1078669448.db2.gz LPTFUOXYHVHCPH-SJORKVTESA-N 1 0 419.574 0.742 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1)C[NH+]1CCCC1 ZINC000556370197 1078669522 /nfs/dbraw/zinc/66/95/22/1078669522.db2.gz LXMMTGPOTWFNMH-HNNXBMFYSA-N 1 0 412.485 0.771 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1)C[NH+]1CCCC1 ZINC000556370199 1078669425 /nfs/dbraw/zinc/66/94/25/1078669425.db2.gz LXMMTGPOTWFNMH-OAHLLOKOSA-N 1 0 412.485 0.771 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1)C[NH+]1CCN(C)CC1 ZINC000556370434 1078671945 /nfs/dbraw/zinc/67/19/45/1078671945.db2.gz MENOISFTTVRFTL-IBGZPJMESA-N 1 0 423.602 0.137 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1)C[NH+]1CCN(C)CC1 ZINC000556370437 1078671888 /nfs/dbraw/zinc/67/18/88/1078671888.db2.gz MENOISFTTVRFTL-LJQANCHMSA-N 1 0 423.602 0.137 20 0 HCADRO CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)c1c(C)nn(C)c1C ZINC000556370496 1078671900 /nfs/dbraw/zinc/67/19/00/1078671900.db2.gz ZXJJRFMVPMOBDU-CRAIPNDOSA-N 1 0 406.575 0.994 20 0 HCADRO CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)c1c(C)nn(C)c1C ZINC000556370503 1078671809 /nfs/dbraw/zinc/67/18/09/1078671809.db2.gz ZXJJRFMVPMOBDU-MAUKXSAKSA-N 1 0 406.575 0.994 20 0 HCADRO CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)c1c(C)nn(C)c1C ZINC000556370506 1078671937 /nfs/dbraw/zinc/67/19/37/1078671937.db2.gz ZXJJRFMVPMOBDU-QAPCUYQASA-N 1 0 406.575 0.994 20 0 HCADRO CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)c1c(C)nn(C)c1C ZINC000556370508 1078672436 /nfs/dbraw/zinc/67/24/36/1078672436.db2.gz ZXJJRFMVPMOBDU-YJBOKZPZSA-N 1 0 406.575 0.994 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N(CCCO)[C@@H]1CCc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000556370843 1078671290 /nfs/dbraw/zinc/67/12/90/1078671290.db2.gz ODJDCYJNJZEGBK-GHTZIAJQSA-N 1 0 416.566 0.885 20 0 HCADRO C[C@H](CNC(=O)C(=O)N(CCCO)[C@H]1CCc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000556370852 1078671498 /nfs/dbraw/zinc/67/14/98/1078671498.db2.gz ODJDCYJNJZEGBK-NQIIRXRSSA-N 1 0 416.566 0.885 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N(CCCO)[C@H]1CCc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000556370854 1078671425 /nfs/dbraw/zinc/67/14/25/1078671425.db2.gz ODJDCYJNJZEGBK-RXVVDRJESA-N 1 0 416.566 0.885 20 0 HCADRO C[C@H](CNC(=O)C(=O)N(CCCO)[C@@H]1CCc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000556370855 1078671480 /nfs/dbraw/zinc/67/14/80/1078671480.db2.gz ODJDCYJNJZEGBK-WIYYLYMNSA-N 1 0 416.566 0.885 20 0 HCADRO C[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1)C[NH+]1CCN(C)CC1 ZINC000556370950 1078671849 /nfs/dbraw/zinc/67/18/49/1078671849.db2.gz RLXTZYHHFCAVCQ-MVJQZIEYSA-N 1 0 422.595 0.943 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCOCC3(CCOCC3)C2)CC1 ZINC000556370953 1078671411 /nfs/dbraw/zinc/67/14/11/1078671411.db2.gz OTVRGPYNMILCTA-GOSISDBHSA-N 1 0 410.559 0.032 20 0 HCADRO C[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1)C[NH+]1CCN(C)CC1 ZINC000556370957 1078671323 /nfs/dbraw/zinc/67/13/23/1078671323.db2.gz RLXTZYHHFCAVCQ-RIYSCVPDSA-N 1 0 422.595 0.943 20 0 HCADRO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1)C[NH+]1CCN(C)CC1 ZINC000556370962 1078671360 /nfs/dbraw/zinc/67/13/60/1078671360.db2.gz RLXTZYHHFCAVCQ-WWTSWKCXSA-N 1 0 422.595 0.943 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCOCC3(CCOCC3)C2)CC1 ZINC000556370963 1078671444 /nfs/dbraw/zinc/67/14/44/1078671444.db2.gz OTVRGPYNMILCTA-SFHVURJKSA-N 1 0 410.559 0.032 20 0 HCADRO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1)C[NH+]1CCN(C)CC1 ZINC000556370966 1078671390 /nfs/dbraw/zinc/67/13/90/1078671390.db2.gz RLXTZYHHFCAVCQ-ZYWUZIHQSA-N 1 0 422.595 0.943 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2cnn(CC(F)(F)F)c2)CC1 ZINC000556371436 1078673499 /nfs/dbraw/zinc/67/34/99/1078673499.db2.gz RLUHZLIDNLQTRA-AWEZNQCLSA-N 1 0 418.464 0.451 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCc2cnn(CC(F)(F)F)c2)CC1 ZINC000556371439 1078673555 /nfs/dbraw/zinc/67/35/55/1078673555.db2.gz RLUHZLIDNLQTRA-CQSZACIVSA-N 1 0 418.464 0.451 20 0 HCADRO Cc1cccc(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)c1C ZINC000556371460 1078674159 /nfs/dbraw/zinc/67/41/59/1078674159.db2.gz RQRFALHBISXKKZ-GOSISDBHSA-N 1 0 415.582 0.952 20 0 HCADRO Cc1cccc(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)c1C ZINC000556371464 1078674168 /nfs/dbraw/zinc/67/41/68/1078674168.db2.gz RQRFALHBISXKKZ-SFHVURJKSA-N 1 0 415.582 0.952 20 0 HCADRO Cc1csc(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)n1 ZINC000556371485 1078674105 /nfs/dbraw/zinc/67/41/05/1078674105.db2.gz ULDYQPWEJVWHJQ-HNNXBMFYSA-N 1 0 408.572 0.100 20 0 HCADRO Cc1csc(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)n1 ZINC000556371489 1078674143 /nfs/dbraw/zinc/67/41/43/1078674143.db2.gz ULDYQPWEJVWHJQ-OAHLLOKOSA-N 1 0 408.572 0.100 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(c3nc(C)cs3)CC2)CC1 ZINC000556371880 1078673609 /nfs/dbraw/zinc/67/36/09/1078673609.db2.gz VXNNLJYQXTVGOR-INIZCTEOSA-N 1 0 422.599 0.490 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(c3nc(C)cs3)CC2)CC1 ZINC000556371883 1078673638 /nfs/dbraw/zinc/67/36/38/1078673638.db2.gz VXNNLJYQXTVGOR-MRXNPFEDSA-N 1 0 422.599 0.490 20 0 HCADRO Cc1nc(CN2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)cs1 ZINC000556372266 1078673009 /nfs/dbraw/zinc/67/30/09/1078673009.db2.gz XTHHYWZSLCBVMU-INIZCTEOSA-N 1 0 422.599 0.095 20 0 HCADRO Cc1nc(CN2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)cs1 ZINC000556372269 1078672463 /nfs/dbraw/zinc/67/24/63/1078672463.db2.gz XTHHYWZSLCBVMU-MRXNPFEDSA-N 1 0 422.599 0.095 20 0 HCADRO COc1cccc(O[C@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000556372282 1078672330 /nfs/dbraw/zinc/67/23/30/1078672330.db2.gz VMGLVHDYFLQJJZ-DLBZAZTESA-N 1 0 406.527 0.578 20 0 HCADRO COc1cccc(O[C@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000556372285 1078672375 /nfs/dbraw/zinc/67/23/75/1078672375.db2.gz VMGLVHDYFLQJJZ-IAGOWNOFSA-N 1 0 406.527 0.578 20 0 HCADRO COc1cccc(O[C@@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000556372286 1078672424 /nfs/dbraw/zinc/67/24/24/1078672424.db2.gz VMGLVHDYFLQJJZ-IRXDYDNUSA-N 1 0 406.527 0.578 20 0 HCADRO COc1cccc(O[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000556372287 1078672478 /nfs/dbraw/zinc/67/24/78/1078672478.db2.gz VMGLVHDYFLQJJZ-SJORKVTESA-N 1 0 406.527 0.578 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556372312 1078672408 /nfs/dbraw/zinc/67/24/08/1078672408.db2.gz VVABBUMMUWROCS-CABCVRRESA-N 1 0 407.481 0.129 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556372317 1078674783 /nfs/dbraw/zinc/67/47/83/1078674783.db2.gz VVABBUMMUWROCS-GJZGRUSLSA-N 1 0 407.481 0.129 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556372320 1078674716 /nfs/dbraw/zinc/67/47/16/1078674716.db2.gz VVABBUMMUWROCS-HUUCEWRRSA-N 1 0 407.481 0.129 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556372321 1078674923 /nfs/dbraw/zinc/67/49/23/1078674923.db2.gz VVABBUMMUWROCS-LSDHHAIUSA-N 1 0 407.481 0.129 20 0 HCADRO CCCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556372467 1078676102 /nfs/dbraw/zinc/67/61/02/1078676102.db2.gz WQYTUZATXMGNBC-GOSISDBHSA-N 1 0 423.602 0.531 20 0 HCADRO CCCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556372471 1078676000 /nfs/dbraw/zinc/67/60/00/1078676000.db2.gz WQYTUZATXMGNBC-SFHVURJKSA-N 1 0 423.602 0.531 20 0 HCADRO CCOC(=O)C1CCC(N(CC)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556372706 1078675525 /nfs/dbraw/zinc/67/55/25/1078675525.db2.gz XDSJVROZRYXYEF-LMDPOFIKSA-N 1 0 424.586 0.957 20 0 HCADRO CCOC(=O)C1CCC(N(CC)C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556372707 1078675289 /nfs/dbraw/zinc/67/52/89/1078675289.db2.gz XDSJVROZRYXYEF-VIQWUECVSA-N 1 0 424.586 0.957 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000556372739 1078675468 /nfs/dbraw/zinc/67/54/68/1078675468.db2.gz XSSTWHXIXIPTOW-AZUAARDMSA-N 1 0 424.586 0.563 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000556372740 1078675555 /nfs/dbraw/zinc/67/55/55/1078675555.db2.gz XSSTWHXIXIPTOW-ICSRJNTNSA-N 1 0 424.586 0.563 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000556372741 1078675415 /nfs/dbraw/zinc/67/54/15/1078675415.db2.gz XSSTWHXIXIPTOW-QUCCMNQESA-N 1 0 424.586 0.563 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000556372742 1078675313 /nfs/dbraw/zinc/67/53/13/1078675313.db2.gz XSSTWHXIXIPTOW-UYAOXDASSA-N 1 0 424.586 0.563 20 0 HCADRO CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000556372752 1078675399 /nfs/dbraw/zinc/67/53/99/1078675399.db2.gz XZNAWSQGYKOVRQ-CVEARBPZSA-N 1 0 403.527 0.822 20 0 HCADRO CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000556372753 1078675595 /nfs/dbraw/zinc/67/55/95/1078675595.db2.gz XZNAWSQGYKOVRQ-HOTGVXAUSA-N 1 0 403.527 0.822 20 0 HCADRO CC(=O)Nc1cccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000556372754 1078675983 /nfs/dbraw/zinc/67/59/83/1078675983.db2.gz XZNAWSQGYKOVRQ-HZPDHXFCSA-N 1 0 403.527 0.822 20 0 HCADRO CC(=O)Nc1cccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000556372755 1078676035 /nfs/dbraw/zinc/67/60/35/1078676035.db2.gz XZNAWSQGYKOVRQ-JKSUJKDBSA-N 1 0 403.527 0.822 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000556372910 1078675441 /nfs/dbraw/zinc/67/54/41/1078675441.db2.gz ZHQSFDIXDYYUFF-KRWDZBQOSA-N 1 0 418.538 0.806 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000556372911 1078675337 /nfs/dbraw/zinc/67/53/37/1078675337.db2.gz ZHQSFDIXDYYUFF-QGZVFWFLSA-N 1 0 418.538 0.806 20 0 HCADRO CN(C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000556375362 1078687449 /nfs/dbraw/zinc/68/74/49/1078687449.db2.gz FWPWVBKBAIJAMQ-KRWDZBQOSA-N 1 0 414.572 0.539 20 0 HCADRO CN(C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000556375567 1078687484 /nfs/dbraw/zinc/68/74/84/1078687484.db2.gz FWPWVBKBAIJAMQ-QGZVFWFLSA-N 1 0 414.572 0.539 20 0 HCADRO CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@H](C)CN3CC[NH+](C)CC3)cc2CC1 ZINC000556375730 1078686821 /nfs/dbraw/zinc/68/68/21/1078686821.db2.gz UBVVRORBUVEGRF-KRWDZBQOSA-N 1 0 422.595 0.796 20 0 HCADRO CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)cc2CC1 ZINC000556375740 1078686887 /nfs/dbraw/zinc/68/68/87/1078686887.db2.gz UBVVRORBUVEGRF-QGZVFWFLSA-N 1 0 422.595 0.796 20 0 HCADRO Cn1c2ccccc2cc(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1=O ZINC000556380958 1078680519 /nfs/dbraw/zinc/68/05/19/1078680519.db2.gz JCHKONYYNPBCOM-UHFFFAOYSA-N 1 0 402.414 1.374 20 0 HCADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000556385913 1078692239 /nfs/dbraw/zinc/69/22/39/1078692239.db2.gz BWWJKGOSBPYLQX-UHFFFAOYSA-N 1 0 417.491 1.023 20 0 HCADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CC[C@H](CS(C)(=O)=O)C3)cccc21 ZINC000556388557 1078696336 /nfs/dbraw/zinc/69/63/36/1078696336.db2.gz TWXRUEQJABZRJQ-BBRMVZONSA-N 1 0 409.508 0.903 20 0 HCADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CC[C@@H](CS(C)(=O)=O)C3)cccc21 ZINC000556388563 1078696416 /nfs/dbraw/zinc/69/64/16/1078696416.db2.gz TWXRUEQJABZRJQ-CJNGLKHVSA-N 1 0 409.508 0.903 20 0 HCADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CC[C@@H](CS(C)(=O)=O)C3)cccc21 ZINC000556388565 1078696356 /nfs/dbraw/zinc/69/63/56/1078696356.db2.gz TWXRUEQJABZRJQ-CZUORRHYSA-N 1 0 409.508 0.903 20 0 HCADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CC[C@H](CS(C)(=O)=O)C3)cccc21 ZINC000556388567 1078696400 /nfs/dbraw/zinc/69/64/00/1078696400.db2.gz TWXRUEQJABZRJQ-XJKSGUPXSA-N 1 0 409.508 0.903 20 0 HCADRO CN(C)S(=O)(=O)c1cccc2c1CCN(S(=O)(=O)CC[NH+]1CCCC1)C2 ZINC000556391813 1078703059 /nfs/dbraw/zinc/70/30/59/1078703059.db2.gz DQEBABSAHNWMJO-UHFFFAOYSA-N 1 0 401.554 0.721 20 0 HCADRO CN(C)c1nc(CN(C)[C@H]2CCN(S(=O)(=O)CC[NH+]3CCCC3)C2)cc(=O)[nH]1 ZINC000556391838 1078702358 /nfs/dbraw/zinc/70/23/58/1078702358.db2.gz GOKASUZJPUOVRY-INIZCTEOSA-N 1 0 412.560 0.180 20 0 HCADRO CN(C)c1nc(CN(C)[C@@H]2CCN(S(=O)(=O)CC[NH+]3CCCC3)C2)cc(=O)[nH]1 ZINC000556391847 1078702501 /nfs/dbraw/zinc/70/25/01/1078702501.db2.gz GOKASUZJPUOVRY-MRXNPFEDSA-N 1 0 412.560 0.180 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000556393735 1078704811 /nfs/dbraw/zinc/70/48/11/1078704811.db2.gz FSIZUUNNYSQMEZ-HKUYNNGSSA-N 1 0 401.511 0.834 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000556393736 1078704871 /nfs/dbraw/zinc/70/48/71/1078704871.db2.gz FSIZUUNNYSQMEZ-IEBWSBKVSA-N 1 0 401.511 0.834 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000556393737 1078704999 /nfs/dbraw/zinc/70/49/99/1078704999.db2.gz FSIZUUNNYSQMEZ-MJGOQNOKSA-N 1 0 401.511 0.834 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000556393738 1078704856 /nfs/dbraw/zinc/70/48/56/1078704856.db2.gz FSIZUUNNYSQMEZ-PKOBYXMFSA-N 1 0 401.511 0.834 20 0 HCADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCCOCC[NH+](C)C ZINC000556397834 1078708730 /nfs/dbraw/zinc/70/87/30/1078708730.db2.gz GGOFXYRGVHJLKJ-UHFFFAOYSA-N 1 0 407.920 0.907 20 0 HCADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCCN3CCCS3(=O)=O)cc2)CC1 ZINC000556400962 1078710724 /nfs/dbraw/zinc/71/07/24/1078710724.db2.gz NHZUPCGOGRESLK-UHFFFAOYSA-N 1 0 410.540 0.994 20 0 HCADRO COC(=O)CC1(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CCOCC1 ZINC000556406864 1078714578 /nfs/dbraw/zinc/71/45/78/1078714578.db2.gz NRZSFDSKRCNRLC-UHFFFAOYSA-N 1 0 416.544 0.700 20 0 HCADRO CNS(=O)(=O)c1cccc2c1CCN([C@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000556409673 1078717559 /nfs/dbraw/zinc/71/75/59/1078717559.db2.gz AZDWDIYCWZOMGB-INIZCTEOSA-N 1 0 408.524 0.032 20 0 HCADRO CNS(=O)(=O)c1cccc2c1CCN([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000556409674 1078717521 /nfs/dbraw/zinc/71/75/21/1078717521.db2.gz AZDWDIYCWZOMGB-MRXNPFEDSA-N 1 0 408.524 0.032 20 0 HCADRO CN(C)C(=O)N1CCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000556415133 1078721081 /nfs/dbraw/zinc/72/10/81/1078721081.db2.gz CHBNWSAKVLTVNQ-IBGZPJMESA-N 1 0 402.543 0.984 20 0 HCADRO CN(C)C(=O)N1CCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000556415136 1078721122 /nfs/dbraw/zinc/72/11/22/1078721122.db2.gz CHBNWSAKVLTVNQ-LJQANCHMSA-N 1 0 402.543 0.984 20 0 HCADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CC[NH+]2CCC1CC2 ZINC000556418291 1078731770 /nfs/dbraw/zinc/73/17/70/1078731770.db2.gz PCMRGEXFNFQMLL-UHFFFAOYSA-N 1 0 422.555 0.023 20 0 HCADRO Cn1nccc1[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC(=O)N1C ZINC000556420576 1078725734 /nfs/dbraw/zinc/72/57/34/1078725734.db2.gz AXNUIZSKRVQBHC-RBDMOPTHSA-N 1 0 411.506 0.693 20 0 HCADRO Cn1nccc1[C@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC(=O)N1C ZINC000556420577 1078725658 /nfs/dbraw/zinc/72/56/58/1078725658.db2.gz AXNUIZSKRVQBHC-UCNVEGJOSA-N 1 0 411.506 0.693 20 0 HCADRO Cn1nccc1[C@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC(=O)N1C ZINC000556420578 1078725691 /nfs/dbraw/zinc/72/56/91/1078725691.db2.gz AXNUIZSKRVQBHC-WEYGHZABSA-N 1 0 411.506 0.693 20 0 HCADRO Cn1nccc1[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC(=O)N1C ZINC000556420579 1078725627 /nfs/dbraw/zinc/72/56/27/1078725627.db2.gz AXNUIZSKRVQBHC-XJABCFGWSA-N 1 0 411.506 0.693 20 0 HCADRO COC(=O)c1cn(CCNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nn1 ZINC000556422466 1078727008 /nfs/dbraw/zinc/72/70/08/1078727008.db2.gz QPEVYUNNLZTSSB-UHFFFAOYSA-N 1 0 416.482 0.521 20 0 HCADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCCCN3C(=O)CNC3=O)cc2)CC1 ZINC000556422960 1078727025 /nfs/dbraw/zinc/72/70/25/1078727025.db2.gz RYGVRHQVBPOWBI-UHFFFAOYSA-N 1 0 403.483 0.901 20 0 HCADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@H]3CS(=O)(=O)CCO3)cc2)CC1 ZINC000556425892 1078729447 /nfs/dbraw/zinc/72/94/47/1078729447.db2.gz UIGGLLQNUYNUSE-GOSISDBHSA-N 1 0 411.524 0.772 20 0 HCADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@H]3CS(=O)(=O)CCO3)cc2)CC1 ZINC000556425893 1078730052 /nfs/dbraw/zinc/73/00/52/1078730052.db2.gz UIGGLLQNUYNUSE-SFHVURJKSA-N 1 0 411.524 0.772 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000556427354 1078736612 /nfs/dbraw/zinc/73/66/12/1078736612.db2.gz VHYMBUPVXATFSN-GOSISDBHSA-N 1 0 410.540 0.993 20 0 HCADRO CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000556427355 1078736678 /nfs/dbraw/zinc/73/66/78/1078736678.db2.gz VHYMBUPVXATFSN-SFHVURJKSA-N 1 0 410.540 0.993 20 0 HCADRO COC(=O)c1cn(CCNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000556430455 1078733204 /nfs/dbraw/zinc/73/32/04/1078733204.db2.gz QCEHVMMIKAZZSZ-UHFFFAOYSA-N 1 0 415.498 0.182 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1OCC(N)=O ZINC000556435259 1078735755 /nfs/dbraw/zinc/73/57/55/1078735755.db2.gz CGBYGMVWMRRUEL-AWEZNQCLSA-N 1 0 418.494 0.831 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1OCC(N)=O ZINC000556435262 1078735678 /nfs/dbraw/zinc/73/56/78/1078735678.db2.gz CGBYGMVWMRRUEL-CQSZACIVSA-N 1 0 418.494 0.831 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC[N@@H+](C2CCC2)C1 ZINC000556435709 1078740257 /nfs/dbraw/zinc/74/02/57/1078740257.db2.gz FVGNMWMNYNJGCV-HNNXBMFYSA-N 1 0 414.510 0.289 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC[N@@H+](C2CCC2)C1 ZINC000556435711 1078740338 /nfs/dbraw/zinc/74/03/38/1078740338.db2.gz FVGNMWMNYNJGCV-OAHLLOKOSA-N 1 0 414.510 0.289 20 0 HCADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000556436134 1078739509 /nfs/dbraw/zinc/73/95/09/1078739509.db2.gz IESFXMQHAYJZEM-UHFFFAOYSA-N 1 0 416.522 0.969 20 0 HCADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)cn2)C[C@H](C)O1 ZINC000556439701 1078743458 /nfs/dbraw/zinc/74/34/58/1078743458.db2.gz FWHPHZXDOMJJAQ-CALCHBBNSA-N 1 0 419.526 0.862 20 0 HCADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)cn2)C[C@@H](C)O1 ZINC000556439702 1078743500 /nfs/dbraw/zinc/74/35/00/1078743500.db2.gz FWHPHZXDOMJJAQ-IAGOWNOFSA-N 1 0 419.526 0.862 20 0 HCADRO C[C@H]1CN(c2ccc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)cn2)C[C@H](C)O1 ZINC000556439703 1078743708 /nfs/dbraw/zinc/74/37/08/1078743708.db2.gz FWHPHZXDOMJJAQ-IRXDYDNUSA-N 1 0 419.526 0.862 20 0 HCADRO COC(=O)c1cn(CCNC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1 ZINC000556442374 1078744498 /nfs/dbraw/zinc/74/44/98/1078744498.db2.gz LVHTWWAIDUXDIW-XYPWUTKMSA-N 1 0 405.503 0.017 20 0 HCADRO COC(=O)c1cn(CCNC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)nn1 ZINC000556442693 1078737916 /nfs/dbraw/zinc/73/79/16/1078737916.db2.gz YHRWXVQQPMMVFA-KRWDZBQOSA-N 1 0 415.498 0.353 20 0 HCADRO COC(=O)c1cn(CCNC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)nn1 ZINC000556442695 1078738066 /nfs/dbraw/zinc/73/80/66/1078738066.db2.gz YHRWXVQQPMMVFA-QGZVFWFLSA-N 1 0 415.498 0.353 20 0 HCADRO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@H]1C[N@H+](C)CCN1C)C2 ZINC000556452527 1078747740 /nfs/dbraw/zinc/74/77/40/1078747740.db2.gz DRNVLFZUGQYENT-INIZCTEOSA-N 1 0 409.556 0.250 20 0 HCADRO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C2 ZINC000556452528 1078747671 /nfs/dbraw/zinc/74/76/71/1078747671.db2.gz DRNVLFZUGQYENT-MRXNPFEDSA-N 1 0 409.556 0.250 20 0 HCADRO CNS(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)C2 ZINC000556453231 1078747266 /nfs/dbraw/zinc/74/72/66/1078747266.db2.gz WXUODJJMCJGNJQ-INIZCTEOSA-N 1 0 410.540 0.773 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC4(C3)CCOCC4)cc2)CC1 ZINC000556478086 1078773972 /nfs/dbraw/zinc/77/39/72/1078773972.db2.gz UAANGYPTBTUUES-UHFFFAOYSA-N 1 0 416.522 0.890 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)NCc1ccc(OC3CC[NH+](C)CC3)cc1)c2=O ZINC000556480366 1078769449 /nfs/dbraw/zinc/76/94/49/1078769449.db2.gz KNVFNFNTAKFUMB-UHFFFAOYSA-N 1 0 410.478 0.919 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC(CS(C)(=O)=O)CC2)c1 ZINC000556484878 1078779078 /nfs/dbraw/zinc/77/90/78/1078779078.db2.gz CAWABFZRWWFPNG-UHFFFAOYSA-N 1 0 411.524 0.849 20 0 HCADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC(CS(C)(=O)=O)CC1 ZINC000556485019 1078778513 /nfs/dbraw/zinc/77/85/13/1078778513.db2.gz DQQKLXJEZWVUMT-UHFFFAOYSA-N 1 0 411.524 0.979 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c2ccccc2O1 ZINC000556485641 1078780123 /nfs/dbraw/zinc/78/01/23/1078780123.db2.gz PLDIAXJISYNCNJ-BVYOLEPJSA-N 1 0 414.506 0.715 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c2ccccc2O1 ZINC000556485642 1078780168 /nfs/dbraw/zinc/78/01/68/1078780168.db2.gz PLDIAXJISYNCNJ-GFIVTLFCSA-N 1 0 414.506 0.715 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c2ccccc2O1 ZINC000556485643 1078780247 /nfs/dbraw/zinc/78/02/47/1078780247.db2.gz PLDIAXJISYNCNJ-LFEHRJTNSA-N 1 0 414.506 0.715 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c2ccccc2O1 ZINC000556485644 1078780337 /nfs/dbraw/zinc/78/03/37/1078780337.db2.gz PLDIAXJISYNCNJ-MGTHKWJCSA-N 1 0 414.506 0.715 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000556487678 1078775719 /nfs/dbraw/zinc/77/57/19/1078775719.db2.gz DJXAVRMANJVYGN-IBGZPJMESA-N 1 0 424.523 0.950 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000556487679 1078775935 /nfs/dbraw/zinc/77/59/35/1078775935.db2.gz DJXAVRMANJVYGN-LJQANCHMSA-N 1 0 424.523 0.950 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c(OCC(=O)N(C)C)c1 ZINC000556488045 1078775020 /nfs/dbraw/zinc/77/50/20/1078775020.db2.gz BTBPPUQXAHGOTG-NRFANRHFSA-N 1 0 402.495 0.955 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(OCC(=O)N(C)C)c1 ZINC000556488047 1078775138 /nfs/dbraw/zinc/77/51/38/1078775138.db2.gz BTBPPUQXAHGOTG-OAQYLSRUSA-N 1 0 402.495 0.955 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1C(=O)N1CCOCC1 ZINC000556488064 1078775040 /nfs/dbraw/zinc/77/50/40/1078775040.db2.gz BYZRCTMYRIZKKD-JOCHJYFZSA-N 1 0 414.506 0.960 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cccc1C(=O)N1CCOCC1 ZINC000556488065 1078775213 /nfs/dbraw/zinc/77/52/13/1078775213.db2.gz BYZRCTMYRIZKKD-QFIPXVFZSA-N 1 0 414.506 0.960 20 0 HCADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C[C@@H](C)C1 ZINC000556488079 1078774990 /nfs/dbraw/zinc/77/49/90/1078774990.db2.gz CAXNPJQYSXYIBZ-DAYGRLMNSA-N 1 0 412.494 0.698 20 0 HCADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C[C@@H](C)C1 ZINC000556488082 1078775093 /nfs/dbraw/zinc/77/50/93/1078775093.db2.gz CAXNPJQYSXYIBZ-HDMKZQKVSA-N 1 0 412.494 0.698 20 0 HCADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C[C@@H](C)C1 ZINC000556488084 1078774948 /nfs/dbraw/zinc/77/49/48/1078774948.db2.gz CAXNPJQYSXYIBZ-MPGHIAIKSA-N 1 0 412.494 0.698 20 0 HCADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C[C@@H](C)C1 ZINC000556488086 1078775175 /nfs/dbraw/zinc/77/51/75/1078775175.db2.gz CAXNPJQYSXYIBZ-RLFYNMQTSA-N 1 0 412.494 0.698 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1S(=O)(=O)NC1CC1 ZINC000556488405 1078774464 /nfs/dbraw/zinc/77/44/64/1078774464.db2.gz IDHULCNAULISGC-FQEVSTJZSA-N 1 0 420.535 0.928 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1S(=O)(=O)NC1CC1 ZINC000556488412 1078774433 /nfs/dbraw/zinc/77/44/33/1078774433.db2.gz IDHULCNAULISGC-HXUWFJFHSA-N 1 0 420.535 0.928 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000556488582 1078776205 /nfs/dbraw/zinc/77/62/05/1078776205.db2.gz DXMJIJFZEVFLGE-GOSISDBHSA-N 1 0 410.496 0.559 20 0 HCADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000556488585 1078776221 /nfs/dbraw/zinc/77/62/21/1078776221.db2.gz DXMJIJFZEVFLGE-SFHVURJKSA-N 1 0 410.496 0.559 20 0 HCADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)C2)C1 ZINC000556488627 1078776233 /nfs/dbraw/zinc/77/62/33/1078776233.db2.gz FIFWTOSBANTXRH-JOCHJYFZSA-N 1 0 413.522 0.881 20 0 HCADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)C2)C1 ZINC000556488634 1078776272 /nfs/dbraw/zinc/77/62/72/1078776272.db2.gz FIFWTOSBANTXRH-QFIPXVFZSA-N 1 0 413.522 0.881 20 0 HCADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@]3(CC[N@H+](C)C3)C1)CC2 ZINC000556489044 1078776355 /nfs/dbraw/zinc/77/63/55/1078776355.db2.gz LEPYJWSYMSVNRC-IBGZPJMESA-N 1 0 406.508 0.038 20 0 HCADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@]3(CC[N@H+](C)C3)C1)CC2 ZINC000556489054 1078776408 /nfs/dbraw/zinc/77/64/08/1078776408.db2.gz LEPYJWSYMSVNRC-LJQANCHMSA-N 1 0 406.508 0.038 20 0 HCADRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000556489141 1078775884 /nfs/dbraw/zinc/77/58/84/1078775884.db2.gz HHNJFFFYJFQAOU-JOCHJYFZSA-N 1 0 414.506 0.960 20 0 HCADRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000556489143 1078775583 /nfs/dbraw/zinc/77/55/83/1078775583.db2.gz HHNJFFFYJFQAOU-QFIPXVFZSA-N 1 0 414.506 0.960 20 0 HCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000556489148 1078775803 /nfs/dbraw/zinc/77/58/03/1078775803.db2.gz HJNZFZZBAOQHCN-FQEVSTJZSA-N 1 0 420.535 0.962 20 0 HCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000556489152 1078775918 /nfs/dbraw/zinc/77/59/18/1078775918.db2.gz HJNZFZZBAOQHCN-HXUWFJFHSA-N 1 0 420.535 0.962 20 0 HCADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000556489305 1078775506 /nfs/dbraw/zinc/77/55/06/1078775506.db2.gz IKXFHQCDPIAXPF-CAOSSQGBSA-N 1 0 423.539 0.370 20 0 HCADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000556489310 1078775843 /nfs/dbraw/zinc/77/58/43/1078775843.db2.gz IKXFHQCDPIAXPF-JJXSEGSLSA-N 1 0 423.539 0.370 20 0 HCADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000556489313 1078775961 /nfs/dbraw/zinc/77/59/61/1078775961.db2.gz IKXFHQCDPIAXPF-JONQDZQNSA-N 1 0 423.539 0.370 20 0 HCADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000556489315 1078775637 /nfs/dbraw/zinc/77/56/37/1078775637.db2.gz IKXFHQCDPIAXPF-ZJIFWQFVSA-N 1 0 423.539 0.370 20 0 HCADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccn3)C2)C1 ZINC000556489851 1078776308 /nfs/dbraw/zinc/77/63/08/1078776308.db2.gz KWYMRQKABBQNLF-IBGZPJMESA-N 1 0 421.523 0.359 20 0 HCADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)C2)C1 ZINC000556490633 1078777423 /nfs/dbraw/zinc/77/74/23/1078777423.db2.gz UOEWQOYHJRDQRD-IBGZPJMESA-N 1 0 406.508 0.719 20 0 HCADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)C2)C1 ZINC000556490634 1078777358 /nfs/dbraw/zinc/77/73/58/1078777358.db2.gz UOEWQOYHJRDQRD-LJQANCHMSA-N 1 0 406.508 0.719 20 0 HCADRO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000556491009 1078776965 /nfs/dbraw/zinc/77/69/65/1078776965.db2.gz ZPVVLKZTRGRILZ-IBGZPJMESA-N 1 0 409.508 0.599 20 0 HCADRO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000556491011 1078777103 /nfs/dbraw/zinc/77/71/03/1078777103.db2.gz ZPVVLKZTRGRILZ-LJQANCHMSA-N 1 0 409.508 0.599 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cccc1S(=O)(=O)NC1CC1 ZINC000556491071 1078777093 /nfs/dbraw/zinc/77/70/93/1078777093.db2.gz UEUNBCHEUIBPDP-FQEVSTJZSA-N 1 0 420.535 0.928 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1S(=O)(=O)NC1CC1 ZINC000556491072 1078777137 /nfs/dbraw/zinc/77/71/37/1078777137.db2.gz UEUNBCHEUIBPDP-HXUWFJFHSA-N 1 0 420.535 0.928 20 0 HCADRO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CC[N@@H+]([C@@H]4C[C@H]4C)C[C@@H](C)C3)c2C)no1 ZINC000556491219 1078776914 /nfs/dbraw/zinc/77/69/14/1078776914.db2.gz VUWRWDPGACUCKT-LALPHHSUSA-N 1 0 416.486 0.453 20 0 HCADRO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CC[N@@H+]([C@@H]4C[C@@H]4C)C[C@H](C)C3)c2C)no1 ZINC000556491220 1078777126 /nfs/dbraw/zinc/77/71/26/1078777126.db2.gz VUWRWDPGACUCKT-SLEUVZQESA-N 1 0 416.486 0.453 20 0 HCADRO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CC[N@@H+]([C@@H]4C[C@@H]4C)C[C@@H](C)C3)c2C)no1 ZINC000556491221 1078776864 /nfs/dbraw/zinc/77/68/64/1078776864.db2.gz VUWRWDPGACUCKT-TYNCELHUSA-N 1 0 416.486 0.453 20 0 HCADRO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CC[N@@H+]([C@@H]4C[C@H]4C)C[C@H](C)C3)c2C)no1 ZINC000556491222 1078776729 /nfs/dbraw/zinc/77/67/29/1078776729.db2.gz VUWRWDPGACUCKT-YWPYICTPSA-N 1 0 416.486 0.453 20 0 HCADRO COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)ccc21 ZINC000556491253 1078777028 /nfs/dbraw/zinc/77/70/28/1078777028.db2.gz XEMQGLNCRSKXRM-NRFANRHFSA-N 1 0 400.479 0.715 20 0 HCADRO COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)ccc21 ZINC000556491254 1078777053 /nfs/dbraw/zinc/77/70/53/1078777053.db2.gz XEMQGLNCRSKXRM-OAQYLSRUSA-N 1 0 400.479 0.715 20 0 HCADRO C[C@H]1C[C@@H](O)CCN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000556500622 1078780880 /nfs/dbraw/zinc/78/08/80/1078780880.db2.gz JVXFCNNUCSCRMQ-WMZOPIPTSA-N 1 0 404.511 0.623 20 0 HCADRO C[C@H]1C[C@@H](O)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000556500958 1078780782 /nfs/dbraw/zinc/78/07/82/1078780782.db2.gz PWZVHTYAKXDJHU-HOTGVXAUSA-N 1 0 402.495 0.775 20 0 HCADRO C[C@H]1C[C@@H](O)CCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000556501272 1078780902 /nfs/dbraw/zinc/78/09/02/1078780902.db2.gz FTRIZMCQGUXBRZ-KSSFIOAISA-N 1 0 402.495 0.694 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000556502918 1078791141 /nfs/dbraw/zinc/79/11/41/1078791141.db2.gz CLTHAABRPKTYFD-HNNXBMFYSA-N 1 0 408.524 0.679 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000556502919 1078790958 /nfs/dbraw/zinc/79/09/58/1078790958.db2.gz CLTHAABRPKTYFD-OAHLLOKOSA-N 1 0 408.524 0.679 20 0 HCADRO CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000556503847 1078791424 /nfs/dbraw/zinc/79/14/24/1078791424.db2.gz AGRMNWJADFQSNJ-AWEZNQCLSA-N 1 0 403.483 0.690 20 0 HCADRO CNC(=O)[C@H](C)NC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556504434 1078791064 /nfs/dbraw/zinc/79/10/64/1078791064.db2.gz JGZIYJPUMJOXOJ-DOTOQJQBSA-N 1 0 412.494 0.828 20 0 HCADRO CNC(=O)[C@H](C)NC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556504437 1078791005 /nfs/dbraw/zinc/79/10/05/1078791005.db2.gz JGZIYJPUMJOXOJ-RDJZCZTQSA-N 1 0 412.494 0.828 20 0 HCADRO CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000556504639 1078784005 /nfs/dbraw/zinc/78/40/05/1078784005.db2.gz MUCGHVNZBORUOB-INIZCTEOSA-N 1 0 424.505 0.593 20 0 HCADRO COc1c(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cc(Cl)cc1C(N)=O ZINC000556505544 1078784446 /nfs/dbraw/zinc/78/44/46/1078784446.db2.gz LAVJSFPBQTWRKW-UHFFFAOYSA-N 1 0 411.890 0.140 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000556505700 1078784538 /nfs/dbraw/zinc/78/45/38/1078784538.db2.gz DBSMSKRZXAMXML-FQEVSTJZSA-N 1 0 401.555 0.078 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000556505701 1078784367 /nfs/dbraw/zinc/78/43/67/1078784367.db2.gz DBSMSKRZXAMXML-HXUWFJFHSA-N 1 0 401.555 0.078 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[N@@H+]1CCCC[C@H]1C ZINC000556507037 1078785929 /nfs/dbraw/zinc/78/59/29/1078785929.db2.gz ZSXCGRTZLPHFOX-CABCVRRESA-N 1 0 417.510 0.562 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[N@@H+]1CCCC[C@@H]1C ZINC000556507040 1078785959 /nfs/dbraw/zinc/78/59/59/1078785959.db2.gz ZSXCGRTZLPHFOX-GJZGRUSLSA-N 1 0 417.510 0.562 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[N@@H+]1CCCC[C@H]1C ZINC000556507042 1078785893 /nfs/dbraw/zinc/78/58/93/1078785893.db2.gz ZSXCGRTZLPHFOX-HUUCEWRRSA-N 1 0 417.510 0.562 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[N@@H+]1CCCC[C@@H]1C ZINC000556507043 1078785996 /nfs/dbraw/zinc/78/59/96/1078785996.db2.gz ZSXCGRTZLPHFOX-LSDHHAIUSA-N 1 0 417.510 0.562 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1)N1CC[NH+](C)CC1 ZINC000556507606 1078788212 /nfs/dbraw/zinc/78/82/12/1078788212.db2.gz VNQHLRBJIROMGM-IBGZPJMESA-N 1 0 413.522 0.865 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1)N1CC[NH+](C)CC1 ZINC000556507614 1078787693 /nfs/dbraw/zinc/78/76/93/1078787693.db2.gz VNQHLRBJIROMGM-LJQANCHMSA-N 1 0 413.522 0.865 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 ZINC000556508302 1078787635 /nfs/dbraw/zinc/78/76/35/1078787635.db2.gz ZMKDHJUGFWGKDS-UHFFFAOYSA-N 1 0 419.501 0.584 20 0 HCADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000556508615 1078788808 /nfs/dbraw/zinc/78/88/08/1078788808.db2.gz PUVUKWOEBXFNHZ-UHFFFAOYSA-N 1 0 403.483 0.175 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000556508923 1078788183 /nfs/dbraw/zinc/78/81/83/1078788183.db2.gz UBXREKVLIJBDRO-CABCVRRESA-N 1 0 417.510 0.419 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000556508924 1078788664 /nfs/dbraw/zinc/78/86/64/1078788664.db2.gz UBXREKVLIJBDRO-GJZGRUSLSA-N 1 0 417.510 0.419 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000556508925 1078788777 /nfs/dbraw/zinc/78/87/77/1078788777.db2.gz UBXREKVLIJBDRO-HUUCEWRRSA-N 1 0 417.510 0.419 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000556508926 1078788696 /nfs/dbraw/zinc/78/86/96/1078788696.db2.gz UBXREKVLIJBDRO-LSDHHAIUSA-N 1 0 417.510 0.419 20 0 HCADRO COc1c(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc(Cl)cc1C(=O)N(C)C ZINC000556509442 1078788091 /nfs/dbraw/zinc/78/80/91/1078788091.db2.gz BWUSNNIRTOGAPA-LLVKDONJSA-N 1 0 400.863 0.028 20 0 HCADRO COc1c(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc(Cl)cc1C(=O)N(C)C ZINC000556509443 1078788275 /nfs/dbraw/zinc/78/82/75/1078788275.db2.gz BWUSNNIRTOGAPA-NSHDSACASA-N 1 0 400.863 0.028 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@H](C)O1 ZINC000556509931 1078789152 /nfs/dbraw/zinc/78/91/52/1078789152.db2.gz SUVXNSASMUMYBK-BETUJISGSA-N 1 0 406.458 0.666 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@H](C)O1 ZINC000556509935 1078789257 /nfs/dbraw/zinc/78/92/57/1078789257.db2.gz SUVXNSASMUMYBK-STQMWFEESA-N 1 0 406.458 0.666 20 0 HCADRO Cn1cnc2c1c(=O)n(CCCN1CC[N@H+](C)[C@H](Cc3ccccc3)C1)c(=O)n2C ZINC000556510004 1078789388 /nfs/dbraw/zinc/78/93/88/1078789388.db2.gz HHSNNOFBZVGBBN-GOSISDBHSA-N 1 0 410.522 0.683 20 0 HCADRO Cn1cnc2c1c(=O)n(CCCN1CC[N@H+](C)[C@@H](Cc3ccccc3)C1)c(=O)n2C ZINC000556510005 1078789281 /nfs/dbraw/zinc/78/92/81/1078789281.db2.gz HHSNNOFBZVGBBN-SFHVURJKSA-N 1 0 410.522 0.683 20 0 HCADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000556511066 1078793806 /nfs/dbraw/zinc/79/38/06/1078793806.db2.gz QTPGJGIRHGKXMX-CYBMUJFWSA-N 1 0 419.507 0.578 20 0 HCADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000556511069 1078793551 /nfs/dbraw/zinc/79/35/51/1078793551.db2.gz QTPGJGIRHGKXMX-ZDUSSCGKSA-N 1 0 419.507 0.578 20 0 HCADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000556512269 1078793601 /nfs/dbraw/zinc/79/36/01/1078793601.db2.gz HXGUDQCBULQZRG-UHFFFAOYSA-N 1 0 417.510 0.373 20 0 HCADRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000556513269 1078795377 /nfs/dbraw/zinc/79/53/77/1078795377.db2.gz QEJLJAWABSKORJ-GDBMZVCRSA-N 1 0 413.478 0.444 20 0 HCADRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000556513275 1078795351 /nfs/dbraw/zinc/79/53/51/1078795351.db2.gz QEJLJAWABSKORJ-GOEBONIOSA-N 1 0 413.478 0.444 20 0 HCADRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000556513278 1078795268 /nfs/dbraw/zinc/79/52/68/1078795268.db2.gz QEJLJAWABSKORJ-HOCLYGCPSA-N 1 0 413.478 0.444 20 0 HCADRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000556513279 1078795435 /nfs/dbraw/zinc/79/54/35/1078795435.db2.gz QEJLJAWABSKORJ-ZBFHGGJFSA-N 1 0 413.478 0.444 20 0 HCADRO CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000556514855 1078800195 /nfs/dbraw/zinc/80/01/95/1078800195.db2.gz ISFBXLRKWGSROI-HOTGVXAUSA-N 1 0 419.526 1.550 20 0 HCADRO CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nn1 ZINC000556514860 1078800152 /nfs/dbraw/zinc/80/01/52/1078800152.db2.gz ISFBXLRKWGSROI-HZPDHXFCSA-N 1 0 419.526 1.550 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)Nc2cnc(CC3CC3)nc2)CC1 ZINC000556514990 1078799801 /nfs/dbraw/zinc/79/98/01/1078799801.db2.gz LKJNTFWENIVRSL-UHFFFAOYSA-N 1 0 409.494 0.831 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[NH+]1CCC(C)CC1 ZINC000556515072 1078799031 /nfs/dbraw/zinc/79/90/31/1078799031.db2.gz NPZWEJSLZPREOQ-HNNXBMFYSA-N 1 0 417.510 0.419 20 0 HCADRO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000556517232 1078801228 /nfs/dbraw/zinc/80/12/28/1078801228.db2.gz SVUJVQDVSLERCE-ABAIWWIYSA-N 1 0 422.507 0.917 20 0 HCADRO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000556517234 1078801179 /nfs/dbraw/zinc/80/11/79/1078801179.db2.gz SVUJVQDVSLERCE-NHYWBVRUSA-N 1 0 422.507 0.917 20 0 HCADRO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000556517235 1078801212 /nfs/dbraw/zinc/80/12/12/1078801212.db2.gz SVUJVQDVSLERCE-XHDPSFHLSA-N 1 0 422.507 0.917 20 0 HCADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000556517259 1078801126 /nfs/dbraw/zinc/80/11/26/1078801126.db2.gz ABSIXYKMXHNDBU-UHFFFAOYSA-N 1 0 417.510 0.565 20 0 HCADRO O=C1CC[C@H]([NH2+]CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C2CC2)N1 ZINC000556518723 1078792769 /nfs/dbraw/zinc/79/27/69/1078792769.db2.gz FZIVXQHPBGTHPA-ICSRJNTNSA-N 1 0 423.535 0.733 20 0 HCADRO O=C1CC[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C2CC2)N1 ZINC000556518732 1078792640 /nfs/dbraw/zinc/79/26/40/1078792640.db2.gz FZIVXQHPBGTHPA-QUCCMNQESA-N 1 0 423.535 0.733 20 0 HCADRO O=C1CC[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C2CC2)N1 ZINC000556518734 1078792754 /nfs/dbraw/zinc/79/27/54/1078792754.db2.gz FZIVXQHPBGTHPA-UYAOXDASSA-N 1 0 423.535 0.733 20 0 HCADRO COCCOc1ncccc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000556518897 1078792734 /nfs/dbraw/zinc/79/27/34/1078792734.db2.gz GTYGBZARYYCJBI-UHFFFAOYSA-N 1 0 405.499 0.285 20 0 HCADRO Cc1n[nH]cc1C1CC[NH+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000556519035 1078792140 /nfs/dbraw/zinc/79/21/40/1078792140.db2.gz IEYZWYKEUAIBAE-UHFFFAOYSA-N 1 0 423.525 0.923 20 0 HCADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556519152 1078792210 /nfs/dbraw/zinc/79/22/10/1078792210.db2.gz GIFDKRCQVMYGQK-SJORKVTESA-N 1 0 415.494 0.268 20 0 HCADRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000556519482 1078793211 /nfs/dbraw/zinc/79/32/11/1078793211.db2.gz NYTFSGUXJVZOIU-INIZCTEOSA-N 1 0 404.577 0.543 20 0 HCADRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000556519488 1078793180 /nfs/dbraw/zinc/79/31/80/1078793180.db2.gz NYTFSGUXJVZOIU-MRXNPFEDSA-N 1 0 404.577 0.543 20 0 HCADRO O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000556520138 1078810582 /nfs/dbraw/zinc/81/05/82/1078810582.db2.gz RRXAUDQMEQWLFT-FXAWDEMLSA-N 1 0 420.535 0.166 20 0 HCADRO O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000556520147 1078810600 /nfs/dbraw/zinc/81/06/00/1078810600.db2.gz RRXAUDQMEQWLFT-PXNSSMCTSA-N 1 0 420.535 0.166 20 0 HCADRO O=C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000556520153 1078810624 /nfs/dbraw/zinc/81/06/24/1078810624.db2.gz RRXAUDQMEQWLFT-XLIONFOSSA-N 1 0 420.535 0.166 20 0 HCADRO O=C(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000556520156 1078810567 /nfs/dbraw/zinc/81/05/67/1078810567.db2.gz RRXAUDQMEQWLFT-YLJYHZDGSA-N 1 0 420.535 0.166 20 0 HCADRO CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)nn1 ZINC000556520259 1078810213 /nfs/dbraw/zinc/81/02/13/1078810213.db2.gz NQMCNHGMXRPTBW-UHFFFAOYSA-N 1 0 413.482 0.666 20 0 HCADRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000556520555 1078810976 /nfs/dbraw/zinc/81/09/76/1078810976.db2.gz RNHRGKAGTFGYFA-HNNXBMFYSA-N 1 0 408.524 0.604 20 0 HCADRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000556520561 1078810854 /nfs/dbraw/zinc/81/08/54/1078810854.db2.gz RNHRGKAGTFGYFA-OAHLLOKOSA-N 1 0 408.524 0.604 20 0 HCADRO CCn1c(N)c(C(=O)C[NH2+][C@@H](C)[C@@H](Cc2ccccc2)C(=O)OC)c(=O)[nH]c1=O ZINC000556521194 1078811373 /nfs/dbraw/zinc/81/13/73/1078811373.db2.gz YXCUUTHQCPHWPO-GXTWGEPZSA-N 1 0 402.451 0.744 20 0 HCADRO CCn1c(N)c(C(=O)C[NH2+][C@@H](C)[C@H](Cc2ccccc2)C(=O)OC)c(=O)[nH]c1=O ZINC000556521196 1078811257 /nfs/dbraw/zinc/81/12/57/1078811257.db2.gz YXCUUTHQCPHWPO-JSGCOSHPSA-N 1 0 402.451 0.744 20 0 HCADRO CCn1c(N)c(C(=O)C[NH2+][C@H](C)[C@H](Cc2ccccc2)C(=O)OC)c(=O)[nH]c1=O ZINC000556521198 1078811291 /nfs/dbraw/zinc/81/12/91/1078811291.db2.gz YXCUUTHQCPHWPO-OCCSQVGLSA-N 1 0 402.451 0.744 20 0 HCADRO CCn1c(N)c(C(=O)C[NH2+][C@H](C)[C@@H](Cc2ccccc2)C(=O)OC)c(=O)[nH]c1=O ZINC000556521199 1078811380 /nfs/dbraw/zinc/81/13/80/1078811380.db2.gz YXCUUTHQCPHWPO-TZMCWYRMSA-N 1 0 402.451 0.744 20 0 HCADRO CNS(=O)(=O)c1cccc2c1CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)C2 ZINC000556521532 1078803130 /nfs/dbraw/zinc/80/31/30/1078803130.db2.gz YDEMFUHCRUTAEE-UHFFFAOYSA-N 1 0 408.568 0.942 20 0 HCADRO CNS(=O)(=O)c1cccc2c1CCN(CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000556521813 1078803097 /nfs/dbraw/zinc/80/30/97/1078803097.db2.gz WJCAENAFYNAWBA-UHFFFAOYSA-N 1 0 406.552 0.696 20 0 HCADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000556522351 1078802782 /nfs/dbraw/zinc/80/27/82/1078802782.db2.gz ZRHIRHJBYJWIBV-ZDUSSCGKSA-N 1 0 418.469 0.762 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)C[NH+]1CCCCC1 ZINC000556523055 1078803759 /nfs/dbraw/zinc/80/37/59/1078803759.db2.gz TWLGGYOXRLDVAA-HNNXBMFYSA-N 1 0 417.510 0.421 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)C[NH+]1CCCCC1 ZINC000556523057 1078803717 /nfs/dbraw/zinc/80/37/17/1078803717.db2.gz TWLGGYOXRLDVAA-OAHLLOKOSA-N 1 0 417.510 0.421 20 0 HCADRO Cc1ccn(-c2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)cc2)n1 ZINC000556528566 1078816357 /nfs/dbraw/zinc/81/63/57/1078816357.db2.gz HCHWYGDYEYGXBT-IBGZPJMESA-N 1 0 424.505 0.884 20 0 HCADRO Cc1ccn(-c2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)cc2)n1 ZINC000556528567 1078816287 /nfs/dbraw/zinc/81/62/87/1078816287.db2.gz HCHWYGDYEYGXBT-LJQANCHMSA-N 1 0 424.505 0.884 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnc(CC3CC3)nc2)CC1 ZINC000556528649 1078816341 /nfs/dbraw/zinc/81/63/41/1078816341.db2.gz LQEGOFLBVGMFRJ-INIZCTEOSA-N 1 0 400.483 0.133 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnc(CC3CC3)nc2)CC1 ZINC000556528650 1078816329 /nfs/dbraw/zinc/81/63/29/1078816329.db2.gz LQEGOFLBVGMFRJ-MRXNPFEDSA-N 1 0 400.483 0.133 20 0 HCADRO CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)nn1 ZINC000556528804 1078815971 /nfs/dbraw/zinc/81/59/71/1078815971.db2.gz NFQFNNDKWDJYFJ-UHFFFAOYSA-N 1 0 419.526 1.553 20 0 HCADRO COC(=O)c1cn(CCNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)nn1 ZINC000556532570 1078819561 /nfs/dbraw/zinc/81/95/61/1078819561.db2.gz VFYBKALJENIZTP-UHFFFAOYSA-N 1 0 414.466 0.458 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCC(=O)N[C@@H]3C3CC3)c2)CC1 ZINC000556533825 1078812269 /nfs/dbraw/zinc/81/22/69/1078812269.db2.gz MTABDJOZJFEZOT-AZUAARDMSA-N 1 0 413.522 0.546 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCC(=O)N[C@H]3C3CC3)c2)CC1 ZINC000556533826 1078812296 /nfs/dbraw/zinc/81/22/96/1078812296.db2.gz MTABDJOZJFEZOT-ICSRJNTNSA-N 1 0 413.522 0.546 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC3)c2)CC1 ZINC000556533827 1078812341 /nfs/dbraw/zinc/81/23/41/1078812341.db2.gz MTABDJOZJFEZOT-QUCCMNQESA-N 1 0 413.522 0.546 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC3)c2)CC1 ZINC000556533828 1078812252 /nfs/dbraw/zinc/81/22/52/1078812252.db2.gz MTABDJOZJFEZOT-UYAOXDASSA-N 1 0 413.522 0.546 20 0 HCADRO Cc1cc(CNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)n(C)n1 ZINC000556539892 1078823159 /nfs/dbraw/zinc/82/31/59/1078823159.db2.gz SEEHWXBHZVISGY-UHFFFAOYSA-N 1 0 400.439 0.453 20 0 HCADRO Cc1cc(CNC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)n(C)n1 ZINC000556542712 1078825120 /nfs/dbraw/zinc/82/51/20/1078825120.db2.gz PLROAVHDSWTSDP-UHFFFAOYSA-N 1 0 414.510 0.610 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)C1 ZINC000556546578 1078828893 /nfs/dbraw/zinc/82/88/93/1078828893.db2.gz DFWCRCVHPQGKJF-GOSISDBHSA-N 1 0 414.478 0.985 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)C1 ZINC000556546580 1078829017 /nfs/dbraw/zinc/82/90/17/1078829017.db2.gz DFWCRCVHPQGKJF-SFHVURJKSA-N 1 0 414.478 0.985 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC=C(c3ccccc3)C2)cn1 ZINC000556546917 1078829285 /nfs/dbraw/zinc/82/92/85/1078829285.db2.gz JDDYAUCZKFCDAD-UHFFFAOYSA-N 1 0 424.505 0.815 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)n(-c2nc3ccccc3s2)n1 ZINC000556547276 1078829012 /nfs/dbraw/zinc/82/90/12/1078829012.db2.gz MUJRHZWHQWCJII-IBGZPJMESA-N 1 0 414.491 0.912 20 0 HCADRO Cc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)n(-c2nc3ccccc3s2)n1 ZINC000556547277 1078828904 /nfs/dbraw/zinc/82/89/04/1078828904.db2.gz MUJRHZWHQWCJII-LJQANCHMSA-N 1 0 414.491 0.912 20 0 HCADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000556554863 1078832388 /nfs/dbraw/zinc/83/23/88/1078832388.db2.gz ZEMVNSVCMGPYSR-UHFFFAOYSA-N 1 0 403.483 0.125 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000556554993 1078832400 /nfs/dbraw/zinc/83/24/00/1078832400.db2.gz ZRHIRHJBYJWIBV-CYBMUJFWSA-N 1 0 418.469 0.762 20 0 HCADRO COc1ccncc1CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000556558553 1078837446 /nfs/dbraw/zinc/83/74/46/1078837446.db2.gz CZEVTAKBRYIYQO-UHFFFAOYSA-N 1 0 413.434 0.815 20 0 HCADRO O=C(Nc1ccc2c(c1F)CCNC2=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000556560386 1078837493 /nfs/dbraw/zinc/83/74/93/1078837493.db2.gz FVHANDXCCAKRTI-UHFFFAOYSA-N 1 0 418.469 0.621 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 ZINC000556560866 1078836662 /nfs/dbraw/zinc/83/66/62/1078836662.db2.gz MEZKJOBRKSBNRW-CYBMUJFWSA-N 1 0 406.458 0.259 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 ZINC000556560867 1078836782 /nfs/dbraw/zinc/83/67/82/1078836782.db2.gz MEZKJOBRKSBNRW-ZDUSSCGKSA-N 1 0 406.458 0.259 20 0 HCADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C1 ZINC000556560951 1078836359 /nfs/dbraw/zinc/83/63/59/1078836359.db2.gz OCOWDIPTGXDZKQ-HNNXBMFYSA-N 1 0 417.510 0.419 20 0 HCADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C1 ZINC000556560956 1078836296 /nfs/dbraw/zinc/83/62/96/1078836296.db2.gz OCOWDIPTGXDZKQ-OAHLLOKOSA-N 1 0 417.510 0.419 20 0 HCADRO COc1c(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc(Cl)cc1C(N)=O ZINC000556561415 1078835893 /nfs/dbraw/zinc/83/58/93/1078835893.db2.gz UKMXNQMBGIYIAA-KRWDZBQOSA-N 1 0 414.915 0.940 20 0 HCADRO COc1c(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc(Cl)cc1C(N)=O ZINC000556561418 1078835934 /nfs/dbraw/zinc/83/59/34/1078835934.db2.gz UKMXNQMBGIYIAA-QGZVFWFLSA-N 1 0 414.915 0.940 20 0 HCADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556561785 1078838465 /nfs/dbraw/zinc/83/84/65/1078838465.db2.gz CUEJBFOSQQIDBV-GASCZTMLSA-N 1 0 417.510 0.562 20 0 HCADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556561788 1078838824 /nfs/dbraw/zinc/83/88/24/1078838824.db2.gz CUEJBFOSQQIDBV-GJZGRUSLSA-N 1 0 417.510 0.562 20 0 HCADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556561790 1078838904 /nfs/dbraw/zinc/83/89/04/1078838904.db2.gz CUEJBFOSQQIDBV-HUUCEWRRSA-N 1 0 417.510 0.562 20 0 HCADRO COc1c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc(Cl)cc1C(N)=O ZINC000556562709 1078839264 /nfs/dbraw/zinc/83/92/64/1078839264.db2.gz VFISXHUGAWDNDC-GFCCVEGCSA-N 1 0 424.885 0.567 20 0 HCADRO COc1c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc(Cl)cc1C(N)=O ZINC000556562714 1078839273 /nfs/dbraw/zinc/83/92/73/1078839273.db2.gz VFISXHUGAWDNDC-LBPRGKRZSA-N 1 0 424.885 0.567 20 0 HCADRO Cn1ccc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2c1=O ZINC000556564107 1078839615 /nfs/dbraw/zinc/83/96/15/1078839615.db2.gz STUFKRCNOIGGHG-HNNXBMFYSA-N 1 0 413.478 0.181 20 0 HCADRO Cn1ccc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2c1=O ZINC000556564108 1078839567 /nfs/dbraw/zinc/83/95/67/1078839567.db2.gz STUFKRCNOIGGHG-OAHLLOKOSA-N 1 0 413.478 0.181 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC ZINC000556564111 1078839279 /nfs/dbraw/zinc/83/92/79/1078839279.db2.gz SVNXZFRDPMCWCS-UHFFFAOYSA-N 1 0 400.863 0.423 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 ZINC000556564297 1078839192 /nfs/dbraw/zinc/83/91/92/1078839192.db2.gz VUPKFHWGQYDFLB-UHFFFAOYSA-N 1 0 405.474 0.192 20 0 HCADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)cc1 ZINC000556565292 1078839556 /nfs/dbraw/zinc/83/95/56/1078839556.db2.gz AQBDRFVQJXBKCO-GOSISDBHSA-N 1 0 414.462 0.917 20 0 HCADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)cc1 ZINC000556565294 1078839633 /nfs/dbraw/zinc/83/96/33/1078839633.db2.gz AQBDRFVQJXBKCO-SFHVURJKSA-N 1 0 414.462 0.917 20 0 HCADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1 ZINC000556565581 1078840692 /nfs/dbraw/zinc/84/06/92/1078840692.db2.gz BRKJQUJKUNCYNG-KRWDZBQOSA-N 1 0 416.482 0.338 20 0 HCADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1 ZINC000556565583 1078840794 /nfs/dbraw/zinc/84/07/94/1078840794.db2.gz BRKJQUJKUNCYNG-QGZVFWFLSA-N 1 0 416.482 0.338 20 0 HCADRO COc1ccc(Cn2cc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)cn2)cc1 ZINC000556565650 1078840741 /nfs/dbraw/zinc/84/07/41/1078840741.db2.gz SEDMBRUQFYETDC-UHFFFAOYSA-N 1 0 401.467 0.451 20 0 HCADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)n1 ZINC000556565698 1078840757 /nfs/dbraw/zinc/84/07/57/1078840757.db2.gz DBRCIUUYZSRCRG-YOEHRIQHSA-N 1 0 403.483 1.457 20 0 HCADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C1 ZINC000556566077 1078840319 /nfs/dbraw/zinc/84/03/19/1078840319.db2.gz WXSXRDZONJQUBQ-INIZCTEOSA-N 1 0 403.483 0.125 20 0 HCADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C1 ZINC000556566078 1078840264 /nfs/dbraw/zinc/84/02/64/1078840264.db2.gz WXSXRDZONJQUBQ-MRXNPFEDSA-N 1 0 403.483 0.125 20 0 HCADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000556568321 1078842108 /nfs/dbraw/zinc/84/21/08/1078842108.db2.gz GTRIFHYBTLPPDW-KRWDZBQOSA-N 1 0 420.491 0.700 20 0 HCADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000556568324 1078842076 /nfs/dbraw/zinc/84/20/76/1078842076.db2.gz GTRIFHYBTLPPDW-QGZVFWFLSA-N 1 0 420.491 0.700 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556569201 1078842789 /nfs/dbraw/zinc/84/27/89/1078842789.db2.gz GGUSEJGWVIQDDL-KRWDZBQOSA-N 1 0 407.536 0.960 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556569205 1078842847 /nfs/dbraw/zinc/84/28/47/1078842847.db2.gz GGUSEJGWVIQDDL-QGZVFWFLSA-N 1 0 407.536 0.960 20 0 HCADRO CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000556579583 1078844674 /nfs/dbraw/zinc/84/46/74/1078844674.db2.gz WZDBIRNXCUCJLR-UHFFFAOYSA-N 1 0 407.536 0.981 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556579704 1078847200 /nfs/dbraw/zinc/84/72/00/1078847200.db2.gz CQVBWMMKTYYRMT-DLBZAZTESA-N 1 0 405.520 0.713 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556579705 1078847335 /nfs/dbraw/zinc/84/73/35/1078847335.db2.gz CQVBWMMKTYYRMT-IAGOWNOFSA-N 1 0 405.520 0.713 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556579706 1078847369 /nfs/dbraw/zinc/84/73/69/1078847369.db2.gz CQVBWMMKTYYRMT-IRXDYDNUSA-N 1 0 405.520 0.713 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556579707 1078847257 /nfs/dbraw/zinc/84/72/57/1078847257.db2.gz CQVBWMMKTYYRMT-SJORKVTESA-N 1 0 405.520 0.713 20 0 HCADRO CN(C(=O)C(=O)NC[C@@H]1COCCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000556579758 1078847225 /nfs/dbraw/zinc/84/72/25/1078847225.db2.gz AQOPSDLZWNHAAQ-GUDVDZBRSA-N 1 0 410.559 0.314 20 0 HCADRO CN(C(=O)C(=O)NC[C@H]1COCCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000556579759 1078847314 /nfs/dbraw/zinc/84/73/14/1078847314.db2.gz AQOPSDLZWNHAAQ-IPMKNSEASA-N 1 0 410.559 0.314 20 0 HCADRO CN(C(=O)C(=O)NC[C@H]1COCCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000556579760 1078847212 /nfs/dbraw/zinc/84/72/12/1078847212.db2.gz AQOPSDLZWNHAAQ-OTWHNJEPSA-N 1 0 410.559 0.314 20 0 HCADRO CN(C(=O)C(=O)NC[C@@H]1COCCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000556579761 1078847302 /nfs/dbraw/zinc/84/73/02/1078847302.db2.gz AQOPSDLZWNHAAQ-QRVBRYPASA-N 1 0 410.559 0.314 20 0 HCADRO CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000556580952 1078847643 /nfs/dbraw/zinc/84/76/43/1078847643.db2.gz NLAWETKQMWZMEP-UHFFFAOYSA-N 1 0 407.536 0.838 20 0 HCADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000556582321 1078848492 /nfs/dbraw/zinc/84/84/92/1078848492.db2.gz ZWVBOPLBEUFNNA-UHFFFAOYSA-N 1 0 421.523 0.488 20 0 HCADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC000556588056 1078850161 /nfs/dbraw/zinc/85/01/61/1078850161.db2.gz HJVCBKFOPJLQGL-INIZCTEOSA-N 1 0 409.512 0.435 20 0 HCADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC000556588062 1078850073 /nfs/dbraw/zinc/85/00/73/1078850073.db2.gz HJVCBKFOPJLQGL-MRXNPFEDSA-N 1 0 409.512 0.435 20 0 HCADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000556588259 1078850033 /nfs/dbraw/zinc/85/00/33/1078850033.db2.gz BIWRLXDAOPAJTK-AZUAARDMSA-N 1 0 418.538 0.595 20 0 HCADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000556588261 1078850044 /nfs/dbraw/zinc/85/00/44/1078850044.db2.gz BIWRLXDAOPAJTK-ICSRJNTNSA-N 1 0 418.538 0.595 20 0 HCADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000556588263 1078850116 /nfs/dbraw/zinc/85/01/16/1078850116.db2.gz BIWRLXDAOPAJTK-QUCCMNQESA-N 1 0 418.538 0.595 20 0 HCADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000556588264 1078850095 /nfs/dbraw/zinc/85/00/95/1078850095.db2.gz BIWRLXDAOPAJTK-UYAOXDASSA-N 1 0 418.538 0.595 20 0 HCADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1COCCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000556588885 1078846784 /nfs/dbraw/zinc/84/67/84/1078846784.db2.gz OJXDXSCNRTWOCW-GDBMZVCRSA-N 1 0 408.474 0.286 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@@H]1COCCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000556588887 1078846882 /nfs/dbraw/zinc/84/68/82/1078846882.db2.gz OJXDXSCNRTWOCW-GOEBONIOSA-N 1 0 408.474 0.286 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@H]1COCCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000556588889 1078846896 /nfs/dbraw/zinc/84/68/96/1078846896.db2.gz OJXDXSCNRTWOCW-HOCLYGCPSA-N 1 0 408.474 0.286 20 0 HCADRO C[C@@H](NC(=O)C(=O)NC[C@H]1COCCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000556588891 1078846800 /nfs/dbraw/zinc/84/68/00/1078846800.db2.gz OJXDXSCNRTWOCW-ZBFHGGJFSA-N 1 0 408.474 0.286 20 0 HCADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC000556589458 1078846841 /nfs/dbraw/zinc/84/68/41/1078846841.db2.gz LNYRPRISSFSBGG-KRWDZBQOSA-N 1 0 423.539 0.825 20 0 HCADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC000556589459 1078846925 /nfs/dbraw/zinc/84/69/25/1078846925.db2.gz LNYRPRISSFSBGG-QGZVFWFLSA-N 1 0 423.539 0.825 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000556589894 1078853498 /nfs/dbraw/zinc/85/34/98/1078853498.db2.gz OVVDBLNLUGBBFA-KBXCAEBGSA-N 1 0 417.510 0.985 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000556589897 1078853428 /nfs/dbraw/zinc/85/34/28/1078853428.db2.gz OVVDBLNLUGBBFA-KDOFPFPSSA-N 1 0 417.510 0.985 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000556589898 1078853543 /nfs/dbraw/zinc/85/35/43/1078853543.db2.gz OVVDBLNLUGBBFA-KSSFIOAISA-N 1 0 417.510 0.985 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000556589899 1078853458 /nfs/dbraw/zinc/85/34/58/1078853458.db2.gz OVVDBLNLUGBBFA-RDTXWAMCSA-N 1 0 417.510 0.985 20 0 HCADRO CCC(CC)[C@@H](CNC(=O)C(=O)NC1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC000556592916 1078854551 /nfs/dbraw/zinc/85/45/51/1078854551.db2.gz OKNUMGJOAPREQY-GOSISDBHSA-N 1 0 410.559 0.757 20 0 HCADRO CCC(CC)[C@H](CNC(=O)C(=O)NC1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC000556592917 1078854911 /nfs/dbraw/zinc/85/49/11/1078854911.db2.gz OKNUMGJOAPREQY-SFHVURJKSA-N 1 0 410.559 0.757 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000556593067 1078854612 /nfs/dbraw/zinc/85/46/12/1078854612.db2.gz PUFFVLSYANPGMK-UHFFFAOYSA-N 1 0 408.543 0.463 20 0 HCADRO O=C(NCc1nccs1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000556593132 1078854675 /nfs/dbraw/zinc/85/46/75/1078854675.db2.gz SZKKHIHUTARPFZ-UHFFFAOYSA-N 1 0 407.540 0.600 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000556593307 1078854651 /nfs/dbraw/zinc/85/46/51/1078854651.db2.gz WJCKOZPEBHDQDL-KRWDZBQOSA-N 1 0 408.474 0.298 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000556593308 1078854590 /nfs/dbraw/zinc/85/45/90/1078854590.db2.gz WJCKOZPEBHDQDL-QGZVFWFLSA-N 1 0 408.474 0.298 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](CO)O3)c(C)c2)CC1 ZINC000556593375 1078854574 /nfs/dbraw/zinc/85/45/74/1078854574.db2.gz YBJRPVIUOQFALN-MSOLQXFVSA-N 1 0 404.511 0.732 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000556593556 1078855251 /nfs/dbraw/zinc/85/52/51/1078855251.db2.gz ATGNISHNSWMZSW-INIZCTEOSA-N 1 0 418.538 0.986 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000556593557 1078855292 /nfs/dbraw/zinc/85/52/92/1078855292.db2.gz ATGNISHNSWMZSW-MRXNPFEDSA-N 1 0 418.538 0.986 20 0 HCADRO Cn1nccc1[C@@H]1[C@@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)CC(=O)N1C ZINC000556593598 1078855306 /nfs/dbraw/zinc/85/53/06/1078855306.db2.gz COTVEKZLZMGIMQ-KNBMTAEXSA-N 1 0 415.494 0.880 20 0 HCADRO Cn1nccc1[C@H]1[C@@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)CC(=O)N1C ZINC000556593599 1078855239 /nfs/dbraw/zinc/85/52/39/1078855239.db2.gz COTVEKZLZMGIMQ-RIFZZMRRSA-N 1 0 415.494 0.880 20 0 HCADRO Cn1nccc1[C@@H]1[C@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)CC(=O)N1C ZINC000556593600 1078855217 /nfs/dbraw/zinc/85/52/17/1078855217.db2.gz COTVEKZLZMGIMQ-VPWXQRGCSA-N 1 0 415.494 0.880 20 0 HCADRO Cn1nccc1[C@H]1[C@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)CC(=O)N1C ZINC000556593601 1078855270 /nfs/dbraw/zinc/85/52/70/1078855270.db2.gz COTVEKZLZMGIMQ-XAUMDUMWSA-N 1 0 415.494 0.880 20 0 HCADRO CCN(CC)c1ccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000556593651 1078855954 /nfs/dbraw/zinc/85/59/54/1078855954.db2.gz GUKUJSKKDZEMDO-UHFFFAOYSA-N 1 0 418.542 0.975 20 0 HCADRO COC(=O)c1ccsc1NC(=O)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000556593943 1078855691 /nfs/dbraw/zinc/85/56/91/1078855691.db2.gz APNHPQPHGVQMOH-UHFFFAOYSA-N 1 0 410.496 0.582 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c2ccccc2O1 ZINC000556594006 1078855875 /nfs/dbraw/zinc/85/58/75/1078855875.db2.gz FAJPBZKZLIHMCZ-INIZCTEOSA-N 1 0 402.495 0.909 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c2ccccc2O1 ZINC000556594007 1078855970 /nfs/dbraw/zinc/85/59/70/1078855970.db2.gz FAJPBZKZLIHMCZ-MRXNPFEDSA-N 1 0 402.495 0.909 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c(F)c1 ZINC000556594029 1078855942 /nfs/dbraw/zinc/85/59/42/1078855942.db2.gz GDSPCAQRNMHIRS-UHFFFAOYSA-N 1 0 422.457 0.659 20 0 HCADRO Cc1cc2c(cc1NC(=O)C(=O)NCC(=O)NCC[NH+]1CCCCCC1)OCO2 ZINC000556594222 1078855591 /nfs/dbraw/zinc/85/55/91/1078855591.db2.gz HYQAXYDTBQWGDZ-UHFFFAOYSA-N 1 0 404.467 0.771 20 0 HCADRO O=C(CNC(=O)C(=O)N1CCc2c1cc(F)cc2F)NCC[NH+]1CCCCCC1 ZINC000556594250 1078855623 /nfs/dbraw/zinc/85/56/23/1078855623.db2.gz JDLXGCZZVCEYLJ-UHFFFAOYSA-N 1 0 408.449 0.962 20 0 HCADRO Cc1c(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cnn1CC(C)C ZINC000556594269 1078855558 /nfs/dbraw/zinc/85/55/58/1078855558.db2.gz KCGJPXRYNAJPAU-UHFFFAOYSA-N 1 0 406.531 0.894 20 0 HCADRO C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000556594470 1078855229 /nfs/dbraw/zinc/85/52/29/1078855229.db2.gz MVCPCYOKCYHUQE-HNNXBMFYSA-N 1 0 404.515 0.901 20 0 HCADRO C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000556594471 1078855556 /nfs/dbraw/zinc/85/55/56/1078855556.db2.gz MVCPCYOKCYHUQE-OAHLLOKOSA-N 1 0 404.515 0.901 20 0 HCADRO C[S@@](=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000556594476 1078855578 /nfs/dbraw/zinc/85/55/78/1078855578.db2.gz NERRUTAVJNPDKA-MUUNZHRXSA-N 1 0 408.524 0.471 20 0 HCADRO C[S@](=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000556594478 1078855581 /nfs/dbraw/zinc/85/55/81/1078855581.db2.gz NERRUTAVJNPDKA-NDEPHWFRSA-N 1 0 408.524 0.471 20 0 HCADRO O=C(CNC(=O)C(=O)Nc1cnn(CC(F)F)c1)NCC[NH+]1CCCCCC1 ZINC000556594484 1078855234 /nfs/dbraw/zinc/85/52/34/1078855234.db2.gz AGZDDBPVZGASLE-UHFFFAOYSA-N 1 0 400.430 0.195 20 0 HCADRO CN1CCc2ccc(NC(=O)C(=O)NCC(=O)NCC[NH+]3CCCCCC3)cc21 ZINC000556594494 1078855221 /nfs/dbraw/zinc/85/52/21/1078855221.db2.gz NKZDGEZVQJBKHP-UHFFFAOYSA-N 1 0 401.511 0.726 20 0 HCADRO CCOC(=O)c1cc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1C ZINC000556594555 1078850455 /nfs/dbraw/zinc/85/04/55/1078850455.db2.gz BWPKFJTXSLSKFH-UHFFFAOYSA-N 1 0 421.498 0.249 20 0 HCADRO O=C(CNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1)NCC[NH+]1CCCCCC1 ZINC000556594615 1078850521 /nfs/dbraw/zinc/85/05/21/1078850521.db2.gz DNMWKARBKRLHQP-UHFFFAOYSA-N 1 0 412.494 0.919 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1F ZINC000556594785 1078851105 /nfs/dbraw/zinc/85/11/05/1078851105.db2.gz JBLDHORRXUAHAZ-UHFFFAOYSA-N 1 0 422.457 0.659 20 0 HCADRO Cc1nn(C)c2cc(NC(=O)C(=O)NCC(=O)NCC[NH+]3CCCCCC3)ccc12 ZINC000556594888 1078851183 /nfs/dbraw/zinc/85/11/83/1078851183.db2.gz ZAVQVHVARRBRAB-UHFFFAOYSA-N 1 0 414.510 0.929 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC1 ZINC000556594933 1078850818 /nfs/dbraw/zinc/85/08/18/1078850818.db2.gz BLCIMFGLFTWOEW-UHFFFAOYSA-N 1 0 422.501 0.470 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC1 ZINC000556594960 1078851133 /nfs/dbraw/zinc/85/11/33/1078851133.db2.gz CKVBYSLPTWWHCU-UHFFFAOYSA-N 1 0 410.540 0.392 20 0 HCADRO COc1ccc(OC)c(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000556595040 1078851155 /nfs/dbraw/zinc/85/11/55/1078851155.db2.gz NUTNQFXFVYAWRP-UHFFFAOYSA-N 1 0 406.483 0.751 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn2ccnc12 ZINC000556595062 1078851176 /nfs/dbraw/zinc/85/11/76/1078851176.db2.gz OPAXROBGPQGALH-UHFFFAOYSA-N 1 0 400.483 0.690 20 0 HCADRO O=C(CNC(=O)C(=O)Nc1cnc(CC2CC2)nc1)NCC[NH+]1CCCCCC1 ZINC000556595117 1078850855 /nfs/dbraw/zinc/85/08/55/1078850855.db2.gz PZEPRGAEULHKCX-UHFFFAOYSA-N 1 0 402.499 0.476 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)CC1 ZINC000556595287 1078850864 /nfs/dbraw/zinc/85/08/64/1078850864.db2.gz JJGRVECQWFLQBT-UHFFFAOYSA-N 1 0 408.499 0.232 20 0 HCADRO O=C(CNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)NCC[NH+]1CCCCCC1 ZINC000556595319 1078850859 /nfs/dbraw/zinc/85/08/59/1078850859.db2.gz RIFOBXXLGBVRHN-UHFFFAOYSA-N 1 0 413.482 0.314 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000556596176 1078851445 /nfs/dbraw/zinc/85/14/45/1078851445.db2.gz QIDFGRCFBXIZPV-UHFFFAOYSA-N 1 0 408.474 0.127 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000556596457 1078851556 /nfs/dbraw/zinc/85/15/56/1078851556.db2.gz TVFGQFZAJUKILW-UHFFFAOYSA-N 1 0 422.570 0.899 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000556596488 1078851547 /nfs/dbraw/zinc/85/15/47/1078851547.db2.gz USVZLCHQMSTIGX-HOTGVXAUSA-N 1 0 410.559 0.613 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000556596493 1078851538 /nfs/dbraw/zinc/85/15/38/1078851538.db2.gz USVZLCHQMSTIGX-HZPDHXFCSA-N 1 0 410.559 0.613 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556596494 1078851501 /nfs/dbraw/zinc/85/15/01/1078851501.db2.gz USVZLCHQMSTIGX-IYBDPMFKSA-N 1 0 410.559 0.613 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000556596612 1078851879 /nfs/dbraw/zinc/85/18/79/1078851879.db2.gz XDSIGKXMUCUICK-GOSISDBHSA-N 1 0 404.511 0.468 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000556596613 1078851905 /nfs/dbraw/zinc/85/19/05/1078851905.db2.gz XDSIGKXMUCUICK-SFHVURJKSA-N 1 0 404.511 0.468 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000556596618 1078851888 /nfs/dbraw/zinc/85/18/88/1078851888.db2.gz XIWWTKNLWJQHEA-GOSISDBHSA-N 1 0 422.570 0.711 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000556596620 1078851867 /nfs/dbraw/zinc/85/18/67/1078851867.db2.gz XIWWTKNLWJQHEA-SFHVURJKSA-N 1 0 422.570 0.711 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)NCc3nnc4n3CCCC4)CCCC2)CC1 ZINC000556602734 1078856249 /nfs/dbraw/zinc/85/62/49/1078856249.db2.gz QBKIAEFTHKZODD-UHFFFAOYSA-N 1 0 418.542 0.770 20 0 HCADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCc1nnc2n1CCCC2 ZINC000556602886 1078856276 /nfs/dbraw/zinc/85/62/76/1078856276.db2.gz DJFHQWKKKHREIJ-UHFFFAOYSA-N 1 0 402.474 0.960 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NCc2nnc3n2CCCC3)cc1 ZINC000556603074 1078860000 /nfs/dbraw/zinc/86/00/00/1078860000.db2.gz QNQYXHKCCPQCAF-UHFFFAOYSA-N 1 0 414.510 0.530 20 0 HCADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000556625720 1078866851 /nfs/dbraw/zinc/86/68/51/1078866851.db2.gz GWQSQHZEZODOHI-UHFFFAOYSA-N 1 0 418.542 0.364 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2coc3ccccc23)cn1 ZINC000556626054 1078866241 /nfs/dbraw/zinc/86/62/41/1078866241.db2.gz UALPTXVNQZZSTA-UHFFFAOYSA-N 1 0 412.450 0.562 20 0 HCADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000556626095 1078866229 /nfs/dbraw/zinc/86/62/29/1078866229.db2.gz LNQOFWNIGABFDB-KRWDZBQOSA-N 1 0 418.542 0.078 20 0 HCADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000556626099 1078866180 /nfs/dbraw/zinc/86/61/80/1078866180.db2.gz LNQOFWNIGABFDB-QGZVFWFLSA-N 1 0 418.542 0.078 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000556626434 1078874078 /nfs/dbraw/zinc/87/40/78/1078874078.db2.gz NDWBTLDDNQBALD-CVEARBPZSA-N 1 0 406.531 0.124 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000556626438 1078874154 /nfs/dbraw/zinc/87/41/54/1078874154.db2.gz NDWBTLDDNQBALD-HOTGVXAUSA-N 1 0 406.531 0.124 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000556626439 1078874100 /nfs/dbraw/zinc/87/41/00/1078874100.db2.gz NDWBTLDDNQBALD-HZPDHXFCSA-N 1 0 406.531 0.124 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000556626440 1078874108 /nfs/dbraw/zinc/87/41/08/1078874108.db2.gz NDWBTLDDNQBALD-JKSUJKDBSA-N 1 0 406.531 0.124 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[NH+]1CCC(C)CC1 ZINC000556627498 1078866804 /nfs/dbraw/zinc/86/68/04/1078866804.db2.gz VFXDLVWTSYVYAK-INIZCTEOSA-N 1 0 406.531 0.124 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[NH+]1CCC(C)CC1 ZINC000556627499 1078866885 /nfs/dbraw/zinc/86/68/85/1078866885.db2.gz VFXDLVWTSYVYAK-MRXNPFEDSA-N 1 0 406.531 0.124 20 0 HCADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000556627899 1078868520 /nfs/dbraw/zinc/86/85/20/1078868520.db2.gz WUVIJDVOWKBPIC-INIZCTEOSA-N 1 0 406.531 0.268 20 0 HCADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000556627905 1078868449 /nfs/dbraw/zinc/86/84/49/1078868449.db2.gz WUVIJDVOWKBPIC-MRXNPFEDSA-N 1 0 406.531 0.268 20 0 HCADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000556628257 1078868116 /nfs/dbraw/zinc/86/81/16/1078868116.db2.gz ZZDMQKFZTPKGDK-INIZCTEOSA-N 1 0 410.559 0.947 20 0 HCADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000556628261 1078868136 /nfs/dbraw/zinc/86/81/36/1078868136.db2.gz ZZDMQKFZTPKGDK-MRXNPFEDSA-N 1 0 410.559 0.947 20 0 HCADRO CC[NH+]1CCC(CCNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000556628649 1078875010 /nfs/dbraw/zinc/87/50/10/1078875010.db2.gz YQHLPPQGSCDNBK-UHFFFAOYSA-N 1 0 406.531 0.126 20 0 HCADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000556630002 1078875658 /nfs/dbraw/zinc/87/56/58/1078875658.db2.gz JGPVLTRTJQFHIB-KRWDZBQOSA-N 1 0 409.575 0.424 20 0 HCADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000556630019 1078875709 /nfs/dbraw/zinc/87/57/09/1078875709.db2.gz JGPVLTRTJQFHIB-QGZVFWFLSA-N 1 0 409.575 0.424 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCn1cccn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000556631302 1078876220 /nfs/dbraw/zinc/87/62/20/1078876220.db2.gz FMPVTIMGMWGRAK-HNNXBMFYSA-N 1 0 402.474 0.768 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCn1cccn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000556631304 1078876254 /nfs/dbraw/zinc/87/62/54/1078876254.db2.gz FMPVTIMGMWGRAK-OAHLLOKOSA-N 1 0 402.474 0.768 20 0 HCADRO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000556633257 1078877521 /nfs/dbraw/zinc/87/75/21/1078877521.db2.gz HLOXIPNYKSTOSJ-INIZCTEOSA-N 1 0 404.559 0.972 20 0 HCADRO Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000556633258 1078877622 /nfs/dbraw/zinc/87/76/22/1078877622.db2.gz HLOXIPNYKSTOSJ-MRXNPFEDSA-N 1 0 404.559 0.972 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cccc3c2OCCCO3)CC1 ZINC000556634264 1078878525 /nfs/dbraw/zinc/87/85/25/1078878525.db2.gz NTPGUIBCNFNLQD-UHFFFAOYSA-N 1 0 405.495 0.769 20 0 HCADRO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000556635223 1078879212 /nfs/dbraw/zinc/87/92/12/1078879212.db2.gz VGDWPLLMMSPUDG-BBWFWOEESA-N 1 0 404.559 0.923 20 0 HCADRO Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000556635224 1078879217 /nfs/dbraw/zinc/87/92/17/1078879217.db2.gz VGDWPLLMMSPUDG-IXDOHACOSA-N 1 0 404.559 0.923 20 0 HCADRO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000556635225 1078879171 /nfs/dbraw/zinc/87/91/71/1078879171.db2.gz VGDWPLLMMSPUDG-ULQDDVLXSA-N 1 0 404.559 0.923 20 0 HCADRO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000556635226 1078879135 /nfs/dbraw/zinc/87/91/35/1078879135.db2.gz VGDWPLLMMSPUDG-ZACQAIPSSA-N 1 0 404.559 0.923 20 0 HCADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000556637678 1078881013 /nfs/dbraw/zinc/88/10/13/1078881013.db2.gz DEVKIJDQQNEAGF-NSHGMRRFSA-N 1 0 404.555 0.843 20 0 HCADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000556637683 1078881057 /nfs/dbraw/zinc/88/10/57/1078881057.db2.gz DEVKIJDQQNEAGF-WSTZPKSXSA-N 1 0 404.555 0.843 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)CC2 ZINC000556637691 1078881352 /nfs/dbraw/zinc/88/13/52/1078881352.db2.gz DFRPACAJAUMFFQ-DLBZAZTESA-N 1 0 414.510 0.145 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)CC2 ZINC000556637697 1078874711 /nfs/dbraw/zinc/87/47/11/1078874711.db2.gz DFRPACAJAUMFFQ-IAGOWNOFSA-N 1 0 414.510 0.145 20 0 HCADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)CC2 ZINC000556637698 1078874768 /nfs/dbraw/zinc/87/47/68/1078874768.db2.gz DFRPACAJAUMFFQ-IRXDYDNUSA-N 1 0 414.510 0.145 20 0 HCADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000556637762 1078874779 /nfs/dbraw/zinc/87/47/79/1078874779.db2.gz GSVYEOSLWZGHFZ-INIZCTEOSA-N 1 0 401.511 0.896 20 0 HCADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000556637763 1078874682 /nfs/dbraw/zinc/87/46/82/1078874682.db2.gz GSVYEOSLWZGHFZ-MRXNPFEDSA-N 1 0 401.511 0.896 20 0 HCADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000556637988 1078874506 /nfs/dbraw/zinc/87/45/06/1078874506.db2.gz BPRGXXQVSUGEJS-HNNXBMFYSA-N 1 0 402.561 0.294 20 0 HCADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000556637990 1078874475 /nfs/dbraw/zinc/87/44/75/1078874475.db2.gz BPRGXXQVSUGEJS-OAHLLOKOSA-N 1 0 402.561 0.294 20 0 HCADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)CC2 ZINC000556638462 1078881400 /nfs/dbraw/zinc/88/14/00/1078881400.db2.gz DFRPACAJAUMFFQ-SJORKVTESA-N 1 0 414.510 0.145 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000556638858 1078883410 /nfs/dbraw/zinc/88/34/10/1078883410.db2.gz MIOJZLPSGYECOC-GOSISDBHSA-N 1 0 402.539 0.992 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000556638867 1078883144 /nfs/dbraw/zinc/88/31/44/1078883144.db2.gz MIOJZLPSGYECOC-SFHVURJKSA-N 1 0 402.539 0.992 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000556639607 1078884156 /nfs/dbraw/zinc/88/41/56/1078884156.db2.gz NPQJAZQKVWTYPP-GOSISDBHSA-N 1 0 414.485 0.553 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000556639609 1078884130 /nfs/dbraw/zinc/88/41/30/1078884130.db2.gz NPQJAZQKVWTYPP-SFHVURJKSA-N 1 0 414.485 0.553 20 0 HCADRO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000556639626 1078884167 /nfs/dbraw/zinc/88/41/67/1078884167.db2.gz NWFQITBIAUISRO-MOPGFXCFSA-N 1 0 412.538 0.794 20 0 HCADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000556639634 1078884651 /nfs/dbraw/zinc/88/46/51/1078884651.db2.gz NWFQITBIAUISRO-OALUTQOASA-N 1 0 412.538 0.794 20 0 HCADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000556639636 1078884454 /nfs/dbraw/zinc/88/44/54/1078884454.db2.gz NWFQITBIAUISRO-RBUKOAKNSA-N 1 0 412.538 0.794 20 0 HCADRO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000556639637 1078884555 /nfs/dbraw/zinc/88/45/55/1078884555.db2.gz NWFQITBIAUISRO-RTBURBONSA-N 1 0 412.538 0.794 20 0 HCADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000556639837 1078884187 /nfs/dbraw/zinc/88/41/87/1078884187.db2.gz JXYBEPDMMWIXBT-UHFFFAOYSA-N 1 0 406.502 0.980 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000556640366 1078883478 /nfs/dbraw/zinc/88/34/78/1078883478.db2.gz RIHOJPHNLFXYKM-MSOLQXFVSA-N 1 0 424.567 0.063 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000556640367 1078883615 /nfs/dbraw/zinc/88/36/15/1078883615.db2.gz RIHOJPHNLFXYKM-QZTJIDSGSA-N 1 0 424.567 0.063 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000556640368 1078883464 /nfs/dbraw/zinc/88/34/64/1078883464.db2.gz RIHOJPHNLFXYKM-ROUUACIJSA-N 1 0 424.567 0.063 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000556640369 1078883534 /nfs/dbraw/zinc/88/35/34/1078883534.db2.gz RIHOJPHNLFXYKM-ZWKOTPCHSA-N 1 0 424.567 0.063 20 0 HCADRO Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)CC2)on1 ZINC000556640970 1078885032 /nfs/dbraw/zinc/88/50/32/1078885032.db2.gz UPOTZFFUYFNDMG-IBGZPJMESA-N 1 0 413.522 0.916 20 0 HCADRO Cc1cc(CN2CCN(C(=O)C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)CC2)on1 ZINC000556640977 1078885281 /nfs/dbraw/zinc/88/52/81/1078885281.db2.gz UPOTZFFUYFNDMG-LJQANCHMSA-N 1 0 413.522 0.916 20 0 HCADRO COc1ccnc(N2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)n1 ZINC000556641656 1078886621 /nfs/dbraw/zinc/88/66/21/1078886621.db2.gz PLDOXTSSGKSPHY-UHFFFAOYSA-N 1 0 404.515 0.513 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000556642225 1078886234 /nfs/dbraw/zinc/88/62/34/1078886234.db2.gz YJMRYKDPMNUMSD-PMACEKPBSA-N 1 0 403.523 0.930 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000556642228 1078886242 /nfs/dbraw/zinc/88/62/42/1078886242.db2.gz YJMRYKDPMNUMSD-UXHICEINSA-N 1 0 403.523 0.930 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](COCC2CC2)C1 ZINC000556642230 1078886269 /nfs/dbraw/zinc/88/62/69/1078886269.db2.gz YJMRYKDPMNUMSD-VQTJNVASSA-N 1 0 403.523 0.930 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](COCC2CC2)C1 ZINC000556642232 1078886216 /nfs/dbraw/zinc/88/62/16/1078886216.db2.gz YJMRYKDPMNUMSD-WOJBJXKFSA-N 1 0 403.523 0.930 20 0 HCADRO Cn1cc(CN2CCN(C(=O)C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)CC2)cn1 ZINC000556642912 1078887419 /nfs/dbraw/zinc/88/74/19/1078887419.db2.gz YSXDJUATYJDWSU-FQEVSTJZSA-N 1 0 412.538 0.353 20 0 HCADRO Cn1cc(CN2CCN(C(=O)C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)CC2)cn1 ZINC000556642913 1078887447 /nfs/dbraw/zinc/88/74/47/1078887447.db2.gz YSXDJUATYJDWSU-HXUWFJFHSA-N 1 0 412.538 0.353 20 0 HCADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000556643098 1078887023 /nfs/dbraw/zinc/88/70/23/1078887023.db2.gz DKOVDJXXGQIFLA-UHFFFAOYSA-N 1 0 403.527 0.578 20 0 HCADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000556643296 1078887009 /nfs/dbraw/zinc/88/70/09/1078887009.db2.gz MPOLRGHKUZSHEB-AEFFLSMTSA-N 1 0 418.542 0.718 20 0 HCADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)CC1 ZINC000556643612 1078887862 /nfs/dbraw/zinc/88/78/62/1078887862.db2.gz YMLAQTGNWGIQOJ-UHFFFAOYSA-N 1 0 421.586 0.378 20 0 HCADRO Cc1nccc(CNC(=O)C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000556644382 1078887771 /nfs/dbraw/zinc/88/77/71/1078887771.db2.gz FDXDJMLTNUBYNE-UHFFFAOYSA-N 1 0 410.522 0.677 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCCCn2ccnc2)CC1 ZINC000556645800 1078889449 /nfs/dbraw/zinc/88/94/49/1078889449.db2.gz OMBYGNRQLKMESJ-KDURUIRLSA-N 1 0 404.559 0.797 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCCCn2ccnc2)CC1 ZINC000556645801 1078889389 /nfs/dbraw/zinc/88/93/89/1078889389.db2.gz OMBYGNRQLKMESJ-OALUTQOASA-N 1 0 404.559 0.797 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCCCn2ccnc2)CC1 ZINC000556645802 1078889347 /nfs/dbraw/zinc/88/93/47/1078889347.db2.gz OMBYGNRQLKMESJ-RTBURBONSA-N 1 0 404.559 0.797 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc3c2OCO3)CC1 ZINC000556646584 1078888997 /nfs/dbraw/zinc/88/89/97/1078888997.db2.gz WIGCSXROQFFGMR-UHFFFAOYSA-N 1 0 404.467 0.090 20 0 HCADRO CCN(CCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC000556647906 1078882451 /nfs/dbraw/zinc/88/24/51/1078882451.db2.gz CDJZZTUGWPMOAI-HOTGVXAUSA-N 1 0 418.604 0.647 20 0 HCADRO CCN(CCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)S(C)(=O)=O ZINC000556647908 1078882497 /nfs/dbraw/zinc/88/24/97/1078882497.db2.gz CDJZZTUGWPMOAI-HZPDHXFCSA-N 1 0 418.604 0.647 20 0 HCADRO CCN(CCCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC000556647910 1078882536 /nfs/dbraw/zinc/88/25/36/1078882536.db2.gz CDJZZTUGWPMOAI-IYBDPMFKSA-N 1 0 418.604 0.647 20 0 HCADRO CCN(CCCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)S(C)(=O)=O ZINC000556647924 1078882485 /nfs/dbraw/zinc/88/24/85/1078882485.db2.gz CLKXVEWIEKEDDP-MRXNPFEDSA-N 1 0 402.561 0.251 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NCc2ccnc(C)n2)CC1 ZINC000556648017 1078882460 /nfs/dbraw/zinc/88/24/60/1078882460.db2.gz KKWIOOPKZPOIRS-UHFFFAOYSA-N 1 0 418.542 0.488 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)NCc3cccc4c3OCO4)CC2)CC1 ZINC000556648486 1078882099 /nfs/dbraw/zinc/88/20/99/1078882099.db2.gz NMQDIQGOJDPESH-UHFFFAOYSA-N 1 0 402.495 0.518 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)[NH+](C)C)cc1 ZINC000556651384 1078896334 /nfs/dbraw/zinc/89/63/34/1078896334.db2.gz GYLNUUGXPSACKR-MSOLQXFVSA-N 1 0 401.511 0.776 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)[NH+](C)C)cc1 ZINC000556651386 1078896323 /nfs/dbraw/zinc/89/63/23/1078896323.db2.gz GYLNUUGXPSACKR-QZTJIDSGSA-N 1 0 401.511 0.776 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)[NH+](C)C)cc1 ZINC000556651390 1078896354 /nfs/dbraw/zinc/89/63/54/1078896354.db2.gz GYLNUUGXPSACKR-ROUUACIJSA-N 1 0 401.511 0.776 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)[NH+](C)C)cc1 ZINC000556651393 1078896686 /nfs/dbraw/zinc/89/66/86/1078896686.db2.gz GYLNUUGXPSACKR-ZWKOTPCHSA-N 1 0 401.511 0.776 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)[NH+](C)C)cc1 ZINC000556651563 1078896287 /nfs/dbraw/zinc/89/62/87/1078896287.db2.gz HYSPUMJERALSJZ-IBGZPJMESA-N 1 0 415.538 0.137 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)[NH+](C)C)cc1 ZINC000556651564 1078896311 /nfs/dbraw/zinc/89/63/11/1078896311.db2.gz HYSPUMJERALSJZ-LJQANCHMSA-N 1 0 415.538 0.137 20 0 HCADRO CCn1nccc1CN(CCO)C(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000556651606 1078896724 /nfs/dbraw/zinc/89/67/24/1078896724.db2.gz JLYPGBADJIMWKW-IBGZPJMESA-N 1 0 401.511 0.951 20 0 HCADRO CCn1nccc1CN(CCO)C(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000556651607 1078896757 /nfs/dbraw/zinc/89/67/57/1078896757.db2.gz JLYPGBADJIMWKW-LJQANCHMSA-N 1 0 401.511 0.951 20 0 HCADRO Cc1nccc(CNC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000556651631 1078897113 /nfs/dbraw/zinc/89/71/13/1078897113.db2.gz KBXJOSWBPRPYFH-UHFFFAOYSA-N 1 0 404.515 0.144 20 0 HCADRO CCN(CCCNC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)S(C)(=O)=O ZINC000556651757 1078897449 /nfs/dbraw/zinc/89/74/49/1078897449.db2.gz NQCCFWFDJNJUOO-UHFFFAOYSA-N 1 0 416.588 0.497 20 0 HCADRO Cc1nccc(CNC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1 ZINC000556651820 1078897587 /nfs/dbraw/zinc/89/75/87/1078897587.db2.gz PIAWGFYMFGAIQU-UHFFFAOYSA-N 1 0 418.542 0.344 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)[NH+](C)C)cc1 ZINC000556652197 1078897087 /nfs/dbraw/zinc/89/70/87/1078897087.db2.gz CIQUXZVEYRTCSM-IBGZPJMESA-N 1 0 412.490 0.894 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)[NH+](C)C)cc1 ZINC000556652198 1078897172 /nfs/dbraw/zinc/89/71/72/1078897172.db2.gz CIQUXZVEYRTCSM-LJQANCHMSA-N 1 0 412.490 0.894 20 0 HCADRO Cc1ccn2cc(CNC(=O)C(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)nc2c1 ZINC000556653118 1078898076 /nfs/dbraw/zinc/89/80/76/1078898076.db2.gz NWUUXFOVQBURIF-UHFFFAOYSA-N 1 0 412.538 0.745 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)[NH+](C)C)cc1 ZINC000556653185 1078898019 /nfs/dbraw/zinc/89/80/19/1078898019.db2.gz DMLOIDVUUCNFOT-IBGZPJMESA-N 1 0 417.554 0.383 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)[NH+](C)C)cc1 ZINC000556653186 1078898081 /nfs/dbraw/zinc/89/80/81/1078898081.db2.gz DMLOIDVUUCNFOT-LJQANCHMSA-N 1 0 417.554 0.383 20 0 HCADRO O=C(COc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1)NC1CC1 ZINC000556655103 1078891174 /nfs/dbraw/zinc/89/11/74/1078891174.db2.gz KUNLCTMSBAHRHH-KRWDZBQOSA-N 1 0 414.506 0.356 20 0 HCADRO O=C(COc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1)NC1CC1 ZINC000556655114 1078891161 /nfs/dbraw/zinc/89/11/61/1078891161.db2.gz KUNLCTMSBAHRHH-QGZVFWFLSA-N 1 0 414.506 0.356 20 0 HCADRO CC[N@@H+]1CCCN(C(=O)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC000556655166 1078891286 /nfs/dbraw/zinc/89/12/86/1078891286.db2.gz LEADYKRITSSJBC-UHFFFAOYSA-N 1 0 416.522 0.557 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)[NH+](C)C)cc1 ZINC000556655730 1078891601 /nfs/dbraw/zinc/89/16/01/1078891601.db2.gz OTRDXXWVSYQZSR-FQEVSTJZSA-N 1 0 412.538 0.792 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)[NH+](C)C)cc1 ZINC000556655732 1078891749 /nfs/dbraw/zinc/89/17/49/1078891749.db2.gz OTRDXXWVSYQZSR-HXUWFJFHSA-N 1 0 412.538 0.792 20 0 HCADRO Cc1ccn2cc(CNC(=O)C(=O)N(C)CCN(C)C3CC[NH+](C)CC3)nc2c1 ZINC000556655926 1078891630 /nfs/dbraw/zinc/89/16/30/1078891630.db2.gz QHBNDNBCSZFOLQ-UHFFFAOYSA-N 1 0 400.527 0.743 20 0 HCADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000556656137 1078891664 /nfs/dbraw/zinc/89/16/64/1078891664.db2.gz VPEJIZGHTQBGAL-DFQSSKMNSA-N 1 0 421.538 0.586 20 0 HCADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000556656138 1078891643 /nfs/dbraw/zinc/89/16/43/1078891643.db2.gz VPEJIZGHTQBGAL-MISYRCLQSA-N 1 0 421.538 0.586 20 0 HCADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000556656139 1078891732 /nfs/dbraw/zinc/89/17/32/1078891732.db2.gz VPEJIZGHTQBGAL-RLLQIKCJSA-N 1 0 421.538 0.586 20 0 HCADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000556656140 1078891672 /nfs/dbraw/zinc/89/16/72/1078891672.db2.gz VPEJIZGHTQBGAL-SXLOBPIMSA-N 1 0 421.538 0.586 20 0 HCADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000556661131 1078899121 /nfs/dbraw/zinc/89/91/21/1078899121.db2.gz KABXNQRYHVZTMC-UHFFFAOYSA-N 1 0 413.316 0.705 20 0 HCADRO CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000556685755 1078909829 /nfs/dbraw/zinc/90/98/29/1078909829.db2.gz YUQUQRJBVPXZHE-IBGZPJMESA-N 1 0 417.554 0.804 20 0 HCADRO CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000556685756 1078909920 /nfs/dbraw/zinc/90/99/20/1078909920.db2.gz YUQUQRJBVPXZHE-LJQANCHMSA-N 1 0 417.554 0.804 20 0 HCADRO CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000556685994 1078909662 /nfs/dbraw/zinc/90/96/62/1078909662.db2.gz WBKOFURZVGXWHB-KRWDZBQOSA-N 1 0 415.538 0.955 20 0 HCADRO CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000556685995 1078909885 /nfs/dbraw/zinc/90/98/85/1078909885.db2.gz WBKOFURZVGXWHB-QGZVFWFLSA-N 1 0 415.538 0.955 20 0 HCADRO CNS(=O)(=O)NC1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000556791322 1078961610 /nfs/dbraw/zinc/96/16/10/1078961610.db2.gz QHSZVPKOTNLILH-UHFFFAOYSA-N 1 0 412.581 0.894 20 0 HCADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)cc2)CC1 ZINC000556797335 1078968175 /nfs/dbraw/zinc/96/81/75/1078968175.db2.gz ZWHADLZIOWSZDM-UHFFFAOYSA-N 1 0 422.533 0.890 20 0 HCADRO O=S(=O)(CC1CC1)NCCN(CC[NH+]1CCCCC1)S(=O)(=O)CC1CC1 ZINC000556818231 1078988279 /nfs/dbraw/zinc/98/82/79/1078988279.db2.gz NHPDXLONYYVSAZ-UHFFFAOYSA-N 1 0 407.602 0.844 20 0 HCADRO OCCNc1nc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc2ccccc21 ZINC000556825363 1078984281 /nfs/dbraw/zinc/98/42/81/1078984281.db2.gz VTRUPMXUQRJRSL-UHFFFAOYSA-N 1 0 422.537 0.682 20 0 HCADRO CN(CCN(CC[NH+]1CCCCC1)C(=O)c1cn(C)cn1)C(=O)c1cn(C)cn1 ZINC000556841692 1079004200 /nfs/dbraw/zinc/00/42/00/1079004200.db2.gz GQBFUYUINQFOTR-UHFFFAOYSA-N 1 0 401.515 0.854 20 0 HCADRO CN(CCN(CC[NH+]1CCCCC1)C(=O)c1cnn(C)c1)C(=O)c1cnn(C)c1 ZINC000556841961 1079004956 /nfs/dbraw/zinc/00/49/56/1079004956.db2.gz KZYOLAOCQXOTBZ-UHFFFAOYSA-N 1 0 401.515 0.854 20 0 HCADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000556849740 1079006661 /nfs/dbraw/zinc/00/66/61/1079006661.db2.gz AFARNWOKLDWPMR-JXFKEZNVSA-N 1 0 407.536 0.660 20 0 HCADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000556849745 1079006574 /nfs/dbraw/zinc/00/65/74/1079006574.db2.gz AFARNWOKLDWPMR-OXJNMPFZSA-N 1 0 407.536 0.660 20 0 HCADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000556849746 1079006533 /nfs/dbraw/zinc/00/65/33/1079006533.db2.gz AFARNWOKLDWPMR-OXQOHEQNSA-N 1 0 407.536 0.660 20 0 HCADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000556849748 1079006601 /nfs/dbraw/zinc/00/66/01/1079006601.db2.gz AFARNWOKLDWPMR-UZLBHIALSA-N 1 0 407.536 0.660 20 0 HCADRO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000556850005 1079007005 /nfs/dbraw/zinc/00/70/05/1079007005.db2.gz FWPTYJSQFDNUFX-INIZCTEOSA-N 1 0 421.441 0.557 20 0 HCADRO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000556850012 1079006955 /nfs/dbraw/zinc/00/69/55/1079006955.db2.gz FWPTYJSQFDNUFX-MRXNPFEDSA-N 1 0 421.441 0.557 20 0 HCADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000556850085 1079007054 /nfs/dbraw/zinc/00/70/54/1079007054.db2.gz JGABHGBZKIAVLW-FXAWDEMLSA-N 1 0 423.535 0.330 20 0 HCADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000556850086 1079006916 /nfs/dbraw/zinc/00/69/16/1079006916.db2.gz JGABHGBZKIAVLW-PXNSSMCTSA-N 1 0 423.535 0.330 20 0 HCADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000556850087 1079007135 /nfs/dbraw/zinc/00/71/35/1079007135.db2.gz JGABHGBZKIAVLW-XLIONFOSSA-N 1 0 423.535 0.330 20 0 HCADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000556850088 1079007647 /nfs/dbraw/zinc/00/76/47/1079007647.db2.gz JGABHGBZKIAVLW-YLJYHZDGSA-N 1 0 423.535 0.330 20 0 HCADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1 ZINC000556850571 1079007192 /nfs/dbraw/zinc/00/71/92/1079007192.db2.gz OXPOTELBALVHKJ-IBGZPJMESA-N 1 0 409.508 0.131 20 0 HCADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1 ZINC000556850577 1079007030 /nfs/dbraw/zinc/00/70/30/1079007030.db2.gz OXPOTELBALVHKJ-LJQANCHMSA-N 1 0 409.508 0.131 20 0 HCADRO O=C(CNC(=O)c1ccc(Br)s1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000556850734 1079007179 /nfs/dbraw/zinc/00/71/79/1079007179.db2.gz KWDYKIMFXYRVOD-HNNXBMFYSA-N 1 0 402.314 0.813 20 0 HCADRO O=C(CNC(=O)c1ccc(Br)s1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000556850738 1079006982 /nfs/dbraw/zinc/00/69/82/1079006982.db2.gz KWDYKIMFXYRVOD-OAHLLOKOSA-N 1 0 402.314 0.813 20 0 HCADRO O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000556850971 1079007585 /nfs/dbraw/zinc/00/75/85/1079007585.db2.gz XPHKEFFGAQNCJO-GOSISDBHSA-N 1 0 424.295 0.747 20 0 HCADRO O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000556850974 1079007356 /nfs/dbraw/zinc/00/73/56/1079007356.db2.gz XPHKEFFGAQNCJO-SFHVURJKSA-N 1 0 424.295 0.747 20 0 HCADRO COc1ccc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1S(=O)(=O)N1CCCC1 ZINC000556851435 1079007562 /nfs/dbraw/zinc/00/75/62/1079007562.db2.gz QEPTVWONDMTFSP-FQEVSTJZSA-N 1 0 423.535 0.666 20 0 HCADRO COc1ccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1S(=O)(=O)N1CCCC1 ZINC000556851440 1079007406 /nfs/dbraw/zinc/00/74/06/1079007406.db2.gz QEPTVWONDMTFSP-HXUWFJFHSA-N 1 0 423.535 0.666 20 0 HCADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000556851455 1079007542 /nfs/dbraw/zinc/00/75/42/1079007542.db2.gz QKSYCCLRPATYJW-FQEVSTJZSA-N 1 0 407.536 0.660 20 0 HCADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000556851456 1079007632 /nfs/dbraw/zinc/00/76/32/1079007632.db2.gz QKSYCCLRPATYJW-HXUWFJFHSA-N 1 0 407.536 0.660 20 0 HCADRO O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000556851751 1079007504 /nfs/dbraw/zinc/00/75/04/1079007504.db2.gz XGFXYWPSXMTAOE-NRFANRHFSA-N 1 0 421.563 0.807 20 0 HCADRO O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000556851753 1079007464 /nfs/dbraw/zinc/00/74/64/1079007464.db2.gz XGFXYWPSXMTAOE-OAQYLSRUSA-N 1 0 421.563 0.807 20 0 HCADRO Cn1cc([C@@H]2[C@H](C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)CC(=O)N2C(C)(C)C)cn1 ZINC000556852384 1079007898 /nfs/dbraw/zinc/00/78/98/1079007898.db2.gz BCGGBSZNSLUABN-BLIXFSHQSA-N 1 0 403.527 0.681 20 0 HCADRO Cn1cc([C@@H]2[C@@H](C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)CC(=O)N2C(C)(C)C)cn1 ZINC000556852385 1079008087 /nfs/dbraw/zinc/00/80/87/1079008087.db2.gz BCGGBSZNSLUABN-CDXJDZJCSA-N 1 0 403.527 0.681 20 0 HCADRO Cn1cc([C@@H]2[C@H](C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)CC(=O)N2C(C)(C)C)cn1 ZINC000556852386 1079008046 /nfs/dbraw/zinc/00/80/46/1079008046.db2.gz BCGGBSZNSLUABN-HGHGUNKESA-N 1 0 403.527 0.681 20 0 HCADRO Cn1cc([C@@H]2[C@@H](C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)CC(=O)N2C(C)(C)C)cn1 ZINC000556852387 1079007813 /nfs/dbraw/zinc/00/78/13/1079007813.db2.gz BCGGBSZNSLUABN-YRISNDGFSA-N 1 0 403.527 0.681 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1 ZINC000556852398 1079008024 /nfs/dbraw/zinc/00/80/24/1079008024.db2.gz COIZWCGGBPAVMK-IBGZPJMESA-N 1 0 411.524 0.106 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1 ZINC000556852399 1079007859 /nfs/dbraw/zinc/00/78/59/1079007859.db2.gz COIZWCGGBPAVMK-LJQANCHMSA-N 1 0 411.524 0.106 20 0 HCADRO CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1 ZINC000556852860 1079008010 /nfs/dbraw/zinc/00/80/10/1079008010.db2.gz RDYVANZDYYQXGX-IBGZPJMESA-N 1 0 411.524 0.327 20 0 HCADRO CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1 ZINC000556852861 1079008307 /nfs/dbraw/zinc/00/83/07/1079008307.db2.gz RDYVANZDYYQXGX-LJQANCHMSA-N 1 0 411.524 0.327 20 0 HCADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)C[C@@H](C)O1 ZINC000556854959 1079009260 /nfs/dbraw/zinc/00/92/60/1079009260.db2.gz ZKCHFNKRILYTKJ-DBXWQHBBSA-N 1 0 404.555 0.634 20 0 HCADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)C[C@H](C)O1 ZINC000556854960 1079009086 /nfs/dbraw/zinc/00/90/86/1079009086.db2.gz ZKCHFNKRILYTKJ-LVCYWYKZSA-N 1 0 404.555 0.634 20 0 HCADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)C[C@@H](C)O1 ZINC000556854961 1079009241 /nfs/dbraw/zinc/00/92/41/1079009241.db2.gz ZKCHFNKRILYTKJ-OPYAIIAOSA-N 1 0 404.555 0.634 20 0 HCADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)C[C@H](C)O1 ZINC000556854962 1079009303 /nfs/dbraw/zinc/00/93/03/1079009303.db2.gz ZKCHFNKRILYTKJ-UEXGIBASSA-N 1 0 404.555 0.634 20 0 HCADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)CC1 ZINC000556855633 1079008870 /nfs/dbraw/zinc/00/88/70/1079008870.db2.gz ZZYGNPVEPCNODG-GOSISDBHSA-N 1 0 416.588 0.496 20 0 HCADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)CC1 ZINC000556855634 1079008892 /nfs/dbraw/zinc/00/88/92/1079008892.db2.gz ZZYGNPVEPCNODG-SFHVURJKSA-N 1 0 416.588 0.496 20 0 HCADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CNC(=O)c2cccc(OC)c2)CC1 ZINC000556856486 1079009176 /nfs/dbraw/zinc/00/91/76/1079009176.db2.gz FLIJCLLCIHHBBH-UHFFFAOYSA-N 1 0 404.511 0.874 20 0 HCADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CNC(=O)COc2ccccc2)CC1 ZINC000556856604 1079009324 /nfs/dbraw/zinc/00/93/24/1079009324.db2.gz ZCOQPTKJKJTNKU-UHFFFAOYSA-N 1 0 404.511 0.631 20 0 HCADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CN2C(=O)COc3ccccc32)CC1 ZINC000556856909 1079011599 /nfs/dbraw/zinc/01/15/99/1079011599.db2.gz SRBSTWMKCOCIOM-UHFFFAOYSA-N 1 0 402.495 0.861 20 0 HCADRO CCn1c(=O)[nH]c2cc(C(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)ccc2c1=O ZINC000556869287 1079016870 /nfs/dbraw/zinc/01/68/70/1079016870.db2.gz GIEZYRBKGGBBQH-KRWDZBQOSA-N 1 0 413.478 0.547 20 0 HCADRO CCn1c(=O)[nH]c2cc(C(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)ccc2c1=O ZINC000556869288 1079017102 /nfs/dbraw/zinc/01/71/02/1079017102.db2.gz GIEZYRBKGGBBQH-QGZVFWFLSA-N 1 0 413.478 0.547 20 0 HCADRO CN1CC[C@H]([NH+]2CCC(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)C1=O ZINC000556869759 1079016460 /nfs/dbraw/zinc/01/64/60/1079016460.db2.gz KCFMWKVKOKFTSO-INIZCTEOSA-N 1 0 419.526 0.395 20 0 HCADRO CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000556869767 1079017000 /nfs/dbraw/zinc/01/70/00/1079017000.db2.gz BBFRLVSAVIWCIT-CVEARBPZSA-N 1 0 422.551 0.942 20 0 HCADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)C1=O ZINC000556869768 1079016935 /nfs/dbraw/zinc/01/69/35/1079016935.db2.gz KCFMWKVKOKFTSO-MRXNPFEDSA-N 1 0 419.526 0.395 20 0 HCADRO CSCC[C@H](NC(=O)c1ccco1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000556869770 1079017138 /nfs/dbraw/zinc/01/71/38/1079017138.db2.gz BBFRLVSAVIWCIT-HOTGVXAUSA-N 1 0 422.551 0.942 20 0 HCADRO CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000556869773 1079017079 /nfs/dbraw/zinc/01/70/79/1079017079.db2.gz BBFRLVSAVIWCIT-HZPDHXFCSA-N 1 0 422.551 0.942 20 0 HCADRO CSCC[C@H](NC(=O)c1ccco1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000556869776 1079016955 /nfs/dbraw/zinc/01/69/55/1079016955.db2.gz BBFRLVSAVIWCIT-JKSUJKDBSA-N 1 0 422.551 0.942 20 0 HCADRO CC(C)NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC000556869806 1079017017 /nfs/dbraw/zinc/01/70/17/1079017017.db2.gz KGZXCBCKIGKQNX-GOSISDBHSA-N 1 0 422.551 0.798 20 0 HCADRO CC(C)NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1 ZINC000556869810 1079016906 /nfs/dbraw/zinc/01/69/06/1079016906.db2.gz KGZXCBCKIGKQNX-SFHVURJKSA-N 1 0 422.551 0.798 20 0 HCADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)CC2)C1=O ZINC000556869870 1079017857 /nfs/dbraw/zinc/01/78/57/1079017857.db2.gz LHWLMFJMLXHAAK-KBXCAEBGSA-N 1 0 402.470 0.990 20 0 HCADRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)CC2)C1=O ZINC000556869878 1079017956 /nfs/dbraw/zinc/01/79/56/1079017956.db2.gz LHWLMFJMLXHAAK-KDOFPFPSSA-N 1 0 402.470 0.990 20 0 HCADRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)CC2)C1=O ZINC000556869883 1079017767 /nfs/dbraw/zinc/01/77/67/1079017767.db2.gz LHWLMFJMLXHAAK-KSSFIOAISA-N 1 0 402.470 0.990 20 0 HCADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)CC2)C1=O ZINC000556869886 1079018027 /nfs/dbraw/zinc/01/80/27/1079018027.db2.gz LHWLMFJMLXHAAK-RDTXWAMCSA-N 1 0 402.470 0.990 20 0 HCADRO Cc1sc2ncn(CC(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)c(=O)c2c1C ZINC000556870090 1079017508 /nfs/dbraw/zinc/01/75/08/1079017508.db2.gz MUSUDWJLNLJWLH-HNNXBMFYSA-N 1 0 417.535 0.886 20 0 HCADRO Cc1sc2ncn(CC(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)c(=O)c2c1C ZINC000556870093 1079017386 /nfs/dbraw/zinc/01/73/86/1079017386.db2.gz MUSUDWJLNLJWLH-OAHLLOKOSA-N 1 0 417.535 0.886 20 0 HCADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)CC2)C1=O ZINC000556870119 1079017444 /nfs/dbraw/zinc/01/74/44/1079017444.db2.gz NHCYYKRVRSUKCN-GOSISDBHSA-N 1 0 420.535 0.434 20 0 HCADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)CC2)C1=O ZINC000556870121 1079017408 /nfs/dbraw/zinc/01/74/08/1079017408.db2.gz NHCYYKRVRSUKCN-SFHVURJKSA-N 1 0 420.535 0.434 20 0 HCADRO CN1CC[C@H]([NH+]2CCC(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)CC2)C1=O ZINC000556871458 1079017814 /nfs/dbraw/zinc/01/78/14/1079017814.db2.gz LUMJYWMIJGGRJN-HNNXBMFYSA-N 1 0 405.499 0.052 20 0 HCADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)CC2)C1=O ZINC000556871468 1079017988 /nfs/dbraw/zinc/01/79/88/1079017988.db2.gz LUMJYWMIJGGRJN-OAHLLOKOSA-N 1 0 405.499 0.052 20 0 HCADRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCN(c4ccc(F)cc4)C3=O)CC2)C1=O ZINC000556872793 1079018339 /nfs/dbraw/zinc/01/83/39/1079018339.db2.gz RKLUVLBWKZYFAI-MSOLQXFVSA-N 1 0 402.470 0.990 20 0 HCADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CCN(c4ccc(F)cc4)C3=O)CC2)C1=O ZINC000556872794 1079018324 /nfs/dbraw/zinc/01/83/24/1079018324.db2.gz RKLUVLBWKZYFAI-QZTJIDSGSA-N 1 0 402.470 0.990 20 0 HCADRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCN(c4ccc(F)cc4)C3=O)CC2)C1=O ZINC000556872795 1079018432 /nfs/dbraw/zinc/01/84/32/1079018432.db2.gz RKLUVLBWKZYFAI-ROUUACIJSA-N 1 0 402.470 0.990 20 0 HCADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CCN(c4ccc(F)cc4)C3=O)CC2)C1=O ZINC000556872796 1079018411 /nfs/dbraw/zinc/01/84/11/1079018411.db2.gz RKLUVLBWKZYFAI-ZWKOTPCHSA-N 1 0 402.470 0.990 20 0 HCADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000556884210 1079020523 /nfs/dbraw/zinc/02/05/23/1079020523.db2.gz HHAMMBCQASHRAG-AWEZNQCLSA-N 1 0 424.523 0.710 20 0 HCADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000556884216 1079020419 /nfs/dbraw/zinc/02/04/19/1079020419.db2.gz HHAMMBCQASHRAG-CQSZACIVSA-N 1 0 424.523 0.710 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000556900236 1079027062 /nfs/dbraw/zinc/02/70/62/1079027062.db2.gz FBUSENVXOIVSDI-INIZCTEOSA-N 1 0 424.567 0.578 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000556900237 1079027209 /nfs/dbraw/zinc/02/72/09/1079027209.db2.gz FBUSENVXOIVSDI-MRXNPFEDSA-N 1 0 424.567 0.578 20 0 HCADRO CNS(=O)(=O)N1CCC(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000556901051 1079027502 /nfs/dbraw/zinc/02/75/02/1079027502.db2.gz ADCNTBFNZNQLOH-UHFFFAOYSA-N 1 0 416.588 0.562 20 0 HCADRO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NCC[NH+](C)C ZINC000556903321 1079028202 /nfs/dbraw/zinc/02/82/02/1079028202.db2.gz KJEKKZJIDLIRNF-HNNXBMFYSA-N 1 0 410.540 0.657 20 0 HCADRO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NCC[NH+](C)C ZINC000556903322 1079028259 /nfs/dbraw/zinc/02/82/59/1079028259.db2.gz KJEKKZJIDLIRNF-OAHLLOKOSA-N 1 0 410.540 0.657 20 0 HCADRO C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)NCC[NH+](C)C ZINC000556903443 1079028183 /nfs/dbraw/zinc/02/81/83/1079028183.db2.gz MFHMFMDYWLLCKK-CHWSQXEVSA-N 1 0 402.542 0.084 20 0 HCADRO C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)NCC[NH+](C)C ZINC000556903444 1079028189 /nfs/dbraw/zinc/02/81/89/1079028189.db2.gz MFHMFMDYWLLCKK-OLZOCXBDSA-N 1 0 402.542 0.084 20 0 HCADRO C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)NCC[NH+](C)C ZINC000556903445 1079028281 /nfs/dbraw/zinc/02/82/81/1079028281.db2.gz MFHMFMDYWLLCKK-QWHCGFSZSA-N 1 0 402.542 0.084 20 0 HCADRO C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)NCC[NH+](C)C ZINC000556903446 1079028320 /nfs/dbraw/zinc/02/83/20/1079028320.db2.gz MFHMFMDYWLLCKK-STQMWFEESA-N 1 0 402.542 0.084 20 0 HCADRO C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000556903500 1079028300 /nfs/dbraw/zinc/02/83/00/1079028300.db2.gz NAOISQYQCASQTI-HNNXBMFYSA-N 1 0 410.540 0.270 20 0 HCADRO C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000556903501 1079028167 /nfs/dbraw/zinc/02/81/67/1079028167.db2.gz NAOISQYQCASQTI-OAHLLOKOSA-N 1 0 410.540 0.270 20 0 HCADRO C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C(=O)NCC[NH+](C)C ZINC000556903531 1079028332 /nfs/dbraw/zinc/02/83/32/1079028332.db2.gz AKDQFYLVDZUNIO-AWEZNQCLSA-N 1 0 410.540 0.704 20 0 HCADRO C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C(=O)NCC[NH+](C)C ZINC000556903533 1079028175 /nfs/dbraw/zinc/02/81/75/1079028175.db2.gz AKDQFYLVDZUNIO-CQSZACIVSA-N 1 0 410.540 0.704 20 0 HCADRO C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000556904264 1079031666 /nfs/dbraw/zinc/03/16/66/1079031666.db2.gz IFMJEFSQGKOMKE-GFCCVEGCSA-N 1 0 413.316 0.752 20 0 HCADRO C[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000556904265 1079031721 /nfs/dbraw/zinc/03/17/21/1079031721.db2.gz IFMJEFSQGKOMKE-LBPRGKRZSA-N 1 0 413.316 0.752 20 0 HCADRO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(=O)NCC[NH+](C)C ZINC000556904803 1079031342 /nfs/dbraw/zinc/03/13/42/1079031342.db2.gz MWJDUFVLXKGVEH-GFCCVEGCSA-N 1 0 402.542 0.329 20 0 HCADRO C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(=O)NCC[NH+](C)C ZINC000556904807 1079031426 /nfs/dbraw/zinc/03/14/26/1079031426.db2.gz MWJDUFVLXKGVEH-LBPRGKRZSA-N 1 0 402.542 0.329 20 0 HCADRO C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)NCC[NH+](C)C ZINC000556905114 1079029885 /nfs/dbraw/zinc/02/98/85/1079029885.db2.gz OHIPWYYBMSCGTR-DZGCQCFKSA-N 1 0 416.478 0.258 20 0 HCADRO C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)NCC[NH+](C)C ZINC000556905123 1079029786 /nfs/dbraw/zinc/02/97/86/1079029786.db2.gz OHIPWYYBMSCGTR-HIFRSBDPSA-N 1 0 416.478 0.258 20 0 HCADRO C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)NCC[NH+](C)C ZINC000556905125 1079029996 /nfs/dbraw/zinc/02/99/96/1079029996.db2.gz OHIPWYYBMSCGTR-UKRRQHHQSA-N 1 0 416.478 0.258 20 0 HCADRO C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)NCC[NH+](C)C ZINC000556905126 1079029868 /nfs/dbraw/zinc/02/98/68/1079029868.db2.gz OHIPWYYBMSCGTR-ZFWWWQNUSA-N 1 0 416.478 0.258 20 0 HCADRO C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)NCC[NH+](C)C ZINC000556905651 1079029484 /nfs/dbraw/zinc/02/94/84/1079029484.db2.gz UNZQZQTXFGGLSM-HNNXBMFYSA-N 1 0 424.567 0.416 20 0 HCADRO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)NCC[NH+](C)C ZINC000556905655 1079029512 /nfs/dbraw/zinc/02/95/12/1079029512.db2.gz UNZQZQTXFGGLSM-OAHLLOKOSA-N 1 0 424.567 0.416 20 0 HCADRO C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)NCC[NH+](C)C ZINC000556907237 1079031086 /nfs/dbraw/zinc/03/10/86/1079031086.db2.gz OBXIIHICVZUKIM-AWEZNQCLSA-N 1 0 416.519 0.409 20 0 HCADRO C[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)NCC[NH+](C)C ZINC000556907238 1079031434 /nfs/dbraw/zinc/03/14/34/1079031434.db2.gz OBXIIHICVZUKIM-CQSZACIVSA-N 1 0 416.519 0.409 20 0 HCADRO COc1cc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)ccc1OCC(=O)N1CCOCC1 ZINC000556908051 1079032673 /nfs/dbraw/zinc/03/26/73/1079032673.db2.gz HXOKNKUAGSTBPG-HOCLYGCPSA-N 1 0 412.508 0.598 20 0 HCADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2ccc3ccccc3c2=O)CC1=O ZINC000556926374 1079035997 /nfs/dbraw/zinc/03/59/97/1079035997.db2.gz FMNIJMQRCFKTAT-KRWDZBQOSA-N 1 0 400.479 0.297 20 0 HCADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2ccc3ccccc3c2=O)CC1=O ZINC000556926375 1079035785 /nfs/dbraw/zinc/03/57/85/1079035785.db2.gz FMNIJMQRCFKTAT-QGZVFWFLSA-N 1 0 400.479 0.297 20 0 HCADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1=O ZINC000556927916 1079039307 /nfs/dbraw/zinc/03/93/07/1079039307.db2.gz WCZJFDZTNRSSIC-CXUOOODFSA-N 1 0 422.570 0.709 20 0 HCADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1=O ZINC000556927922 1079039432 /nfs/dbraw/zinc/03/94/32/1079039432.db2.gz WCZJFDZTNRSSIC-IAFLDTSXSA-N 1 0 422.570 0.709 20 0 HCADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1=O ZINC000556927925 1079039467 /nfs/dbraw/zinc/03/94/67/1079039467.db2.gz WCZJFDZTNRSSIC-QGLXBCBXSA-N 1 0 422.570 0.709 20 0 HCADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1=O ZINC000556927927 1079039170 /nfs/dbraw/zinc/03/91/70/1079039170.db2.gz WCZJFDZTNRSSIC-YBXZHIRMSA-N 1 0 422.570 0.709 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000556928364 1079039226 /nfs/dbraw/zinc/03/92/26/1079039226.db2.gz ZTRQFPWQXVXZHM-UHFFFAOYSA-N 1 0 409.512 0.193 20 0 HCADRO CCc1c(C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)cnn1-c1ccccn1 ZINC000556928375 1079039450 /nfs/dbraw/zinc/03/94/50/1079039450.db2.gz AFTNPNWJXOFZQP-INIZCTEOSA-N 1 0 414.510 0.739 20 0 HCADRO CCc1c(C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)cnn1-c1ccccn1 ZINC000556928376 1079039374 /nfs/dbraw/zinc/03/93/74/1079039374.db2.gz AFTNPNWJXOFZQP-MRXNPFEDSA-N 1 0 414.510 0.739 20 0 HCADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cncn2-c2ccc(F)cc2)CC1=O ZINC000556928379 1079039319 /nfs/dbraw/zinc/03/93/19/1079039319.db2.gz AINDUCFGQNCPRA-INIZCTEOSA-N 1 0 403.458 0.920 20 0 HCADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cncn2-c2ccc(F)cc2)CC1=O ZINC000556928380 1079039232 /nfs/dbraw/zinc/03/92/32/1079039232.db2.gz AINDUCFGQNCPRA-MRXNPFEDSA-N 1 0 403.458 0.920 20 0 HCADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(N3CCNC3=O)ccc2F)CC1=O ZINC000556928543 1079039275 /nfs/dbraw/zinc/03/92/75/1079039275.db2.gz DRTXGORXOPJYIM-AWEZNQCLSA-N 1 0 421.473 0.264 20 0 HCADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(N3CCNC3=O)ccc2F)CC1=O ZINC000556928545 1079039413 /nfs/dbraw/zinc/03/94/13/1079039413.db2.gz DRTXGORXOPJYIM-CQSZACIVSA-N 1 0 421.473 0.264 20 0 HCADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1=O ZINC000556928549 1079039255 /nfs/dbraw/zinc/03/92/55/1079039255.db2.gz DYTDTFUXKYYIAB-INIZCTEOSA-N 1 0 413.478 0.141 20 0 HCADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1=O ZINC000556928571 1079039289 /nfs/dbraw/zinc/03/92/89/1079039289.db2.gz DYTDTFUXKYYIAB-MRXNPFEDSA-N 1 0 413.478 0.141 20 0 HCADRO CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)c1 ZINC000556928776 1079039354 /nfs/dbraw/zinc/03/93/54/1079039354.db2.gz JTDXUCAEYQWQER-GOSISDBHSA-N 1 0 404.511 0.687 20 0 HCADRO CCN(C)C(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)c1 ZINC000556928778 1079039149 /nfs/dbraw/zinc/03/91/49/1079039149.db2.gz JTDXUCAEYQWQER-SFHVURJKSA-N 1 0 404.511 0.687 20 0 HCADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)CC1=O ZINC000556929097 1079037178 /nfs/dbraw/zinc/03/71/78/1079037178.db2.gz VSQXEXHRBPAODL-KRWDZBQOSA-N 1 0 411.524 0.140 20 0 HCADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)CC1=O ZINC000556929098 1079037137 /nfs/dbraw/zinc/03/71/37/1079037137.db2.gz VSQXEXHRBPAODL-QGZVFWFLSA-N 1 0 411.524 0.140 20 0 HCADRO CNS(=O)(=O)N1CCC(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000556930494 1079037488 /nfs/dbraw/zinc/03/74/88/1079037488.db2.gz OGUHKIAJLFXOGT-KRWDZBQOSA-N 1 0 402.561 0.266 20 0 HCADRO CNS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000556930495 1079037566 /nfs/dbraw/zinc/03/75/66/1079037566.db2.gz OGUHKIAJLFXOGT-QGZVFWFLSA-N 1 0 402.561 0.266 20 0 HCADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2sc(-c3cnn(C)c3)nc2C)CC1=O ZINC000556931888 1079038408 /nfs/dbraw/zinc/03/84/08/1079038408.db2.gz ZKJUVYAYYZGUMK-HNNXBMFYSA-N 1 0 420.539 0.761 20 0 HCADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2sc(-c3cnn(C)c3)nc2C)CC1=O ZINC000556931890 1079038240 /nfs/dbraw/zinc/03/82/40/1079038240.db2.gz ZKJUVYAYYZGUMK-OAHLLOKOSA-N 1 0 420.539 0.761 20 0 HCADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2c(C)nc3ccccc3c2=O)CC1=O ZINC000556933805 1079040755 /nfs/dbraw/zinc/04/07/55/1079040755.db2.gz PDOVVDHRWUITMJ-INIZCTEOSA-N 1 0 415.494 0.000 20 0 HCADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2c(C)nc3ccccc3c2=O)CC1=O ZINC000556933806 1079040805 /nfs/dbraw/zinc/04/08/05/1079040805.db2.gz PDOVVDHRWUITMJ-MRXNPFEDSA-N 1 0 415.494 0.000 20 0 HCADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)CC1=O ZINC000556934259 1079041118 /nfs/dbraw/zinc/04/11/18/1079041118.db2.gz RBCBRTQQXQSBOZ-GOSISDBHSA-N 1 0 402.495 0.944 20 0 HCADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)CC1=O ZINC000556934263 1079041294 /nfs/dbraw/zinc/04/12/94/1079041294.db2.gz RBCBRTQQXQSBOZ-SFHVURJKSA-N 1 0 402.495 0.944 20 0 HCADRO CNS(=O)(=O)N1CCC(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000556936606 1079041740 /nfs/dbraw/zinc/04/17/40/1079041740.db2.gz VSOYQHPUZLRGBY-UHFFFAOYSA-N 1 0 415.604 0.180 20 0 HCADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000556936615 1079041734 /nfs/dbraw/zinc/04/17/34/1079041734.db2.gz RTKMWDGXZWXKDO-BMFZPTHFSA-N 1 0 421.523 0.551 20 0 HCADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000556936620 1079041723 /nfs/dbraw/zinc/04/17/23/1079041723.db2.gz RTKMWDGXZWXKDO-FVQBIDKESA-N 1 0 421.523 0.551 20 0 HCADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000556936624 1079041702 /nfs/dbraw/zinc/04/17/02/1079041702.db2.gz RTKMWDGXZWXKDO-KBMXLJTQSA-N 1 0 421.523 0.551 20 0 HCADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000556936631 1079041646 /nfs/dbraw/zinc/04/16/46/1079041646.db2.gz RTKMWDGXZWXKDO-VNQPRFMTSA-N 1 0 421.523 0.551 20 0 HCADRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCN(C(=O)CO)CC2)cn1 ZINC000556951291 1079045825 /nfs/dbraw/zinc/04/58/25/1079045825.db2.gz KDGFVPVWDLMVKV-UXHICEINSA-N 1 0 411.506 0.299 20 0 HCADRO CNS(=O)(=O)N1CCC(C(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)CC1 ZINC000556956846 1079047574 /nfs/dbraw/zinc/04/75/74/1079047574.db2.gz TWOSBSGZEYODPQ-UHFFFAOYSA-N 1 0 418.604 0.760 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000556958112 1079049416 /nfs/dbraw/zinc/04/94/16/1079049416.db2.gz CQDLXJHVAPWPNZ-UHFFFAOYSA-N 1 0 401.294 0.956 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC000556963084 1079052697 /nfs/dbraw/zinc/05/26/97/1079052697.db2.gz JYSFLHGRNCUZHG-DLBZAZTESA-N 1 0 408.524 0.961 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)CC2)cn1C ZINC000556965629 1079053470 /nfs/dbraw/zinc/05/34/70/1079053470.db2.gz CFHBGJUQTMNWQL-DLBZAZTESA-N 1 0 409.556 0.824 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000556966709 1079053565 /nfs/dbraw/zinc/05/35/65/1079053565.db2.gz SQKKEWQFFFVLHV-JKSUJKDBSA-N 1 0 410.540 0.574 20 0 HCADRO CCCn1c(CCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)nc2cc(S(N)(=O)=O)ccc21 ZINC000556974947 1079056257 /nfs/dbraw/zinc/05/62/57/1079056257.db2.gz OSGIYAYYWHHANT-IRXDYDNUSA-N 1 0 423.539 0.160 20 0 HCADRO C[NH+](C)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C[C@@H]1O ZINC000556975003 1079059696 /nfs/dbraw/zinc/05/96/96/1079059696.db2.gz DCSAINIKPHLNGO-HOTGVXAUSA-N 1 0 417.478 0.499 20 0 HCADRO C[NH+](C)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C[C@@H]1O ZINC000556975317 1079058866 /nfs/dbraw/zinc/05/88/66/1079058866.db2.gz GXPYETYYPGTRQJ-PMACEKPBSA-N 1 0 421.563 0.709 20 0 HCADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000556975380 1079059336 /nfs/dbraw/zinc/05/93/36/1079059336.db2.gz HMFTUOJVXQYIJH-GOSISDBHSA-N 1 0 402.495 0.973 20 0 HCADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000556975382 1079059220 /nfs/dbraw/zinc/05/92/20/1079059220.db2.gz HMFTUOJVXQYIJH-SFHVURJKSA-N 1 0 402.495 0.973 20 0 HCADRO COc1cc(N2C[C@@H](C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2=O)cc(OC)c1OC ZINC000556975473 1079058983 /nfs/dbraw/zinc/05/89/83/1079058983.db2.gz VYCRFIODTFYTRV-QEJZJMRPSA-N 1 0 407.467 0.199 20 0 HCADRO COc1cc(N2C[C@H](C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2=O)cc(OC)c1OC ZINC000556975477 1079058948 /nfs/dbraw/zinc/05/89/48/1079058948.db2.gz VYCRFIODTFYTRV-SNPRPXQTSA-N 1 0 407.467 0.199 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cccc(NC(=O)[C@H]4CCCO4)c3)[C@@H]2C1 ZINC000556976227 1079060165 /nfs/dbraw/zinc/06/01/65/1079060165.db2.gz MDGJYYAPJDTXKU-BHIYHBOVSA-N 1 0 414.506 0.973 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)[C@H]2C1 ZINC000556976229 1079060133 /nfs/dbraw/zinc/06/01/33/1079060133.db2.gz MDGJYYAPJDTXKU-NEWSRXKRSA-N 1 0 414.506 0.973 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cccc(NC(=O)[C@H]4CCCO4)c3)[C@H]2C1 ZINC000556976230 1079060108 /nfs/dbraw/zinc/06/01/08/1079060108.db2.gz MDGJYYAPJDTXKU-NZSAHSFTSA-N 1 0 414.506 0.973 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)[C@@H]2C1 ZINC000556976231 1079060049 /nfs/dbraw/zinc/06/00/49/1079060049.db2.gz MDGJYYAPJDTXKU-QRQLOZEOSA-N 1 0 414.506 0.973 20 0 HCADRO C[NH+](C)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@@H]1O ZINC000556976254 1079060144 /nfs/dbraw/zinc/06/01/44/1079060144.db2.gz MMHJPGYVCLWZTM-OALUTQOASA-N 1 0 409.552 0.927 20 0 HCADRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C[C@@H]1O ZINC000556978470 1079061471 /nfs/dbraw/zinc/06/14/71/1079061471.db2.gz PNDBZEJLNSIKID-IRXDYDNUSA-N 1 0 409.533 0.974 20 0 HCADRO COC(=O)[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1)[C@@H](C)O ZINC000556978854 1079061440 /nfs/dbraw/zinc/06/14/40/1079061440.db2.gz XKKNIXTUUDMCHS-DQEVTTJGSA-N 1 0 400.479 0.674 20 0 HCADRO COC(=O)[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1)[C@H](C)O ZINC000556978855 1079061288 /nfs/dbraw/zinc/06/12/88/1079061288.db2.gz XKKNIXTUUDMCHS-KLIQENQMSA-N 1 0 400.479 0.674 20 0 HCADRO COC(=O)[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1)[C@@H](C)O ZINC000556978856 1079061322 /nfs/dbraw/zinc/06/13/22/1079061322.db2.gz XKKNIXTUUDMCHS-OAOYMFHYSA-N 1 0 400.479 0.674 20 0 HCADRO COC(=O)[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1)[C@H](C)O ZINC000556978857 1079061480 /nfs/dbraw/zinc/06/14/80/1079061480.db2.gz XKKNIXTUUDMCHS-VLQPXKRTSA-N 1 0 400.479 0.674 20 0 HCADRO CN(C)c1noc([C@H]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)n1 ZINC000556979865 1079062226 /nfs/dbraw/zinc/06/22/26/1079062226.db2.gz MQOJAYRIEHYBDV-CABCVRRESA-N 1 0 407.519 0.612 20 0 HCADRO CN(C)c1noc([C@H]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)n1 ZINC000556979866 1079062274 /nfs/dbraw/zinc/06/22/74/1079062274.db2.gz MQOJAYRIEHYBDV-GJZGRUSLSA-N 1 0 407.519 0.612 20 0 HCADRO CN(C)c1noc([C@@H]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)n1 ZINC000556979869 1079062104 /nfs/dbraw/zinc/06/21/04/1079062104.db2.gz MQOJAYRIEHYBDV-HUUCEWRRSA-N 1 0 407.519 0.612 20 0 HCADRO CN(C)c1noc([C@@H]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)n1 ZINC000556979870 1079062123 /nfs/dbraw/zinc/06/21/23/1079062123.db2.gz MQOJAYRIEHYBDV-LSDHHAIUSA-N 1 0 407.519 0.612 20 0 HCADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1 ZINC000556983762 1079058083 /nfs/dbraw/zinc/05/80/83/1079058083.db2.gz BLTWIVKZYDBXHR-MOPGFXCFSA-N 1 0 416.522 0.764 20 0 HCADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1 ZINC000556983765 1079058038 /nfs/dbraw/zinc/05/80/38/1079058038.db2.gz BLTWIVKZYDBXHR-OALUTQOASA-N 1 0 416.522 0.764 20 0 HCADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)C1 ZINC000556983767 1079058208 /nfs/dbraw/zinc/05/82/08/1079058208.db2.gz BLTWIVKZYDBXHR-RBUKOAKNSA-N 1 0 416.522 0.764 20 0 HCADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000556985996 1079066282 /nfs/dbraw/zinc/06/62/82/1079066282.db2.gz MOBKJPSPYPTOBR-UHFFFAOYSA-N 1 0 416.588 0.615 20 0 HCADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556986205 1079067184 /nfs/dbraw/zinc/06/71/84/1079067184.db2.gz NNFUVBXGHSNKHT-HKUYNNGSSA-N 1 0 415.538 0.218 20 0 HCADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556986208 1079067191 /nfs/dbraw/zinc/06/71/91/1079067191.db2.gz NNFUVBXGHSNKHT-IEBWSBKVSA-N 1 0 415.538 0.218 20 0 HCADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556986210 1079067147 /nfs/dbraw/zinc/06/71/47/1079067147.db2.gz NNFUVBXGHSNKHT-MJGOQNOKSA-N 1 0 415.538 0.218 20 0 HCADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556986211 1079067198 /nfs/dbraw/zinc/06/71/98/1079067198.db2.gz NNFUVBXGHSNKHT-PKOBYXMFSA-N 1 0 415.538 0.218 20 0 HCADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000556986432 1079067213 /nfs/dbraw/zinc/06/72/13/1079067213.db2.gz URYNYUFGSRQYKV-KRWDZBQOSA-N 1 0 400.523 0.937 20 0 HCADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000556986434 1079067171 /nfs/dbraw/zinc/06/71/71/1079067171.db2.gz URYNYUFGSRQYKV-QGZVFWFLSA-N 1 0 400.523 0.937 20 0 HCADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000556986509 1079066776 /nfs/dbraw/zinc/06/67/76/1079066776.db2.gz QFJYVADYGRRDOI-APWZRJJASA-N 1 0 416.522 0.764 20 0 HCADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000556986510 1079066747 /nfs/dbraw/zinc/06/67/47/1079066747.db2.gz QFJYVADYGRRDOI-LPHOPBHVSA-N 1 0 416.522 0.764 20 0 HCADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000556986512 1079066996 /nfs/dbraw/zinc/06/69/96/1079066996.db2.gz QFJYVADYGRRDOI-QFBILLFUSA-N 1 0 416.522 0.764 20 0 HCADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000556986513 1079066866 /nfs/dbraw/zinc/06/68/66/1079066866.db2.gz QFJYVADYGRRDOI-VQIMIIECSA-N 1 0 416.522 0.764 20 0 HCADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000556986774 1079066845 /nfs/dbraw/zinc/06/68/45/1079066845.db2.gz SNEYPIIRQDYKLR-HKUYNNGSSA-N 1 0 416.522 0.521 20 0 HCADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000556986781 1079066424 /nfs/dbraw/zinc/06/64/24/1079066424.db2.gz SNEYPIIRQDYKLR-IEBWSBKVSA-N 1 0 416.522 0.521 20 0 HCADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000556986784 1079066227 /nfs/dbraw/zinc/06/62/27/1079066227.db2.gz SNEYPIIRQDYKLR-MJGOQNOKSA-N 1 0 416.522 0.521 20 0 HCADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000556986786 1079066407 /nfs/dbraw/zinc/06/64/07/1079066407.db2.gz SNEYPIIRQDYKLR-PKOBYXMFSA-N 1 0 416.522 0.521 20 0 HCADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000556987388 1079068107 /nfs/dbraw/zinc/06/81/07/1079068107.db2.gz ZSCKBNQBOITKEU-AWEZNQCLSA-N 1 0 410.465 0.982 20 0 HCADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000556987389 1079068026 /nfs/dbraw/zinc/06/80/26/1079068026.db2.gz ZSCKBNQBOITKEU-CQSZACIVSA-N 1 0 410.465 0.982 20 0 HCADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000556987840 1079068095 /nfs/dbraw/zinc/06/80/95/1079068095.db2.gz BLCHTIRBFHRFDK-KURKYZTESA-N 1 0 407.559 0.131 20 0 HCADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000556987841 1079068019 /nfs/dbraw/zinc/06/80/19/1079068019.db2.gz BLCHTIRBFHRFDK-KZNAEPCWSA-N 1 0 407.559 0.131 20 0 HCADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000556987842 1079067921 /nfs/dbraw/zinc/06/79/21/1079067921.db2.gz BLCHTIRBFHRFDK-OKZBNKHCSA-N 1 0 407.559 0.131 20 0 HCADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000556987843 1079068066 /nfs/dbraw/zinc/06/80/66/1079068066.db2.gz BLCHTIRBFHRFDK-SQNIBIBYSA-N 1 0 407.559 0.131 20 0 HCADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000556988527 1079069249 /nfs/dbraw/zinc/06/92/49/1079069249.db2.gz GXNSIRIXTVYWIT-KRWDZBQOSA-N 1 0 415.538 0.674 20 0 HCADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000556988528 1079069218 /nfs/dbraw/zinc/06/92/18/1079069218.db2.gz GXNSIRIXTVYWIT-QGZVFWFLSA-N 1 0 415.538 0.674 20 0 HCADRO CC[NH+]1CCN(c2cccc(NC(=O)C3CCN(S(=O)(=O)NC)CC3)c2)CC1 ZINC000556991806 1079070944 /nfs/dbraw/zinc/07/09/44/1079070944.db2.gz KEKJSWYSJKVFHJ-UHFFFAOYSA-N 1 0 409.556 0.943 20 0 HCADRO Cn1cnc2c1c(=O)n(CC(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1)c(=O)n2C ZINC000556991809 1079070994 /nfs/dbraw/zinc/07/09/94/1079070994.db2.gz VTBQDEBSWJDGQE-UHFFFAOYSA-N 1 0 402.499 0.228 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C1 ZINC000556992106 1079063396 /nfs/dbraw/zinc/06/33/96/1079063396.db2.gz YHMZQXBFJCAJCF-GFCCVEGCSA-N 1 0 414.466 0.149 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C1 ZINC000556992117 1079063448 /nfs/dbraw/zinc/06/34/48/1079063448.db2.gz YHMZQXBFJCAJCF-LBPRGKRZSA-N 1 0 414.466 0.149 20 0 HCADRO CCCOc1ncccc1CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000556992995 1079063761 /nfs/dbraw/zinc/06/37/61/1079063761.db2.gz CXFZFFRYAMJOCX-UHFFFAOYSA-N 1 0 417.554 0.973 20 0 HCADRO CCCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000556994670 1079064553 /nfs/dbraw/zinc/06/45/53/1079064553.db2.gz VHBGZUHOWBOITA-KRWDZBQOSA-N 1 0 417.510 0.252 20 0 HCADRO CCCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000556994673 1079064498 /nfs/dbraw/zinc/06/44/98/1079064498.db2.gz VHBGZUHOWBOITA-QGZVFWFLSA-N 1 0 417.510 0.252 20 0 HCADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000556996192 1079073269 /nfs/dbraw/zinc/07/32/69/1079073269.db2.gz FGNPGAJHVWXAIQ-ABHNRTSZSA-N 1 0 419.570 0.178 20 0 HCADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000556996193 1079073387 /nfs/dbraw/zinc/07/33/87/1079073387.db2.gz FGNPGAJHVWXAIQ-DAWZGUTISA-N 1 0 419.570 0.178 20 0 HCADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000556996268 1079073339 /nfs/dbraw/zinc/07/33/39/1079073339.db2.gz HGSHYLLGDXNUPA-CYBMUJFWSA-N 1 0 400.508 0.693 20 0 HCADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000556996269 1079073436 /nfs/dbraw/zinc/07/34/36/1079073436.db2.gz HGSHYLLGDXNUPA-ZDUSSCGKSA-N 1 0 400.508 0.693 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CCN(c2nccs2)CC1 ZINC000556996744 1079073045 /nfs/dbraw/zinc/07/30/45/1079073045.db2.gz TYCYKQZXFCTHBN-INIZCTEOSA-N 1 0 409.556 0.797 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CCN(c2nccs2)CC1 ZINC000556996745 1079072970 /nfs/dbraw/zinc/07/29/70/1079072970.db2.gz TYCYKQZXFCTHBN-MRXNPFEDSA-N 1 0 409.556 0.797 20 0 HCADRO CNC(=O)C1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000556997281 1079073792 /nfs/dbraw/zinc/07/37/92/1079073792.db2.gz BJPOJTGYAMFXLK-ABHNRTSZSA-N 1 0 407.559 0.036 20 0 HCADRO CNC(=O)C1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000556997283 1079073891 /nfs/dbraw/zinc/07/38/91/1079073891.db2.gz BJPOJTGYAMFXLK-DAWZGUTISA-N 1 0 407.559 0.036 20 0 HCADRO CNC(=O)C1CCC(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000556998544 1079074662 /nfs/dbraw/zinc/07/46/62/1079074662.db2.gz LZISYEYOXNLMRE-UHFFFAOYSA-N 1 0 408.543 0.511 20 0 HCADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000556999209 1079075861 /nfs/dbraw/zinc/07/58/61/1079075861.db2.gz GLAACWGQFOAFTI-FGTMMUONSA-N 1 0 419.570 0.178 20 0 HCADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000556999210 1079075904 /nfs/dbraw/zinc/07/59/04/1079075904.db2.gz GLAACWGQFOAFTI-KURKYZTESA-N 1 0 419.570 0.178 20 0 HCADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000556999211 1079075738 /nfs/dbraw/zinc/07/57/38/1079075738.db2.gz GLAACWGQFOAFTI-KZNAEPCWSA-N 1 0 419.570 0.178 20 0 HCADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000556999212 1079075812 /nfs/dbraw/zinc/07/58/12/1079075812.db2.gz GLAACWGQFOAFTI-SQNIBIBYSA-N 1 0 419.570 0.178 20 0 HCADRO COc1ccc(F)cc1CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000556999503 1079075355 /nfs/dbraw/zinc/07/53/55/1079075355.db2.gz BVGPQIJHGKHDAC-KRWDZBQOSA-N 1 0 404.486 0.831 20 0 HCADRO COc1ccc(F)cc1CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000556999520 1079075486 /nfs/dbraw/zinc/07/54/86/1079075486.db2.gz BVGPQIJHGKHDAC-QGZVFWFLSA-N 1 0 404.486 0.831 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CCC(C(=O)NC)CC2)[C@H](C)C1 ZINC000556999724 1079075509 /nfs/dbraw/zinc/07/55/09/1079075509.db2.gz UCGNEELBNJABRG-AQEOSJORSA-N 1 0 410.559 0.661 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCC(C(=O)NC)CC2)[C@@H](C)C1 ZINC000556999726 1079075372 /nfs/dbraw/zinc/07/53/72/1079075372.db2.gz UCGNEELBNJABRG-BFWZDYSYSA-N 1 0 410.559 0.661 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCC(C(=O)NC)CC2)[C@H](C)C1 ZINC000556999728 1079075343 /nfs/dbraw/zinc/07/53/43/1079075343.db2.gz UCGNEELBNJABRG-CPFNUKBASA-N 1 0 410.559 0.661 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CCC(C(=O)NC)CC2)[C@@H](C)C1 ZINC000556999729 1079075440 /nfs/dbraw/zinc/07/54/40/1079075440.db2.gz UCGNEELBNJABRG-FCCDEINASA-N 1 0 410.559 0.661 20 0 HCADRO O=C(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000556999758 1079075322 /nfs/dbraw/zinc/07/53/22/1079075322.db2.gz KZHHXASQFFXQLN-KRWDZBQOSA-N 1 0 413.522 0.194 20 0 HCADRO O=C(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000556999761 1079075526 /nfs/dbraw/zinc/07/55/26/1079075526.db2.gz KZHHXASQFFXQLN-QGZVFWFLSA-N 1 0 413.522 0.194 20 0 HCADRO CNC(=O)C1CCC(NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000556999807 1079075461 /nfs/dbraw/zinc/07/54/61/1079075461.db2.gz VRXGBSDTSJHORV-UHFFFAOYSA-N 1 0 422.570 0.758 20 0 HCADRO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557000409 1079076528 /nfs/dbraw/zinc/07/65/28/1079076528.db2.gz OWRJZDZGPKESAX-AQOAWAETSA-N 1 0 401.507 0.908 20 0 HCADRO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557000418 1079076465 /nfs/dbraw/zinc/07/64/65/1079076465.db2.gz OWRJZDZGPKESAX-CECAUBDESA-N 1 0 401.507 0.908 20 0 HCADRO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557000419 1079076600 /nfs/dbraw/zinc/07/66/00/1079076600.db2.gz OWRJZDZGPKESAX-SGXKBVARSA-N 1 0 401.507 0.908 20 0 HCADRO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557000422 1079076545 /nfs/dbraw/zinc/07/65/45/1079076545.db2.gz OWRJZDZGPKESAX-ZJBJCVSYSA-N 1 0 401.507 0.908 20 0 HCADRO O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557000641 1079076579 /nfs/dbraw/zinc/07/65/79/1079076579.db2.gz HJYWJTJDAVQFDZ-GOSISDBHSA-N 1 0 416.522 0.367 20 0 HCADRO O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557000643 1079076357 /nfs/dbraw/zinc/07/63/57/1079076357.db2.gz HJYWJTJDAVQFDZ-SFHVURJKSA-N 1 0 416.522 0.367 20 0 HCADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000557000795 1079076406 /nfs/dbraw/zinc/07/64/06/1079076406.db2.gz UBSNDLIAQCGAAE-AWEZNQCLSA-N 1 0 406.449 0.453 20 0 HCADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000557000796 1079076496 /nfs/dbraw/zinc/07/64/96/1079076496.db2.gz UBSNDLIAQCGAAE-CQSZACIVSA-N 1 0 406.449 0.453 20 0 HCADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)[C@@H](C)C2)cc1 ZINC000557000937 1079075948 /nfs/dbraw/zinc/07/59/48/1079075948.db2.gz KWZMNYRIZPEXHV-DOTOQJQBSA-N 1 0 414.506 0.863 20 0 HCADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)[C@H](C)C2)cc1 ZINC000557000939 1079075981 /nfs/dbraw/zinc/07/59/81/1079075981.db2.gz KWZMNYRIZPEXHV-NVXWUHKLSA-N 1 0 414.506 0.863 20 0 HCADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)[C@@H](C)C2)cc1 ZINC000557000941 1079075707 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/nfs/dbraw/zinc/07/67/97/1079076797.db2.gz LEBCROSLXCOZCL-QGZVFWFLSA-N 1 0 405.543 0.962 20 0 HCADRO COc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc(OC)c1 ZINC000557001070 1079076819 /nfs/dbraw/zinc/07/68/19/1079076819.db2.gz ZBPFBEUNQAVIIH-KRWDZBQOSA-N 1 0 416.522 0.701 20 0 HCADRO COc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc(OC)c1 ZINC000557001071 1079076927 /nfs/dbraw/zinc/07/69/27/1079076927.db2.gz ZBPFBEUNQAVIIH-QGZVFWFLSA-N 1 0 416.522 0.701 20 0 HCADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000557001214 1079077801 /nfs/dbraw/zinc/07/78/01/1079077801.db2.gz OKCSKDWWCZGPGZ-KSZLIROESA-N 1 0 422.570 0.456 20 0 HCADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000557001215 1079077939 /nfs/dbraw/zinc/07/79/39/1079077939.db2.gz OKCSKDWWCZGPGZ-KURKYZTESA-N 1 0 422.570 0.456 20 0 HCADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000557001216 1079077893 /nfs/dbraw/zinc/07/78/93/1079077893.db2.gz OKCSKDWWCZGPGZ-KZNAEPCWSA-N 1 0 422.570 0.456 20 0 HCADRO O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000557001418 1079077346 /nfs/dbraw/zinc/07/73/46/1079077346.db2.gz QWOPAABPHAHIQM-KRWDZBQOSA-N 1 0 418.925 0.906 20 0 HCADRO O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000557001419 1079077444 /nfs/dbraw/zinc/07/74/44/1079077444.db2.gz QWOPAABPHAHIQM-QGZVFWFLSA-N 1 0 418.925 0.906 20 0 HCADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4COC[C@H](C3)O4)c2)CC1 ZINC000557003299 1079078285 /nfs/dbraw/zinc/07/82/85/1079078285.db2.gz HHSKEGYQRHHFOG-KDURUIRLSA-N 1 0 402.495 0.782 20 0 HCADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000557009871 1079080786 /nfs/dbraw/zinc/08/07/86/1079080786.db2.gz QKMCCSKINOBYEZ-KRWDZBQOSA-N 1 0 414.506 0.261 20 0 HCADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000557009873 1079080878 /nfs/dbraw/zinc/08/08/78/1079080878.db2.gz QKMCCSKINOBYEZ-QGZVFWFLSA-N 1 0 414.506 0.261 20 0 HCADRO O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557009987 1079081206 /nfs/dbraw/zinc/08/12/06/1079081206.db2.gz QLBUMMDCCYQOSI-GOSISDBHSA-N 1 0 419.570 0.180 20 0 HCADRO O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557009988 1079081734 /nfs/dbraw/zinc/08/17/34/1079081734.db2.gz QLBUMMDCCYQOSI-SFHVURJKSA-N 1 0 419.570 0.180 20 0 HCADRO COc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2=O)cc1 ZINC000557012634 1079083979 /nfs/dbraw/zinc/08/39/79/1079083979.db2.gz OOTSFWKUBPDIJK-KRWDZBQOSA-N 1 0 414.506 0.609 20 0 HCADRO COc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2=O)cc1 ZINC000557012635 1079083830 /nfs/dbraw/zinc/08/38/30/1079083830.db2.gz OOTSFWKUBPDIJK-QGZVFWFLSA-N 1 0 414.506 0.609 20 0 HCADRO Cc1nc(CN2CCC(CNC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)oc1C ZINC000557012666 1079083885 /nfs/dbraw/zinc/08/38/85/1079083885.db2.gz QDNGDRPOQIBTRS-KRWDZBQOSA-N 1 0 403.527 0.973 20 0 HCADRO Cc1nc(CN2CCC(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)oc1C ZINC000557012669 1079083756 /nfs/dbraw/zinc/08/37/56/1079083756.db2.gz QDNGDRPOQIBTRS-QGZVFWFLSA-N 1 0 403.527 0.973 20 0 HCADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000557012940 1079083298 /nfs/dbraw/zinc/08/32/98/1079083298.db2.gz SININDOCFXUDDY-KRWDZBQOSA-N 1 0 402.470 0.853 20 0 HCADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000557012941 1079083408 /nfs/dbraw/zinc/08/34/08/1079083408.db2.gz SININDOCFXUDDY-QGZVFWFLSA-N 1 0 402.470 0.853 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000557013641 1079079116 /nfs/dbraw/zinc/07/91/16/1079079116.db2.gz ABMGREMPBAENQY-INIZCTEOSA-N 1 0 424.567 0.934 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000557013644 1079079191 /nfs/dbraw/zinc/07/91/91/1079079191.db2.gz ABMGREMPBAENQY-MRXNPFEDSA-N 1 0 424.567 0.934 20 0 HCADRO CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000557013670 1079078670 /nfs/dbraw/zinc/07/86/70/1079078670.db2.gz AHFRNKTZALEXFK-INIZCTEOSA-N 1 0 404.511 0.826 20 0 HCADRO CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000557013672 1079078709 /nfs/dbraw/zinc/07/87/09/1079078709.db2.gz AHFRNKTZALEXFK-MRXNPFEDSA-N 1 0 404.511 0.826 20 0 HCADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO2)CC1 ZINC000557013957 1079079128 /nfs/dbraw/zinc/07/91/28/1079079128.db2.gz KKZTUHNWTNEVHO-CVEARBPZSA-N 1 0 414.576 0.845 20 0 HCADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO2)CC1 ZINC000557013962 1079079064 /nfs/dbraw/zinc/07/90/64/1079079064.db2.gz KKZTUHNWTNEVHO-HOTGVXAUSA-N 1 0 414.576 0.845 20 0 HCADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO2)CC1 ZINC000557013965 1079079104 /nfs/dbraw/zinc/07/91/04/1079079104.db2.gz KKZTUHNWTNEVHO-HZPDHXFCSA-N 1 0 414.576 0.845 20 0 HCADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO2)CC1 ZINC000557013968 1079079084 /nfs/dbraw/zinc/07/90/84/1079079084.db2.gz KKZTUHNWTNEVHO-JKSUJKDBSA-N 1 0 414.576 0.845 20 0 HCADRO COc1ccccc1CC(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000557014028 1079079185 /nfs/dbraw/zinc/07/91/85/1079079185.db2.gz GIBFKVFGHSANLW-INIZCTEOSA-N 1 0 418.538 0.801 20 0 HCADRO COc1ccccc1CC(=O)N1CCC(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000557014032 1079079198 /nfs/dbraw/zinc/07/91/98/1079079198.db2.gz GIBFKVFGHSANLW-MRXNPFEDSA-N 1 0 418.538 0.801 20 0 HCADRO CC(C)C(=O)N1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000557014561 1079087528 /nfs/dbraw/zinc/08/75/28/1079087528.db2.gz GYKYYZIWEBMRIG-UHFFFAOYSA-N 1 0 418.538 0.960 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000557014992 1079088397 /nfs/dbraw/zinc/08/83/97/1079088397.db2.gz SHABQFIZQPRZAS-HKUYNNGSSA-N 1 0 415.538 0.393 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000557014993 1079088403 /nfs/dbraw/zinc/08/84/03/1079088403.db2.gz SHABQFIZQPRZAS-IEBWSBKVSA-N 1 0 415.538 0.393 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000557014994 1079088450 /nfs/dbraw/zinc/08/84/50/1079088450.db2.gz SHABQFIZQPRZAS-MJGOQNOKSA-N 1 0 415.538 0.393 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000557014995 1079088376 /nfs/dbraw/zinc/08/83/76/1079088376.db2.gz SHABQFIZQPRZAS-PKOBYXMFSA-N 1 0 415.538 0.393 20 0 HCADRO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC2)CC1 ZINC000557015073 1079088442 /nfs/dbraw/zinc/08/84/42/1079088442.db2.gz AVCJOYFRRFHFNO-KRWDZBQOSA-N 1 0 409.575 0.236 20 0 HCADRO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC2)CC1 ZINC000557015074 1079088412 /nfs/dbraw/zinc/08/84/12/1079088412.db2.gz AVCJOYFRRFHFNO-QGZVFWFLSA-N 1 0 409.575 0.236 20 0 HCADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC2)s1 ZINC000557015158 1079088035 /nfs/dbraw/zinc/08/80/35/1079088035.db2.gz FVMYUPFVOJHLGT-CYBMUJFWSA-N 1 0 411.528 0.425 20 0 HCADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC2)s1 ZINC000557015159 1079087945 /nfs/dbraw/zinc/08/79/45/1079087945.db2.gz FVMYUPFVOJHLGT-ZDUSSCGKSA-N 1 0 411.528 0.425 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000557015221 1079088012 /nfs/dbraw/zinc/08/80/12/1079088012.db2.gz UDFPNOBFPRVUID-UHFFFAOYSA-N 1 0 414.510 0.774 20 0 HCADRO CC(C)C(=O)N1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000557015505 1079088045 /nfs/dbraw/zinc/08/80/45/1079088045.db2.gz XTYANVIGRCZRSQ-UHFFFAOYSA-N 1 0 404.511 0.570 20 0 HCADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC2)c1 ZINC000557015829 1079087986 /nfs/dbraw/zinc/08/79/86/1079087986.db2.gz QWXNKDRYRGIBDQ-INIZCTEOSA-N 1 0 404.511 0.365 20 0 HCADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC2)c1 ZINC000557015830 1079088000 /nfs/dbraw/zinc/08/80/00/1079088000.db2.gz QWXNKDRYRGIBDQ-MRXNPFEDSA-N 1 0 404.511 0.365 20 0 HCADRO CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000557016270 1079089544 /nfs/dbraw/zinc/08/95/44/1079089544.db2.gz RHDUPCKASULWRT-KRWDZBQOSA-N 1 0 404.511 0.618 20 0 HCADRO CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000557016271 1079089491 /nfs/dbraw/zinc/08/94/91/1079089491.db2.gz RHDUPCKASULWRT-QGZVFWFLSA-N 1 0 404.511 0.618 20 0 HCADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)CCO2 ZINC000557016671 1079088825 /nfs/dbraw/zinc/08/88/25/1079088825.db2.gz FBBPGNONSHIZMW-HRAATJIYSA-N 1 0 405.495 0.650 20 0 HCADRO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)CCO2 ZINC000557016673 1079088740 /nfs/dbraw/zinc/08/87/40/1079088740.db2.gz FBBPGNONSHIZMW-IERDGZPVSA-N 1 0 405.495 0.650 20 0 HCADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)CCO2 ZINC000557016675 1079088788 /nfs/dbraw/zinc/08/87/88/1079088788.db2.gz FBBPGNONSHIZMW-IIBYNOLFSA-N 1 0 405.495 0.650 20 0 HCADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)CCO2 ZINC000557016677 1079088771 /nfs/dbraw/zinc/08/87/71/1079088771.db2.gz FBBPGNONSHIZMW-KKSFZXQISA-N 1 0 405.495 0.650 20 0 HCADRO Cn1cnnc1C1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000557016994 1079089588 /nfs/dbraw/zinc/08/95/88/1079089588.db2.gz IIZWRGHYNXRUGC-UHFFFAOYSA-N 1 0 414.510 0.778 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000557017078 1079089477 /nfs/dbraw/zinc/08/94/77/1079089477.db2.gz OMZOFUNMRWEJRK-DLBZAZTESA-N 1 0 402.495 0.513 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000557017079 1079089576 /nfs/dbraw/zinc/08/95/76/1079089576.db2.gz OMZOFUNMRWEJRK-IAGOWNOFSA-N 1 0 402.495 0.513 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000557017080 1079089527 /nfs/dbraw/zinc/08/95/27/1079089527.db2.gz OMZOFUNMRWEJRK-IRXDYDNUSA-N 1 0 402.495 0.513 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000557017081 1079089459 /nfs/dbraw/zinc/08/94/59/1079089459.db2.gz OMZOFUNMRWEJRK-SJORKVTESA-N 1 0 402.495 0.513 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000557017126 1079089513 /nfs/dbraw/zinc/08/95/13/1079089513.db2.gz QSYDSCQAZVTMNR-KRWDZBQOSA-N 1 0 417.510 0.306 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000557017127 1079089446 /nfs/dbraw/zinc/08/94/46/1079089446.db2.gz QSYDSCQAZVTMNR-QGZVFWFLSA-N 1 0 417.510 0.306 20 0 HCADRO NC(=O)c1ccc(CNC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000557018584 1079090014 /nfs/dbraw/zinc/09/00/14/1079090014.db2.gz CBOYLQLZORADTH-UHFFFAOYSA-N 1 0 415.519 0.887 20 0 HCADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1 ZINC000557019658 1079084338 /nfs/dbraw/zinc/08/43/38/1079084338.db2.gz KQORVZTZXSLAAI-IBGZPJMESA-N 1 0 418.538 0.566 20 0 HCADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1 ZINC000557019660 1079084319 /nfs/dbraw/zinc/08/43/19/1079084319.db2.gz KQORVZTZXSLAAI-LJQANCHMSA-N 1 0 418.538 0.566 20 0 HCADRO CC(C)(O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000557019786 1079084287 /nfs/dbraw/zinc/08/42/87/1079084287.db2.gz LTJLMSIVLQMLLP-KRWDZBQOSA-N 1 0 422.595 0.991 20 0 HCADRO CC(C)(O)CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000557019800 1079084230 /nfs/dbraw/zinc/08/42/30/1079084230.db2.gz LTJLMSIVLQMLLP-QGZVFWFLSA-N 1 0 422.595 0.991 20 0 HCADRO CC(C)CN1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1=O ZINC000557019939 1079084332 /nfs/dbraw/zinc/08/43/32/1079084332.db2.gz DNTMWLQKWOMMLN-UHFFFAOYSA-N 1 0 404.511 0.570 20 0 HCADRO C[C@H]1COCCN1CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000557020112 1079085086 /nfs/dbraw/zinc/08/50/86/1079085086.db2.gz FXHCPOFSEFIBNK-DLBZAZTESA-N 1 0 408.568 0.913 20 0 HCADRO C[C@@H]1COCCN1CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000557020113 1079085234 /nfs/dbraw/zinc/08/52/34/1079085234.db2.gz FXHCPOFSEFIBNK-IAGOWNOFSA-N 1 0 408.568 0.913 20 0 HCADRO C[C@H]1COCCN1CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000557020114 1079085176 /nfs/dbraw/zinc/08/51/76/1079085176.db2.gz FXHCPOFSEFIBNK-IRXDYDNUSA-N 1 0 408.568 0.913 20 0 HCADRO C[C@@H]1COCCN1CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000557020115 1079085130 /nfs/dbraw/zinc/08/51/30/1079085130.db2.gz FXHCPOFSEFIBNK-SJORKVTESA-N 1 0 408.568 0.913 20 0 HCADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000557020204 1079085186 /nfs/dbraw/zinc/08/51/86/1079085186.db2.gz HWRGUVCNLGDYFM-IAGOWNOFSA-N 1 0 404.536 0.813 20 0 HCADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)NC1CCN(c2nccs2)CC1 ZINC000557020522 1079084673 /nfs/dbraw/zinc/08/46/73/1079084673.db2.gz WRDITNOWZFDABI-UHFFFAOYSA-N 1 0 421.567 0.989 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000557020989 1079085196 /nfs/dbraw/zinc/08/51/96/1079085196.db2.gz MARVNDWSELOLBF-IBGZPJMESA-N 1 0 418.538 0.614 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000557020990 1079085553 /nfs/dbraw/zinc/08/55/53/1079085553.db2.gz MARVNDWSELOLBF-LJQANCHMSA-N 1 0 418.538 0.614 20 0 HCADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000557021158 1079086046 /nfs/dbraw/zinc/08/60/46/1079086046.db2.gz OGODUJJGROLDLS-DLBZAZTESA-N 1 0 406.552 0.619 20 0 HCADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000557021166 1079086192 /nfs/dbraw/zinc/08/61/92/1079086192.db2.gz OGODUJJGROLDLS-IAGOWNOFSA-N 1 0 406.552 0.619 20 0 HCADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000557021169 1079086144 /nfs/dbraw/zinc/08/61/44/1079086144.db2.gz OGODUJJGROLDLS-IRXDYDNUSA-N 1 0 406.552 0.619 20 0 HCADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000557021173 1079086063 /nfs/dbraw/zinc/08/60/63/1079086063.db2.gz OGODUJJGROLDLS-SJORKVTESA-N 1 0 406.552 0.619 20 0 HCADRO NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000557021186 1079086220 /nfs/dbraw/zinc/08/62/20/1079086220.db2.gz OISRQVKJXQTVKF-INIZCTEOSA-N 1 0 421.567 0.983 20 0 HCADRO NC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000557021336 1079086089 /nfs/dbraw/zinc/08/60/89/1079086089.db2.gz OISRQVKJXQTVKF-MRXNPFEDSA-N 1 0 421.567 0.983 20 0 HCADRO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000557021361 1079086232 /nfs/dbraw/zinc/08/62/32/1079086232.db2.gz PBUHCGJXSLQBOZ-AWEZNQCLSA-N 1 0 415.581 0.968 20 0 HCADRO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000557021362 1079086204 /nfs/dbraw/zinc/08/62/04/1079086204.db2.gz PBUHCGJXSLQBOZ-CQSZACIVSA-N 1 0 415.581 0.968 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000557021565 1079085596 /nfs/dbraw/zinc/08/55/96/1079085596.db2.gz IXOKZUDSVPYJHI-UHFFFAOYSA-N 1 0 416.522 0.857 20 0 HCADRO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000557022051 1079087131 /nfs/dbraw/zinc/08/71/31/1079087131.db2.gz WQKAYWUXTSFSHT-CABCVRRESA-N 1 0 415.581 0.968 20 0 HCADRO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000557022052 1079087190 /nfs/dbraw/zinc/08/71/90/1079087190.db2.gz WQKAYWUXTSFSHT-GJZGRUSLSA-N 1 0 415.581 0.968 20 0 HCADRO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000557022053 1079087004 /nfs/dbraw/zinc/08/70/04/1079087004.db2.gz WQKAYWUXTSFSHT-HUUCEWRRSA-N 1 0 415.581 0.968 20 0 HCADRO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000557022054 1079087080 /nfs/dbraw/zinc/08/70/80/1079087080.db2.gz WQKAYWUXTSFSHT-LSDHHAIUSA-N 1 0 415.581 0.968 20 0 HCADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000557022244 1079087055 /nfs/dbraw/zinc/08/70/55/1079087055.db2.gz GZOWLUKXGOAZSY-UHFFFAOYSA-N 1 0 418.538 0.568 20 0 HCADRO NC(=O)c1cc(CNC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)on1 ZINC000557023473 1079093755 /nfs/dbraw/zinc/09/37/55/1079093755.db2.gz 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HCADRO CN(CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)S(=O)(=O)c1cccnc1 ZINC000557024106 1079094809 /nfs/dbraw/zinc/09/48/09/1079094809.db2.gz VTZVWYOIMMTMDB-KRWDZBQOSA-N 1 0 404.492 0.907 20 0 HCADRO CN(CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)S(=O)(=O)c1cccnc1 ZINC000557024108 1079094767 /nfs/dbraw/zinc/09/47/67/1079094767.db2.gz VTZVWYOIMMTMDB-QGZVFWFLSA-N 1 0 404.492 0.907 20 0 HCADRO CCC(=O)N1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000557026579 1079090792 /nfs/dbraw/zinc/09/07/92/1079090792.db2.gz GTZKPPGGDADCIO-UHFFFAOYSA-N 1 0 404.511 0.714 20 0 HCADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000557026940 1079090425 /nfs/dbraw/zinc/09/04/25/1079090425.db2.gz BTQOWKFKIDTGGK-KRWDZBQOSA-N 1 0 406.552 0.619 20 0 HCADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000557026941 1079090257 /nfs/dbraw/zinc/09/02/57/1079090257.db2.gz BTQOWKFKIDTGGK-QGZVFWFLSA-N 1 0 406.552 0.619 20 0 HCADRO COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)cc1 ZINC000557028523 1079091706 /nfs/dbraw/zinc/09/17/06/1079091706.db2.gz HBGNDLBALHQTSH-GOSISDBHSA-N 1 0 416.522 0.760 20 0 HCADRO COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)cc1 ZINC000557028525 1079091763 /nfs/dbraw/zinc/09/17/63/1079091763.db2.gz HBGNDLBALHQTSH-SFHVURJKSA-N 1 0 416.522 0.760 20 0 HCADRO CCn1ncnc1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000557028783 1079091826 /nfs/dbraw/zinc/09/18/26/1079091826.db2.gz KKPLNJSYOCAMFR-UHFFFAOYSA-N 1 0 414.510 0.951 20 0 HCADRO CCN(C)C(=O)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000557029107 1079092140 /nfs/dbraw/zinc/09/21/40/1079092140.db2.gz OAXHJEODUVZIFM-UHFFFAOYSA-N 1 0 404.511 0.618 20 0 HCADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000557029272 1079092088 /nfs/dbraw/zinc/09/20/88/1079092088.db2.gz OMHZENGJWOJHNK-KRWDZBQOSA-N 1 0 422.551 0.440 20 0 HCADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000557029273 1079092147 /nfs/dbraw/zinc/09/21/47/1079092147.db2.gz OMHZENGJWOJHNK-QGZVFWFLSA-N 1 0 422.551 0.440 20 0 HCADRO CNC(=O)C(C)(C)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000557030180 1079092453 /nfs/dbraw/zinc/09/24/53/1079092453.db2.gz YMTWCLHMQXJYDR-UHFFFAOYSA-N 1 0 418.538 0.912 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000557041706 1079099258 /nfs/dbraw/zinc/09/92/58/1079099258.db2.gz ISZGMTJVIZNOSZ-CQSZACIVSA-N 1 0 421.523 0.553 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)CC1=O ZINC000557045259 1079105329 /nfs/dbraw/zinc/10/53/29/1079105329.db2.gz QSYFUFJNDTXZDK-GVDBMIGSSA-N 1 0 400.527 1.098 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)CC1=O ZINC000557045263 1079105447 /nfs/dbraw/zinc/10/54/47/1079105447.db2.gz QSYFUFJNDTXZDK-YESZJQIVSA-N 1 0 400.527 1.098 20 0 HCADRO O=C(NCCN1CCSCC1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000557045840 1079104911 /nfs/dbraw/zinc/10/49/11/1079104911.db2.gz OKSPEWCDEVGVQP-UHFFFAOYSA-N 1 0 419.595 0.085 20 0 HCADRO CNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000557050065 1079101626 /nfs/dbraw/zinc/10/16/26/1079101626.db2.gz DLVTZECMCNSMKD-KRWDZBQOSA-N 1 0 404.511 0.837 20 0 HCADRO CNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000557050066 1079101958 /nfs/dbraw/zinc/10/19/58/1079101958.db2.gz DLVTZECMCNSMKD-QGZVFWFLSA-N 1 0 404.511 0.837 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](CO)O[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000557050073 1079102068 /nfs/dbraw/zinc/10/20/68/1079102068.db2.gz DWJVQVLIGXRLPH-IPELMVKDSA-N 1 0 405.495 0.557 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)[NH+]2CCCC2)cc1 ZINC000557050074 1079102085 /nfs/dbraw/zinc/10/20/85/1079102085.db2.gz DWJVQVLIGXRLPH-LZQZEXGQSA-N 1 0 405.495 0.557 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)O[C@H](CO)C2)[NH+]2CCCC2)cc1 ZINC000557050075 1079101996 /nfs/dbraw/zinc/10/19/96/1079101996.db2.gz DWJVQVLIGXRLPH-MNEFBYGVSA-N 1 0 405.495 0.557 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](C)O[C@H](CO)C2)[NH+]2CCCC2)cc1 ZINC000557050076 1079102025 /nfs/dbraw/zinc/10/20/25/1079102025.db2.gz DWJVQVLIGXRLPH-SNRMKQJTSA-N 1 0 405.495 0.557 20 0 HCADRO Cc1nc2ccccc2n1CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000557051737 1079102059 /nfs/dbraw/zinc/10/20/59/1079102059.db2.gz LIDYBMAOAQPKGA-KRWDZBQOSA-N 1 0 401.511 0.934 20 0 HCADRO Cc1nc2ccccc2n1CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000557051745 1079102010 /nfs/dbraw/zinc/10/20/10/1079102010.db2.gz LIDYBMAOAQPKGA-QGZVFWFLSA-N 1 0 401.511 0.934 20 0 HCADRO Cc1nc2ccccc2n1CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000557053358 1079103597 /nfs/dbraw/zinc/10/35/97/1079103597.db2.gz DGVFCNNOYGXAGY-UHFFFAOYSA-N 1 0 400.527 0.557 20 0 HCADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCCOC[C@@H]3CCCO3)CC2)CC1 ZINC000557053378 1079103504 /nfs/dbraw/zinc/10/35/04/1079103504.db2.gz CRHGUTZZFDXUNR-IBGZPJMESA-N 1 0 424.586 0.564 20 0 HCADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCCOC[C@H]3CCCO3)CC2)CC1 ZINC000557053379 1079103631 /nfs/dbraw/zinc/10/36/31/1079103631.db2.gz CRHGUTZZFDXUNR-LJQANCHMSA-N 1 0 424.586 0.564 20 0 HCADRO COCC[NH+]1CCC(NC(=O)C(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000557053405 1079103613 /nfs/dbraw/zinc/10/36/13/1079103613.db2.gz FKPCCYQRVFXEHD-UHFFFAOYSA-N 1 0 409.483 0.556 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C[NH+]1CCCCC1 ZINC000557054761 1079104145 /nfs/dbraw/zinc/10/41/45/1079104145.db2.gz RVBIQCIHBKFBCS-INIZCTEOSA-N 1 0 421.542 0.596 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C[NH+]1CCCCC1 ZINC000557054762 1079104164 /nfs/dbraw/zinc/10/41/64/1079104164.db2.gz RVBIQCIHBKFBCS-MRXNPFEDSA-N 1 0 421.542 0.596 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000557055712 1079107172 /nfs/dbraw/zinc/10/71/72/1079107172.db2.gz PLMFJARTEJGZIG-UHFFFAOYSA-N 1 0 400.523 0.847 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000557058000 1079108063 /nfs/dbraw/zinc/10/80/63/1079108063.db2.gz 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Cn1nccc1[C@@H]1[C@@H](C(=O)NCc2ccncc2OCCC[NH+](C)C)CC(=O)N1C ZINC000557062952 1079110742 /nfs/dbraw/zinc/11/07/42/1079110742.db2.gz FWZVLQKMDNDTPH-JXFKEZNVSA-N 1 0 414.510 0.981 20 0 HCADRO Cn1nccc1[C@H]1[C@@H](C(=O)NCc2ccncc2OCCC[NH+](C)C)CC(=O)N1C ZINC000557062953 1079110666 /nfs/dbraw/zinc/11/06/66/1079110666.db2.gz FWZVLQKMDNDTPH-OXJNMPFZSA-N 1 0 414.510 0.981 20 0 HCADRO Cn1nccc1[C@H]1[C@H](C(=O)NCc2ccncc2OCCC[NH+](C)C)CC(=O)N1C ZINC000557062954 1079110646 /nfs/dbraw/zinc/11/06/46/1079110646.db2.gz FWZVLQKMDNDTPH-OXQOHEQNSA-N 1 0 414.510 0.981 20 0 HCADRO Cn1nccc1[C@@H]1[C@H](C(=O)NCc2ccncc2OCCC[NH+](C)C)CC(=O)N1C ZINC000557062955 1079110751 /nfs/dbraw/zinc/11/07/51/1079110751.db2.gz FWZVLQKMDNDTPH-UZLBHIALSA-N 1 0 414.510 0.981 20 0 HCADRO O=C(C[N@H+]1CCCC[C@H]1CCO)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000557063791 1079106252 /nfs/dbraw/zinc/10/62/52/1079106252.db2.gz WHZVDDAAVZDLLG-IBGZPJMESA-N 1 0 409.552 0.898 20 0 HCADRO O=C(C[N@H+]1CCCC[C@@H]1CCO)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000557063792 1079106776 /nfs/dbraw/zinc/10/67/76/1079106776.db2.gz WHZVDDAAVZDLLG-LJQANCHMSA-N 1 0 409.552 0.898 20 0 HCADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000557064349 1079115808 /nfs/dbraw/zinc/11/58/08/1079115808.db2.gz ZESPAIPQEFSOGY-HNNXBMFYSA-N 1 0 424.567 0.742 20 0 HCADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000557064350 1079115805 /nfs/dbraw/zinc/11/58/05/1079115805.db2.gz ZESPAIPQEFSOGY-OAHLLOKOSA-N 1 0 424.567 0.742 20 0 HCADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000557067237 1079112859 /nfs/dbraw/zinc/11/28/59/1079112859.db2.gz JDZMOKSMJYGEOD-UHFFFAOYSA-N 1 0 412.556 0.055 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC[N@@H+]1C ZINC000557067446 1079112873 /nfs/dbraw/zinc/11/28/73/1079112873.db2.gz AEZIKYFLTUELPO-ATZDWAIDSA-N 1 0 406.502 0.914 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC[N@@H+]1C ZINC000557067453 1079112920 /nfs/dbraw/zinc/11/29/20/1079112920.db2.gz AEZIKYFLTUELPO-AYOQOUSVSA-N 1 0 406.502 0.914 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC[N@@H+]1C ZINC000557067456 1079112896 /nfs/dbraw/zinc/11/28/96/1079112896.db2.gz AEZIKYFLTUELPO-LZQZEXGQSA-N 1 0 406.502 0.914 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC[N@@H+]1C ZINC000557067459 1079112914 /nfs/dbraw/zinc/11/29/14/1079112914.db2.gz AEZIKYFLTUELPO-MNEFBYGVSA-N 1 0 406.502 0.914 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000557068533 1079114388 /nfs/dbraw/zinc/11/43/88/1079114388.db2.gz KPAZLYZRNAXKPW-CDHQVMDDSA-N 1 0 418.513 0.914 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000557068537 1079114301 /nfs/dbraw/zinc/11/43/01/1079114301.db2.gz KPAZLYZRNAXKPW-UIAACRFSSA-N 1 0 418.513 0.914 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000557068540 1079114325 /nfs/dbraw/zinc/11/43/25/1079114325.db2.gz KPAZLYZRNAXKPW-XPGWFJOJSA-N 1 0 418.513 0.914 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000557068545 1079113764 /nfs/dbraw/zinc/11/37/64/1079113764.db2.gz KPAZLYZRNAXKPW-YSGRDPCXSA-N 1 0 418.513 0.914 20 0 HCADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1=O ZINC000557068644 1079113848 /nfs/dbraw/zinc/11/38/48/1079113848.db2.gz MBEHMEMURAKJIL-INIZCTEOSA-N 1 0 404.515 0.363 20 0 HCADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1=O ZINC000557068646 1079113778 /nfs/dbraw/zinc/11/37/78/1079113778.db2.gz MBEHMEMURAKJIL-MRXNPFEDSA-N 1 0 404.515 0.363 20 0 HCADRO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000557069603 1079114792 /nfs/dbraw/zinc/11/47/92/1079114792.db2.gz VVGFMNSSXNMCQF-UHFFFAOYSA-N 1 0 407.511 0.873 20 0 HCADRO O=C(N[C@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000557071140 1079119004 /nfs/dbraw/zinc/11/90/04/1079119004.db2.gz ZAWRCQAMLLQXKF-HNNXBMFYSA-N 1 0 420.476 0.843 20 0 HCADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000557071141 1079119051 /nfs/dbraw/zinc/11/90/51/1079119051.db2.gz ZAWRCQAMLLQXKF-OAHLLOKOSA-N 1 0 420.476 0.843 20 0 HCADRO C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000557083182 1079123725 /nfs/dbraw/zinc/12/37/25/1079123725.db2.gz AVNKGMJLKIFYRN-GOSISDBHSA-N 1 0 401.511 0.537 20 0 HCADRO C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000557083185 1079123779 /nfs/dbraw/zinc/12/37/79/1079123779.db2.gz AVNKGMJLKIFYRN-SFHVURJKSA-N 1 0 401.511 0.537 20 0 HCADRO CCOc1cccc(N2CCN(C(=O)C(=O)NCCC3CC[NH+](C)CC3)CC2)n1 ZINC000557083756 1079121637 /nfs/dbraw/zinc/12/16/37/1079121637.db2.gz IOWCYKKBUQIZIY-UHFFFAOYSA-N 1 0 403.527 0.977 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000557084874 1079124131 /nfs/dbraw/zinc/12/41/31/1079124131.db2.gz PLNHMLNIXQLSSI-KSZLIROESA-N 1 0 416.570 0.822 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000557084880 1079124244 /nfs/dbraw/zinc/12/42/44/1079124244.db2.gz PLNHMLNIXQLSSI-KZNAEPCWSA-N 1 0 416.570 0.822 20 0 HCADRO CCn1c(N)c(C(=O)CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(=O)[nH]c1=O ZINC000564329884 1079263016 /nfs/dbraw/zinc/26/30/16/1079263016.db2.gz CTZFMHKPBNVEPT-GJZGRUSLSA-N 1 0 406.531 0.224 20 0 HCADRO CCn1c(N)c(C(=O)CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(=O)[nH]c1=O ZINC000564329885 1079262882 /nfs/dbraw/zinc/26/28/82/1079262882.db2.gz CTZFMHKPBNVEPT-HUUCEWRRSA-N 1 0 406.531 0.224 20 0 HCADRO CCOC1CC(CNC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)(N2CCOCC2)C1 ZINC000564330213 1079264279 /nfs/dbraw/zinc/26/42/79/1079264279.db2.gz IPAGSIKNQYQHSA-BXRCABCMSA-N 1 0 424.586 0.752 20 0 HCADRO CCOC1CC(CNC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)(N2CCOCC2)C1 ZINC000564330214 1079264122 /nfs/dbraw/zinc/26/41/22/1079264122.db2.gz IPAGSIKNQYQHSA-HQHQBECKSA-N 1 0 424.586 0.752 20 0 HCADRO CCOC1CC(CNC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)(N2CCOCC2)C1 ZINC000564330216 1079264487 /nfs/dbraw/zinc/26/44/87/1079264487.db2.gz IPAGSIKNQYQHSA-JREAUHRESA-N 1 0 424.586 0.752 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC000564331707 1079276571 /nfs/dbraw/zinc/27/65/71/1079276571.db2.gz WUMCSOIXTGSENR-JKSUJKDBSA-N 1 0 409.508 0.837 20 0 HCADRO CCOC1CC(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)(N2CCOCC2)C1 ZINC000564334676 1078484267 /nfs/dbraw/zinc/48/42/67/1078484267.db2.gz VUVAIELIOPVBOB-HQHQBECKSA-N 1 0 424.586 0.704 20 0 HCADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1=O ZINC000564335318 1078488837 /nfs/dbraw/zinc/48/88/37/1078488837.db2.gz PDEQUMJUWFVXRO-HRCADAONSA-N 1 0 402.499 0.067 20 0 HCADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1=O ZINC000564335324 1078488782 /nfs/dbraw/zinc/48/87/82/1078488782.db2.gz PDEQUMJUWFVXRO-JYJNAYRXSA-N 1 0 402.499 0.067 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000564336694 1078497316 /nfs/dbraw/zinc/49/73/16/1078497316.db2.gz ABYVHADHMUGELX-QGZVFWFLSA-N 1 0 403.527 0.616 20 0 HCADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000564346314 1078556337 /nfs/dbraw/zinc/55/63/37/1078556337.db2.gz QHHYOGJVGCWRBW-KURKYZTESA-N 1 0 415.604 0.514 20 0 HCADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000564346343 1078556241 /nfs/dbraw/zinc/55/62/41/1078556241.db2.gz QHHYOGJVGCWRBW-KZNAEPCWSA-N 1 0 415.604 0.514 20 0 HCADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000564346344 1078556223 /nfs/dbraw/zinc/55/62/23/1078556223.db2.gz QHHYOGJVGCWRBW-RCCFBDPRSA-N 1 0 415.604 0.514 20 0 HCADRO COc1ccc(Br)c(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000564352947 1078592423 /nfs/dbraw/zinc/59/24/23/1078592423.db2.gz XJGRWJHZQWOLPD-JOYOIKCWSA-N 1 0 404.286 0.390 20 0 HCADRO COc1ccc(Br)c(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000564352948 1078592317 /nfs/dbraw/zinc/59/23/17/1078592317.db2.gz XJGRWJHZQWOLPD-SKDRFNHKSA-N 1 0 404.286 0.390 20 0 HCADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)CCN2C1=O ZINC000564352963 1078593103 /nfs/dbraw/zinc/59/31/03/1078593103.db2.gz XZROARIMIZBIJP-MJBXVCDLSA-N 1 0 412.537 0.062 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)N2CCOCC2)o1 ZINC000564354345 1078639793 /nfs/dbraw/zinc/63/97/93/1078639793.db2.gz DWVLWFQSHLYQKL-FUHWJXTLSA-N 1 0 406.527 0.926 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)N2CCOCC2)o1 ZINC000564354353 1078639916 /nfs/dbraw/zinc/63/99/16/1078639916.db2.gz DWVLWFQSHLYQKL-SJLPKXTDSA-N 1 0 406.527 0.926 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 ZINC000564356895 1078647246 /nfs/dbraw/zinc/64/72/46/1078647246.db2.gz LADFLMVZWIVMOL-KRWDZBQOSA-N 1 0 415.494 0.292 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 ZINC000564356899 1078647327 /nfs/dbraw/zinc/64/73/27/1078647327.db2.gz LADFLMVZWIVMOL-QGZVFWFLSA-N 1 0 415.494 0.292 20 0 HCADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000564366035 1078698399 /nfs/dbraw/zinc/69/83/99/1078698399.db2.gz AKYIZQMJUOGDDF-MOPGFXCFSA-N 1 0 424.586 0.297 20 0 HCADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000564366049 1078698811 /nfs/dbraw/zinc/69/88/11/1078698811.db2.gz AKYIZQMJUOGDDF-OALUTQOASA-N 1 0 424.586 0.297 20 0 HCADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000564366071 1078698824 /nfs/dbraw/zinc/69/88/24/1078698824.db2.gz AKYIZQMJUOGDDF-RBUKOAKNSA-N 1 0 424.586 0.297 20 0 HCADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000564366074 1078699002 /nfs/dbraw/zinc/69/90/02/1078699002.db2.gz AKYIZQMJUOGDDF-RTBURBONSA-N 1 0 424.586 0.297 20 0 HCADRO CCc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)ncn1 ZINC000564368688 1078715090 /nfs/dbraw/zinc/71/50/90/1078715090.db2.gz IBWPVGHKISINJD-WMLDXEAASA-N 1 0 400.527 0.865 20 0 HCADRO CN1C(=O)COc2ccc(NC(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)cc21 ZINC000564369953 1078722645 /nfs/dbraw/zinc/72/26/45/1078722645.db2.gz NKFYFBXANJKHBP-UHFFFAOYSA-N 1 0 403.483 0.964 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000564370945 1078725681 /nfs/dbraw/zinc/72/56/81/1078725681.db2.gz PBQORFFVTDSBOG-JXFKEZNVSA-N 1 0 412.600 0.642 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000564370964 1078725641 /nfs/dbraw/zinc/72/56/41/1078725641.db2.gz PBQORFFVTDSBOG-OXJNMPFZSA-N 1 0 412.600 0.642 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000564370966 1078725842 /nfs/dbraw/zinc/72/58/42/1078725842.db2.gz PBQORFFVTDSBOG-OXQOHEQNSA-N 1 0 412.600 0.642 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000564370970 1078725615 /nfs/dbraw/zinc/72/56/15/1078725615.db2.gz PBQORFFVTDSBOG-UZLBHIALSA-N 1 0 412.600 0.642 20 0 HCADRO CN(CC[NH+](C)C)C(=O)C(=O)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000564372230 1078733350 /nfs/dbraw/zinc/73/33/50/1078733350.db2.gz VFTXRHPBQWGTEK-UHFFFAOYSA-N 1 0 403.508 0.709 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000564372582 1078739614 /nfs/dbraw/zinc/73/96/14/1078739614.db2.gz VZRFKNQKKKKNHM-DBXWQHBBSA-N 1 0 424.611 0.786 20 0 HCADRO CC(C)(C)n1ncnc1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000564373712 1078751494 /nfs/dbraw/zinc/75/14/94/1078751494.db2.gz VEDNWGGQBDRLGJ-UHFFFAOYSA-N 1 0 406.531 0.753 20 0 HCADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000564374280 1078754016 /nfs/dbraw/zinc/75/40/16/1078754016.db2.gz VGIBPGWTRAYCIF-UHFFFAOYSA-N 1 0 421.586 0.284 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](Cc3c[nH]cn3)NC(=O)CC(C)C)C2)CC1 ZINC000564383167 1078811689 /nfs/dbraw/zinc/81/16/89/1078811689.db2.gz VTBJOLCJOLGFAY-OALUTQOASA-N 1 0 404.559 0.722 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](Cc3c[nH]cn3)NC(=O)CC(C)C)C2)CC1 ZINC000564383170 1078811747 /nfs/dbraw/zinc/81/17/47/1078811747.db2.gz VTBJOLCJOLGFAY-RBUKOAKNSA-N 1 0 404.559 0.722 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](Cc3c[nH]cn3)NC(=O)CC(C)C)C2)CC1 ZINC000564383173 1078811717 /nfs/dbraw/zinc/81/17/17/1078811717.db2.gz VTBJOLCJOLGFAY-RTBURBONSA-N 1 0 404.559 0.722 20 0 HCADRO CSC1(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC[NH+](C)CC1 ZINC000564383522 1078811665 /nfs/dbraw/zinc/81/16/65/1078811665.db2.gz ZMKACVRCIVFBBQ-UHFFFAOYSA-N 1 0 416.569 0.593 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000564394559 1078844768 /nfs/dbraw/zinc/84/47/68/1078844768.db2.gz XQSXDTDGBRAQPG-UHFFFAOYSA-N 1 0 412.556 0.925 20 0 HCADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000567022573 1079023522 /nfs/dbraw/zinc/02/35/22/1079023522.db2.gz ABUJUVYYLPIWIX-IBGZPJMESA-N 1 0 414.506 0.227 20 0 HCADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2=O)n1 ZINC000572546215 1078870641 /nfs/dbraw/zinc/87/06/41/1078870641.db2.gz RLKXVOIPVZCVBS-DLBZAZTESA-N 1 0 412.494 0.451 20 0 HCADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2=O)n1 ZINC000572546216 1078870697 /nfs/dbraw/zinc/87/06/97/1078870697.db2.gz RLKXVOIPVZCVBS-IAGOWNOFSA-N 1 0 412.494 0.451 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)c1cccs1 ZINC000572546346 1078870756 /nfs/dbraw/zinc/87/07/56/1078870756.db2.gz XNKCYKOUAYNPGU-ZIAGYGMSSA-N 1 0 416.569 0.255 20 0 HCADRO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000572549978 1078879425 /nfs/dbraw/zinc/87/94/25/1078879425.db2.gz QPTHCEXHWAXBCK-QXAKKESOSA-N 1 0 424.586 0.737 20 0 HCADRO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000572549979 1078879472 /nfs/dbraw/zinc/87/94/72/1078879472.db2.gz QPTHCEXHWAXBCK-UHOSZYNNSA-N 1 0 424.586 0.737 20 0 HCADRO CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000572549980 1078879458 /nfs/dbraw/zinc/87/94/58/1078879458.db2.gz QPTHCEXHWAXBCK-WDSOQIARSA-N 1 0 424.586 0.737 20 0 HCADRO CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000572549981 1078879379 /nfs/dbraw/zinc/87/93/79/1078879379.db2.gz QPTHCEXHWAXBCK-YTQUADARSA-N 1 0 424.586 0.737 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)[C@@H](C)CO1 ZINC000572550545 1078880763 /nfs/dbraw/zinc/88/07/63/1078880763.db2.gz NUDGECCZUNEOHE-FCEWJHQRSA-N 1 0 416.522 0.636 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@@H](C)CO1 ZINC000572550546 1078880740 /nfs/dbraw/zinc/88/07/40/1078880740.db2.gz NUDGECCZUNEOHE-FRQCXROJSA-N 1 0 416.522 0.636 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@H](C)CO1 ZINC000572550547 1078880698 /nfs/dbraw/zinc/88/06/98/1078880698.db2.gz NUDGECCZUNEOHE-GPMSIDNRSA-N 1 0 416.522 0.636 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)[C@H](C)CO1 ZINC000572550548 1078880781 /nfs/dbraw/zinc/88/07/81/1078880781.db2.gz NUDGECCZUNEOHE-MDZRGWNJSA-N 1 0 416.522 0.636 20 0 HCADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000572551292 1078883447 /nfs/dbraw/zinc/88/34/47/1078883447.db2.gz OWLIRZQCPUNTDD-MRXNPFEDSA-N 1 0 417.576 0.201 20 0 HCADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2=O)n1 ZINC000572553734 1078893886 /nfs/dbraw/zinc/89/38/86/1078893886.db2.gz ALTJCINOIJSRSM-DLBZAZTESA-N 1 0 416.526 0.509 20 0 HCADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2=O)n1 ZINC000572553735 1078893935 /nfs/dbraw/zinc/89/39/35/1078893935.db2.gz ALTJCINOIJSRSM-IAGOWNOFSA-N 1 0 416.526 0.509 20 0 HCADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2=O)n1 ZINC000572553736 1078893953 /nfs/dbraw/zinc/89/39/53/1078893953.db2.gz ALTJCINOIJSRSM-IRXDYDNUSA-N 1 0 416.526 0.509 20 0 HCADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2=O)n1 ZINC000572553737 1078893916 /nfs/dbraw/zinc/89/39/16/1078893916.db2.gz ALTJCINOIJSRSM-SJORKVTESA-N 1 0 416.526 0.509 20 0 HCADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)N1 ZINC000572559890 1078924063 /nfs/dbraw/zinc/92/40/63/1078924063.db2.gz DKIZUDOKAWDEMB-INIZCTEOSA-N 1 0 406.240 0.631 20 0 HCADRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)N1 ZINC000572559891 1078924168 /nfs/dbraw/zinc/92/41/68/1078924168.db2.gz DKIZUDOKAWDEMB-MRXNPFEDSA-N 1 0 406.240 0.631 20 0 HCADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000572563963 1078938647 /nfs/dbraw/zinc/93/86/47/1078938647.db2.gz TWWLOWHQIZCKBU-UHFFFAOYSA-N 1 0 417.554 0.029 20 0 HCADRO Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C2)n(C)n1 ZINC000572564848 1078944081 /nfs/dbraw/zinc/94/40/81/1078944081.db2.gz ZCCNQTMBZKDWQM-OKZBNKHCSA-N 1 0 402.543 0.756 20 0 HCADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 ZINC000572568464 1078972719 /nfs/dbraw/zinc/97/27/19/1078972719.db2.gz UZTJHVDZJVPBJB-UHFFFAOYSA-N 1 0 412.512 0.168 20 0 HCADRO O=C(CNC(=O)NCc1ccc2c(c1)CCS2(=O)=O)NCC[NH+]1CCCCCC1 ZINC000572580785 1079026256 /nfs/dbraw/zinc/02/62/56/1079026256.db2.gz JUKJEJXNLASDGK-UHFFFAOYSA-N 1 0 422.551 0.808 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1)Cc1ccccc1 ZINC000572587806 1079052332 /nfs/dbraw/zinc/05/23/32/1079052332.db2.gz QGXQTOUGGORMSX-MSOLQXFVSA-N 1 0 404.511 0.029 20 0 HCADRO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000575010321 1078977852 /nfs/dbraw/zinc/97/78/52/1078977852.db2.gz LXEBEDZTQMYWQV-UHFFFAOYSA-N 1 0 424.567 0.955 20 0 HCADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000580537556 1079137591 /nfs/dbraw/zinc/13/75/91/1079137591.db2.gz VNYVZXMPKHQAPM-UHFFFAOYSA-N 1 0 408.524 0.795 20 0 HCADRO COCCO[C@H]1C[C@@H](CO)CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000580540392 1079176140 /nfs/dbraw/zinc/17/61/40/1079176140.db2.gz LVWJMFJESBTYBY-MOPGFXCFSA-N 1 0 406.527 0.466 20 0 HCADRO COCCO[C@H]1C[C@H](CO)CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000580540393 1079176265 /nfs/dbraw/zinc/17/62/65/1079176265.db2.gz LVWJMFJESBTYBY-OALUTQOASA-N 1 0 406.527 0.466 20 0 HCADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000580540394 1079176280 /nfs/dbraw/zinc/17/62/80/1079176280.db2.gz LVWJMFJESBTYBY-RBUKOAKNSA-N 1 0 406.527 0.466 20 0 HCADRO CC(C)OC[C@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCO1 ZINC000580543435 1079203791 /nfs/dbraw/zinc/20/37/91/1079203791.db2.gz YREKAKQZGWAHBG-GOSISDBHSA-N 1 0 419.526 0.102 20 0 HCADRO CN1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)CC3)CC1 ZINC000583615410 560776134 /nfs/dbraw/zinc/77/61/34/560776134.db2.gz YHSCEKSCYQEQAD-AWEZNQCLSA-N 1 0 416.551 0.783 20 0 HCADRO CN1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)CC3)CC1 ZINC000583615411 560776153 /nfs/dbraw/zinc/77/61/53/560776153.db2.gz YHSCEKSCYQEQAD-CQSZACIVSA-N 1 0 416.551 0.783 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nn2)CC1 ZINC000585473156 721980246 /nfs/dbraw/zinc/98/02/46/721980246.db2.gz XLAOMSGDKJLIEL-IBGZPJMESA-N 1 0 424.505 0.717 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nn2)CC1 ZINC000585473157 721980202 /nfs/dbraw/zinc/98/02/02/721980202.db2.gz XLAOMSGDKJLIEL-LJQANCHMSA-N 1 0 424.505 0.717 20 0 HCADRO CCc1cc(N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)n2ncnc2n1 ZINC000597948950 1073398746 /nfs/dbraw/zinc/39/87/46/1073398746.db2.gz RWNLLSRJSYUBOW-UHFFFAOYSA-N 1 0 400.531 0.361 20 0 HCADRO CC(C)(C)[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(N)=O ZINC000597974970 1073401168 /nfs/dbraw/zinc/40/11/68/1073401168.db2.gz NPRNOAJRYPGODC-DOMZBBRYSA-N 1 0 401.554 0.753 20 0 HCADRO CC(C)(C)[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(N)=O ZINC000597974973 1073401370 /nfs/dbraw/zinc/40/13/70/1073401370.db2.gz NPRNOAJRYPGODC-WFASDCNBSA-N 1 0 401.554 0.753 20 0 HCADRO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C(N)=O ZINC000597974991 1073401552 /nfs/dbraw/zinc/40/15/52/1073401552.db2.gz OIIMOVULACWDPM-INIZCTEOSA-N 1 0 414.503 0.148 20 0 HCADRO CC(C)(C)[C@@H]([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)C(N)=O ZINC000597975431 1073401589 /nfs/dbraw/zinc/40/15/89/1073401589.db2.gz ZBLGTRNUAOUJPE-SFHVURJKSA-N 1 0 424.567 0.967 20 0 HCADRO CC(C)(CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)NS(C)(=O)=O ZINC000598064270 1073415569 /nfs/dbraw/zinc/41/55/69/1073415569.db2.gz FOIAJLWNZVDDSK-UHFFFAOYSA-N 1 0 411.572 0.826 20 0 HCADRO CC(C)(CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)NS(C)(=O)=O ZINC000598064838 1073415533 /nfs/dbraw/zinc/41/55/33/1073415533.db2.gz ITWVPIJMAJZWQZ-UHFFFAOYSA-N 1 0 411.572 0.431 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)NS(C)(=O)=O)cn2)CC1 ZINC000598064935 1073413333 /nfs/dbraw/zinc/41/33/33/1073413333.db2.gz UXTBVJPDQAVXBY-UHFFFAOYSA-N 1 0 412.560 0.351 20 0 HCADRO C[NH+]1CCN(Cc2ccc(CNC(=O)NCC(C)(C)NS(C)(=O)=O)cc2)CC1 ZINC000598065682 1073415519 /nfs/dbraw/zinc/41/55/19/1073415519.db2.gz BUBSPUGFVRAQMM-UHFFFAOYSA-N 1 0 411.572 0.561 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC(C)(C)NS(C)(=O)=O)c1 ZINC000598086682 1073418293 /nfs/dbraw/zinc/41/82/93/1073418293.db2.gz XFAVIKWTDXGIBO-UHFFFAOYSA-N 1 0 413.544 0.105 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)NCC(C)(C)NS(C)(=O)=O)cc1 ZINC000598095129 1073419027 /nfs/dbraw/zinc/41/90/27/1073419027.db2.gz FURPMCHMBMYCPE-UHFFFAOYSA-N 1 0 400.545 0.797 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000598096297 1073415558 /nfs/dbraw/zinc/41/55/58/1073415558.db2.gz FWXCZZTYVZOOLB-UHFFFAOYSA-N 1 0 404.577 0.895 20 0 HCADRO O=C(NCCS(=O)(=O)NCC1CCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000598103437 1073419659 /nfs/dbraw/zinc/41/96/59/1073419659.db2.gz QJEYHFABZLOTAV-UHFFFAOYSA-N 1 0 402.561 0.460 20 0 HCADRO CC(C)(CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NS(C)(=O)=O ZINC000598108708 1073420663 /nfs/dbraw/zinc/42/06/63/1073420663.db2.gz ZCEFOEQTRIPSMV-UHFFFAOYSA-N 1 0 412.556 0.770 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c2ccccc2)CC1 ZINC000598110457 1073422313 /nfs/dbraw/zinc/42/23/13/1073422313.db2.gz ZBTUBLUEPGKIEV-KRWDZBQOSA-N 1 0 411.572 0.602 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c2ccccc2)CC1 ZINC000598110458 1073422239 /nfs/dbraw/zinc/42/22/39/1073422239.db2.gz ZBTUBLUEPGKIEV-QGZVFWFLSA-N 1 0 411.572 0.602 20 0 HCADRO COc1ccc([C@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)[NH+](C)C)cc1OC ZINC000598110546 1073422259 /nfs/dbraw/zinc/42/22/59/1073422259.db2.gz ZXFIIEDBSQFVLW-AWEZNQCLSA-N 1 0 416.544 0.934 20 0 HCADRO COc1ccc([C@@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)[NH+](C)C)cc1OC ZINC000598110547 1073422421 /nfs/dbraw/zinc/42/24/21/1073422421.db2.gz ZXFIIEDBSQFVLW-CQSZACIVSA-N 1 0 416.544 0.934 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1 ZINC000598119514 1073424034 /nfs/dbraw/zinc/42/40/34/1073424034.db2.gz KXNIYXCBKNCKIM-ADKAHSJRSA-N 1 0 402.605 0.874 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1 ZINC000598119515 1073423611 /nfs/dbraw/zinc/42/36/11/1073423611.db2.gz KXNIYXCBKNCKIM-LXPRWKDFSA-N 1 0 402.605 0.874 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)CC1=O ZINC000598122261 1073419128 /nfs/dbraw/zinc/41/91/28/1073419128.db2.gz JPHZXKMJPWNVHY-DJIMGWMZSA-N 1 0 408.568 0.842 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)CC1=O ZINC000598122262 1073419188 /nfs/dbraw/zinc/41/91/88/1073419188.db2.gz JPHZXKMJPWNVHY-OIISXLGYSA-N 1 0 408.568 0.842 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)CC1=O ZINC000598122263 1073418990 /nfs/dbraw/zinc/41/89/90/1073418990.db2.gz JPHZXKMJPWNVHY-UAGQMJEPSA-N 1 0 408.568 0.842 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)CC1=O ZINC000598122265 1073419136 /nfs/dbraw/zinc/41/91/36/1073419136.db2.gz JPHZXKMJPWNVHY-USXIJHARSA-N 1 0 408.568 0.842 20 0 HCADRO CCCCN(C(=O)C[NH2+]C1(CO)CCOCC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000598140816 1073424015 /nfs/dbraw/zinc/42/40/15/1073424015.db2.gz SRGSHFYDLLDTNA-UHFFFAOYSA-N 1 0 411.503 0.205 20 0 HCADRO CC(C)[C@H](CNC(=O)NCCS(=O)(=O)NCC1CCC1)[NH+]1CCN(C)CC1 ZINC000598245486 1073437027 /nfs/dbraw/zinc/43/70/27/1073437027.db2.gz QZSAWXGKJMNJJK-KRWDZBQOSA-N 1 0 403.593 0.277 20 0 HCADRO CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)NCC1CCC1)[NH+]1CCN(C)CC1 ZINC000598245487 1073437245 /nfs/dbraw/zinc/43/72/45/1073437245.db2.gz QZSAWXGKJMNJJK-QGZVFWFLSA-N 1 0 403.593 0.277 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000598268788 1073440243 /nfs/dbraw/zinc/44/02/43/1073440243.db2.gz QXTYBUNDVOPDIA-UHFFFAOYSA-N 1 0 402.543 0.898 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000598270074 1073440077 /nfs/dbraw/zinc/44/00/77/1073440077.db2.gz ZPWGSBQDMSRHIN-UHFFFAOYSA-N 1 0 405.543 0.979 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000598286598 1073442645 /nfs/dbraw/zinc/44/26/45/1073442645.db2.gz BKDCLFDFXZXDJZ-UHFFFAOYSA-N 1 0 423.558 0.651 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC000598291806 1073442482 /nfs/dbraw/zinc/44/24/82/1073442482.db2.gz OEYTTXFUOQYPHX-INIZCTEOSA-N 1 0 421.517 0.712 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC000598291807 1073442689 /nfs/dbraw/zinc/44/26/89/1073442689.db2.gz OEYTTXFUOQYPHX-MRXNPFEDSA-N 1 0 421.517 0.712 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000598300154 1073441548 /nfs/dbraw/zinc/44/15/48/1073441548.db2.gz OCPNYHPXINWKOS-UHFFFAOYSA-N 1 0 403.593 0.373 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000598303112 1073442504 /nfs/dbraw/zinc/44/25/04/1073442504.db2.gz NDJSNYMSQUJVGI-HOTGVXAUSA-N 1 0 403.593 0.514 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000598303113 1073442658 /nfs/dbraw/zinc/44/26/58/1073442658.db2.gz NDJSNYMSQUJVGI-HZPDHXFCSA-N 1 0 403.593 0.514 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000598303114 1073442666 /nfs/dbraw/zinc/44/26/66/1073442666.db2.gz NDJSNYMSQUJVGI-IYBDPMFKSA-N 1 0 403.593 0.514 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000598304017 1073442635 /nfs/dbraw/zinc/44/26/35/1073442635.db2.gz ZNPUIPXEKRSLLM-GOSISDBHSA-N 1 0 401.511 0.988 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000598304019 1073442621 /nfs/dbraw/zinc/44/26/21/1073442621.db2.gz ZNPUIPXEKRSLLM-SFHVURJKSA-N 1 0 401.511 0.988 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000598322826 1073450473 /nfs/dbraw/zinc/45/04/73/1073450473.db2.gz NFKZAFPCFYUDJS-IBGZPJMESA-N 1 0 408.591 0.351 20 0 HCADRO CN(C)C(=O)CN1CCC(NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000598322832 1073449197 /nfs/dbraw/zinc/44/91/97/1073449197.db2.gz NFKZAFPCFYUDJS-LJQANCHMSA-N 1 0 408.591 0.351 20 0 HCADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC1 ZINC000598338293 1073452770 /nfs/dbraw/zinc/45/27/70/1073452770.db2.gz BVRJIJPNFXLTJY-UHFFFAOYSA-N 1 0 412.487 0.857 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000598340687 1073452710 /nfs/dbraw/zinc/45/27/10/1073452710.db2.gz RYCIOLNABWZPLP-GFCCVEGCSA-N 1 0 400.476 0.761 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000598340688 1073452811 /nfs/dbraw/zinc/45/28/11/1073452811.db2.gz RYCIOLNABWZPLP-LBPRGKRZSA-N 1 0 400.476 0.761 20 0 HCADRO O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000598344373 1073451917 /nfs/dbraw/zinc/45/19/17/1073451917.db2.gz COCQXDPKWVUQKD-HNNXBMFYSA-N 1 0 424.498 0.905 20 0 HCADRO O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000598344376 1073451188 /nfs/dbraw/zinc/45/11/88/1073451188.db2.gz COCQXDPKWVUQKD-OAHLLOKOSA-N 1 0 424.498 0.905 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)c1 ZINC000598357640 1073461553 /nfs/dbraw/zinc/46/15/53/1073461553.db2.gz AGLMTIKPYMJTKT-UHFFFAOYSA-N 1 0 400.501 0.010 20 0 HCADRO CC(C)(CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)NS(C)(=O)=O ZINC000598358654 1073462549 /nfs/dbraw/zinc/46/25/49/1073462549.db2.gz IENLDXGNSXNJTI-UHFFFAOYSA-N 1 0 410.540 0.707 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)cc1 ZINC000598359850 1073462865 /nfs/dbraw/zinc/46/28/65/1073462865.db2.gz RIYONAQGWSCUTG-UHFFFAOYSA-N 1 0 400.501 0.010 20 0 HCADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000598360345 1073463577 /nfs/dbraw/zinc/46/35/77/1073463577.db2.gz YGXMOFLFZJGFQO-UHFFFAOYSA-N 1 0 400.501 0.139 20 0 HCADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)cc1 ZINC000598364693 1073453694 /nfs/dbraw/zinc/45/36/94/1073453694.db2.gz JWFLKQJNVUGQAR-UHFFFAOYSA-N 1 0 414.528 0.400 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCOC[C@@H]3CCOC3)c2)CC1 ZINC000598365048 1073455611 /nfs/dbraw/zinc/45/56/11/1073455611.db2.gz DTOLLBIVHBXQLI-GOSISDBHSA-N 1 0 404.511 0.542 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCOC[C@H]3CCOC3)c2)CC1 ZINC000598365051 1073455557 /nfs/dbraw/zinc/45/55/57/1073455557.db2.gz DTOLLBIVHBXQLI-SFHVURJKSA-N 1 0 404.511 0.542 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCOC[C@H]3CCOC3)ccc2oc1=O ZINC000598365143 1073456104 /nfs/dbraw/zinc/45/61/04/1073456104.db2.gz FLEPHNOJZPQCIV-AWEZNQCLSA-N 1 0 420.466 0.264 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCOC[C@@H]3CCOC3)ccc2oc1=O ZINC000598365144 1073455781 /nfs/dbraw/zinc/45/57/81/1073455781.db2.gz FLEPHNOJZPQCIV-CQSZACIVSA-N 1 0 420.466 0.264 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCOC[C@H]3CCOC3)cc2)CC1 ZINC000598365658 1073454783 /nfs/dbraw/zinc/45/47/83/1073454783.db2.gz NYGZAZMLDQZNDX-IBGZPJMESA-N 1 0 418.538 0.932 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCOC[C@@H]3CCOC3)cc2)CC1 ZINC000598365659 1073454355 /nfs/dbraw/zinc/45/43/55/1073454355.db2.gz NYGZAZMLDQZNDX-LJQANCHMSA-N 1 0 418.538 0.932 20 0 HCADRO CNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CC1 ZINC000598383737 1073464943 /nfs/dbraw/zinc/46/49/43/1073464943.db2.gz AEPNNCMBTJOOPE-UHFFFAOYSA-N 1 0 411.510 0.067 20 0 HCADRO COC(=O)[C@H]1CN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC[N@H+](C)C1 ZINC000598790226 1073491211 /nfs/dbraw/zinc/49/12/11/1073491211.db2.gz CWEGLNUBULKJLO-GFCCVEGCSA-N 1 0 403.888 0.888 20 0 HCADRO COC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC[N@H+](C)C1 ZINC000598790230 1073490503 /nfs/dbraw/zinc/49/05/03/1073490503.db2.gz CWEGLNUBULKJLO-LBPRGKRZSA-N 1 0 403.888 0.888 20 0 HCADRO CCCCS(=O)(=O)N1CCC(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000598791782 1073491174 /nfs/dbraw/zinc/49/11/74/1073491174.db2.gz LQLNVTCROLDAFK-INIZCTEOSA-N 1 0 403.545 0.392 20 0 HCADRO CCCCS(=O)(=O)N1CCC(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000598791784 1073490935 /nfs/dbraw/zinc/49/09/35/1073490935.db2.gz LQLNVTCROLDAFK-MRXNPFEDSA-N 1 0 403.545 0.392 20 0 HCADRO COC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC[N@H+](C)C1 ZINC000598792937 1073492370 /nfs/dbraw/zinc/49/23/70/1073492370.db2.gz VXECOGIAWYGHOM-BBRMVZONSA-N 1 0 409.508 0.574 20 0 HCADRO COC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC[N@H+](C)C1 ZINC000598792938 1073492162 /nfs/dbraw/zinc/49/21/62/1073492162.db2.gz VXECOGIAWYGHOM-CJNGLKHVSA-N 1 0 409.508 0.574 20 0 HCADRO COC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC[N@H+](C)C1 ZINC000598792939 1073492524 /nfs/dbraw/zinc/49/25/24/1073492524.db2.gz VXECOGIAWYGHOM-CZUORRHYSA-N 1 0 409.508 0.574 20 0 HCADRO COC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC[N@H+](C)C1 ZINC000598792941 1073493282 /nfs/dbraw/zinc/49/32/82/1073493282.db2.gz VXECOGIAWYGHOM-XJKSGUPXSA-N 1 0 409.508 0.574 20 0 HCADRO COC(=O)[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)CC[N@H+](C)C1 ZINC000598793216 1073492450 /nfs/dbraw/zinc/49/24/50/1073492450.db2.gz XMWQJLRCIJPVIM-HNNXBMFYSA-N 1 0 409.508 0.712 20 0 HCADRO COC(=O)[C@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)CC[N@H+](C)C1 ZINC000598793217 1073491895 /nfs/dbraw/zinc/49/18/95/1073491895.db2.gz XMWQJLRCIJPVIM-OAHLLOKOSA-N 1 0 409.508 0.712 20 0 HCADRO Cc1c(C(=O)NC2CCS(=O)(=O)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000598849333 1073503809 /nfs/dbraw/zinc/50/38/09/1073503809.db2.gz PRZNMTOACFRARI-UHFFFAOYSA-N 1 0 403.508 0.871 20 0 HCADRO C[C@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C[NH+]1CCCCC1 ZINC000598891210 1073508458 /nfs/dbraw/zinc/50/84/58/1073508458.db2.gz RFNGQCPKUNMMCD-CYBMUJFWSA-N 1 0 404.496 0.950 20 0 HCADRO C[C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C[NH+]1CCCCC1 ZINC000598891221 1073508505 /nfs/dbraw/zinc/50/85/05/1073508505.db2.gz RFNGQCPKUNMMCD-ZDUSSCGKSA-N 1 0 404.496 0.950 20 0 HCADRO CCC[NH+]1CCC(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 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ODYFPKKJPVDSEC-RBBKRZOGSA-N 1 0 416.566 0.845 20 0 HCADRO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000599036949 1073537244 /nfs/dbraw/zinc/53/72/44/1073537244.db2.gz ODYFPKKJPVDSEC-UNMCSNQZSA-N 1 0 416.566 0.845 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCNC(=O)c2[nH]nc3ccccc32)CC1 ZINC000599097901 1073555740 /nfs/dbraw/zinc/55/57/40/1073555740.db2.gz PZUXHAYYANOVSY-UHFFFAOYSA-N 1 0 414.510 0.742 20 0 HCADRO CCN1CCN(C(=O)[C@H](C)n2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)CC1 ZINC000599120713 1073564149 /nfs/dbraw/zinc/56/41/49/1073564149.db2.gz DLDLEWGDMVDTFP-HKUYNNGSSA-N 1 0 413.526 0.972 20 0 HCADRO CCN1CCN(C(=O)[C@@H](C)n2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)CC1 ZINC000599120714 1073564220 /nfs/dbraw/zinc/56/42/20/1073564220.db2.gz DLDLEWGDMVDTFP-IEBWSBKVSA-N 1 0 413.526 0.972 20 0 HCADRO CC[NH+]1CCC(NC(=O)Cn2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)CC1 ZINC000599121171 1073557809 /nfs/dbraw/zinc/55/78/09/1073557809.db2.gz OOJQAAKEHVLUAO-IBGZPJMESA-N 1 0 413.526 0.847 20 0 HCADRO CC[NH+]1CCC(NC(=O)Cn2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)CC1 ZINC000599121172 1073557958 /nfs/dbraw/zinc/55/79/58/1073557958.db2.gz OOJQAAKEHVLUAO-LJQANCHMSA-N 1 0 413.526 0.847 20 0 HCADRO CC(C)(C)C[N@H+](CCO)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000599162182 1073573286 /nfs/dbraw/zinc/57/32/86/1073573286.db2.gz AMAPJXNHQXJNAN-UHFFFAOYSA-N 1 0 413.540 0.986 20 0 HCADRO CC(C)(C)C[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000599162189 1073573387 /nfs/dbraw/zinc/57/33/87/1073573387.db2.gz BCHJDHOBYJTGCI-UHFFFAOYSA-N 1 0 415.531 0.999 20 0 HCADRO CC(C)(C)C[N@H+](CCO)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000599162266 1073573917 /nfs/dbraw/zinc/57/39/17/1073573917.db2.gz HOZJRZZMRUPPIZ-UHFFFAOYSA-N 1 0 413.540 0.986 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](CCO)CC(C)(C)C)CC1 ZINC000599162703 1073572773 /nfs/dbraw/zinc/57/27/73/1073572773.db2.gz WBGVFYOFHRDWJX-UHFFFAOYSA-N 1 0 416.544 0.465 20 0 HCADRO CCN(C(=O)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000599169307 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QLMZMGBESRRZMN-OAQYLSRUSA-N 1 0 415.582 0.993 20 0 HCADRO Cc1cc(NC(=O)CN[C@@](C)(CO)c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000599171893 1073575089 /nfs/dbraw/zinc/57/50/89/1073575089.db2.gz KXMLYXBNNJKGJS-APWZRJJASA-N 1 0 406.508 0.987 20 0 HCADRO Cc1cc(NC(=O)CN[C@@](C)(CO)c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000599171894 1073575138 /nfs/dbraw/zinc/57/51/38/1073575138.db2.gz KXMLYXBNNJKGJS-LPHOPBHVSA-N 1 0 406.508 0.987 20 0 HCADRO Cc1cc(NC(=O)CN[C@](C)(CO)c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000599171895 1073575006 /nfs/dbraw/zinc/57/50/06/1073575006.db2.gz KXMLYXBNNJKGJS-QFBILLFUSA-N 1 0 406.508 0.987 20 0 HCADRO Cc1cc(NC(=O)CN[C@](C)(CO)c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000599171896 1073574852 /nfs/dbraw/zinc/57/48/52/1073574852.db2.gz KXMLYXBNNJKGJS-VQIMIIECSA-N 1 0 406.508 0.987 20 0 HCADRO Cn1c(=O)c(C(=O)CN[C@](C)(CO)c2ccccc2)c(N)n(Cc2ccccc2)c1=O ZINC000599173429 1073575434 /nfs/dbraw/zinc/57/54/34/1073575434.db2.gz WVPXRYDOQIFJLS-HSZRJFAPSA-N 1 0 422.485 0.858 20 0 HCADRO 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C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000599296108 1073597778 /nfs/dbraw/zinc/59/77/78/1073597778.db2.gz NJMOOMYZEVUVPR-QGZVFWFLSA-N 1 0 408.524 0.995 20 0 HCADRO C[C@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000599301235 1073599003 /nfs/dbraw/zinc/59/90/03/1073599003.db2.gz KHDFFKBNFBLECT-GOSISDBHSA-N 1 0 400.523 0.436 20 0 HCADRO C[C@@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000599301236 1073598632 /nfs/dbraw/zinc/59/86/32/1073598632.db2.gz KHDFFKBNFBLECT-SFHVURJKSA-N 1 0 400.523 0.436 20 0 HCADRO CCNC(=O)CN1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000599308388 1073595486 /nfs/dbraw/zinc/59/54/86/1073595486.db2.gz JQIFUTRWAZUNAY-UHFFFAOYSA-N 1 0 401.555 0.869 20 0 HCADRO O=C(CN1CCC(=O)NC1=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000599321373 1073603546 /nfs/dbraw/zinc/60/35/46/1073603546.db2.gz AYCPYGZDMFISQV-KRWDZBQOSA-N 1 0 414.510 0.384 20 0 HCADRO O=C(CN1CCC(=O)NC1=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 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C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000603317009 1073505560 /nfs/dbraw/zinc/50/55/60/1073505560.db2.gz BZEGROCZOCKZOG-DZJNRPSUSA-N 1 0 413.584 0.943 20 0 HCADRO C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000603317012 1073504978 /nfs/dbraw/zinc/50/49/78/1073504978.db2.gz BZEGROCZOCKZOG-DZOHQFGASA-N 1 0 413.584 0.943 20 0 HCADRO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000603317015 1073505147 /nfs/dbraw/zinc/50/51/47/1073505147.db2.gz BZEGROCZOCKZOG-HPBDAGMYSA-N 1 0 413.584 0.943 20 0 HCADRO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000603317018 1073505021 /nfs/dbraw/zinc/50/50/21/1073505021.db2.gz BZEGROCZOCKZOG-OWLYRPNTSA-N 1 0 413.584 0.943 20 0 HCADRO C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C1CC[NH+](C)CC1 ZINC000603322532 1073506213 /nfs/dbraw/zinc/50/62/13/1073506213.db2.gz MNMNNGBOEVACOS-AWEZNQCLSA-N 1 0 410.540 0.631 20 0 HCADRO C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C1CC[NH+](C)CC1 ZINC000603322536 1073506023 /nfs/dbraw/zinc/50/60/23/1073506023.db2.gz MNMNNGBOEVACOS-CQSZACIVSA-N 1 0 410.540 0.631 20 0 HCADRO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CC[NH+](C)CC1 ZINC000603326750 1073504485 /nfs/dbraw/zinc/50/44/85/1073504485.db2.gz SWCICHUPVRUROD-AWEZNQCLSA-N 1 0 408.524 0.267 20 0 HCADRO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CC[NH+](C)CC1 ZINC000603326755 1073504326 /nfs/dbraw/zinc/50/43/26/1073504326.db2.gz SWCICHUPVRUROD-CQSZACIVSA-N 1 0 408.524 0.267 20 0 HCADRO COCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1 ZINC000603445554 1073522664 /nfs/dbraw/zinc/52/26/64/1073522664.db2.gz QUVIDKOLUODPFE-HNNXBMFYSA-N 1 0 405.495 0.953 20 0 HCADRO COCCNC(=O)C1CC[NH+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1 ZINC000603445555 1073522504 /nfs/dbraw/zinc/52/25/04/1073522504.db2.gz QUVIDKOLUODPFE-OAHLLOKOSA-N 1 0 405.495 0.953 20 0 HCADRO COCCNC(=O)C1CC[NH+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)CC1 ZINC000603447669 1073523407 /nfs/dbraw/zinc/52/34/07/1073523407.db2.gz WVBHBWTUBMHLSM-IBGZPJMESA-N 1 0 417.506 0.588 20 0 HCADRO COCCNC(=O)C1CC[NH+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)CC1 ZINC000603447670 1073523446 /nfs/dbraw/zinc/52/34/46/1073523446.db2.gz WVBHBWTUBMHLSM-LJQANCHMSA-N 1 0 417.506 0.588 20 0 HCADRO Cc1c(NC(=O)CSCC(=O)NCC[NH+](C)C)c(=O)n(-c2ccccc2)n1C ZINC000603465950 1073532373 /nfs/dbraw/zinc/53/23/73/1073532373.db2.gz HGENIDPWJVVYLK-UHFFFAOYSA-N 1 0 405.524 0.834 20 0 HCADRO COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCC[NH+](C)C)CC1 ZINC000603466087 1073532205 /nfs/dbraw/zinc/53/22/05/1073532205.db2.gz ORIBJKDDAVJXAN-UHFFFAOYSA-N 1 0 411.524 0.942 20 0 HCADRO COc1cc(C[NH2+][C@@H](C)CS(C)(=O)=O)ccc1OCC(=O)N1CCOCC1 ZINC000603516993 1073552466 /nfs/dbraw/zinc/55/24/66/1073552466.db2.gz MBATWFZQLLRWOW-AWEZNQCLSA-N 1 0 400.497 0.456 20 0 HCADRO COc1cc(C[NH2+][C@H](C)CS(C)(=O)=O)ccc1OCC(=O)N1CCOCC1 ZINC000603516995 1073552201 /nfs/dbraw/zinc/55/22/01/1073552201.db2.gz MBATWFZQLLRWOW-CQSZACIVSA-N 1 0 400.497 0.456 20 0 HCADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000603523749 1073554197 /nfs/dbraw/zinc/55/41/97/1073554197.db2.gz DFGVIVXBQNJMLE-INIZCTEOSA-N 1 0 410.544 0.057 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000603523750 1073554065 /nfs/dbraw/zinc/55/40/65/1073554065.db2.gz DFGVIVXBQNJMLE-MRXNPFEDSA-N 1 0 410.544 0.057 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000603526200 1073555042 /nfs/dbraw/zinc/55/50/42/1073555042.db2.gz HVVOQUHRJWGIJV-LJQANCHMSA-N 1 0 423.583 0.527 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](S(=O)(=O)NC)C3)cn2)CC1 ZINC000603526649 1073555581 /nfs/dbraw/zinc/55/55/81/1073555581.db2.gz UZNNETLDRXIGFB-KRWDZBQOSA-N 1 0 424.571 0.447 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H](S(=O)(=O)NC)C3)cn2)CC1 ZINC000603526659 1073555886 /nfs/dbraw/zinc/55/58/86/1073555886.db2.gz UZNNETLDRXIGFB-QGZVFWFLSA-N 1 0 424.571 0.447 20 0 HCADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000603526795 1073555841 /nfs/dbraw/zinc/55/58/41/1073555841.db2.gz CBZUEHABSIDACD-IBGZPJMESA-N 1 0 423.583 0.922 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000603526796 1073555995 /nfs/dbraw/zinc/55/59/95/1073555995.db2.gz CBZUEHABSIDACD-LJQANCHMSA-N 1 0 423.583 0.922 20 0 HCADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000603526942 1073554944 /nfs/dbraw/zinc/55/49/44/1073554944.db2.gz HNQPWTPATMEUTM-IBGZPJMESA-N 1 0 423.583 0.657 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000603526943 1073555257 /nfs/dbraw/zinc/55/52/57/1073555257.db2.gz HNQPWTPATMEUTM-LJQANCHMSA-N 1 0 423.583 0.657 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000603533433 1073557196 /nfs/dbraw/zinc/55/71/96/1073557196.db2.gz BWSZPBAIICFVFP-GOSISDBHSA-N 1 0 412.556 0.893 20 0 HCADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000603533434 1073557154 /nfs/dbraw/zinc/55/71/54/1073557154.db2.gz BWSZPBAIICFVFP-SFHVURJKSA-N 1 0 412.556 0.893 20 0 HCADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000603533507 1073556813 /nfs/dbraw/zinc/55/68/13/1073556813.db2.gz KGQHWLAUCVCBFL-KRWDZBQOSA-N 1 0 401.577 0.268 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000603533514 1073556754 /nfs/dbraw/zinc/55/67/54/1073556754.db2.gz KGQHWLAUCVCBFL-QGZVFWFLSA-N 1 0 401.577 0.268 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCc3c2cnn3CCO)CC1=O ZINC000603545778 1073564358 /nfs/dbraw/zinc/56/43/58/1073564358.db2.gz QVJBYNXWOBOGQD-JFIYKMOQSA-N 1 0 403.527 0.702 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCCc3c2cnn3CCO)CC1=O ZINC000603545779 1073564042 /nfs/dbraw/zinc/56/40/42/1073564042.db2.gz QVJBYNXWOBOGQD-JZXOWHBKSA-N 1 0 403.527 0.702 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCc3c2cnn3CCO)CC1=O ZINC000603545780 1073564083 /nfs/dbraw/zinc/56/40/83/1073564083.db2.gz QVJBYNXWOBOGQD-LZLYRXPVSA-N 1 0 403.527 0.702 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCc3c2cnn3CCO)CC1=O ZINC000603545781 1073564440 /nfs/dbraw/zinc/56/44/40/1073564440.db2.gz QVJBYNXWOBOGQD-NUJGCVRESA-N 1 0 403.527 0.702 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC(Oc3ccncc3)C2)cc1 ZINC000603547076 1073564268 /nfs/dbraw/zinc/56/42/68/1073564268.db2.gz IFZUDCPWBJASKL-UHFFFAOYSA-N 1 0 418.475 0.998 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000603547417 1073564123 /nfs/dbraw/zinc/56/41/23/1073564123.db2.gz DFVRCPUGVCTGHC-UHFFFAOYSA-N 1 0 422.511 0.710 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000603548471 1073564812 /nfs/dbraw/zinc/56/48/12/1073564812.db2.gz XISGDBVRORVXOX-KRWDZBQOSA-N 1 0 408.524 0.914 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000603548472 1073564787 /nfs/dbraw/zinc/56/47/87/1073564787.db2.gz XISGDBVRORVXOX-QGZVFWFLSA-N 1 0 408.524 0.914 20 0 HCADRO O=C(CNC1CC[NH+](CCN2CCOCC2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000603550556 1073558580 /nfs/dbraw/zinc/55/85/80/1073558580.db2.gz FNHWKXOGXHUPOK-UHFFFAOYSA-N 1 0 404.511 0.783 20 0 HCADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[C@H](C[NH+](C)C)C3)CC2)c1 ZINC000603554029 1073561395 /nfs/dbraw/zinc/56/13/95/1073561395.db2.gz QFRGLKZWQYEULF-GOSISDBHSA-N 1 0 408.568 0.857 20 0 HCADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[C@@H](C[NH+](C)C)C3)CC2)c1 ZINC000603554034 1073561375 /nfs/dbraw/zinc/56/13/75/1073561375.db2.gz QFRGLKZWQYEULF-SFHVURJKSA-N 1 0 408.568 0.857 20 0 HCADRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000603554506 1073561277 /nfs/dbraw/zinc/56/12/77/1073561277.db2.gz AVMGKIHFGUAVBV-AWEZNQCLSA-N 1 0 401.554 0.722 20 0 HCADRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000603554507 1073561385 /nfs/dbraw/zinc/56/13/85/1073561385.db2.gz AVMGKIHFGUAVBV-CQSZACIVSA-N 1 0 401.554 0.722 20 0 HCADRO C[C@H](CNC(=O)c1cc(I)ccc1-n1cnnn1)[NH+](C)C ZINC000603571381 1073565128 /nfs/dbraw/zinc/56/51/28/1073565128.db2.gz DVHGHMRLZUJANH-SECBINFHSA-N 1 0 400.224 0.947 20 0 HCADRO C[C@@H](CNC(=O)c1cc(I)ccc1-n1cnnn1)[NH+](C)C ZINC000603571382 1073564955 /nfs/dbraw/zinc/56/49/55/1073564955.db2.gz DVHGHMRLZUJANH-VIFPVBQESA-N 1 0 400.224 0.947 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC000603579368 1073570772 /nfs/dbraw/zinc/57/07/72/1073570772.db2.gz ITTJXXTYPUGPLI-UHFFFAOYSA-N 1 0 404.515 0.441 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC000603579791 1073571106 /nfs/dbraw/zinc/57/11/06/1073571106.db2.gz GROHETCQEBSQMJ-UHFFFAOYSA-N 1 0 404.515 0.439 20 0 HCADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CC[NH+](C4CCC4)CC3)cn2)CC1 ZINC000603580413 1073571086 /nfs/dbraw/zinc/57/10/86/1073571086.db2.gz JTXCGHKSMNFPQH-UHFFFAOYSA-N 1 0 422.555 0.865 20 0 HCADRO CCOC(=O)c1c[nH]nc1S(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000603584863 1073573744 /nfs/dbraw/zinc/57/37/44/1073573744.db2.gz WTJJXQUHYCXYLO-UHFFFAOYSA-N 1 0 421.523 0.683 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000603599216 1073579617 /nfs/dbraw/zinc/57/96/17/1073579617.db2.gz KMVCNDAJHBWZLT-MOPGFXCFSA-N 1 0 423.583 0.698 20 0 HCADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000603599217 1073579465 /nfs/dbraw/zinc/57/94/65/1073579465.db2.gz KMVCNDAJHBWZLT-OALUTQOASA-N 1 0 423.583 0.698 20 0 HCADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000603599218 1073579789 /nfs/dbraw/zinc/57/97/89/1073579789.db2.gz KMVCNDAJHBWZLT-RBUKOAKNSA-N 1 0 423.583 0.698 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000603599219 1073579538 /nfs/dbraw/zinc/57/95/38/1073579538.db2.gz KMVCNDAJHBWZLT-RTBURBONSA-N 1 0 423.583 0.698 20 0 HCADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000603599908 1073576282 /nfs/dbraw/zinc/57/62/82/1073576282.db2.gz TXYRPRRYCGAATR-IBGZPJMESA-N 1 0 424.567 0.867 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000603599909 1073576161 /nfs/dbraw/zinc/57/61/61/1073576161.db2.gz TXYRPRRYCGAATR-LJQANCHMSA-N 1 0 424.567 0.867 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC[NH+]2CCCC2)o1 ZINC000603602536 1073576821 /nfs/dbraw/zinc/57/68/21/1073576821.db2.gz JOTZMCLHWZRNDL-AWEZNQCLSA-N 1 0 413.496 0.821 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC[NH+]2CCCC2)o1 ZINC000603602537 1073576574 /nfs/dbraw/zinc/57/65/74/1073576574.db2.gz JOTZMCLHWZRNDL-CQSZACIVSA-N 1 0 413.496 0.821 20 0 HCADRO Cc1ccccc1C[N@@H+]1CCCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000603603191 1073576644 /nfs/dbraw/zinc/57/66/44/1073576644.db2.gz QYACBBDFFLQMSI-SFHVURJKSA-N 1 0 422.551 0.516 20 0 HCADRO CC(=O)NCc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603616691 1073584951 /nfs/dbraw/zinc/58/49/51/1073584951.db2.gz CIHCWAUUBZULRW-IBGZPJMESA-N 1 0 402.495 0.975 20 0 HCADRO CC(=O)NCc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000603616692 1073585116 /nfs/dbraw/zinc/58/51/16/1073585116.db2.gz CIHCWAUUBZULRW-LJQANCHMSA-N 1 0 402.495 0.975 20 0 HCADRO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000603618271 1073585667 /nfs/dbraw/zinc/58/56/67/1073585667.db2.gz MDLNYVIUKKNTNL-INIZCTEOSA-N 1 0 409.508 0.646 20 0 HCADRO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000603618272 1073585523 /nfs/dbraw/zinc/58/55/23/1073585523.db2.gz MDLNYVIUKKNTNL-MRXNPFEDSA-N 1 0 409.508 0.646 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](C)[NH+](C)C)CC2)o1 ZINC000603620707 1073580639 /nfs/dbraw/zinc/58/06/39/1073580639.db2.gz NVXAYDPLIWIJKZ-CYBMUJFWSA-N 1 0 415.512 0.923 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](C)[NH+](C)C)CC2)o1 ZINC000603620708 1073580875 /nfs/dbraw/zinc/58/08/75/1073580875.db2.gz NVXAYDPLIWIJKZ-ZDUSSCGKSA-N 1 0 415.512 0.923 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@@H](C)[NH+](C)C)o1 ZINC000603620734 1073580791 /nfs/dbraw/zinc/58/07/91/1073580791.db2.gz WLLNWDHVGHLMIT-CHWSQXEVSA-N 1 0 401.485 0.676 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@@H](C)[NH+](C)C)o1 ZINC000603620735 1073580629 /nfs/dbraw/zinc/58/06/29/1073580629.db2.gz WLLNWDHVGHLMIT-OLZOCXBDSA-N 1 0 401.485 0.676 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000603620736 1073580673 /nfs/dbraw/zinc/58/06/73/1073580673.db2.gz WLLNWDHVGHLMIT-QWHCGFSZSA-N 1 0 401.485 0.676 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000603620737 1073580901 /nfs/dbraw/zinc/58/09/01/1073580901.db2.gz WLLNWDHVGHLMIT-STQMWFEESA-N 1 0 401.485 0.676 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000603622414 1073580727 /nfs/dbraw/zinc/58/07/27/1073580727.db2.gz VJVOFJIZNYVPEM-KRWDZBQOSA-N 1 0 415.538 0.813 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000603622416 1073580750 /nfs/dbraw/zinc/58/07/50/1073580750.db2.gz VJVOFJIZNYVPEM-QGZVFWFLSA-N 1 0 415.538 0.813 20 0 HCADRO CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000603623161 1073580686 /nfs/dbraw/zinc/58/06/86/1073580686.db2.gz IOCVQBCZKWNKCY-INIZCTEOSA-N 1 0 401.511 0.423 20 0 HCADRO CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000603623163 1073580805 /nfs/dbraw/zinc/58/08/05/1073580805.db2.gz IOCVQBCZKWNKCY-MRXNPFEDSA-N 1 0 401.511 0.423 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000603625228 1073581893 /nfs/dbraw/zinc/58/18/93/1073581893.db2.gz WRGVJRHHNUAKCZ-GOSISDBHSA-N 1 0 422.551 0.804 20 0 HCADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000603625229 1073581731 /nfs/dbraw/zinc/58/17/31/1073581731.db2.gz WRGVJRHHNUAKCZ-SFHVURJKSA-N 1 0 422.551 0.804 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000603652836 1073589363 /nfs/dbraw/zinc/58/93/63/1073589363.db2.gz KGKBJWTWZYPPNS-GOSISDBHSA-N 1 0 419.526 0.983 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000603652837 1073589654 /nfs/dbraw/zinc/58/96/54/1073589654.db2.gz KGKBJWTWZYPPNS-SFHVURJKSA-N 1 0 419.526 0.983 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000603652856 1073589305 /nfs/dbraw/zinc/58/93/05/1073589305.db2.gz NCKLOWXCSJBUKA-UHFFFAOYSA-N 1 0 405.499 0.737 20 0 HCADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)C1 ZINC000603658518 1073589692 /nfs/dbraw/zinc/58/96/92/1073589692.db2.gz RZVLJFLARZKDLB-DLBZAZTESA-N 1 0 403.545 0.693 20 0 HCADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)C1 ZINC000603658520 1073589755 /nfs/dbraw/zinc/58/97/55/1073589755.db2.gz RZVLJFLARZKDLB-IAGOWNOFSA-N 1 0 403.545 0.693 20 0 HCADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)C1 ZINC000603658522 1073589232 /nfs/dbraw/zinc/58/92/32/1073589232.db2.gz RZVLJFLARZKDLB-IRXDYDNUSA-N 1 0 403.545 0.693 20 0 HCADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)C1 ZINC000603658523 1073589510 /nfs/dbraw/zinc/58/95/10/1073589510.db2.gz RZVLJFLARZKDLB-SJORKVTESA-N 1 0 403.545 0.693 20 0 HCADRO CCOC(=O)C1CCN(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000603658533 1073589589 /nfs/dbraw/zinc/58/95/89/1073589589.db2.gz SWHOYUTZJGGMKS-KRWDZBQOSA-N 1 0 403.545 0.693 20 0 HCADRO CCOC(=O)C1CCN(S(=O)(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000603658534 1073589546 /nfs/dbraw/zinc/58/95/46/1073589546.db2.gz SWHOYUTZJGGMKS-QGZVFWFLSA-N 1 0 403.545 0.693 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000603668018 1073591156 /nfs/dbraw/zinc/59/11/56/1073591156.db2.gz JIQSLOCPMFPVRT-UHFFFAOYSA-N 1 0 402.451 0.895 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000603668038 1073590932 /nfs/dbraw/zinc/59/09/32/1073590932.db2.gz QEFWJCRHIXHWFN-KRWDZBQOSA-N 1 0 402.495 0.821 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000603668039 1073591650 /nfs/dbraw/zinc/59/16/50/1073591650.db2.gz QEFWJCRHIXHWFN-QGZVFWFLSA-N 1 0 402.495 0.821 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000603674487 1073592290 /nfs/dbraw/zinc/59/22/90/1073592290.db2.gz FZOAEQXOXNKWFG-UHFFFAOYSA-N 1 0 416.463 0.879 20 0 HCADRO CCOC(=O)c1c[nH]nc1S(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000603679192 1073593710 /nfs/dbraw/zinc/59/37/10/1073593710.db2.gz HFBXKEPNDXDORR-UHFFFAOYSA-N 1 0 422.511 0.602 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000603688182 1073598590 /nfs/dbraw/zinc/59/85/90/1073598590.db2.gz LARVYUZKWOPKOU-UHFFFAOYSA-N 1 0 419.526 0.666 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000603688210 1073598488 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405.236 0.577 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1I ZINC000603713259 1073600836 /nfs/dbraw/zinc/60/08/36/1073600836.db2.gz MWBIRWAEDJJHDF-NSHDSACASA-N 1 0 405.236 0.577 20 0 HCADRO Cc1cc(I)ccc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000603713263 1073600849 /nfs/dbraw/zinc/60/08/49/1073600849.db2.gz NNHKCITZTPEUAL-LLVKDONJSA-N 1 0 405.236 0.577 20 0 HCADRO Cc1cc(I)ccc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000603713264 1073600893 /nfs/dbraw/zinc/60/08/93/1073600893.db2.gz NNHKCITZTPEUAL-NSHDSACASA-N 1 0 405.236 0.577 20 0 HCADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c2)c1C ZINC000603713390 1073600960 /nfs/dbraw/zinc/60/09/60/1073600960.db2.gz ZXKVNNRAIBWTCF-INIZCTEOSA-N 1 0 417.466 0.335 20 0 HCADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2)c1C ZINC000603713391 1073600828 /nfs/dbraw/zinc/60/08/28/1073600828.db2.gz ZXKVNNRAIBWTCF-MRXNPFEDSA-N 1 0 417.466 0.335 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000603714915 1073610691 /nfs/dbraw/zinc/61/06/91/1073610691.db2.gz IQYNRJICXAIMFM-HUUCEWRRSA-N 1 0 418.494 0.907 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000603714916 1073610914 /nfs/dbraw/zinc/61/09/14/1073610914.db2.gz IQYNRJICXAIMFM-LSDHHAIUSA-N 1 0 418.494 0.907 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000603715313 1073609677 /nfs/dbraw/zinc/60/96/77/1073609677.db2.gz MCLBQCLREUYQPN-LSDHHAIUSA-N 1 0 418.494 0.765 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000603715314 1073609500 /nfs/dbraw/zinc/60/95/00/1073609500.db2.gz MCRINPFEDLEDHH-UHFFFAOYSA-N 1 0 418.494 0.449 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000603715329 1073609991 /nfs/dbraw/zinc/60/99/91/1073609991.db2.gz NTODBFLXXQIUKW-UHFFFAOYSA-N 1 0 404.467 0.520 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000603715334 1073609908 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WLIFKVOEGGLCHO-IAGOWNOFSA-N 1 0 416.478 0.661 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000603718775 1073606933 /nfs/dbraw/zinc/60/69/33/1073606933.db2.gz WLIFKVOEGGLCHO-IRXDYDNUSA-N 1 0 416.478 0.661 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000603718776 1073606751 /nfs/dbraw/zinc/60/67/51/1073606751.db2.gz WLIFKVOEGGLCHO-SJORKVTESA-N 1 0 416.478 0.661 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000603720686 1073606685 /nfs/dbraw/zinc/60/66/85/1073606685.db2.gz AWKFVZCAJYWJJY-CVEARBPZSA-N 1 0 402.451 0.271 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000603720687 1073607009 /nfs/dbraw/zinc/60/70/09/1073607009.db2.gz AWKFVZCAJYWJJY-HOTGVXAUSA-N 1 0 402.451 0.271 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000603721104 1073606814 /nfs/dbraw/zinc/60/68/14/1073606814.db2.gz RCVSZLQGSSTYCX-IRXDYDNUSA-N 1 0 416.478 0.661 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000603721105 1073607039 /nfs/dbraw/zinc/60/70/39/1073607039.db2.gz RCVSZLQGSSTYCX-SJORKVTESA-N 1 0 416.478 0.661 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000603721162 1073606998 /nfs/dbraw/zinc/60/69/98/1073606998.db2.gz VWISRSALQOKXPS-IRXDYDNUSA-N 1 0 416.478 0.200 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000603721165 1073606984 /nfs/dbraw/zinc/60/69/84/1073606984.db2.gz VWISRSALQOKXPS-SJORKVTESA-N 1 0 416.478 0.200 20 0 HCADRO C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CCOCC1 ZINC000603736583 1073616544 /nfs/dbraw/zinc/61/65/44/1073616544.db2.gz ULVKGIRUXRSMDW-UHFFFAOYSA-N 1 0 401.485 0.141 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000603740446 1073610989 /nfs/dbraw/zinc/61/09/89/1073610989.db2.gz STQQJIXWLRBPIZ-AWEZNQCLSA-N 1 0 411.524 0.783 20 0 HCADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000603771944 1073623764 /nfs/dbraw/zinc/62/37/64/1073623764.db2.gz ZPGFGFULYDOXKV-UHFFFAOYSA-N 1 0 411.466 0.956 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000603775482 1073624667 /nfs/dbraw/zinc/62/46/67/1073624667.db2.gz FWLQWVBPPMESCS-CQSZACIVSA-N 1 0 419.445 0.700 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)CCOCC1 ZINC000603777227 1073619623 /nfs/dbraw/zinc/61/96/23/1073619623.db2.gz RUEQEBLXPMASQI-UHFFFAOYSA-N 1 0 402.495 0.975 20 0 HCADRO COc1cccc(C[C@@H](C(=O)NCCCN2CCC[N@H+](C)CC2)n2nnnc2C)c1 ZINC000603810902 1073634134 /nfs/dbraw/zinc/63/41/34/1073634134.db2.gz OQDIQVWFPUHVME-FQEVSTJZSA-N 1 0 415.542 0.918 20 0 HCADRO COc1cccc(C[C@H](C(=O)NCCCN2CCC[N@H+](C)CC2)n2nnnc2C)c1 ZINC000603810903 1073633919 /nfs/dbraw/zinc/63/39/19/1073633919.db2.gz OQDIQVWFPUHVME-HXUWFJFHSA-N 1 0 415.542 0.918 20 0 HCADRO CCCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC[N@H+](C)CC2)CC1 ZINC000603810939 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421.567 0.725 20 0 HCADRO COc1cc(C(=O)NCCCN2CCC[N@H+](C)CC2)cc(OC)c1OCC(N)=O ZINC000603812287 1073633773 /nfs/dbraw/zinc/63/37/73/1073633773.db2.gz MWZYZBVLVLCRTI-UHFFFAOYSA-N 1 0 408.499 0.325 20 0 HCADRO COc1cc(C(=O)NCCCN2CCC[N@H+](C)CC2)cc(Cl)c1OCC(N)=O ZINC000603812505 1073633848 /nfs/dbraw/zinc/63/38/48/1073633848.db2.gz SKRGPCLAJWWZTI-UHFFFAOYSA-N 1 0 412.918 0.970 20 0 HCADRO C[NH+](C)C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000603812748 1073634174 /nfs/dbraw/zinc/63/41/74/1073634174.db2.gz DLVUQYPCACFIHD-HNNXBMFYSA-N 1 0 411.524 0.926 20 0 HCADRO C[NH+](C)C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000603812749 1073633880 /nfs/dbraw/zinc/63/38/80/1073633880.db2.gz DLVUQYPCACFIHD-OAHLLOKOSA-N 1 0 411.524 0.926 20 0 HCADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603815627 1073634879 /nfs/dbraw/zinc/63/48/79/1073634879.db2.gz QJDSDEYWMLCDCY-HTAPYJJXSA-N 1 0 400.523 0.435 20 0 HCADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603815628 1073634983 /nfs/dbraw/zinc/63/49/83/1073634983.db2.gz QJDSDEYWMLCDCY-JTSKRJEESA-N 1 0 400.523 0.435 20 0 HCADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603815629 1073634799 /nfs/dbraw/zinc/63/47/99/1073634799.db2.gz QJDSDEYWMLCDCY-VGOFRKELSA-N 1 0 400.523 0.435 20 0 HCADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603815630 1073634826 /nfs/dbraw/zinc/63/48/26/1073634826.db2.gz QJDSDEYWMLCDCY-VGSWGCGISA-N 1 0 400.523 0.435 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000603815799 1073635060 /nfs/dbraw/zinc/63/50/60/1073635060.db2.gz NANHWALAEFBGCK-NRFANRHFSA-N 1 0 417.531 0.989 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000603815800 1073634813 /nfs/dbraw/zinc/63/48/13/1073634813.db2.gz NANHWALAEFBGCK-OAQYLSRUSA-N 1 0 417.531 0.989 20 0 HCADRO 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ZINC000603818885 1073636054 /nfs/dbraw/zinc/63/60/54/1073636054.db2.gz PQTASWBFLMHINI-SFTDATJTSA-N 1 0 405.564 0.948 20 0 HCADRO COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000603837247 1073641485 /nfs/dbraw/zinc/64/14/85/1073641485.db2.gz PSTJAXHJXYFLNW-GOSISDBHSA-N 1 0 402.495 0.262 20 0 HCADRO COC(=O)C[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000603837248 1073641221 /nfs/dbraw/zinc/64/12/21/1073641221.db2.gz PSTJAXHJXYFLNW-SFHVURJKSA-N 1 0 402.495 0.262 20 0 HCADRO COC(=O)[C@@H](C)C[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000603852014 1073644710 /nfs/dbraw/zinc/64/47/10/1073644710.db2.gz GHITYVMMOKFZTD-HNNXBMFYSA-N 1 0 400.497 0.827 20 0 HCADRO COC(=O)[C@H](C)C[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000603852016 1073644989 /nfs/dbraw/zinc/64/49/89/1073644989.db2.gz GHITYVMMOKFZTD-OAHLLOKOSA-N 1 0 400.497 0.827 20 0 HCADRO COC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000603852070 1073644352 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C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)CC2)C1 ZINC000604352730 1073788512 /nfs/dbraw/zinc/78/85/12/1073788512.db2.gz PWTXMHWHIBMYQW-WOJBJXKFSA-N 1 0 400.523 0.652 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCNS(=O)(=O)c3cccs3)CC2)C1 ZINC000604352815 1073788188 /nfs/dbraw/zinc/78/81/88/1073788188.db2.gz UDTREUWUQDNWKN-HNNXBMFYSA-N 1 0 400.570 0.655 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCNS(=O)(=O)c3cccs3)CC2)C1 ZINC000604352816 1073788297 /nfs/dbraw/zinc/78/82/97/1073788297.db2.gz UDTREUWUQDNWKN-OAHLLOKOSA-N 1 0 400.570 0.655 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604352825 1073789597 /nfs/dbraw/zinc/78/95/97/1073789597.db2.gz VFQVKKWONJMWGN-GOSISDBHSA-N 1 0 408.568 0.902 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604352826 1073789360 /nfs/dbraw/zinc/78/93/60/1073789360.db2.gz VFQVKKWONJMWGN-SFHVURJKSA-N 1 0 408.568 0.902 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)CC2)C1 ZINC000604353043 1073788245 /nfs/dbraw/zinc/78/82/45/1073788245.db2.gz BLONQHOWFNXGDL-GOSISDBHSA-N 1 0 423.517 0.862 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)CC2)C1 ZINC000604353044 1073788322 /nfs/dbraw/zinc/78/83/22/1073788322.db2.gz BLONQHOWFNXGDL-SFHVURJKSA-N 1 0 423.517 0.862 20 0 HCADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604353312 1073788139 /nfs/dbraw/zinc/78/81/39/1073788139.db2.gz NAUNXNAFERMWCQ-OALUTQOASA-N 1 0 412.542 0.513 20 0 HCADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604353313 1073788491 /nfs/dbraw/zinc/78/84/91/1073788491.db2.gz NAUNXNAFERMWCQ-RBUKOAKNSA-N 1 0 412.542 0.513 20 0 HCADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604353314 1073788535 /nfs/dbraw/zinc/78/85/35/1073788535.db2.gz NAUNXNAFERMWCQ-RTBURBONSA-N 1 0 412.542 0.513 20 0 HCADRO 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HFJHAHXQNZNMTG-OAQYLSRUSA-N 1 0 402.539 0.655 20 0 HCADRO O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370293 1073769345 /nfs/dbraw/zinc/76/93/45/1073769345.db2.gz HKLSMOUAFLIMGV-INIZCTEOSA-N 1 0 400.479 0.195 20 0 HCADRO O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370294 1073769544 /nfs/dbraw/zinc/76/95/44/1073769544.db2.gz HKLSMOUAFLIMGV-MRXNPFEDSA-N 1 0 400.479 0.195 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370324 1073769278 /nfs/dbraw/zinc/76/92/78/1073769278.db2.gz HULAQUFWACCJBS-MSOLQXFVSA-N 1 0 416.588 0.103 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370334 1073769173 /nfs/dbraw/zinc/76/91/73/1073769173.db2.gz HULAQUFWACCJBS-QZTJIDSGSA-N 1 0 416.588 0.103 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370335 1073769373 /nfs/dbraw/zinc/76/93/73/1073769373.db2.gz HULAQUFWACCJBS-ROUUACIJSA-N 1 0 416.588 0.103 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370337 1073769316 /nfs/dbraw/zinc/76/93/16/1073769316.db2.gz HULAQUFWACCJBS-ZWKOTPCHSA-N 1 0 416.588 0.103 20 0 HCADRO Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000604370342 1073769404 /nfs/dbraw/zinc/76/94/04/1073769404.db2.gz HVYMUMBUCQVNJU-INIZCTEOSA-N 1 0 401.515 0.563 20 0 HCADRO Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000604370344 1073769055 /nfs/dbraw/zinc/76/90/55/1073769055.db2.gz HVYMUMBUCQVNJU-MRXNPFEDSA-N 1 0 401.515 0.563 20 0 HCADRO Cn1c2ccccc2n(CCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1=O ZINC000604370352 1073769646 /nfs/dbraw/zinc/76/96/46/1073769646.db2.gz IFCUARVETAGZNP-KRWDZBQOSA-N 1 0 401.511 0.253 20 0 HCADRO Cn1c2ccccc2n(CCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1=O ZINC000604370356 1073769468 /nfs/dbraw/zinc/76/94/68/1073769468.db2.gz IFCUARVETAGZNP-QGZVFWFLSA-N 1 0 401.511 0.253 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000604370397 1073770285 /nfs/dbraw/zinc/77/02/85/1073770285.db2.gz IXQPJUOQFJPPNR-DOTOQJQBSA-N 1 0 422.476 0.840 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000604370398 1073770793 /nfs/dbraw/zinc/77/07/93/1073770793.db2.gz IXQPJUOQFJPPNR-NVXWUHKLSA-N 1 0 422.476 0.840 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000604370399 1073770545 /nfs/dbraw/zinc/77/05/45/1073770545.db2.gz IXQPJUOQFJPPNR-RDJZCZTQSA-N 1 0 422.476 0.840 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000604370400 1073770736 /nfs/dbraw/zinc/77/07/36/1073770736.db2.gz IXQPJUOQFJPPNR-WBVHZDCISA-N 1 0 422.476 0.840 20 0 HCADRO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370405 1073772179 /nfs/dbraw/zinc/77/21/79/1073772179.db2.gz JBWIZEAFJNFDQK-LEWJYISDSA-N 1 0 400.523 0.483 20 0 HCADRO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370406 1073772398 /nfs/dbraw/zinc/77/23/98/1073772398.db2.gz JBWIZEAFJNFDQK-NHCUHLMSSA-N 1 0 400.523 0.483 20 0 HCADRO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370407 1073771618 /nfs/dbraw/zinc/77/16/18/1073771618.db2.gz JBWIZEAFJNFDQK-RTWAWAEBSA-N 1 0 400.523 0.483 20 0 HCADRO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370408 1073771799 /nfs/dbraw/zinc/77/17/99/1073771799.db2.gz JBWIZEAFJNFDQK-SFTDATJTSA-N 1 0 400.523 0.483 20 0 HCADRO O=C(CCCNC(=O)NC1CCCCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370539 1073774334 /nfs/dbraw/zinc/77/43/34/1073774334.db2.gz JGVORUVOEIBMBK-IBGZPJMESA-N 1 0 409.575 0.921 20 0 HCADRO O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370550 1073774457 /nfs/dbraw/zinc/77/44/57/1073774457.db2.gz JGVORUVOEIBMBK-LJQANCHMSA-N 1 0 409.575 0.921 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000604370596 1073774563 /nfs/dbraw/zinc/77/45/63/1073774563.db2.gz JZTVXQMBPJYTMW-HKUYNNGSSA-N 1 0 404.486 0.701 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000604370600 1073775271 /nfs/dbraw/zinc/77/52/71/1073775271.db2.gz JZTVXQMBPJYTMW-IEBWSBKVSA-N 1 0 404.486 0.701 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000604370603 1073775099 /nfs/dbraw/zinc/77/50/99/1073775099.db2.gz JZTVXQMBPJYTMW-MJGOQNOKSA-N 1 0 404.486 0.701 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000604370604 1073775028 /nfs/dbraw/zinc/77/50/28/1073775028.db2.gz JZTVXQMBPJYTMW-PKOBYXMFSA-N 1 0 404.486 0.701 20 0 HCADRO O=C(CCC(=O)N1CCc2sccc2C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370660 1073773268 /nfs/dbraw/zinc/77/32/68/1073773268.db2.gz DDOZKJSHRMBYNA-GOSISDBHSA-N 1 0 420.579 0.936 20 0 HCADRO O=C(CCC(=O)N1CCc2sccc2C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370664 1073773612 /nfs/dbraw/zinc/77/36/12/1073773612.db2.gz DDOZKJSHRMBYNA-SFHVURJKSA-N 1 0 420.579 0.936 20 0 HCADRO O=C(CCCNC(=O)c1ccc(F)cc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370680 1073773566 /nfs/dbraw/zinc/77/35/66/1073773566.db2.gz LGIFJYWBKDAKSE-IBGZPJMESA-N 1 0 406.502 0.858 20 0 HCADRO O=C(CCCNC(=O)c1ccc(F)cc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370682 1073774219 /nfs/dbraw/zinc/77/42/19/1073774219.db2.gz LGIFJYWBKDAKSE-LJQANCHMSA-N 1 0 406.502 0.858 20 0 HCADRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370710 1073774090 /nfs/dbraw/zinc/77/40/90/1073774090.db2.gz LKCUGDVDSQASHB-CRAIPNDOSA-N 1 0 408.930 0.981 20 0 HCADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370714 1073774185 /nfs/dbraw/zinc/77/41/85/1073774185.db2.gz LKCUGDVDSQASHB-MAUKXSAKSA-N 1 0 408.930 0.981 20 0 HCADRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370715 1073774495 /nfs/dbraw/zinc/77/44/95/1073774495.db2.gz LKCUGDVDSQASHB-QAPCUYQASA-N 1 0 408.930 0.981 20 0 HCADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370716 1073774256 /nfs/dbraw/zinc/77/42/56/1073774256.db2.gz LKCUGDVDSQASHB-YJBOKZPZSA-N 1 0 408.930 0.981 20 0 HCADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370727 1073774522 /nfs/dbraw/zinc/77/45/22/1073774522.db2.gz LZXSZXYZSQQFHE-MSOLQXFVSA-N 1 0 416.588 0.103 20 0 HCADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370728 1073774049 /nfs/dbraw/zinc/77/40/49/1073774049.db2.gz LZXSZXYZSQQFHE-QZTJIDSGSA-N 1 0 416.588 0.103 20 0 HCADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370729 1073774423 /nfs/dbraw/zinc/77/44/23/1073774423.db2.gz LZXSZXYZSQQFHE-ROUUACIJSA-N 1 0 416.588 0.103 20 0 HCADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370730 1073774372 /nfs/dbraw/zinc/77/43/72/1073774372.db2.gz LZXSZXYZSQQFHE-ZWKOTPCHSA-N 1 0 416.588 0.103 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604370748 1073774147 /nfs/dbraw/zinc/77/41/47/1073774147.db2.gz ABFXNKWIKQQFBI-KRWDZBQOSA-N 1 0 410.540 0.073 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604370753 1073774300 /nfs/dbraw/zinc/77/43/00/1073774300.db2.gz ABFXNKWIKQQFBI-QGZVFWFLSA-N 1 0 410.540 0.073 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000604370829 1073771361 /nfs/dbraw/zinc/77/13/61/1073771361.db2.gz ARZOVMJIKBRYLI-PMACEKPBSA-N 1 0 400.523 0.558 20 0 HCADRO Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370831 1073772114 /nfs/dbraw/zinc/77/21/14/1073772114.db2.gz FJIKLMTZLWWGIQ-INIZCTEOSA-N 1 0 402.499 0.117 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000604370836 1073771861 /nfs/dbraw/zinc/77/18/61/1073771861.db2.gz ARZOVMJIKBRYLI-UXHICEINSA-N 1 0 400.523 0.558 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000604370837 1073771435 /nfs/dbraw/zinc/77/14/35/1073771435.db2.gz ARZOVMJIKBRYLI-VQTJNVASSA-N 1 0 400.523 0.558 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000604370838 1073772890 /nfs/dbraw/zinc/77/28/90/1073772890.db2.gz ARZOVMJIKBRYLI-WOJBJXKFSA-N 1 0 400.523 0.558 20 0 HCADRO Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370844 1073773398 /nfs/dbraw/zinc/77/33/98/1073773398.db2.gz FJIKLMTZLWWGIQ-MRXNPFEDSA-N 1 0 402.499 0.117 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604370845 1073772848 /nfs/dbraw/zinc/77/28/48/1073772848.db2.gz NEKCKBMFROALBC-ROUUACIJSA-N 1 0 424.567 0.185 20 0 HCADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604370851 1073773019 /nfs/dbraw/zinc/77/30/19/1073773019.db2.gz NEKCKBMFROALBC-ZWKOTPCHSA-N 1 0 424.567 0.185 20 0 HCADRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370856 1073772968 /nfs/dbraw/zinc/77/29/68/1073772968.db2.gz FQJHQUOOEGRYIZ-HKUYNNGSSA-N 1 0 403.527 0.359 20 0 HCADRO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370861 1073773497 /nfs/dbraw/zinc/77/34/97/1073773497.db2.gz FQJHQUOOEGRYIZ-IEBWSBKVSA-N 1 0 403.527 0.359 20 0 HCADRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370863 1073773176 /nfs/dbraw/zinc/77/31/76/1073773176.db2.gz FQJHQUOOEGRYIZ-MJGOQNOKSA-N 1 0 403.527 0.359 20 0 HCADRO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370865 1073773301 /nfs/dbraw/zinc/77/33/01/1073773301.db2.gz FQJHQUOOEGRYIZ-PKOBYXMFSA-N 1 0 403.527 0.359 20 0 HCADRO Cc1cccc([C@H](CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)NC(N)=O)c1 ZINC000604370888 1073773531 /nfs/dbraw/zinc/77/35/31/1073773531.db2.gz FWAYWEJLZSZVOL-MOPGFXCFSA-N 1 0 403.527 0.617 20 0 HCADRO Cc1cccc([C@H](CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)NC(N)=O)c1 ZINC000604370907 1073772790 /nfs/dbraw/zinc/77/27/90/1073772790.db2.gz FWAYWEJLZSZVOL-OALUTQOASA-N 1 0 403.527 0.617 20 0 HCADRO Cc1cccc([C@@H](CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)NC(N)=O)c1 ZINC000604370910 1073773237 /nfs/dbraw/zinc/77/32/37/1073773237.db2.gz FWAYWEJLZSZVOL-RBUKOAKNSA-N 1 0 403.527 0.617 20 0 HCADRO Cc1cccc([C@@H](CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)NC(N)=O)c1 ZINC000604370913 1073773067 /nfs/dbraw/zinc/77/30/67/1073773067.db2.gz FWAYWEJLZSZVOL-RTBURBONSA-N 1 0 403.527 0.617 20 0 HCADRO O=C(CN1CCN(Cc2ccccc2)CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370919 1073773112 /nfs/dbraw/zinc/77/31/12/1073773112.db2.gz BGZJZTAOLVBWEI-JOCHJYFZSA-N 1 0 415.582 0.327 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(F)ccc1N1CCOCC1 ZINC000604370922 1073773201 /nfs/dbraw/zinc/77/32/01/1073773201.db2.gz NNMBUEWBKKLPRS-GOSISDBHSA-N 1 0 406.502 0.799 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(F)ccc1N1CCOCC1 ZINC000604370926 1073772925 /nfs/dbraw/zinc/77/29/25/1073772925.db2.gz NNMBUEWBKKLPRS-SFHVURJKSA-N 1 0 406.502 0.799 20 0 HCADRO O=C(CN1CCN(Cc2ccccc2)CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370930 1073773427 /nfs/dbraw/zinc/77/34/27/1073773427.db2.gz BGZJZTAOLVBWEI-QFIPXVFZSA-N 1 0 415.582 0.327 20 0 HCADRO C[C@@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1=O ZINC000604370968 1073771585 /nfs/dbraw/zinc/77/15/85/1073771585.db2.gz ODLNLGBKJUZBCY-DLBZAZTESA-N 1 0 402.495 0.323 20 0 HCADRO C[C@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1=O ZINC000604370973 1073771938 /nfs/dbraw/zinc/77/19/38/1073771938.db2.gz ODLNLGBKJUZBCY-IAGOWNOFSA-N 1 0 402.495 0.323 20 0 HCADRO C[C@@H]1Oc2ccccc2N(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1=O ZINC000604370977 1073772329 /nfs/dbraw/zinc/77/23/29/1073772329.db2.gz ODLNLGBKJUZBCY-IRXDYDNUSA-N 1 0 402.495 0.323 20 0 HCADRO C[C@H]1Oc2ccccc2N(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1=O ZINC000604370982 1073771546 /nfs/dbraw/zinc/77/15/46/1073771546.db2.gz ODLNLGBKJUZBCY-SJORKVTESA-N 1 0 402.495 0.323 20 0 HCADRO CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)ccc21 ZINC000604371075 1073771736 /nfs/dbraw/zinc/77/17/36/1073771736.db2.gz PARGPHATWLRIGF-GOSISDBHSA-N 1 0 422.551 0.145 20 0 HCADRO CN1C(=O)N(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C(=O)C12CCCCC2 ZINC000604371080 1073775480 /nfs/dbraw/zinc/77/54/80/1073775480.db2.gz GTWSADACHGLNCD-KRWDZBQOSA-N 1 0 421.542 0.106 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000604371081 1073775246 /nfs/dbraw/zinc/77/52/46/1073775246.db2.gz BJPSXAKVAMISNB-UXHICEINSA-N 1 0 416.522 0.940 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000604371084 1073775394 /nfs/dbraw/zinc/77/53/94/1073775394.db2.gz BJPSXAKVAMISNB-VQTJNVASSA-N 1 0 416.522 0.940 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000604371086 1073775293 /nfs/dbraw/zinc/77/52/93/1073775293.db2.gz BJPSXAKVAMISNB-WOJBJXKFSA-N 1 0 416.522 0.940 20 0 HCADRO CS(=O)(=O)N1CCc2cc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)ccc21 ZINC000604371088 1073774982 /nfs/dbraw/zinc/77/49/82/1073774982.db2.gz PARGPHATWLRIGF-SFHVURJKSA-N 1 0 422.551 0.145 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000604371095 1073775349 /nfs/dbraw/zinc/77/53/49/1073775349.db2.gz CMVSGDYRCYLFQY-MSOLQXFVSA-N 1 0 404.511 0.797 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000604371098 1073775216 /nfs/dbraw/zinc/77/52/16/1073775216.db2.gz CMVSGDYRCYLFQY-QZTJIDSGSA-N 1 0 404.511 0.797 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000604371102 1073775124 /nfs/dbraw/zinc/77/51/24/1073775124.db2.gz CMVSGDYRCYLFQY-ROUUACIJSA-N 1 0 404.511 0.797 20 0 HCADRO CN1C(=O)N(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C(=O)C12CCCCC2 ZINC000604371132 1073775424 /nfs/dbraw/zinc/77/54/24/1073775424.db2.gz GTWSADACHGLNCD-QGZVFWFLSA-N 1 0 421.542 0.106 20 0 HCADRO COc1ccc([C@H](CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)NC(C)=O)cc1 ZINC000604371204 1073776036 /nfs/dbraw/zinc/77/60/36/1073776036.db2.gz CAPNGMPHSMZHSW-CTNGQTDRSA-N 1 0 418.538 0.785 20 0 HCADRO COc1ccc([C@H](CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)NC(C)=O)cc1 ZINC000604371205 1073776450 /nfs/dbraw/zinc/77/64/50/1073776450.db2.gz CAPNGMPHSMZHSW-FPOVZHCZSA-N 1 0 418.538 0.785 20 0 HCADRO COc1ccc([C@@H](CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)NC(C)=O)cc1 ZINC000604371206 1073776304 /nfs/dbraw/zinc/77/63/04/1073776304.db2.gz CAPNGMPHSMZHSW-PZJWPPBQSA-N 1 0 418.538 0.785 20 0 HCADRO COc1ccc([C@@H](CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)NC(C)=O)cc1 ZINC000604371208 1073776421 /nfs/dbraw/zinc/77/64/21/1073776421.db2.gz CAPNGMPHSMZHSW-TZIWHRDSSA-N 1 0 418.538 0.785 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000604371233 1073775162 /nfs/dbraw/zinc/77/51/62/1073775162.db2.gz CCPVCRNSGICZNB-KRWDZBQOSA-N 1 0 415.469 0.508 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000604371252 1073775451 /nfs/dbraw/zinc/77/54/51/1073775451.db2.gz CCPVCRNSGICZNB-QGZVFWFLSA-N 1 0 415.469 0.508 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000604371262 1073775070 /nfs/dbraw/zinc/77/50/70/1073775070.db2.gz CICGZYOZYWCJSA-KRWDZBQOSA-N 1 0 411.506 0.479 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000604371264 1073775373 /nfs/dbraw/zinc/77/53/73/1073775373.db2.gz CICGZYOZYWCJSA-QGZVFWFLSA-N 1 0 411.506 0.479 20 0 HCADRO O=C(CNC(=O)NCc1ccc(F)cc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371273 1073775516 /nfs/dbraw/zinc/77/55/16/1073775516.db2.gz CQDRXQOSKXFWPM-GOSISDBHSA-N 1 0 407.490 0.148 20 0 HCADRO O=C(CNC(=O)NCc1ccc(F)cc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371282 1073775320 /nfs/dbraw/zinc/77/53/20/1073775320.db2.gz CQDRXQOSKXFWPM-SFHVURJKSA-N 1 0 407.490 0.148 20 0 HCADRO Cc1nc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)nn1-c1ccc(F)cc1 ZINC000604371425 1073779717 /nfs/dbraw/zinc/77/97/17/1073779717.db2.gz SJKPQYKQXYZSIL-KRWDZBQOSA-N 1 0 402.474 0.851 20 0 HCADRO Cc1nc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)nn1-c1ccc(F)cc1 ZINC000604371426 1073779309 /nfs/dbraw/zinc/77/93/09/1073779309.db2.gz SJKPQYKQXYZSIL-QGZVFWFLSA-N 1 0 402.474 0.851 20 0 HCADRO Cc1ccc(CN2C[C@@H](C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371438 1073779410 /nfs/dbraw/zinc/77/94/10/1073779410.db2.gz HRZDUGOBFGGAKC-LEWJYISDSA-N 1 0 414.550 0.866 20 0 HCADRO Cc1ccc(CN2C[C@H](C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371439 1073779032 /nfs/dbraw/zinc/77/90/32/1073779032.db2.gz HRZDUGOBFGGAKC-NHCUHLMSSA-N 1 0 414.550 0.866 20 0 HCADRO Cc1ccc(CN2C[C@H](C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371442 1073779248 /nfs/dbraw/zinc/77/92/48/1073779248.db2.gz HRZDUGOBFGGAKC-RTWAWAEBSA-N 1 0 414.550 0.866 20 0 HCADRO Cc1ccc(CN2C[C@@H](C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371443 1073779150 /nfs/dbraw/zinc/77/91/50/1073779150.db2.gz HRZDUGOBFGGAKC-SFTDATJTSA-N 1 0 414.550 0.866 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000604371564 1073779280 /nfs/dbraw/zinc/77/92/80/1073779280.db2.gz FMBFGBNCBDLWAX-GOSISDBHSA-N 1 0 422.551 0.363 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000604371567 1073779659 /nfs/dbraw/zinc/77/96/59/1073779659.db2.gz FMBFGBNCBDLWAX-SFHVURJKSA-N 1 0 422.551 0.363 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000604371608 1073779110 /nfs/dbraw/zinc/77/91/10/1073779110.db2.gz VPBFPDRGZDADFZ-GOSISDBHSA-N 1 0 422.551 0.264 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000604371613 1073779577 /nfs/dbraw/zinc/77/95/77/1073779577.db2.gz VPBFPDRGZDADFZ-SFHVURJKSA-N 1 0 422.551 0.264 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1nc2ncc(Br)cn2n1 ZINC000604371663 1073778201 /nfs/dbraw/zinc/77/82/01/1073778201.db2.gz KQPKUPMUPZTXDY-CYBMUJFWSA-N 1 0 424.303 0.023 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1nc2ncc(Br)cn2n1 ZINC000604371664 1073778247 /nfs/dbraw/zinc/77/82/47/1073778247.db2.gz KQPKUPMUPZTXDY-ZDUSSCGKSA-N 1 0 424.303 0.023 20 0 HCADRO CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2=O ZINC000604371670 1073778104 /nfs/dbraw/zinc/77/81/04/1073778104.db2.gz KWQXPEMHFYIDHE-BATSVXPKSA-N 1 0 421.542 0.010 20 0 HCADRO CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2=O ZINC000604371671 1073778610 /nfs/dbraw/zinc/77/86/10/1073778610.db2.gz KWQXPEMHFYIDHE-BQIYRTECSA-N 1 0 421.542 0.010 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000604371674 1073778028 /nfs/dbraw/zinc/77/80/28/1073778028.db2.gz KXYHYAPSIFUMAM-PMACEKPBSA-N 1 0 400.523 0.814 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000604371675 1073778428 /nfs/dbraw/zinc/77/84/28/1073778428.db2.gz KXYHYAPSIFUMAM-UXHICEINSA-N 1 0 400.523 0.814 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000604371676 1073778525 /nfs/dbraw/zinc/77/85/25/1073778525.db2.gz KXYHYAPSIFUMAM-VQTJNVASSA-N 1 0 400.523 0.814 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000604371677 1073778300 /nfs/dbraw/zinc/77/83/00/1073778300.db2.gz KXYHYAPSIFUMAM-WOJBJXKFSA-N 1 0 400.523 0.814 20 0 HCADRO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2=O ZINC000604371692 1073778475 /nfs/dbraw/zinc/77/84/75/1073778475.db2.gz DLMXOQKTYYGKBL-INIZCTEOSA-N 1 0 400.479 0.114 20 0 HCADRO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2=O ZINC000604371693 1073778328 /nfs/dbraw/zinc/77/83/28/1073778328.db2.gz DLMXOQKTYYGKBL-MRXNPFEDSA-N 1 0 400.479 0.114 20 0 HCADRO CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604371694 1073778138 /nfs/dbraw/zinc/77/81/38/1073778138.db2.gz DNTAFAQCFOWVKS-GOSISDBHSA-N 1 0 424.567 0.050 20 0 HCADRO CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604371695 1073778562 /nfs/dbraw/zinc/77/85/62/1073778562.db2.gz DNTAFAQCFOWVKS-SFHVURJKSA-N 1 0 424.567 0.050 20 0 HCADRO COc1ccc(N2C[C@H](C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371726 1073778273 /nfs/dbraw/zinc/77/82/73/1073778273.db2.gz FIXCTBRQAQXTTB-MSOLQXFVSA-N 1 0 416.522 0.571 20 0 HCADRO COc1ccc(N2C[C@H](C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371728 1073777886 /nfs/dbraw/zinc/77/78/86/1073777886.db2.gz FIXCTBRQAQXTTB-QZTJIDSGSA-N 1 0 416.522 0.571 20 0 HCADRO COc1ccc(N2C[C@@H](C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371731 1073779382 /nfs/dbraw/zinc/77/93/82/1073779382.db2.gz FIXCTBRQAQXTTB-ZWKOTPCHSA-N 1 0 416.522 0.571 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000604371885 1073778069 /nfs/dbraw/zinc/77/80/69/1073778069.db2.gz VRZYVMDFXKCQGG-IBGZPJMESA-N 1 0 411.506 0.428 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000604371888 1073778384 /nfs/dbraw/zinc/77/83/84/1073778384.db2.gz VRZYVMDFXKCQGG-LJQANCHMSA-N 1 0 411.506 0.428 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604371902 1073778171 /nfs/dbraw/zinc/77/81/71/1073778171.db2.gz GVQDHPLRBWATHO-GOSISDBHSA-N 1 0 424.567 0.186 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604371906 1073777984 /nfs/dbraw/zinc/77/79/84/1073777984.db2.gz GVQDHPLRBWATHO-SFHVURJKSA-N 1 0 424.567 0.186 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000604371943 1073777943 /nfs/dbraw/zinc/77/79/43/1073777943.db2.gz WRZPRBLJSJZHMD-IBGZPJMESA-N 1 0 414.506 0.472 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000604371953 1073778352 /nfs/dbraw/zinc/77/83/52/1073778352.db2.gz WRZPRBLJSJZHMD-LJQANCHMSA-N 1 0 414.506 0.472 20 0 HCADRO Cc1nc2ccnn2c(C)c1CCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371959 1073777187 /nfs/dbraw/zinc/77/71/87/1073777187.db2.gz LBRUIPAFTCJLPB-GOSISDBHSA-N 1 0 400.527 0.801 20 0 HCADRO Cc1nc2ccnn2c(C)c1CCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371963 1073777223 /nfs/dbraw/zinc/77/72/23/1073777223.db2.gz LBRUIPAFTCJLPB-SFHVURJKSA-N 1 0 400.527 0.801 20 0 HCADRO Cc1ccccc1[C@H](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC(N)=O ZINC000604371974 1073777462 /nfs/dbraw/zinc/77/74/62/1073777462.db2.gz HMZMALZQDQAKHC-HKUYNNGSSA-N 1 0 403.527 0.617 20 0 HCADRO Cc1ccccc1[C@@H](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC(N)=O ZINC000604371976 1073776879 /nfs/dbraw/zinc/77/68/79/1073776879.db2.gz HMZMALZQDQAKHC-IEBWSBKVSA-N 1 0 403.527 0.617 20 0 HCADRO Cc1ccccc1[C@H](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC(N)=O ZINC000604371977 1073777316 /nfs/dbraw/zinc/77/73/16/1073777316.db2.gz HMZMALZQDQAKHC-MJGOQNOKSA-N 1 0 403.527 0.617 20 0 HCADRO CCCS(=O)(=O)Nc1cccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604371978 1073777059 /nfs/dbraw/zinc/77/70/59/1073777059.db2.gz WZFIJMOWUUEKNP-IBGZPJMESA-N 1 0 424.567 0.975 20 0 HCADRO CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604371979 1073777389 /nfs/dbraw/zinc/77/73/89/1073777389.db2.gz WZFIJMOWUUEKNP-LJQANCHMSA-N 1 0 424.567 0.975 20 0 HCADRO Cc1ccccc1[C@@H](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC(N)=O ZINC000604371980 1073777353 /nfs/dbraw/zinc/77/73/53/1073777353.db2.gz HMZMALZQDQAKHC-PKOBYXMFSA-N 1 0 403.527 0.617 20 0 HCADRO O=C(CCc1nc(-c2ccccn2)no1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371991 1073777017 /nfs/dbraw/zinc/77/70/17/1073777017.db2.gz XDTGXWNGSXJBLF-INIZCTEOSA-N 1 0 400.483 0.587 20 0 HCADRO Cc1sc2ncn(CC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)c(=O)c2c1C ZINC000604372000 1073777428 /nfs/dbraw/zinc/77/74/28/1073777428.db2.gz LEYCWXDKMYLMKP-INIZCTEOSA-N 1 0 419.551 0.598 20 0 HCADRO Cc1sc2ncn(CC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)c(=O)c2c1C ZINC000604372001 1073777125 /nfs/dbraw/zinc/77/71/25/1073777125.db2.gz LEYCWXDKMYLMKP-MRXNPFEDSA-N 1 0 419.551 0.598 20 0 HCADRO O=C(CCc1nc(-c2ccccn2)no1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372010 1073777256 /nfs/dbraw/zinc/77/72/56/1073777256.db2.gz XDTGXWNGSXJBLF-MRXNPFEDSA-N 1 0 400.483 0.587 20 0 HCADRO CC1CCC(NS(=O)(=O)CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604372037 1073776914 /nfs/dbraw/zinc/77/69/14/1073776914.db2.gz LLAHDQMILMJIHY-ABHNRTSZSA-N 1 0 416.588 0.007 20 0 HCADRO CC1CCC(NS(=O)(=O)CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604372051 1073777519 /nfs/dbraw/zinc/77/75/19/1073777519.db2.gz LLAHDQMILMJIHY-DAWZGUTISA-N 1 0 416.588 0.007 20 0 HCADRO O=C(CCCn1c(=O)oc2ccccc21)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372092 1073777151 /nfs/dbraw/zinc/77/71/51/1073777151.db2.gz JAGPYZSXSMVZSP-KRWDZBQOSA-N 1 0 402.495 0.897 20 0 HCADRO O=C(CCCn1c(=O)oc2ccccc21)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372097 1073777284 /nfs/dbraw/zinc/77/72/84/1073777284.db2.gz JAGPYZSXSMVZSP-QGZVFWFLSA-N 1 0 402.495 0.897 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)ccc1-n1cnnn1 ZINC000604372101 1073776532 /nfs/dbraw/zinc/77/65/32/1073776532.db2.gz JBQWVGTYHDQTBA-HNNXBMFYSA-N 1 0 405.890 0.452 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)ccc1-n1cnnn1 ZINC000604372105 1073776241 /nfs/dbraw/zinc/77/62/41/1073776241.db2.gz JBQWVGTYHDQTBA-OAHLLOKOSA-N 1 0 405.890 0.452 20 0 HCADRO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372162 1073776367 /nfs/dbraw/zinc/77/63/67/1073776367.db2.gz NYSYIGCCHQYTKB-INIZCTEOSA-N 1 0 415.494 0.015 20 0 HCADRO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372163 1073776120 /nfs/dbraw/zinc/77/61/20/1073776120.db2.gz NYSYIGCCHQYTKB-MRXNPFEDSA-N 1 0 415.494 0.015 20 0 HCADRO CS(=O)(=O)Nc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1F ZINC000604372166 1073776335 /nfs/dbraw/zinc/77/63/35/1073776335.db2.gz OBIMUJJYUSFGLV-HNNXBMFYSA-N 1 0 414.503 0.334 20 0 HCADRO CS(=O)(=O)Nc1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1F ZINC000604372167 1073775892 /nfs/dbraw/zinc/77/58/92/1073775892.db2.gz OBIMUJJYUSFGLV-OAHLLOKOSA-N 1 0 414.503 0.334 20 0 HCADRO CCn1c2ccccc2n(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1=O ZINC000604372202 1073776505 /nfs/dbraw/zinc/77/65/05/1073776505.db2.gz ZBUZINFOBSEAOD-KRWDZBQOSA-N 1 0 401.511 0.346 20 0 HCADRO CCn1c2ccccc2n(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1=O ZINC000604372205 1073777091 /nfs/dbraw/zinc/77/70/91/1073777091.db2.gz ZBUZINFOBSEAOD-QGZVFWFLSA-N 1 0 401.511 0.346 20 0 HCADRO C[C@H]1Oc2ccccc2N(CCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1=O ZINC000604372246 1073776008 /nfs/dbraw/zinc/77/60/08/1073776008.db2.gz ZXWGAHKSUHHGSM-MSOLQXFVSA-N 1 0 416.522 0.713 20 0 HCADRO C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1=O ZINC000604372247 1073776481 /nfs/dbraw/zinc/77/64/81/1073776481.db2.gz ZXWGAHKSUHHGSM-QZTJIDSGSA-N 1 0 416.522 0.713 20 0 HCADRO C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1=O ZINC000604372248 1073775935 /nfs/dbraw/zinc/77/59/35/1073775935.db2.gz ZXWGAHKSUHHGSM-ROUUACIJSA-N 1 0 416.522 0.713 20 0 HCADRO CS(=O)(=O)Nc1cccc(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604372344 1073776280 /nfs/dbraw/zinc/77/62/80/1073776280.db2.gz JTUBVHGMXXIWTK-GOSISDBHSA-N 1 0 410.540 0.123 20 0 HCADRO CS(=O)(=O)Nc1cccc(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604372345 1073775966 /nfs/dbraw/zinc/77/59/66/1073775966.db2.gz JTUBVHGMXXIWTK-SFHVURJKSA-N 1 0 410.540 0.123 20 0 HCADRO Cc1nn(C)c2nc(C)c(CC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)c(C)c12 ZINC000604372382 1073779532 /nfs/dbraw/zinc/77/95/32/1073779532.db2.gz LEUYOTMRLCZDJG-GOSISDBHSA-N 1 0 414.554 0.959 20 0 HCADRO Cc1nn(C)c2nc(C)c(CC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)c(C)c12 ZINC000604372383 1073779218 /nfs/dbraw/zinc/77/92/18/1073779218.db2.gz LEUYOTMRLCZDJG-SFHVURJKSA-N 1 0 414.554 0.959 20 0 HCADRO CCCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604372390 1073779188 /nfs/dbraw/zinc/77/91/88/1073779188.db2.gz LKQHCMPTNDQPBS-IBGZPJMESA-N 1 0 424.567 0.975 20 0 HCADRO CCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604372391 1073779606 /nfs/dbraw/zinc/77/96/06/1073779606.db2.gz LKQHCMPTNDQPBS-LJQANCHMSA-N 1 0 424.567 0.975 20 0 HCADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604372409 1073796736 /nfs/dbraw/zinc/79/67/36/1073796736.db2.gz JOMLCZYVADZCDL-KRWDZBQOSA-N 1 0 424.567 0.430 20 0 HCADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604372414 1073796893 /nfs/dbraw/zinc/79/68/93/1073796893.db2.gz JOMLCZYVADZCDL-QGZVFWFLSA-N 1 0 424.567 0.430 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000604372423 1073796334 /nfs/dbraw/zinc/79/63/34/1073796334.db2.gz MBYGDLDQTSBHBL-IRXDYDNUSA-N 1 0 406.552 0.875 20 0 HCADRO CSc1nc(C)c(CCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(=O)[nH]1 ZINC000604372426 1073796935 /nfs/dbraw/zinc/79/69/35/1073796935.db2.gz JWHOGASFVMRTLW-HNNXBMFYSA-N 1 0 409.556 0.668 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000604372427 1073796598 /nfs/dbraw/zinc/79/65/98/1073796598.db2.gz MBYGDLDQTSBHBL-SJORKVTESA-N 1 0 406.552 0.875 20 0 HCADRO CSc1nc(C)c(CCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(=O)[nH]1 ZINC000604372434 1073796484 /nfs/dbraw/zinc/79/64/84/1073796484.db2.gz JWHOGASFVMRTLW-OAHLLOKOSA-N 1 0 409.556 0.668 20 0 HCADRO O=C(CCN1C(=O)COc2ccccc21)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372450 1073797908 /nfs/dbraw/zinc/79/79/08/1073797908.db2.gz MGYBLBHTHMBPFW-KRWDZBQOSA-N 1 0 402.495 0.325 20 0 HCADRO O=C(CCN1C(=O)COc2ccccc21)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372457 1073797854 /nfs/dbraw/zinc/79/78/54/1073797854.db2.gz MGYBLBHTHMBPFW-QGZVFWFLSA-N 1 0 402.495 0.325 20 0 HCADRO CC1CCC(N2C[C@@H](C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)CC1 ZINC000604372459 1073797825 /nfs/dbraw/zinc/79/78/25/1073797825.db2.gz KHFMJWFPIUTWKQ-FUFFSDJGSA-N 1 0 406.571 0.936 20 0 HCADRO CC1CCC(N2C[C@H](C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)CC1 ZINC000604372469 1073798197 /nfs/dbraw/zinc/79/81/97/1073798197.db2.gz KHFMJWFPIUTWKQ-KAXARAQCSA-N 1 0 406.571 0.936 20 0 HCADRO CC1CCC(N2C[C@@H](C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)CC1 ZINC000604372472 1073797591 /nfs/dbraw/zinc/79/75/91/1073797591.db2.gz KHFMJWFPIUTWKQ-NUVZVAJJSA-N 1 0 406.571 0.936 20 0 HCADRO CC1CCC(N2C[C@H](C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)CC1 ZINC000604372474 1073798137 /nfs/dbraw/zinc/79/81/37/1073798137.db2.gz KHFMJWFPIUTWKQ-WBFXSEPVSA-N 1 0 406.571 0.936 20 0 HCADRO CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604372476 1073797873 /nfs/dbraw/zinc/79/78/73/1073797873.db2.gz KHUDVCSOBKODJF-GOSISDBHSA-N 1 0 409.552 0.545 20 0 HCADRO CCS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604372478 1073797732 /nfs/dbraw/zinc/79/77/32/1073797732.db2.gz KHUDVCSOBKODJF-SFHVURJKSA-N 1 0 409.552 0.545 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000604372491 1073797406 /nfs/dbraw/zinc/79/74/06/1073797406.db2.gz KYJBOGLEWBWGED-HNNXBMFYSA-N 1 0 410.478 0.312 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000604372492 1073797863 /nfs/dbraw/zinc/79/78/63/1073797863.db2.gz KYJBOGLEWBWGED-OAHLLOKOSA-N 1 0 410.478 0.312 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000604372503 1073797945 /nfs/dbraw/zinc/79/79/45/1073797945.db2.gz LFDLFOSPTDFHCF-DLBZAZTESA-N 1 0 404.486 0.701 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000604372505 1073797481 /nfs/dbraw/zinc/79/74/81/1073797481.db2.gz LFDLFOSPTDFHCF-IAGOWNOFSA-N 1 0 404.486 0.701 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000604372508 1073797673 /nfs/dbraw/zinc/79/76/73/1073797673.db2.gz LFDLFOSPTDFHCF-IRXDYDNUSA-N 1 0 404.486 0.701 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000604372509 1073797996 /nfs/dbraw/zinc/79/79/96/1073797996.db2.gz LFDLFOSPTDFHCF-SJORKVTESA-N 1 0 404.486 0.701 20 0 HCADRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1NS(C)(=O)=O ZINC000604372531 1073798032 /nfs/dbraw/zinc/79/80/32/1073798032.db2.gz LXZRMOYGIDQCIZ-KRWDZBQOSA-N 1 0 410.540 0.503 20 0 HCADRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1NS(C)(=O)=O ZINC000604372536 1073798072 /nfs/dbraw/zinc/79/80/72/1073798072.db2.gz LXZRMOYGIDQCIZ-QGZVFWFLSA-N 1 0 410.540 0.503 20 0 HCADRO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372551 1073767639 /nfs/dbraw/zinc/76/76/39/1073767639.db2.gz MCTDSPPEMIFZKW-KRWDZBQOSA-N 1 0 401.515 0.196 20 0 HCADRO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372552 1073767764 /nfs/dbraw/zinc/76/77/64/1073767764.db2.gz MCTDSPPEMIFZKW-QGZVFWFLSA-N 1 0 401.515 0.196 20 0 HCADRO O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372571 1073768580 /nfs/dbraw/zinc/76/85/80/1073768580.db2.gz PAGJSWAZCVYQED-KRWDZBQOSA-N 1 0 414.506 0.586 20 0 HCADRO 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Cc1c(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)nnn1-c1ccc(C)cc1 ZINC000604376872 1073801036 /nfs/dbraw/zinc/80/10/36/1073801036.db2.gz SXYNGKNTPHJQPM-LJQANCHMSA-N 1 0 412.538 0.949 20 0 HCADRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1N1CCNC1=O ZINC000604376917 1073801155 /nfs/dbraw/zinc/80/11/55/1073801155.db2.gz WOQXZAKIIUVHKL-GOSISDBHSA-N 1 0 401.511 0.661 20 0 HCADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1N1CCNC1=O ZINC000604376918 1073800832 /nfs/dbraw/zinc/80/08/32/1073800832.db2.gz WOQXZAKIIUVHKL-SFHVURJKSA-N 1 0 401.511 0.661 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000604377007 1073800621 /nfs/dbraw/zinc/80/06/21/1073800621.db2.gz ZOKLOZDWKZLPDP-AABGKKOBSA-N 1 0 406.571 0.938 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000604377008 1073800815 /nfs/dbraw/zinc/80/08/15/1073800815.db2.gz ZOKLOZDWKZLPDP-AQNXPRMDSA-N 1 0 406.571 0.938 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000604377009 1073800728 /nfs/dbraw/zinc/80/07/28/1073800728.db2.gz ZOKLOZDWKZLPDP-HSALFYBXSA-N 1 0 406.571 0.938 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000604377010 1073800704 /nfs/dbraw/zinc/80/07/04/1073800704.db2.gz ZOKLOZDWKZLPDP-VAMGGRTRSA-N 1 0 406.571 0.938 20 0 HCADRO O=C(CCc1nc2ccccc2oc1=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604377017 1073800687 /nfs/dbraw/zinc/80/06/87/1073800687.db2.gz ZVAOZIDOUZMQGG-INIZCTEOSA-N 1 0 400.479 0.643 20 0 HCADRO O=C(CCc1nc2ccccc2oc1=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604377018 1073800761 /nfs/dbraw/zinc/80/07/61/1073800761.db2.gz ZVAOZIDOUZMQGG-MRXNPFEDSA-N 1 0 400.479 0.643 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1C ZINC000604384194 1073801899 /nfs/dbraw/zinc/80/18/99/1073801899.db2.gz NBESRRZCFMCOKY-DLBZAZTESA-N 1 0 410.540 0.373 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1C ZINC000604384195 1073801850 /nfs/dbraw/zinc/80/18/50/1073801850.db2.gz NBESRRZCFMCOKY-IAGOWNOFSA-N 1 0 410.540 0.373 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1C ZINC000604384196 1073801872 /nfs/dbraw/zinc/80/18/72/1073801872.db2.gz NBESRRZCFMCOKY-IRXDYDNUSA-N 1 0 410.540 0.373 20 0 HCADRO COc1ccc(CN2CCN(C(=O)CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)cc1 ZINC000604384266 1073801819 /nfs/dbraw/zinc/80/18/19/1073801819.db2.gz OOACDSUODTYJOL-FCHUYYIVSA-N 1 0 416.566 0.870 20 0 HCADRO COc1ccc(CN2CCN(C(=O)CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)cc1 ZINC000604384268 1073801886 /nfs/dbraw/zinc/80/18/86/1073801886.db2.gz OOACDSUODTYJOL-FGZHOGPDSA-N 1 0 416.566 0.870 20 0 HCADRO COc1ccc(CN2CCN(C(=O)CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)cc1 ZINC000604384270 1073801955 /nfs/dbraw/zinc/80/19/55/1073801955.db2.gz OOACDSUODTYJOL-VXKWHMMOSA-N 1 0 416.566 0.870 20 0 HCADRO O=C(CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000604384698 1073801921 /nfs/dbraw/zinc/80/19/21/1073801921.db2.gz XYUZNBJEBBAQCO-PMACEKPBSA-N 1 0 415.538 0.894 20 0 HCADRO O=C(CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000604384699 1073801831 /nfs/dbraw/zinc/80/18/31/1073801831.db2.gz XYUZNBJEBBAQCO-UXHICEINSA-N 1 0 415.538 0.894 20 0 HCADRO O=C(CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000604384700 1073801856 /nfs/dbraw/zinc/80/18/56/1073801856.db2.gz XYUZNBJEBBAQCO-VQTJNVASSA-N 1 0 415.538 0.894 20 0 HCADRO O=C(CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000604384701 1073801902 /nfs/dbraw/zinc/80/19/02/1073801902.db2.gz XYUZNBJEBBAQCO-WOJBJXKFSA-N 1 0 415.538 0.894 20 0 HCADRO C[C@H](NC(=O)[C@H](C)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000604385639 1073802123 /nfs/dbraw/zinc/80/21/23/1073802123.db2.gz CYYADFAWSJITTJ-ILRDRHFLSA-N 1 0 424.567 0.431 20 0 HCADRO C[C@H](NC(=O)[C@H](C)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000604385640 1073802197 /nfs/dbraw/zinc/80/21/97/1073802197.db2.gz CYYADFAWSJITTJ-LNMJFAINSA-N 1 0 424.567 0.431 20 0 HCADRO C[C@H](NC(=O)[C@H](C)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000604385641 1073802282 /nfs/dbraw/zinc/80/22/82/1073802282.db2.gz CYYADFAWSJITTJ-SAKMYQHLSA-N 1 0 424.567 0.431 20 0 HCADRO C[C@H](NC(=O)[C@H](C)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000604385642 1073802232 /nfs/dbraw/zinc/80/22/32/1073802232.db2.gz CYYADFAWSJITTJ-STEAMIEHSA-N 1 0 424.567 0.431 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000604385723 1073802211 /nfs/dbraw/zinc/80/22/11/1073802211.db2.gz HKNYCFDJQFTVBF-MSOLQXFVSA-N 1 0 410.540 0.406 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000604385724 1073802162 /nfs/dbraw/zinc/80/21/62/1073802162.db2.gz HKNYCFDJQFTVBF-QZTJIDSGSA-N 1 0 410.540 0.406 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000604385725 1073802302 /nfs/dbraw/zinc/80/23/02/1073802302.db2.gz HKNYCFDJQFTVBF-ROUUACIJSA-N 1 0 410.540 0.406 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000604385726 1073802270 /nfs/dbraw/zinc/80/22/70/1073802270.db2.gz HKNYCFDJQFTVBF-ZWKOTPCHSA-N 1 0 410.540 0.406 20 0 HCADRO O=C(CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000604385958 1073802153 /nfs/dbraw/zinc/80/21/53/1073802153.db2.gz LQXPKIMEIILZHW-LEWJYISDSA-N 1 0 414.550 0.938 20 0 HCADRO O=C(CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000604385959 1073802259 /nfs/dbraw/zinc/80/22/59/1073802259.db2.gz LQXPKIMEIILZHW-NHCUHLMSSA-N 1 0 414.550 0.938 20 0 HCADRO O=C(CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000604385960 1073802137 /nfs/dbraw/zinc/80/21/37/1073802137.db2.gz LQXPKIMEIILZHW-RTWAWAEBSA-N 1 0 414.550 0.938 20 0 HCADRO O=C(CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000604385961 1073802251 /nfs/dbraw/zinc/80/22/51/1073802251.db2.gz LQXPKIMEIILZHW-SFTDATJTSA-N 1 0 414.550 0.938 20 0 HCADRO O=C(CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000604386023 1073802293 /nfs/dbraw/zinc/80/22/93/1073802293.db2.gz NHUSQINYTREKSG-PMACEKPBSA-N 1 0 400.523 0.726 20 0 HCADRO O=C(CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000604386243 1073801863 /nfs/dbraw/zinc/80/18/63/1073801863.db2.gz NHUSQINYTREKSG-UXHICEINSA-N 1 0 400.523 0.726 20 0 HCADRO O=C(CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000604386244 1073801876 /nfs/dbraw/zinc/80/18/76/1073801876.db2.gz NHUSQINYTREKSG-VQTJNVASSA-N 1 0 400.523 0.726 20 0 HCADRO O=C(CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000604386245 1073801965 /nfs/dbraw/zinc/80/19/65/1073801965.db2.gz NHUSQINYTREKSG-WOJBJXKFSA-N 1 0 400.523 0.726 20 0 HCADRO CC(C)CCNC(=O)C1CCN(C(=O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000604386367 1073801931 /nfs/dbraw/zinc/80/19/31/1073801931.db2.gz QDGWNMSWWZDEPP-PMACEKPBSA-N 1 0 408.587 0.918 20 0 HCADRO CC(C)CCNC(=O)C1CCN(C(=O)CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000604386369 1073801940 /nfs/dbraw/zinc/80/19/40/1073801940.db2.gz QDGWNMSWWZDEPP-UXHICEINSA-N 1 0 408.587 0.918 20 0 HCADRO CC(C)CCNC(=O)C1CCN(C(=O)CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000604386370 1073801945 /nfs/dbraw/zinc/80/19/45/1073801945.db2.gz QDGWNMSWWZDEPP-VQTJNVASSA-N 1 0 408.587 0.918 20 0 HCADRO CC(C)CCNC(=O)C1CCN(C(=O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000604386372 1073801839 /nfs/dbraw/zinc/80/18/39/1073801839.db2.gz QDGWNMSWWZDEPP-WOJBJXKFSA-N 1 0 408.587 0.918 20 0 HCADRO O=C(CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000604386537 1073802669 /nfs/dbraw/zinc/80/26/69/1073802669.db2.gz SMLOQCRUVGDGNJ-DLBZAZTESA-N 1 0 406.552 0.564 20 0 HCADRO O=C(CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000604386538 1073802705 /nfs/dbraw/zinc/80/27/05/1073802705.db2.gz SMLOQCRUVGDGNJ-IAGOWNOFSA-N 1 0 406.552 0.564 20 0 HCADRO O=C(CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000604386539 1073802632 /nfs/dbraw/zinc/80/26/32/1073802632.db2.gz SMLOQCRUVGDGNJ-IRXDYDNUSA-N 1 0 406.552 0.564 20 0 HCADRO O=C(CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000604386540 1073802652 /nfs/dbraw/zinc/80/26/52/1073802652.db2.gz SMLOQCRUVGDGNJ-SJORKVTESA-N 1 0 406.552 0.564 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000604386799 1073802767 /nfs/dbraw/zinc/80/27/67/1073802767.db2.gz WSKWVCNPYOJHCU-LMNJBCLMSA-N 1 0 402.539 0.960 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000604386800 1073802621 /nfs/dbraw/zinc/80/26/21/1073802621.db2.gz WSKWVCNPYOJHCU-QFUCXCTJSA-N 1 0 402.539 0.960 20 0 HCADRO 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ZINC000604593079 1073819555 /nfs/dbraw/zinc/81/95/55/1073819555.db2.gz LARATIGZLVEQNK-UHFFFAOYSA-N 1 0 401.508 0.521 20 0 HCADRO C[NH+](C)Cc1cc(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)ccc1F ZINC000604593145 1073819510 /nfs/dbraw/zinc/81/95/10/1073819510.db2.gz SSOHWXXWWDNDPK-UHFFFAOYSA-N 1 0 415.535 0.264 20 0 HCADRO C[NH+](C)Cc1cc(CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000604593337 1073819606 /nfs/dbraw/zinc/81/96/06/1073819606.db2.gz SNGGVCYWQVXDFG-HNNXBMFYSA-N 1 0 414.503 0.380 20 0 HCADRO C[NH+](C)Cc1cc(CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000604593338 1073819572 /nfs/dbraw/zinc/81/95/72/1073819572.db2.gz SNGGVCYWQVXDFG-OAHLLOKOSA-N 1 0 414.503 0.380 20 0 HCADRO COc1ccc(CN2CC[C@H](NC(=O)N[C@H](C)CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000604596041 1073819982 /nfs/dbraw/zinc/81/99/82/1073819982.db2.gz GBHQTVYTXOCNNV-APWZRJJASA-N 1 0 403.527 0.731 20 0 HCADRO COc1ccc(CN2CC[C@H](NC(=O)N[C@@H](C)CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000604596042 1073819943 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SIYGLIDSLMONIU-KRWDZBQOSA-N 1 0 404.511 0.343 20 0 HCADRO Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(O)c1 ZINC000604606361 1073821127 /nfs/dbraw/zinc/82/11/27/1073821127.db2.gz SIYGLIDSLMONIU-QGZVFWFLSA-N 1 0 404.511 0.343 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000604606378 1073821094 /nfs/dbraw/zinc/82/10/94/1073821094.db2.gz UDIFYZSMSSHTGX-IFMALSPDSA-N 1 0 416.566 0.707 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000604606379 1073820960 /nfs/dbraw/zinc/82/09/60/1073820960.db2.gz UDIFYZSMSSHTGX-IRLDBZIGSA-N 1 0 416.566 0.707 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000604606380 1073821060 /nfs/dbraw/zinc/82/10/60/1073821060.db2.gz UDIFYZSMSSHTGX-RBBKRZOGSA-N 1 0 416.566 0.707 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000604606381 1073821157 /nfs/dbraw/zinc/82/11/57/1073821157.db2.gz UDIFYZSMSSHTGX-UNMCSNQZSA-N 1 0 416.566 0.707 20 0 HCADRO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606394 1073821020 /nfs/dbraw/zinc/82/10/20/1073821020.db2.gz VDPBIFLDVPMNKM-CVEARBPZSA-N 1 0 414.510 0.204 20 0 HCADRO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606395 1073821188 /nfs/dbraw/zinc/82/11/88/1073821188.db2.gz VDPBIFLDVPMNKM-HOTGVXAUSA-N 1 0 414.510 0.204 20 0 HCADRO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606396 1073821104 /nfs/dbraw/zinc/82/11/04/1073821104.db2.gz VDPBIFLDVPMNKM-HZPDHXFCSA-N 1 0 414.510 0.204 20 0 HCADRO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606397 1073820979 /nfs/dbraw/zinc/82/09/79/1073820979.db2.gz VDPBIFLDVPMNKM-JKSUJKDBSA-N 1 0 414.510 0.204 20 0 HCADRO CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606502 1073820624 /nfs/dbraw/zinc/82/06/24/1073820624.db2.gz ZUWFDTXMZVHUMR-QGZVFWFLSA-N 1 0 404.511 0.338 20 0 HCADRO O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000604618377 1073822166 /nfs/dbraw/zinc/82/21/66/1073822166.db2.gz RZFZPTNPRXCXRC-MOPGFXCFSA-N 1 0 422.551 0.984 20 0 HCADRO O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000604618378 1073822019 /nfs/dbraw/zinc/82/20/19/1073822019.db2.gz RZFZPTNPRXCXRC-OALUTQOASA-N 1 0 422.551 0.984 20 0 HCADRO O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000604618379 1073822101 /nfs/dbraw/zinc/82/21/01/1073822101.db2.gz RZFZPTNPRXCXRC-RBUKOAKNSA-N 1 0 422.551 0.984 20 0 HCADRO O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000604618380 1073822149 /nfs/dbraw/zinc/82/21/49/1073822149.db2.gz RZFZPTNPRXCXRC-RTBURBONSA-N 1 0 422.551 0.984 20 0 HCADRO NC(=O)CCNC(=O)c1cccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000604621833 1073822080 /nfs/dbraw/zinc/82/20/80/1073822080.db2.gz DNUOKQGKNYEAPA-DLBZAZTESA-N 1 0 403.483 0.355 20 0 HCADRO NC(=O)CCNC(=O)c1cccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000604621834 1073822035 /nfs/dbraw/zinc/82/20/35/1073822035.db2.gz DNUOKQGKNYEAPA-IAGOWNOFSA-N 1 0 403.483 0.355 20 0 HCADRO NC(=O)CCNC(=O)c1cccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000604621835 1073822186 /nfs/dbraw/zinc/82/21/86/1073822186.db2.gz DNUOKQGKNYEAPA-IRXDYDNUSA-N 1 0 403.483 0.355 20 0 HCADRO NC(=O)CCNC(=O)c1cccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000604621836 1073822419 /nfs/dbraw/zinc/82/24/19/1073822419.db2.gz DNUOKQGKNYEAPA-SJORKVTESA-N 1 0 403.483 0.355 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000604631283 1073822496 /nfs/dbraw/zinc/82/24/96/1073822496.db2.gz UYZCXVULWJVZCA-KRWDZBQOSA-N 1 0 409.556 0.298 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000604631284 1073822481 /nfs/dbraw/zinc/82/24/81/1073822481.db2.gz UYZCXVULWJVZCA-QGZVFWFLSA-N 1 0 409.556 0.298 20 0 HCADRO O=C(NCCc1ccc2c(c1)OCCO2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604631420 1073822435 /nfs/dbraw/zinc/82/24/35/1073822435.db2.gz HRHQRWXQSVABRJ-GOSISDBHSA-N 1 0 404.511 0.706 20 0 HCADRO O=C(NCCc1ccc2c(c1)OCCO2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604631421 1073822535 /nfs/dbraw/zinc/82/25/35/1073822535.db2.gz HRHQRWXQSVABRJ-SFHVURJKSA-N 1 0 404.511 0.706 20 0 HCADRO Cc1cccc(C)c1NC(=O)CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604632738 1073822858 /nfs/dbraw/zinc/82/28/58/1073822858.db2.gz ZWUCBUXKZJOXNQ-GOSISDBHSA-N 1 0 403.527 0.948 20 0 HCADRO Cc1cccc(C)c1NC(=O)CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604632739 1073822946 /nfs/dbraw/zinc/82/29/46/1073822946.db2.gz ZWUCBUXKZJOXNQ-SFHVURJKSA-N 1 0 403.527 0.948 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)C1 ZINC000604633298 1073822881 /nfs/dbraw/zinc/82/28/81/1073822881.db2.gz CAXJHEVCIGRKCV-CYBMUJFWSA-N 1 0 401.558 0.317 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)C1 ZINC000604633299 1073823006 /nfs/dbraw/zinc/82/30/06/1073823006.db2.gz CAXJHEVCIGRKCV-ZDUSSCGKSA-N 1 0 401.558 0.317 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000604633339 1073822889 /nfs/dbraw/zinc/82/28/89/1073822889.db2.gz FKCQYTIZYISVBM-KRWDZBQOSA-N 1 0 420.558 0.663 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000604633340 1073822819 /nfs/dbraw/zinc/82/28/19/1073822819.db2.gz FKCQYTIZYISVBM-QGZVFWFLSA-N 1 0 420.558 0.663 20 0 HCADRO COc1cc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc(OC)c1OC ZINC000604633773 1073823372 /nfs/dbraw/zinc/82/33/72/1073823372.db2.gz GMHPCLOOZSIYSB-KRWDZBQOSA-N 1 0 422.526 0.918 20 0 HCADRO COc1cc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc(OC)c1OC ZINC000604633774 1073823416 /nfs/dbraw/zinc/82/34/16/1073823416.db2.gz GMHPCLOOZSIYSB-QGZVFWFLSA-N 1 0 422.526 0.918 20 0 HCADRO COc1cc(OC)c(OC)cc1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604634050 1073822869 /nfs/dbraw/zinc/82/28/69/1073822869.db2.gz ZPTUKGOBTVPNEL-KRWDZBQOSA-N 1 0 422.526 0.918 20 0 HCADRO COc1cc(OC)c(OC)cc1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604634051 1073822994 /nfs/dbraw/zinc/82/29/94/1073822994.db2.gz ZPTUKGOBTVPNEL-QGZVFWFLSA-N 1 0 422.526 0.918 20 0 HCADRO C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000604634150 1073822909 /nfs/dbraw/zinc/82/29/09/1073822909.db2.gz FSNZYJJVKROQHC-DOTOQJQBSA-N 1 0 409.556 0.816 20 0 HCADRO C[C@@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000604634151 1073822969 /nfs/dbraw/zinc/82/29/69/1073822969.db2.gz FSNZYJJVKROQHC-NVXWUHKLSA-N 1 0 409.556 0.816 20 0 HCADRO C[C@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000604634152 1073822917 /nfs/dbraw/zinc/82/29/17/1073822917.db2.gz FSNZYJJVKROQHC-RDJZCZTQSA-N 1 0 409.556 0.816 20 0 HCADRO C[C@@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000604634153 1073823525 /nfs/dbraw/zinc/82/35/25/1073823525.db2.gz FSNZYJJVKROQHC-WBVHZDCISA-N 1 0 409.556 0.816 20 0 HCADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000604635685 1073823288 /nfs/dbraw/zinc/82/32/88/1073823288.db2.gz IZNNBHQMQLWZFX-AWEZNQCLSA-N 1 0 415.585 0.578 20 0 HCADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000604635686 1073823263 /nfs/dbraw/zinc/82/32/63/1073823263.db2.gz IZNNBHQMQLWZFX-CQSZACIVSA-N 1 0 415.585 0.578 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604635788 1073824065 /nfs/dbraw/zinc/82/40/65/1073824065.db2.gz PAUZJFWAYALVQQ-IBGZPJMESA-N 1 0 423.583 0.657 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604635789 1073824012 /nfs/dbraw/zinc/82/40/12/1073824012.db2.gz PAUZJFWAYALVQQ-LJQANCHMSA-N 1 0 423.583 0.657 20 0 HCADRO NC(=O)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604635842 1073824072 /nfs/dbraw/zinc/82/40/72/1073824072.db2.gz RPMZCMMMWYNGQE-IBGZPJMESA-N 1 0 403.527 0.480 20 0 HCADRO NC(=O)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604635843 1073824019 /nfs/dbraw/zinc/82/40/19/1073824019.db2.gz RPMZCMMMWYNGQE-LJQANCHMSA-N 1 0 403.527 0.480 20 0 HCADRO O=C(NCc1ccc(Cn2cncn2)cc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604635981 1073823511 /nfs/dbraw/zinc/82/35/11/1073823511.db2.gz ZRCVHRUYYGGXCS-FQEVSTJZSA-N 1 0 413.526 0.532 20 0 HCADRO O=C(NCc1ccc(Cn2cncn2)cc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604635982 1073823430 /nfs/dbraw/zinc/82/34/30/1073823430.db2.gz ZRCVHRUYYGGXCS-HXUWFJFHSA-N 1 0 413.526 0.532 20 0 HCADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604636010 1073824091 /nfs/dbraw/zinc/82/40/91/1073824091.db2.gz BMBICVDKGAXPGX-GOSISDBHSA-N 1 0 423.583 0.858 20 0 HCADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604636011 1073823992 /nfs/dbraw/zinc/82/39/92/1073823992.db2.gz BMBICVDKGAXPGX-SFHVURJKSA-N 1 0 423.583 0.858 20 0 HCADRO O=C(NCCc1nnc2n1CCCCC2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604636371 1073823500 /nfs/dbraw/zinc/82/35/00/1073823500.db2.gz XQQSNFWSGRRGDU-KRWDZBQOSA-N 1 0 405.547 0.253 20 0 HCADRO O=C(NCCc1nnc2n1CCCCC2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604636372 1073823386 /nfs/dbraw/zinc/82/33/86/1073823386.db2.gz XQQSNFWSGRRGDU-QGZVFWFLSA-N 1 0 405.547 0.253 20 0 HCADRO C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636393 1073823312 /nfs/dbraw/zinc/82/33/12/1073823312.db2.gz ZGRFYBDLSVPRNK-CEXWTWQISA-N 1 0 411.591 0.580 20 0 HCADRO C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604636394 1073823297 /nfs/dbraw/zinc/82/32/97/1073823297.db2.gz ZGRFYBDLSVPRNK-GUDVDZBRSA-N 1 0 411.591 0.580 20 0 HCADRO C[C@@H]1CN(C(C)(C)CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636395 1073823481 /nfs/dbraw/zinc/82/34/81/1073823481.db2.gz ZGRFYBDLSVPRNK-OTWHNJEPSA-N 1 0 411.591 0.580 20 0 HCADRO C[C@@H]1CN(C(C)(C)CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604636396 1073823393 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/nfs/dbraw/zinc/83/78/68/1073837868.db2.gz RTIOWBGDEWRXJV-ROUUACIJSA-N 1 0 403.531 0.151 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000604641371 1073837950 /nfs/dbraw/zinc/83/79/50/1073837950.db2.gz RTIOWBGDEWRXJV-ZWKOTPCHSA-N 1 0 403.531 0.151 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)C1 ZINC000604641476 1073837851 /nfs/dbraw/zinc/83/78/51/1073837851.db2.gz YLSVNYAXQDUPCP-IBGZPJMESA-N 1 0 423.583 0.527 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)C1 ZINC000604641477 1073837977 /nfs/dbraw/zinc/83/79/77/1073837977.db2.gz YLSVNYAXQDUPCP-LJQANCHMSA-N 1 0 423.583 0.527 20 0 HCADRO COc1cccc(CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1OC ZINC000604641553 1073837785 /nfs/dbraw/zinc/83/77/85/1073837785.db2.gz BIVBPKPERUDQAZ-GOSISDBHSA-N 1 0 406.527 0.952 20 0 HCADRO COc1cccc(CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1OC ZINC000604641554 1073837817 /nfs/dbraw/zinc/83/78/17/1073837817.db2.gz BIVBPKPERUDQAZ-SFHVURJKSA-N 1 0 406.527 0.952 20 0 HCADRO O=C(NCCOc1ccc2c(c1)OCO2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604641664 1073838327 /nfs/dbraw/zinc/83/83/27/1073838327.db2.gz HYZBTUBOVZZGLB-INIZCTEOSA-N 1 0 406.483 0.500 20 0 HCADRO O=C(NCCOc1ccc2c(c1)OCO2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604641665 1073838413 /nfs/dbraw/zinc/83/84/13/1073838413.db2.gz HYZBTUBOVZZGLB-MRXNPFEDSA-N 1 0 406.483 0.500 20 0 HCADRO O=C(NCc1cccc(C(=O)NC2CC2)c1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604641724 1073838471 /nfs/dbraw/zinc/83/84/71/1073838471.db2.gz KRCXCESEKMVUNE-FQEVSTJZSA-N 1 0 415.538 0.785 20 0 HCADRO O=C(NCc1cccc(C(=O)NC2CC2)c1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604641725 1073838387 /nfs/dbraw/zinc/83/83/87/1073838387.db2.gz KRCXCESEKMVUNE-HXUWFJFHSA-N 1 0 415.538 0.785 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)C1 ZINC000604641731 1073838353 /nfs/dbraw/zinc/83/83/53/1073838353.db2.gz LRZAPZFYROQPRL-KRWDZBQOSA-N 1 0 405.547 0.193 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)C1 ZINC000604641732 1073838281 /nfs/dbraw/zinc/83/82/81/1073838281.db2.gz LRZAPZFYROQPRL-QGZVFWFLSA-N 1 0 405.547 0.193 20 0 HCADRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc2c(c1)CC(=O)N2 ZINC000604641841 1073838911 /nfs/dbraw/zinc/83/89/11/1073838911.db2.gz UNTXPIHJCHNOFU-CRAIPNDOSA-N 1 0 401.511 0.948 20 0 HCADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc2c(c1)CC(=O)N2 ZINC000604641842 1073838848 /nfs/dbraw/zinc/83/88/48/1073838848.db2.gz UNTXPIHJCHNOFU-MAUKXSAKSA-N 1 0 401.511 0.948 20 0 HCADRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc2c(c1)CC(=O)N2 ZINC000604641843 1073838938 /nfs/dbraw/zinc/83/89/38/1073838938.db2.gz UNTXPIHJCHNOFU-QAPCUYQASA-N 1 0 401.511 0.948 20 0 HCADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc2c(c1)CC(=O)N2 ZINC000604641844 1073838955 /nfs/dbraw/zinc/83/89/55/1073838955.db2.gz UNTXPIHJCHNOFU-YJBOKZPZSA-N 1 0 401.511 0.948 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604641943 1073838401 /nfs/dbraw/zinc/83/84/01/1073838401.db2.gz YQFKZTQHGFDVPD-GOSISDBHSA-N 1 0 423.583 0.858 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604641944 1073838345 /nfs/dbraw/zinc/83/83/45/1073838345.db2.gz YQFKZTQHGFDVPD-SFHVURJKSA-N 1 0 423.583 0.858 20 0 HCADRO COc1cc(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1OCCO ZINC000604641978 1073838303 /nfs/dbraw/zinc/83/83/03/1073838303.db2.gz AHLDFUXNIQIEKV-GOSISDBHSA-N 1 0 406.527 0.988 20 0 HCADRO COc1cc(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1OCCO ZINC000604641979 1073838895 /nfs/dbraw/zinc/83/88/95/1073838895.db2.gz AHLDFUXNIQIEKV-SFHVURJKSA-N 1 0 406.527 0.988 20 0 HCADRO COc1ccc(C(=O)NCCNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604642043 1073838986 /nfs/dbraw/zinc/83/89/86/1073838986.db2.gz FAWBLLCLTHWCHO-GOSISDBHSA-N 1 0 403.527 0.846 20 0 HCADRO COc1ccc(C(=O)NCCNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604642044 1073839009 /nfs/dbraw/zinc/83/90/09/1073839009.db2.gz FAWBLLCLTHWCHO-SFHVURJKSA-N 1 0 403.527 0.846 20 0 HCADRO COc1ccc(C(=O)NCCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604642094 1073838452 /nfs/dbraw/zinc/83/84/52/1073838452.db2.gz GWUCBQPNAIOJNZ-GOSISDBHSA-N 1 0 419.526 0.131 20 0 HCADRO COc1ccc(C(=O)NCCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604642095 1073838245 /nfs/dbraw/zinc/83/82/45/1073838245.db2.gz GWUCBQPNAIOJNZ-SFHVURJKSA-N 1 0 419.526 0.131 20 0 HCADRO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(OC)c1OC ZINC000604642247 1073838273 /nfs/dbraw/zinc/83/82/73/1073838273.db2.gz QBFFGRVBQMNCTK-QGZVFWFLSA-N 1 0 422.526 0.918 20 0 HCADRO COc1cc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1OCCO ZINC000604642329 1073838293 /nfs/dbraw/zinc/83/82/93/1073838293.db2.gz VTFMIIWUJGAHQK-GOSISDBHSA-N 1 0 422.526 0.272 20 0 HCADRO COc1cc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1OCCO ZINC000604642330 1073838315 /nfs/dbraw/zinc/83/83/15/1073838315.db2.gz VTFMIIWUJGAHQK-SFHVURJKSA-N 1 0 422.526 0.272 20 0 HCADRO CNC(=O)COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604642440 1073838442 /nfs/dbraw/zinc/83/84/42/1073838442.db2.gz CEOMBBHMTTXAFX-GOSISDBHSA-N 1 0 419.526 0.017 20 0 HCADRO CNC(=O)COc1cccc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604642441 1073838260 /nfs/dbraw/zinc/83/82/60/1073838260.db2.gz CEOMBBHMTTXAFX-SFHVURJKSA-N 1 0 419.526 0.017 20 0 HCADRO CNC(=O)COc1cccc(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604642464 1073838378 /nfs/dbraw/zinc/83/83/78/1073838378.db2.gz FGRMZPDAVZUUTO-GOSISDBHSA-N 1 0 403.527 0.733 20 0 HCADRO CNC(=O)COc1cccc(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604642465 1073838484 /nfs/dbraw/zinc/83/84/84/1073838484.db2.gz FGRMZPDAVZUUTO-SFHVURJKSA-N 1 0 403.527 0.733 20 0 HCADRO CN(Cc1ccccc1)C(=O)CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604642723 1073839556 /nfs/dbraw/zinc/83/95/56/1073839556.db2.gz WMZIORAMHHJUII-IBGZPJMESA-N 1 0 403.527 0.351 20 0 HCADRO CN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604642724 1073839500 /nfs/dbraw/zinc/83/95/00/1073839500.db2.gz WMZIORAMHHJUII-LJQANCHMSA-N 1 0 403.527 0.351 20 0 HCADRO CS(=O)(=O)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604642841 1073838886 /nfs/dbraw/zinc/83/88/86/1073838886.db2.gz CDZYDNJJNQXGIS-IBGZPJMESA-N 1 0 424.567 0.437 20 0 HCADRO CS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604642842 1073839531 /nfs/dbraw/zinc/83/95/31/1073839531.db2.gz CDZYDNJJNQXGIS-LJQANCHMSA-N 1 0 424.567 0.437 20 0 HCADRO Cc1cccc(C(=O)NCCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604643236 1073838864 /nfs/dbraw/zinc/83/88/64/1073838864.db2.gz AYMHCEWHERGAKO-IBGZPJMESA-N 1 0 403.527 0.431 20 0 HCADRO Cc1cccc(C(=O)NCCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604643237 1073839015 /nfs/dbraw/zinc/83/90/15/1073839015.db2.gz AYMHCEWHERGAKO-LJQANCHMSA-N 1 0 403.527 0.431 20 0 HCADRO O=C(NCCNC(=O)c1ccccc1F)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643326 1073838838 /nfs/dbraw/zinc/83/88/38/1073838838.db2.gz GGYCCXQBHAHHPP-INIZCTEOSA-N 1 0 407.490 0.261 20 0 HCADRO O=C(NCCNC(=O)c1ccccc1F)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643327 1073838948 /nfs/dbraw/zinc/83/89/48/1073838948.db2.gz GGYCCXQBHAHHPP-MRXNPFEDSA-N 1 0 407.490 0.261 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)C1 ZINC000604643595 1073838805 /nfs/dbraw/zinc/83/88/05/1073838805.db2.gz RERREFJJAPNMGT-INIZCTEOSA-N 1 0 408.524 0.652 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)C1 ZINC000604643596 1073838877 /nfs/dbraw/zinc/83/88/77/1073838877.db2.gz RERREFJJAPNMGT-MRXNPFEDSA-N 1 0 408.524 0.652 20 0 HCADRO COCCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643647 1073839511 /nfs/dbraw/zinc/83/95/11/1073839511.db2.gz UDVAYUZLPCGBLX-IBGZPJMESA-N 1 0 406.527 0.918 20 0 HCADRO COCCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643648 1073839365 /nfs/dbraw/zinc/83/93/65/1073839365.db2.gz UDVAYUZLPCGBLX-LJQANCHMSA-N 1 0 406.527 0.918 20 0 HCADRO O=C(CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)Nc1ccc(Cl)cc1 ZINC000604643918 1073839405 /nfs/dbraw/zinc/83/94/05/1073839405.db2.gz IMDYCHKQECZULA-KRWDZBQOSA-N 1 0 409.918 0.984 20 0 HCADRO O=C(CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Nc1ccc(Cl)cc1 ZINC000604643919 1073839543 /nfs/dbraw/zinc/83/95/43/1073839543.db2.gz IMDYCHKQECZULA-QGZVFWFLSA-N 1 0 409.918 0.984 20 0 HCADRO O=C(NCCN1CCc2sccc2C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604644002 1073839344 /nfs/dbraw/zinc/83/93/44/1073839344.db2.gz NCEZVNFVYZTZGK-GOSISDBHSA-N 1 0 407.584 0.812 20 0 HCADRO O=C(NCCN1CCc2sccc2C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604644003 1073839441 /nfs/dbraw/zinc/83/94/41/1073839441.db2.gz NCEZVNFVYZTZGK-SFHVURJKSA-N 1 0 407.584 0.812 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)C1 ZINC000604644074 1073839461 /nfs/dbraw/zinc/83/94/61/1073839461.db2.gz RBGDDPCXEWTICX-AZUAARDMSA-N 1 0 411.616 0.616 20 0 HCADRO 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C[C@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)c1nnnn1-c1ccccc1 ZINC000604656398 1073828987 /nfs/dbraw/zinc/82/89/87/1073828987.db2.gz QLGGFDKFUHEXIS-KRWDZBQOSA-N 1 0 416.530 0.413 20 0 HCADRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)c1nnnn1-c1ccccc1 ZINC000604656399 1073828795 /nfs/dbraw/zinc/82/87/95/1073828795.db2.gz QLGGFDKFUHEXIS-QGZVFWFLSA-N 1 0 416.530 0.413 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000604657524 1073828911 /nfs/dbraw/zinc/82/89/11/1073828911.db2.gz BPJVXHFDFIHRDG-UHFFFAOYSA-N 1 0 401.508 0.298 20 0 HCADRO CC(C)[C@H](CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[NH+]1CCN(C)CC1 ZINC000604657756 1073829912 /nfs/dbraw/zinc/82/99/12/1073829912.db2.gz AXFJWFPRLYLDSQ-KRWDZBQOSA-N 1 0 415.535 0.544 20 0 HCADRO CC(C)[C@@H](CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[NH+]1CCN(C)CC1 ZINC000604657757 1073829829 /nfs/dbraw/zinc/82/98/29/1073829829.db2.gz AXFJWFPRLYLDSQ-QGZVFWFLSA-N 1 0 415.535 0.544 20 0 HCADRO NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000604658035 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1 0 407.584 0.982 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(Cc2ccsc2)CC1 ZINC000604667493 1073831391 /nfs/dbraw/zinc/83/13/91/1073831391.db2.gz ASRSSHUSXHOXDC-LJQANCHMSA-N 1 0 407.584 0.982 20 0 HCADRO Cc1cc(CN2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)no1 ZINC000604667512 1073831259 /nfs/dbraw/zinc/83/12/59/1073831259.db2.gz BJZDWFLSDZJCGY-GOSISDBHSA-N 1 0 406.531 0.217 20 0 HCADRO Cc1cc(CN2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)no1 ZINC000604667513 1073831370 /nfs/dbraw/zinc/83/13/70/1073831370.db2.gz BJZDWFLSDZJCGY-SFHVURJKSA-N 1 0 406.531 0.217 20 0 HCADRO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604667618 1073831347 /nfs/dbraw/zinc/83/13/47/1073831347.db2.gz GAQFCMUAPOTFRR-PMACEKPBSA-N 1 0 417.554 0.392 20 0 HCADRO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604667619 1073831413 /nfs/dbraw/zinc/83/14/13/1073831413.db2.gz GAQFCMUAPOTFRR-UXHICEINSA-N 1 0 417.554 0.392 20 0 HCADRO 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C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)CC2)C1 ZINC000604681765 1073845057 /nfs/dbraw/zinc/84/50/57/1073845057.db2.gz GRYUUUXYDSKPDB-QGZVFWFLSA-N 1 0 414.510 0.607 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(OC)c1OC ZINC000604681780 1073847511 /nfs/dbraw/zinc/84/75/11/1073847511.db2.gz HFECCWUPQXEXBL-HNNXBMFYSA-N 1 0 420.510 0.889 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(OC)c1OC ZINC000604681781 1073847481 /nfs/dbraw/zinc/84/74/81/1073847481.db2.gz HFECCWUPQXEXBL-OAHLLOKOSA-N 1 0 420.510 0.889 20 0 HCADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604681794 1073847534 /nfs/dbraw/zinc/84/75/34/1073847534.db2.gz IDXZFEXZEJVKLX-GOSISDBHSA-N 1 0 401.511 0.152 20 0 HCADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604681795 1073847430 /nfs/dbraw/zinc/84/74/30/1073847430.db2.gz IDXZFEXZEJVKLX-SFHVURJKSA-N 1 0 401.511 0.152 20 0 HCADRO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604681809 1073847425 /nfs/dbraw/zinc/84/74/25/1073847425.db2.gz ITRWKIGXMYMRNH-GOSISDBHSA-N 1 0 401.511 0.613 20 0 HCADRO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604681810 1073847454 /nfs/dbraw/zinc/84/74/54/1073847454.db2.gz ITRWKIGXMYMRNH-SFHVURJKSA-N 1 0 401.511 0.613 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CC2)C1 ZINC000604681820 1073847570 /nfs/dbraw/zinc/84/75/70/1073847570.db2.gz JBNUHNGNDYTDTC-GOSISDBHSA-N 1 0 400.527 0.859 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CC2)C1 ZINC000604681821 1073847492 /nfs/dbraw/zinc/84/74/92/1073847492.db2.gz JBNUHNGNDYTDTC-SFHVURJKSA-N 1 0 400.527 0.859 20 0 HCADRO CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604681822 1073847446 /nfs/dbraw/zinc/84/74/46/1073847446.db2.gz JEXQCAKBYBKKGA-GOSISDBHSA-N 1 0 401.511 0.613 20 0 HCADRO CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604681823 1073847543 /nfs/dbraw/zinc/84/75/43/1073847543.db2.gz JEXQCAKBYBKKGA-SFHVURJKSA-N 1 0 401.511 0.613 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CC2)C1 ZINC000604681843 1073847547 /nfs/dbraw/zinc/84/75/47/1073847547.db2.gz JTJDEJGFEZJWSK-HNNXBMFYSA-N 1 0 417.485 0.887 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CC2)C1 ZINC000604681844 1073847584 /nfs/dbraw/zinc/84/75/84/1073847584.db2.gz JTJDEJGFEZJWSK-OAHLLOKOSA-N 1 0 417.485 0.887 20 0 HCADRO COCCOc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604681855 1073847852 /nfs/dbraw/zinc/84/78/52/1073847852.db2.gz JYYYGEISNRZRAK-GOSISDBHSA-N 1 0 404.511 0.889 20 0 HCADRO COCCOc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604681856 1073847889 /nfs/dbraw/zinc/84/78/89/1073847889.db2.gz JYYYGEISNRZRAK-SFHVURJKSA-N 1 0 404.511 0.889 20 0 HCADRO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000604681859 1073847775 /nfs/dbraw/zinc/84/77/75/1073847775.db2.gz KBDSKDQQUJHPIM-HNNXBMFYSA-N 1 0 420.510 0.904 20 0 HCADRO CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000604681860 1073847874 /nfs/dbraw/zinc/84/78/74/1073847874.db2.gz KBDSKDQQUJHPIM-OAHLLOKOSA-N 1 0 420.510 0.904 20 0 HCADRO Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000604681887 1073847928 /nfs/dbraw/zinc/84/79/28/1073847928.db2.gz LCFRMYKKYKHNDA-UHFFFAOYSA-N 1 0 400.483 0.726 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2)C1 ZINC000604681895 1073847823 /nfs/dbraw/zinc/84/78/23/1073847823.db2.gz LOLQEJSFBIHYFE-IBGZPJMESA-N 1 0 413.522 0.756 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2)C1 ZINC000604681896 1073847797 /nfs/dbraw/zinc/84/77/97/1073847797.db2.gz LOLQEJSFBIHYFE-LJQANCHMSA-N 1 0 413.522 0.756 20 0 HCADRO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000604681911 1073847768 /nfs/dbraw/zinc/84/77/68/1073847768.db2.gz MFOLUSQXCQMSPC-UHFFFAOYSA-N 1 0 420.510 0.445 20 0 HCADRO CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604681919 1073847128 /nfs/dbraw/zinc/84/71/28/1073847128.db2.gz MQDCAYSZRRTUMV-GOSISDBHSA-N 1 0 401.511 0.565 20 0 HCADRO CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604681920 1073847068 /nfs/dbraw/zinc/84/70/68/1073847068.db2.gz MQDCAYSZRRTUMV-SFHVURJKSA-N 1 0 401.511 0.565 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3Cn3cncn3)CC2)C1 ZINC000604681947 1073846970 /nfs/dbraw/zinc/84/69/70/1073846970.db2.gz NZMPXFOSZVJPDD-GOSISDBHSA-N 1 0 411.510 0.503 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3Cn3cncn3)CC2)C1 ZINC000604681948 1073847152 /nfs/dbraw/zinc/84/71/52/1073847152.db2.gz NZMPXFOSZVJPDD-SFHVURJKSA-N 1 0 411.510 0.503 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(CS(C)(=O)=O)cc3)CC2)C1 ZINC000604681949 1073847032 /nfs/dbraw/zinc/84/70/32/1073847032.db2.gz OBZJBKOEWSZSTP-GOSISDBHSA-N 1 0 422.551 0.408 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(CS(C)(=O)=O)cc3)CC2)C1 ZINC000604681950 1073847020 /nfs/dbraw/zinc/84/70/20/1073847020.db2.gz OBZJBKOEWSZSTP-SFHVURJKSA-N 1 0 422.551 0.408 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(Cl)c3)CC2)C1 ZINC000604681954 1073847000 /nfs/dbraw/zinc/84/70/00/1073847000.db2.gz OGJGHTSSQLMTIF-AWEZNQCLSA-N 1 0 407.902 0.616 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(Cl)c3)CC2)C1 ZINC000604681955 1073847079 /nfs/dbraw/zinc/84/70/79/1073847079.db2.gz OGJGHTSSQLMTIF-CQSZACIVSA-N 1 0 407.902 0.616 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)C1 ZINC000604681956 1073847140 /nfs/dbraw/zinc/84/71/40/1073847140.db2.gz OITZBPREURBPOK-HNNXBMFYSA-N 1 0 401.467 0.194 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)C1 ZINC000604681957 1073847057 /nfs/dbraw/zinc/84/70/57/1073847057.db2.gz OITZBPREURBPOK-OAHLLOKOSA-N 1 0 401.467 0.194 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CS3)CC1 ZINC000604681958 1073847116 /nfs/dbraw/zinc/84/71/16/1073847116.db2.gz OJNAFAJBWUXBMO-UHFFFAOYSA-N 1 0 406.508 0.975 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)CC2)C1 ZINC000604681981 1073847047 /nfs/dbraw/zinc/84/70/47/1073847047.db2.gz PQNAJDIOAHVSCP-INIZCTEOSA-N 1 0 408.524 0.267 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)CC2)C1 ZINC000604681982 1073846986 /nfs/dbraw/zinc/84/69/86/1073846986.db2.gz PQNAJDIOAHVSCP-MRXNPFEDSA-N 1 0 408.524 0.267 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1-n1cnnn1 ZINC000604681990 1073847086 /nfs/dbraw/zinc/84/70/86/1073847086.db2.gz PXVUHMZYLKEEAQ-KRWDZBQOSA-N 1 0 412.498 0.148 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1-n1cnnn1 ZINC000604681991 1073846945 /nfs/dbraw/zinc/84/69/45/1073846945.db2.gz PXVUHMZYLKEEAQ-QGZVFWFLSA-N 1 0 412.498 0.148 20 0 HCADRO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604682000 1073847104 /nfs/dbraw/zinc/84/71/04/1073847104.db2.gz QILWTRHYQGXFLK-KRWDZBQOSA-N 1 0 417.510 0.831 20 0 HCADRO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604682001 1073846932 /nfs/dbraw/zinc/84/69/32/1073846932.db2.gz QILWTRHYQGXFLK-QGZVFWFLSA-N 1 0 417.510 0.831 20 0 HCADRO Cn1c2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)cc2oc1=O ZINC000604682006 1073846976 /nfs/dbraw/zinc/84/69/76/1073846976.db2.gz QKTNIXUUTIYEBY-HNNXBMFYSA-N 1 0 401.467 0.308 20 0 HCADRO Cn1c2ccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cc2oc1=O ZINC000604682007 1073847472 /nfs/dbraw/zinc/84/74/72/1073847472.db2.gz QKTNIXUUTIYEBY-OAHLLOKOSA-N 1 0 401.467 0.308 20 0 HCADRO COCCOc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000604682013 1073847439 /nfs/dbraw/zinc/84/74/39/1073847439.db2.gz QTMDMOSDURQWHT-KRWDZBQOSA-N 1 0 405.499 0.284 20 0 HCADRO COCCOc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000604682014 1073847463 /nfs/dbraw/zinc/84/74/63/1073847463.db2.gz QTMDMOSDURQWHT-QGZVFWFLSA-N 1 0 405.499 0.284 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1NC(C)=O ZINC000604682015 1073847523 /nfs/dbraw/zinc/84/75/23/1073847523.db2.gz QVKDQCKGQQWXGC-KRWDZBQOSA-N 1 0 417.510 0.831 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1NC(C)=O ZINC000604682016 1073847563 /nfs/dbraw/zinc/84/75/63/1073847563.db2.gz QVKDQCKGQQWXGC-QGZVFWFLSA-N 1 0 417.510 0.831 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cccc1-n1cnnn1 ZINC000604682023 1073847579 /nfs/dbraw/zinc/84/75/79/1073847579.db2.gz RCFUEOFVJZXVTC-INIZCTEOSA-N 1 0 412.498 0.148 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cccc1-n1cnnn1 ZINC000604682024 1073847557 /nfs/dbraw/zinc/84/75/57/1073847557.db2.gz RCFUEOFVJZXVTC-MRXNPFEDSA-N 1 0 412.498 0.148 20 0 HCADRO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682067 1073846132 /nfs/dbraw/zinc/84/61/32/1073846132.db2.gz UDOVXVNACCEUPY-INIZCTEOSA-N 1 0 422.551 0.575 20 0 HCADRO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682068 1073846170 /nfs/dbraw/zinc/84/61/70/1073846170.db2.gz UDOVXVNACCEUPY-MRXNPFEDSA-N 1 0 422.551 0.575 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)C1 ZINC000604682081 1073846149 /nfs/dbraw/zinc/84/61/49/1073846149.db2.gz UOTHZQTVTIMHBD-GOSISDBHSA-N 1 0 414.510 0.393 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)C1 ZINC000604682082 1073846572 /nfs/dbraw/zinc/84/65/72/1073846572.db2.gz UOTHZQTVTIMHBD-SFHVURJKSA-N 1 0 414.510 0.393 20 0 HCADRO 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CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000604682099 1073846589 /nfs/dbraw/zinc/84/65/89/1073846589.db2.gz VRJAHXSITVZTOZ-UHFFFAOYSA-N 1 0 411.524 0.724 20 0 HCADRO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000604682100 1073846631 /nfs/dbraw/zinc/84/66/31/1073846631.db2.gz VRPGQUYWXSUOEG-UHFFFAOYSA-N 1 0 420.510 0.641 20 0 HCADRO CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604682137 1073846562 /nfs/dbraw/zinc/84/65/62/1073846562.db2.gz XPLALVWUBOMYOK-KRWDZBQOSA-N 1 0 401.511 0.532 20 0 HCADRO CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604682138 1073846610 /nfs/dbraw/zinc/84/66/10/1073846610.db2.gz XPLALVWUBOMYOK-QGZVFWFLSA-N 1 0 401.511 0.532 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000604682176 1073846527 /nfs/dbraw/zinc/84/65/27/1073846527.db2.gz YSJXNEVBNJLHOT-INIZCTEOSA-N 1 0 408.524 0.267 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000604682177 1073846619 /nfs/dbraw/zinc/84/66/19/1073846619.db2.gz YSJXNEVBNJLHOT-MRXNPFEDSA-N 1 0 408.524 0.267 20 0 HCADRO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c(C)c1 ZINC000604682178 1073846554 /nfs/dbraw/zinc/84/65/54/1073846554.db2.gz YVCYLPAEDMGXBZ-UHFFFAOYSA-N 1 0 404.511 0.988 20 0 HCADRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682179 1073846668 /nfs/dbraw/zinc/84/66/68/1073846668.db2.gz YVNNGPXLNSPFJX-INIZCTEOSA-N 1 0 422.551 0.575 20 0 HCADRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682180 1073846648 /nfs/dbraw/zinc/84/66/48/1073846648.db2.gz YVNNGPXLNSPFJX-MRXNPFEDSA-N 1 0 422.551 0.575 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)CC2)C1 ZINC000604682189 1073846683 /nfs/dbraw/zinc/84/66/83/1073846683.db2.gz ZKVHPMSTCOLKSZ-CYBMUJFWSA-N 1 0 415.416 0.983 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)CC2)C1 ZINC000604682190 1073846674 /nfs/dbraw/zinc/84/66/74/1073846674.db2.gz ZKVHPMSTCOLKSZ-ZDUSSCGKSA-N 1 0 415.416 0.983 20 0 HCADRO CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604682202 1073846957 /nfs/dbraw/zinc/84/69/57/1073846957.db2.gz ZYHYQYMRRQDHIG-HNNXBMFYSA-N 1 0 421.929 0.877 20 0 HCADRO CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604682203 1073847098 /nfs/dbraw/zinc/84/70/98/1073847098.db2.gz ZYHYQYMRRQDHIG-OAHLLOKOSA-N 1 0 421.929 0.877 20 0 HCADRO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604682284 1073846083 /nfs/dbraw/zinc/84/60/83/1073846083.db2.gz DVEAATCIGYQNSV-GOSISDBHSA-N 1 0 415.538 0.874 20 0 HCADRO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604682285 1073846166 /nfs/dbraw/zinc/84/61/66/1073846166.db2.gz DVEAATCIGYQNSV-SFHVURJKSA-N 1 0 415.538 0.874 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)CC2)C1 ZINC000604682321 1073846111 /nfs/dbraw/zinc/84/61/11/1073846111.db2.gz GSYXJGMGNRSYFS-KRWDZBQOSA-N 1 0 416.526 0.095 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)CC2)C1 ZINC000604682322 1073846060 /nfs/dbraw/zinc/84/60/60/1073846060.db2.gz GSYXJGMGNRSYFS-QGZVFWFLSA-N 1 0 416.526 0.095 20 0 HCADRO CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)cc2C1=O ZINC000604682327 1073846205 /nfs/dbraw/zinc/84/62/05/1073846205.db2.gz GTVBSCCJWXWFSF-HNNXBMFYSA-N 1 0 413.478 0.089 20 0 HCADRO CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cc2C1=O ZINC000604682328 1073846070 /nfs/dbraw/zinc/84/60/70/1073846070.db2.gz GTVBSCCJWXWFSF-OAHLLOKOSA-N 1 0 413.478 0.089 20 0 HCADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1F ZINC000604682333 1073846195 /nfs/dbraw/zinc/84/61/95/1073846195.db2.gz HACOBTIXIJACTQ-INIZCTEOSA-N 1 0 405.474 0.961 20 0 HCADRO CC(=O)Nc1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1F ZINC000604682334 1073846213 /nfs/dbraw/zinc/84/62/13/1073846213.db2.gz HACOBTIXIJACTQ-MRXNPFEDSA-N 1 0 405.474 0.961 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc(OC)c1OC ZINC000604682336 1073846050 /nfs/dbraw/zinc/84/60/50/1073846050.db2.gz HFMRDAILPRLSNY-INIZCTEOSA-N 1 0 420.510 0.889 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc(OC)c1OC ZINC000604682337 1073846188 /nfs/dbraw/zinc/84/61/88/1073846188.db2.gz HFMRDAILPRLSNY-MRXNPFEDSA-N 1 0 420.510 0.889 20 0 HCADRO COCCOc1ccccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604682341 1073846036 /nfs/dbraw/zinc/84/60/36/1073846036.db2.gz HLXWUEIACSCMCU-KRWDZBQOSA-N 1 0 404.511 0.889 20 0 HCADRO COCCOc1ccccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604682342 1073846101 /nfs/dbraw/zinc/84/61/01/1073846101.db2.gz HLXWUEIACSCMCU-QGZVFWFLSA-N 1 0 404.511 0.889 20 0 HCADRO CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)ccc21 ZINC000604682373 1073845469 /nfs/dbraw/zinc/84/54/69/1073845469.db2.gz IRZGPPBYJYTTCE-IBGZPJMESA-N 1 0 413.522 0.773 20 0 HCADRO CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)ccc21 ZINC000604682374 1073845487 /nfs/dbraw/zinc/84/54/87/1073845487.db2.gz IRZGPPBYJYTTCE-LJQANCHMSA-N 1 0 413.522 0.773 20 0 HCADRO COCCOc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682417 1073845586 /nfs/dbraw/zinc/84/55/86/1073845586.db2.gz KAQUZHJHMWZBMY-GOSISDBHSA-N 1 0 404.511 0.889 20 0 HCADRO COCCOc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682418 1073845547 /nfs/dbraw/zinc/84/55/47/1073845547.db2.gz KAQUZHJHMWZBMY-SFHVURJKSA-N 1 0 404.511 0.889 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)CC2)C1 ZINC000604682450 1073845504 /nfs/dbraw/zinc/84/55/04/1073845504.db2.gz LSCCTWNHBLXAND-INIZCTEOSA-N 1 0 417.510 0.118 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)CC2)C1 ZINC000604682451 1073845652 /nfs/dbraw/zinc/84/56/52/1073845652.db2.gz LSCCTWNHBLXAND-MRXNPFEDSA-N 1 0 417.510 0.118 20 0 HCADRO COCCOc1ncccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604682464 1073845615 /nfs/dbraw/zinc/84/56/15/1073845615.db2.gz MDJVHJSTKSTCIJ-INIZCTEOSA-N 1 0 405.499 0.284 20 0 HCADRO COCCOc1ncccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604682465 1073846123 /nfs/dbraw/zinc/84/61/23/1073846123.db2.gz MDJVHJSTKSTCIJ-MRXNPFEDSA-N 1 0 405.499 0.284 20 0 HCADRO CN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)ccc21 ZINC000604682502 1073845048 /nfs/dbraw/zinc/84/50/48/1073845048.db2.gz NMLQAVXJWCQZRZ-GOSISDBHSA-N 1 0 413.522 0.773 20 0 HCADRO CN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)ccc21 ZINC000604682503 1073844974 /nfs/dbraw/zinc/84/49/74/1073844974.db2.gz NMLQAVXJWCQZRZ-SFHVURJKSA-N 1 0 413.522 0.773 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)C1 ZINC000604682514 1073845001 /nfs/dbraw/zinc/84/50/01/1073845001.db2.gz NQVUMHVBEFWFGJ-LJQANCHMSA-N 1 0 413.522 0.990 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CS4)CC2)C1 ZINC000604682517 1073844943 /nfs/dbraw/zinc/84/49/43/1073844943.db2.gz NSRFDQDVLAWGTC-HNNXBMFYSA-N 1 0 417.535 0.908 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CS4)CC2)C1 ZINC000604682518 1073845088 /nfs/dbraw/zinc/84/50/88/1073845088.db2.gz NSRFDQDVLAWGTC-OAHLLOKOSA-N 1 0 417.535 0.908 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)C1 ZINC000604682531 1073844981 /nfs/dbraw/zinc/84/49/81/1073844981.db2.gz OESVNTPHOQRAIK-FQEVSTJZSA-N 1 0 415.538 0.700 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)C1 ZINC000604682532 1073845631 /nfs/dbraw/zinc/84/56/31/1073845631.db2.gz OESVNTPHOQRAIK-HXUWFJFHSA-N 1 0 415.538 0.700 20 0 HCADRO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC000604682566 1073845433 /nfs/dbraw/zinc/84/54/33/1073845433.db2.gz PLYQKKUYERGWQB-GOSISDBHSA-N 1 0 415.538 0.922 20 0 HCADRO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC000604682567 1073845594 /nfs/dbraw/zinc/84/55/94/1073845594.db2.gz PLYQKKUYERGWQB-SFHVURJKSA-N 1 0 415.538 0.922 20 0 HCADRO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682577 1073845623 /nfs/dbraw/zinc/84/56/23/1073845623.db2.gz PUIRXVCXYLQTML-KRWDZBQOSA-N 1 0 422.551 0.657 20 0 HCADRO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682578 1073845498 /nfs/dbraw/zinc/84/54/98/1073845498.db2.gz PUIRXVCXYLQTML-QGZVFWFLSA-N 1 0 422.551 0.657 20 0 HCADRO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604682583 1073845573 /nfs/dbraw/zinc/84/55/73/1073845573.db2.gz PWYHLBBRHAJPMN-INIZCTEOSA-N 1 0 417.510 0.232 20 0 HCADRO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604682584 1073845561 /nfs/dbraw/zinc/84/55/61/1073845561.db2.gz PWYHLBBRHAJPMN-MRXNPFEDSA-N 1 0 417.510 0.232 20 0 HCADRO Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604682591 1073845450 /nfs/dbraw/zinc/84/54/50/1073845450.db2.gz QKIAFCRQVXDGQE-GOSISDBHSA-N 1 0 411.510 0.659 20 0 HCADRO Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604682592 1073845532 /nfs/dbraw/zinc/84/55/32/1073845532.db2.gz QKIAFCRQVXDGQE-SFHVURJKSA-N 1 0 411.510 0.659 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)CC2)C1 ZINC000604682621 1073845604 /nfs/dbraw/zinc/84/56/04/1073845604.db2.gz SDKKQNPPIUKERG-IBGZPJMESA-N 1 0 411.510 0.503 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)CC2)C1 ZINC000604682622 1073845640 /nfs/dbraw/zinc/84/56/40/1073845640.db2.gz SDKKQNPPIUKERG-LJQANCHMSA-N 1 0 411.510 0.503 20 0 HCADRO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604682670 1073844960 /nfs/dbraw/zinc/84/49/60/1073844960.db2.gz VPOAWLGNBMCJMY-GOSISDBHSA-N 1 0 415.538 0.922 20 0 HCADRO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604682671 1073845076 /nfs/dbraw/zinc/84/50/76/1073845076.db2.gz VPOAWLGNBMCJMY-SFHVURJKSA-N 1 0 415.538 0.922 20 0 HCADRO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682672 1073845110 /nfs/dbraw/zinc/84/51/10/1073845110.db2.gz VWZLBSKHYOLINA-IBGZPJMESA-N 1 0 415.538 0.494 20 0 HCADRO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682673 1073845024 /nfs/dbraw/zinc/84/50/24/1073845024.db2.gz VWZLBSKHYOLINA-LJQANCHMSA-N 1 0 415.538 0.494 20 0 HCADRO CNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000604682691 1073847923 /nfs/dbraw/zinc/84/79/23/1073847923.db2.gz WSGSYYVVWBZWHV-HNNXBMFYSA-N 1 0 421.929 0.877 20 0 HCADRO CNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000604682692 1073847860 /nfs/dbraw/zinc/84/78/60/1073847860.db2.gz WSGSYYVVWBZWHV-OAHLLOKOSA-N 1 0 421.929 0.877 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1-n1cnnn1 ZINC000604682699 1073847786 /nfs/dbraw/zinc/84/77/86/1073847786.db2.gz WVSYUIHBIFKBFT-KRWDZBQOSA-N 1 0 412.498 0.148 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1-n1cnnn1 ZINC000604682700 1073847810 /nfs/dbraw/zinc/84/78/10/1073847810.db2.gz WVSYUIHBIFKBFT-QGZVFWFLSA-N 1 0 412.498 0.148 20 0 HCADRO CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682730 1073847913 /nfs/dbraw/zinc/84/79/13/1073847913.db2.gz YDMAUBBZJIEQJN-GOSISDBHSA-N 1 0 401.511 0.565 20 0 HCADRO CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682731 1073847829 /nfs/dbraw/zinc/84/78/29/1073847829.db2.gz YDMAUBBZJIEQJN-SFHVURJKSA-N 1 0 401.511 0.565 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(N4CCCC4=O)c3)CC2)C1 ZINC000604682746 1073847836 /nfs/dbraw/zinc/84/78/36/1073847836.db2.gz YQUMOCIVCPTUOU-IBGZPJMESA-N 1 0 413.522 0.990 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(N4CCCC4=O)c3)CC2)C1 ZINC000604682747 1073847903 /nfs/dbraw/zinc/84/79/03/1073847903.db2.gz YQUMOCIVCPTUOU-LJQANCHMSA-N 1 0 413.522 0.990 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1NC(C)=O ZINC000604682748 1073847803 /nfs/dbraw/zinc/84/78/03/1073847803.db2.gz YRICFTKCSBRATG-KRWDZBQOSA-N 1 0 417.510 0.831 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1NC(C)=O ZINC000604682749 1073847867 /nfs/dbraw/zinc/84/78/67/1073847867.db2.gz YRICFTKCSBRATG-QGZVFWFLSA-N 1 0 417.510 0.831 20 0 HCADRO CNC(=O)c1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1Cl ZINC000604682754 1073847883 /nfs/dbraw/zinc/84/78/83/1073847883.db2.gz ZJHJMCZHGDRDLA-HNNXBMFYSA-N 1 0 421.929 0.877 20 0 HCADRO CNC(=O)c1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1Cl ZINC000604682755 1073847845 /nfs/dbraw/zinc/84/78/45/1073847845.db2.gz ZJHJMCZHGDRDLA-OAHLLOKOSA-N 1 0 421.929 0.877 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(Cn4cncn4)c3)CC2)C1 ZINC000604682767 1073848293 /nfs/dbraw/zinc/84/82/93/1073848293.db2.gz ZPENYRSRGXIJGG-IBGZPJMESA-N 1 0 411.510 0.503 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(Cn4cncn4)c3)CC2)C1 ZINC000604682768 1073848180 /nfs/dbraw/zinc/84/81/80/1073848180.db2.gz ZPENYRSRGXIJGG-LJQANCHMSA-N 1 0 411.510 0.503 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)[C@H](C)C1 ZINC000604687372 1073848598 /nfs/dbraw/zinc/84/85/98/1073848598.db2.gz QHAUNKHVANBGSP-CRAIPNDOSA-N 1 0 404.511 0.906 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)[C@@H](C)C1 ZINC000604687373 1073848514 /nfs/dbraw/zinc/84/85/14/1073848514.db2.gz QHAUNKHVANBGSP-MAUKXSAKSA-N 1 0 404.511 0.906 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)[C@H](C)C1 ZINC000604687374 1073848527 /nfs/dbraw/zinc/84/85/27/1073848527.db2.gz QHAUNKHVANBGSP-QAPCUYQASA-N 1 0 404.511 0.906 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)[C@@H](C)C1 ZINC000604687375 1073848578 /nfs/dbraw/zinc/84/85/78/1073848578.db2.gz QHAUNKHVANBGSP-YJBOKZPZSA-N 1 0 404.511 0.906 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC3(C(N)=O)CCCC3)ccc2oc1=O ZINC000604688828 1073848947 /nfs/dbraw/zinc/84/89/47/1073848947.db2.gz MRZLGNOXWXLOLS-UHFFFAOYSA-N 1 0 417.466 0.257 20 0 HCADRO CC[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000604690648 1073849402 /nfs/dbraw/zinc/84/94/02/1073849402.db2.gz SGZFAEOKMYZYQY-GOSISDBHSA-N 1 0 402.495 0.960 20 0 HCADRO CC[C@H]1COCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000604690649 1073849448 /nfs/dbraw/zinc/84/94/48/1073849448.db2.gz SGZFAEOKMYZYQY-SFHVURJKSA-N 1 0 402.495 0.960 20 0 HCADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000604714258 1073843054 /nfs/dbraw/zinc/84/30/54/1073843054.db2.gz QVMZWCRYVZYVKR-HNNXBMFYSA-N 1 0 424.505 0.776 20 0 HCADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000604714259 1073843144 /nfs/dbraw/zinc/84/31/44/1073843144.db2.gz QVMZWCRYVZYVKR-OAHLLOKOSA-N 1 0 424.505 0.776 20 0 HCADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000604714338 1073842987 /nfs/dbraw/zinc/84/29/87/1073842987.db2.gz JKFHWVGVSITSOU-HNNXBMFYSA-N 1 0 424.505 0.776 20 0 HCADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000604714339 1073843138 /nfs/dbraw/zinc/84/31/38/1073843138.db2.gz JKFHWVGVSITSOU-OAHLLOKOSA-N 1 0 424.505 0.776 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)CS(=O)(=O)c2ccc(C(C)=O)c(F)c2)CC1 ZINC000604740210 1073851926 /nfs/dbraw/zinc/85/19/26/1073851926.db2.gz JSTPYBLDDCWACZ-UHFFFAOYSA-N 1 0 413.515 0.946 20 0 HCADRO COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CC(=O)N2C)cc1 ZINC000604740664 1073852044 /nfs/dbraw/zinc/85/20/44/1073852044.db2.gz GJZPLLQOLQYDSB-FXAWDEMLSA-N 1 0 402.495 0.447 20 0 HCADRO COc1ccc([C@H]2[C@@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CC(=O)N2C)cc1 ZINC000604740665 1073851930 /nfs/dbraw/zinc/85/19/30/1073851930.db2.gz GJZPLLQOLQYDSB-PXNSSMCTSA-N 1 0 402.495 0.447 20 0 HCADRO COc1ccc([C@H]2[C@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CC(=O)N2C)cc1 ZINC000604740666 1073851978 /nfs/dbraw/zinc/85/19/78/1073851978.db2.gz GJZPLLQOLQYDSB-XLIONFOSSA-N 1 0 402.495 0.447 20 0 HCADRO COc1ccc([C@@H]2[C@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CC(=O)N2C)cc1 ZINC000604740667 1073852079 /nfs/dbraw/zinc/85/20/79/1073852079.db2.gz GJZPLLQOLQYDSB-YLJYHZDGSA-N 1 0 402.495 0.447 20 0 HCADRO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC(=O)N2C)cc1 ZINC000604744005 1073853353 /nfs/dbraw/zinc/85/33/53/1073853353.db2.gz PNBOGAMQZKBIFF-JENIJYKNSA-N 1 0 402.495 0.671 20 0 HCADRO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC(=O)N2C)cc1 ZINC000604744011 1073853316 /nfs/dbraw/zinc/85/33/16/1073853316.db2.gz PNBOGAMQZKBIFF-YQVWRLOYSA-N 1 0 402.495 0.671 20 0 HCADRO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC(=O)N2C)cc1 ZINC000604744016 1073853332 /nfs/dbraw/zinc/85/33/32/1073853332.db2.gz PNBOGAMQZKBIFF-ZHALLVOQSA-N 1 0 402.495 0.671 20 0 HCADRO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC(=O)N2C)cc1 ZINC000604744018 1073853263 /nfs/dbraw/zinc/85/32/63/1073853263.db2.gz PNBOGAMQZKBIFF-ZIFCJYIRSA-N 1 0 402.495 0.671 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)CCCN2CC[NH+](C)CC2)cc1F ZINC000604745117 1073853242 /nfs/dbraw/zinc/85/32/42/1073853242.db2.gz XLMOVXPZLWSYKV-UHFFFAOYSA-N 1 0 413.515 0.898 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)CC(=O)NCCCN2CCC[N@@H+](C)CC2)cc1F ZINC000604747000 1073850724 /nfs/dbraw/zinc/85/07/24/1073850724.db2.gz RRIFTCWYOOAVRM-UHFFFAOYSA-N 1 0 413.515 0.946 20 0 HCADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CC2)c1 ZINC000604763639 1073855774 /nfs/dbraw/zinc/85/57/74/1073855774.db2.gz DUTHAGGUIOGKNN-UHFFFAOYSA-N 1 0 402.476 0.887 20 0 HCADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000604763813 1073855736 /nfs/dbraw/zinc/85/57/36/1073855736.db2.gz HSLRAVXHHJXYKV-UHFFFAOYSA-N 1 0 424.567 0.258 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000604764643 1073855757 /nfs/dbraw/zinc/85/57/57/1073855757.db2.gz YIGWVKGAJVPKMM-KRWDZBQOSA-N 1 0 406.552 0.763 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000604764644 1073855748 /nfs/dbraw/zinc/85/57/48/1073855748.db2.gz YIGWVKGAJVPKMM-QGZVFWFLSA-N 1 0 406.552 0.763 20 0 HCADRO Cc1nc(COc2ccc(C[NH2+][C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2)no1 ZINC000604765970 1073856598 /nfs/dbraw/zinc/85/65/98/1073856598.db2.gz YBEXLHPUHQARBX-MSOLQXFVSA-N 1 0 422.507 0.544 20 0 HCADRO Cc1nc(COc2ccc(C[NH2+][C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2)no1 ZINC000604765971 1073856535 /nfs/dbraw/zinc/85/65/35/1073856535.db2.gz YBEXLHPUHQARBX-QZTJIDSGSA-N 1 0 422.507 0.544 20 0 HCADRO Cc1nc(COc2ccc(C[NH2+][C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2)no1 ZINC000604765972 1073856591 /nfs/dbraw/zinc/85/65/91/1073856591.db2.gz YBEXLHPUHQARBX-ROUUACIJSA-N 1 0 422.507 0.544 20 0 HCADRO Cc1nc(COc2ccc(C[NH2+][C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2)no1 ZINC000604765973 1073856624 /nfs/dbraw/zinc/85/66/24/1073856624.db2.gz YBEXLHPUHQARBX-ZWKOTPCHSA-N 1 0 422.507 0.544 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)CC2)C1 ZINC000604767226 1073857109 /nfs/dbraw/zinc/85/71/09/1073857109.db2.gz ZHFMMLUENQPEQP-KRWDZBQOSA-N 1 0 415.581 0.632 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)CC2)C1 ZINC000604767227 1073857032 /nfs/dbraw/zinc/85/70/32/1073857032.db2.gz ZHFMMLUENQPEQP-QGZVFWFLSA-N 1 0 415.581 0.632 20 0 HCADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000604774039 1073853706 /nfs/dbraw/zinc/85/37/06/1073853706.db2.gz BZABOHMMNNCKTE-AWEZNQCLSA-N 1 0 424.475 0.813 20 0 HCADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000604774040 1073854169 /nfs/dbraw/zinc/85/41/69/1073854169.db2.gz BZABOHMMNNCKTE-CQSZACIVSA-N 1 0 424.475 0.813 20 0 HCADRO CCN(C(=O)[C@H](C)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000604774384 1073853787 /nfs/dbraw/zinc/85/37/87/1073853787.db2.gz VKWCWPQGPOOPFY-FHWLQOOXSA-N 1 0 414.616 0.512 20 0 HCADRO CCN(C(=O)[C@H](C)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000604774386 1073853643 /nfs/dbraw/zinc/85/36/43/1073853643.db2.gz VKWCWPQGPOOPFY-GBESFXJTSA-N 1 0 414.616 0.512 20 0 HCADRO CCN(C(=O)[C@H](C)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000604774387 1073853771 /nfs/dbraw/zinc/85/37/71/1073853771.db2.gz VKWCWPQGPOOPFY-IPMKNSEASA-N 1 0 414.616 0.512 20 0 HCADRO CCN(C(=O)[C@H](C)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000604774388 1073853678 /nfs/dbraw/zinc/85/36/78/1073853678.db2.gz VKWCWPQGPOOPFY-OTWHNJEPSA-N 1 0 414.616 0.512 20 0 HCADRO Cc1ccc(N(C)C2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)nn1 ZINC000604782617 1073854133 /nfs/dbraw/zinc/85/41/33/1073854133.db2.gz OJBNGJSYPQGLSE-KRWDZBQOSA-N 1 0 403.531 0.735 20 0 HCADRO Cc1ccc(N(C)C2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)nn1 ZINC000604782619 1073854201 /nfs/dbraw/zinc/85/42/01/1073854201.db2.gz OJBNGJSYPQGLSE-QGZVFWFLSA-N 1 0 403.531 0.735 20 0 HCADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000604787906 1073854185 /nfs/dbraw/zinc/85/41/85/1073854185.db2.gz GBKYBKVFVNUGJV-MSOLQXFVSA-N 1 0 401.515 0.484 20 0 HCADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000604787907 1073854101 /nfs/dbraw/zinc/85/41/01/1073854101.db2.gz GBKYBKVFVNUGJV-QZTJIDSGSA-N 1 0 401.515 0.484 20 0 HCADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000604787908 1073854179 /nfs/dbraw/zinc/85/41/79/1073854179.db2.gz GBKYBKVFVNUGJV-ROUUACIJSA-N 1 0 401.515 0.484 20 0 HCADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000604787909 1073854606 /nfs/dbraw/zinc/85/46/06/1073854606.db2.gz GBKYBKVFVNUGJV-ZWKOTPCHSA-N 1 0 401.515 0.484 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000604788332 1073854194 /nfs/dbraw/zinc/85/41/94/1073854194.db2.gz HNKNAFNHCRFPBJ-IBGZPJMESA-N 1 0 414.506 0.267 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000604788333 1073854089 /nfs/dbraw/zinc/85/40/89/1073854089.db2.gz HNKNAFNHCRFPBJ-LJQANCHMSA-N 1 0 414.506 0.267 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000604788379 1073854147 /nfs/dbraw/zinc/85/41/47/1073854147.db2.gz JAGGIIINMOLRJZ-INIZCTEOSA-N 1 0 402.495 0.961 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000604788380 1073854232 /nfs/dbraw/zinc/85/42/32/1073854232.db2.gz JAGGIIINMOLRJZ-MRXNPFEDSA-N 1 0 402.495 0.961 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000604788382 1073854059 /nfs/dbraw/zinc/85/40/59/1073854059.db2.gz JJECGRFBVCUWLK-HNNXBMFYSA-N 1 0 401.504 0.703 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000604788384 1073854125 /nfs/dbraw/zinc/85/41/25/1073854125.db2.gz JJECGRFBVCUWLK-OAHLLOKOSA-N 1 0 401.504 0.703 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000604789064 1073854726 /nfs/dbraw/zinc/85/47/26/1073854726.db2.gz XITRZIDCCMASAM-GOSISDBHSA-N 1 0 424.567 0.691 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000604789065 1073854578 /nfs/dbraw/zinc/85/45/78/1073854578.db2.gz XITRZIDCCMASAM-SFHVURJKSA-N 1 0 424.567 0.691 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 ZINC000604789942 1073854687 /nfs/dbraw/zinc/85/46/87/1073854687.db2.gz LQBVTECXCHOCFF-KRWDZBQOSA-N 1 0 412.490 0.833 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 ZINC000604789943 1073854571 /nfs/dbraw/zinc/85/45/71/1073854571.db2.gz LQBVTECXCHOCFF-QGZVFWFLSA-N 1 0 412.490 0.833 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000604790002 1073854696 /nfs/dbraw/zinc/85/46/96/1073854696.db2.gz QKYSXTVNGPDBPL-AWEZNQCLSA-N 1 0 403.570 0.662 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000604790003 1073854558 /nfs/dbraw/zinc/85/45/58/1073854558.db2.gz QKYSXTVNGPDBPL-CQSZACIVSA-N 1 0 403.570 0.662 20 0 HCADRO COc1c(F)cc(CC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1S(N)(=O)=O ZINC000604790106 1073854733 /nfs/dbraw/zinc/85/47/33/1073854733.db2.gz YFRCAMBLQQVFCH-AWEZNQCLSA-N 1 0 417.503 0.233 20 0 HCADRO COc1c(F)cc(CC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1S(N)(=O)=O ZINC000604790107 1073854596 /nfs/dbraw/zinc/85/45/96/1073854596.db2.gz YFRCAMBLQQVFCH-CQSZACIVSA-N 1 0 417.503 0.233 20 0 HCADRO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000604820716 1073857391 /nfs/dbraw/zinc/85/73/91/1073857391.db2.gz WSDAVUKTIKJQAD-MOPGFXCFSA-N 1 0 411.591 0.759 20 0 HCADRO CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000604820717 1073857497 /nfs/dbraw/zinc/85/74/97/1073857497.db2.gz WSDAVUKTIKJQAD-OALUTQOASA-N 1 0 411.591 0.759 20 0 HCADRO CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000604820718 1073857350 /nfs/dbraw/zinc/85/73/50/1073857350.db2.gz WSDAVUKTIKJQAD-RBUKOAKNSA-N 1 0 411.591 0.759 20 0 HCADRO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000604820719 1073857455 /nfs/dbraw/zinc/85/74/55/1073857455.db2.gz WSDAVUKTIKJQAD-RTBURBONSA-N 1 0 411.591 0.759 20 0 HCADRO C[NH+](C)CC[C@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(C)(C)C ZINC000604827187 1073857726 /nfs/dbraw/zinc/85/77/26/1073857726.db2.gz PRTZSJXWZLHNGI-HNNXBMFYSA-N 1 0 409.531 0.356 20 0 HCADRO C[NH+](C)CC[C@@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(C)(C)C ZINC000604827188 1073857782 /nfs/dbraw/zinc/85/77/82/1073857782.db2.gz PRTZSJXWZLHNGI-OAHLLOKOSA-N 1 0 409.531 0.356 20 0 HCADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cnc2n(C)c1=O ZINC000604834500 1073858051 /nfs/dbraw/zinc/85/80/51/1073858051.db2.gz RUKQKPCMDKWXQP-AWEZNQCLSA-N 1 0 418.498 0.053 20 0 HCADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cnc2n(C)c1=O ZINC000604834504 1073857969 /nfs/dbraw/zinc/85/79/69/1073857969.db2.gz RUKQKPCMDKWXQP-CQSZACIVSA-N 1 0 418.498 0.053 20 0 HCADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)C(C)(C)C ZINC000604836539 1073858447 /nfs/dbraw/zinc/85/84/47/1073858447.db2.gz LHUQNJYAHOPTFN-HNNXBMFYSA-N 1 0 405.499 0.323 20 0 HCADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)C(C)(C)C ZINC000604836540 1073858570 /nfs/dbraw/zinc/85/85/70/1073858570.db2.gz LHUQNJYAHOPTFN-OAHLLOKOSA-N 1 0 405.499 0.323 20 0 HCADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CCn2nc3ccccn3c2=O)cc1 ZINC000604865358 1073861145 /nfs/dbraw/zinc/86/11/45/1073861145.db2.gz ZYGQDPFJSPFSJA-UHFFFAOYSA-N 1 0 410.478 0.494 20 0 HCADRO CN1CCN(C(=O)CCNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000604866353 1073861199 /nfs/dbraw/zinc/86/11/99/1073861199.db2.gz MZSXJDDFKUXULX-UHFFFAOYSA-N 1 0 401.555 0.869 20 0 HCADRO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)C[C@H]1CC ZINC000604869320 1073858038 /nfs/dbraw/zinc/85/80/38/1073858038.db2.gz MLOFNXUDTFQZQX-GOEBONIOSA-N 1 0 416.544 0.918 20 0 HCADRO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)C[C@@H]1CC ZINC000604869325 1073858096 /nfs/dbraw/zinc/85/80/96/1073858096.db2.gz MLOFNXUDTFQZQX-HOCLYGCPSA-N 1 0 416.544 0.918 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000604871510 1073863809 /nfs/dbraw/zinc/86/38/09/1073863809.db2.gz DFERTRIXXJTNIH-BBRMVZONSA-N 1 0 412.512 0.101 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000604871514 1073863753 /nfs/dbraw/zinc/86/37/53/1073863753.db2.gz DFERTRIXXJTNIH-XJKSGUPXSA-N 1 0 412.512 0.101 20 0 HCADRO C[NH+](C)C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CCO1 ZINC000604872434 1073864250 /nfs/dbraw/zinc/86/42/50/1073864250.db2.gz CHPNUEOXQBQSHP-DZGCQCFKSA-N 1 0 410.421 0.959 20 0 HCADRO C[NH+](C)C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CCO1 ZINC000604872435 1073864352 /nfs/dbraw/zinc/86/43/52/1073864352.db2.gz CHPNUEOXQBQSHP-HIFRSBDPSA-N 1 0 410.421 0.959 20 0 HCADRO C[NH+](C)C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CCO1 ZINC000604872436 1073864360 /nfs/dbraw/zinc/86/43/60/1073864360.db2.gz CHPNUEOXQBQSHP-UKRRQHHQSA-N 1 0 410.421 0.959 20 0 HCADRO C[NH+](C)C[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CCO1 ZINC000604872437 1073864312 /nfs/dbraw/zinc/86/43/12/1073864312.db2.gz CHPNUEOXQBQSHP-ZFWWWQNUSA-N 1 0 410.421 0.959 20 0 HCADRO C[NH+](C)C[C@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCO1 ZINC000604872518 1073864279 /nfs/dbraw/zinc/86/42/79/1073864279.db2.gz AMPVECIGKWETGU-AWEZNQCLSA-N 1 0 403.526 0.172 20 0 HCADRO C[NH+](C)C[C@@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCO1 ZINC000604872519 1073864332 /nfs/dbraw/zinc/86/43/32/1073864332.db2.gz AMPVECIGKWETGU-CQSZACIVSA-N 1 0 403.526 0.172 20 0 HCADRO COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)C(C)C)cc1 ZINC000604873149 1073864380 /nfs/dbraw/zinc/86/43/80/1073864380.db2.gz PRWYAXVINTYKJW-AEFFLSMTSA-N 1 0 413.540 0.787 20 0 HCADRO COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)C(C)C)cc1 ZINC000604873150 1073864372 /nfs/dbraw/zinc/86/43/72/1073864372.db2.gz PRWYAXVINTYKJW-WMZOPIPTSA-N 1 0 413.540 0.787 20 0 HCADRO Cc1c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000604879282 1073867806 /nfs/dbraw/zinc/86/78/06/1073867806.db2.gz MVZFPIHBRQPIAP-HNNXBMFYSA-N 1 0 418.523 0.327 20 0 HCADRO Cc1c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000604879283 1073867761 /nfs/dbraw/zinc/86/77/61/1073867761.db2.gz MVZFPIHBRQPIAP-OAHLLOKOSA-N 1 0 418.523 0.327 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2C[NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000604890940 1073870383 /nfs/dbraw/zinc/87/03/83/1073870383.db2.gz VSVKSQWMYCESTP-INIZCTEOSA-N 1 0 404.540 0.651 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2C[NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000604890941 1073870450 /nfs/dbraw/zinc/87/04/50/1073870450.db2.gz VSVKSQWMYCESTP-MRXNPFEDSA-N 1 0 404.540 0.651 20 0 HCADRO CS(=O)(=O)N[C@H]1CCN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000604894352 1073861708 /nfs/dbraw/zinc/86/17/08/1073861708.db2.gz HPVQVIZLMFGGKW-IBGZPJMESA-N 1 0 423.583 0.527 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000604894353 1073861569 /nfs/dbraw/zinc/86/15/69/1073861569.db2.gz HPVQVIZLMFGGKW-LJQANCHMSA-N 1 0 423.583 0.527 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](NS(C)(=O)=O)C3)cn2)CC1 ZINC000604895573 1073862125 /nfs/dbraw/zinc/86/21/25/1073862125.db2.gz XIPQZMUGWNWLIJ-INIZCTEOSA-N 1 0 410.544 0.057 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cn2)CC1 ZINC000604895574 1073862137 /nfs/dbraw/zinc/86/21/37/1073862137.db2.gz XIPQZMUGWNWLIJ-MRXNPFEDSA-N 1 0 410.544 0.057 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000604896793 1073862189 /nfs/dbraw/zinc/86/21/89/1073862189.db2.gz XWQWJYSHVQNXTJ-IBGZPJMESA-N 1 0 423.583 0.657 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000604896794 1073862092 /nfs/dbraw/zinc/86/20/92/1073862092.db2.gz XWQWJYSHVQNXTJ-LJQANCHMSA-N 1 0 423.583 0.657 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000604896824 1073862160 /nfs/dbraw/zinc/86/21/60/1073862160.db2.gz YZHJYFGXOHLGPW-IBGZPJMESA-N 1 0 423.583 0.657 20 0 HCADRO CC[N@H+](CCNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C1CC1 ZINC000604898072 1073862638 /nfs/dbraw/zinc/86/26/38/1073862638.db2.gz ASTLGGRDOXWWHR-UHFFFAOYSA-N 1 0 423.583 0.906 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)N3CC[C@H](NS(C)(=O)=O)C3)CCCC2)CC1 ZINC000604898793 1073862675 /nfs/dbraw/zinc/86/26/75/1073862675.db2.gz WSDAAWWORJITPA-HNNXBMFYSA-N 1 0 402.561 0.743 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)CCCC2)CC1 ZINC000604898794 1073862696 /nfs/dbraw/zinc/86/26/96/1073862696.db2.gz WSDAAWWORJITPA-OAHLLOKOSA-N 1 0 402.561 0.743 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000604899239 1073862974 /nfs/dbraw/zinc/86/29/74/1073862974.db2.gz QJZHQIKLLSILDH-QGZVFWFLSA-N 1 0 410.540 0.994 20 0 HCADRO C[NH+]1CCC(CNC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 ZINC000604907396 1073863780 /nfs/dbraw/zinc/86/37/80/1073863780.db2.gz HEYFLPCRZOFFIX-UHFFFAOYSA-N 1 0 410.544 0.627 20 0 HCADRO CC[NH+](CC)CCNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000604911393 1073875517 /nfs/dbraw/zinc/87/55/17/1073875517.db2.gz CNTPPJLJRMPVOA-UHFFFAOYSA-N 1 0 411.572 0.764 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000604911554 1073875125 /nfs/dbraw/zinc/87/51/25/1073875125.db2.gz YTALHPGTGOFOJD-UHFFFAOYSA-N 1 0 423.583 0.908 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000604911680 1073875236 /nfs/dbraw/zinc/87/52/36/1073875236.db2.gz HKNKGMUPSLGGJH-UHFFFAOYSA-N 1 0 409.556 0.516 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000604915529 1073870739 /nfs/dbraw/zinc/87/07/39/1073870739.db2.gz HSYSZKLPGRXHEM-KRWDZBQOSA-N 1 0 409.556 0.516 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604915530 1073870755 /nfs/dbraw/zinc/87/07/55/1073870755.db2.gz HSYSZKLPGRXHEM-QGZVFWFLSA-N 1 0 409.556 0.516 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604919266 1073871318 /nfs/dbraw/zinc/87/13/18/1073871318.db2.gz QGQYQKJSKJWASJ-KRWDZBQOSA-N 1 0 423.583 0.764 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000604919267 1073871269 /nfs/dbraw/zinc/87/12/69/1073871269.db2.gz QGQYQKJSKJWASJ-QGZVFWFLSA-N 1 0 423.583 0.764 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000604919643 1073870871 /nfs/dbraw/zinc/87/08/71/1073870871.db2.gz IYWHNZBBLIESJY-UHFFFAOYSA-N 1 0 409.556 0.516 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000604920975 1073871354 /nfs/dbraw/zinc/87/13/54/1073871354.db2.gz SJQBUFZYYVRJAO-UHFFFAOYSA-N 1 0 409.556 0.470 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000604921171 1073871367 /nfs/dbraw/zinc/87/13/67/1073871367.db2.gz VVHWPKTTZMGRIQ-GOSISDBHSA-N 1 0 423.583 0.858 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000604921172 1073871299 /nfs/dbraw/zinc/87/12/99/1073871299.db2.gz VVHWPKTTZMGRIQ-SFHVURJKSA-N 1 0 423.583 0.858 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000604923013 1073871264 /nfs/dbraw/zinc/87/12/64/1073871264.db2.gz JYPKMIHDDMAUSB-GFCCVEGCSA-N 1 0 403.888 0.522 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000604923014 1073871236 /nfs/dbraw/zinc/87/12/36/1073871236.db2.gz JYPKMIHDDMAUSB-LBPRGKRZSA-N 1 0 403.888 0.522 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc1Cl ZINC000604923967 1073871692 /nfs/dbraw/zinc/87/16/92/1073871692.db2.gz IEXLIGYOCQMOCV-UHFFFAOYSA-N 1 0 420.919 0.274 20 0 HCADRO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000604924191 1073871756 /nfs/dbraw/zinc/87/17/56/1073871756.db2.gz WBBSBTIJLYUTLJ-UHFFFAOYSA-N 1 0 420.919 0.274 20 0 HCADRO CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000604924305 1073871736 /nfs/dbraw/zinc/87/17/36/1073871736.db2.gz GQIBKQDUCIAPAL-CYBMUJFWSA-N 1 0 417.915 0.864 20 0 HCADRO CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000604924306 1073871765 /nfs/dbraw/zinc/87/17/65/1073871765.db2.gz GQIBKQDUCIAPAL-ZDUSSCGKSA-N 1 0 417.915 0.864 20 0 HCADRO C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000604926340 1073872052 /nfs/dbraw/zinc/87/20/52/1073872052.db2.gz JDAFDQPGZGJKGO-LLVKDONJSA-N 1 0 405.904 0.768 20 0 HCADRO C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000604926341 1073871960 /nfs/dbraw/zinc/87/19/60/1073871960.db2.gz JDAFDQPGZGJKGO-NSHDSACASA-N 1 0 405.904 0.768 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000604927712 1073872372 /nfs/dbraw/zinc/87/23/72/1073872372.db2.gz KLMVOKVBEKCKOV-GOSISDBHSA-N 1 0 422.551 0.804 20 0 HCADRO CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000604927713 1073872441 /nfs/dbraw/zinc/87/24/41/1073872441.db2.gz KLMVOKVBEKCKOV-SFHVURJKSA-N 1 0 422.551 0.804 20 0 HCADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000604927718 1073872379 /nfs/dbraw/zinc/87/23/79/1073872379.db2.gz KVDQIONCNQJIKZ-HNNXBMFYSA-N 1 0 412.512 0.106 20 0 HCADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000604927719 1073872434 /nfs/dbraw/zinc/87/24/34/1073872434.db2.gz KVDQIONCNQJIKZ-OAHLLOKOSA-N 1 0 412.512 0.106 20 0 HCADRO CC1(C)C[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CCCO1 ZINC000604999344 1073878072 /nfs/dbraw/zinc/87/80/72/1073878072.db2.gz HWYIDDOOHSBBLE-IBGZPJMESA-N 1 0 417.506 0.998 20 0 HCADRO CC1(C)C[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CCCO1 ZINC000604999345 1073878157 /nfs/dbraw/zinc/87/81/57/1073878157.db2.gz HWYIDDOOHSBBLE-LJQANCHMSA-N 1 0 417.506 0.998 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCOC(C)(C)C2)CC1 ZINC000605000077 1073878111 /nfs/dbraw/zinc/87/81/11/1073878111.db2.gz LIPKHFZGUBGGSY-UHFFFAOYSA-N 1 0 414.528 0.625 20 0 HCADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000605022266 1073878995 /nfs/dbraw/zinc/87/89/95/1073878995.db2.gz COAJOMCIDYEKPV-MOPGFXCFSA-N 1 0 414.550 0.825 20 0 HCADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000605022267 1073879105 /nfs/dbraw/zinc/87/91/05/1073879105.db2.gz COAJOMCIDYEKPV-OALUTQOASA-N 1 0 414.550 0.825 20 0 HCADRO C[C@H](C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000605022268 1073878905 /nfs/dbraw/zinc/87/89/05/1073878905.db2.gz COAJOMCIDYEKPV-RBUKOAKNSA-N 1 0 414.550 0.825 20 0 HCADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000605022269 1073879074 /nfs/dbraw/zinc/87/90/74/1073879074.db2.gz COAJOMCIDYEKPV-RTBURBONSA-N 1 0 414.550 0.825 20 0 HCADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCc3nnc4ccccn43)CC2)C1 ZINC000605045859 1073881400 /nfs/dbraw/zinc/88/14/00/1073881400.db2.gz SWEQIVVXCIOHQF-KRWDZBQOSA-N 1 0 401.515 0.666 20 0 HCADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCc3nnc4ccccn43)CC2)C1 ZINC000605045860 1073881309 /nfs/dbraw/zinc/88/13/09/1073881309.db2.gz SWEQIVVXCIOHQF-QGZVFWFLSA-N 1 0 401.515 0.666 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)N1CC[NH+](C)CC1 ZINC000605062695 1073879650 /nfs/dbraw/zinc/87/96/50/1073879650.db2.gz ABQBALQCIVJTOZ-GOSISDBHSA-N 1 0 401.511 0.299 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)N1CC[NH+](C)CC1 ZINC000605062696 1073879723 /nfs/dbraw/zinc/87/97/23/1073879723.db2.gz ABQBALQCIVJTOZ-SFHVURJKSA-N 1 0 401.511 0.299 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)ccn2)CC1 ZINC000605063182 1073880046 /nfs/dbraw/zinc/88/00/46/1073880046.db2.gz UGEJFVUJQXPDFK-UHFFFAOYSA-N 1 0 422.489 0.374 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)cn2)CC1 ZINC000605063201 1073880061 /nfs/dbraw/zinc/88/00/61/1073880061.db2.gz VDLIVQACSYFCKP-UHFFFAOYSA-N 1 0 422.489 0.374 20 0 HCADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605063286 1073880008 /nfs/dbraw/zinc/88/00/08/1073880008.db2.gz YOUJOLGEABYNPD-LJQANCHMSA-N 1 0 422.485 0.446 20 0 HCADRO O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000605064294 1073880244 /nfs/dbraw/zinc/88/02/44/1073880244.db2.gz VOYZFDNWBJGRES-KRWDZBQOSA-N 1 0 400.479 0.624 20 0 HCADRO O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000605064295 1073880367 /nfs/dbraw/zinc/88/03/67/1073880367.db2.gz VOYZFDNWBJGRES-QGZVFWFLSA-N 1 0 400.479 0.624 20 0 HCADRO O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000605064332 1073880257 /nfs/dbraw/zinc/88/02/57/1073880257.db2.gz XFWLTXXRTOZDLP-UHFFFAOYSA-N 1 0 400.479 0.482 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605064708 1073880267 /nfs/dbraw/zinc/88/02/67/1073880267.db2.gz NGNBWLUXGUYVMG-UHFFFAOYSA-N 1 0 422.489 0.374 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)CC2)c1 ZINC000605065767 1073880662 /nfs/dbraw/zinc/88/06/62/1073880662.db2.gz GGCJWFJSRUFASP-UHFFFAOYSA-N 1 0 409.446 0.663 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605065872 1073880623 /nfs/dbraw/zinc/88/06/23/1073880623.db2.gz JXPHTHXJIASEHT-GOSISDBHSA-N 1 0 413.522 0.540 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605065873 1073880755 /nfs/dbraw/zinc/88/07/55/1073880755.db2.gz JXPHTHXJIASEHT-SFHVURJKSA-N 1 0 413.522 0.540 20 0 HCADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605065915 1073880352 /nfs/dbraw/zinc/88/03/52/1073880352.db2.gz LSJBECJIOOFCAG-UHFFFAOYSA-N 1 0 400.479 0.672 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605066174 1073880816 /nfs/dbraw/zinc/88/08/16/1073880816.db2.gz XEWFJGJPEXCALJ-UHFFFAOYSA-N 1 0 402.495 0.917 20 0 HCADRO Cc1c(C(=O)Nc2ccn(CCC(N)=O)n2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000605100224 1073881795 /nfs/dbraw/zinc/88/17/95/1073881795.db2.gz SCMVUCKUJUKVOJ-UHFFFAOYSA-N 1 0 408.466 0.888 20 0 HCADRO CC(=O)NC[C@H]1CN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CCO1 ZINC000605131159 1073886335 /nfs/dbraw/zinc/88/63/35/1073886335.db2.gz GRTHTKQBEOKZGJ-KRWDZBQOSA-N 1 0 412.494 0.541 20 0 HCADRO CC(=O)NC[C@@H]1CN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CCO1 ZINC000605131160 1073886418 /nfs/dbraw/zinc/88/64/18/1073886418.db2.gz GRTHTKQBEOKZGJ-QGZVFWFLSA-N 1 0 412.494 0.541 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1OC ZINC000605135355 1073887883 /nfs/dbraw/zinc/88/78/83/1073887883.db2.gz TWAULTAHAZCCCJ-AWEZNQCLSA-N 1 0 411.524 0.925 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1OC ZINC000605135356 1073887929 /nfs/dbraw/zinc/88/79/29/1073887929.db2.gz TWAULTAHAZCCCJ-CQSZACIVSA-N 1 0 411.524 0.925 20 0 HCADRO C[NH+]1CCN(c2cc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)ccn2)CC1 ZINC000605141921 1073891167 /nfs/dbraw/zinc/89/11/67/1073891167.db2.gz NYRWUFAIIYLUBU-UHFFFAOYSA-N 1 0 408.506 0.895 20 0 HCADRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1nc2ccccc2c(NCCO)n1 ZINC000605148926 1073899486 /nfs/dbraw/zinc/89/94/86/1073899486.db2.gz OVBSWRQPUYAFAD-KRWDZBQOSA-N 1 0 407.522 0.895 20 0 HCADRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1nc2ccccc2c(NCCO)n1 ZINC000605148927 1073899534 /nfs/dbraw/zinc/89/95/34/1073899534.db2.gz OVBSWRQPUYAFAD-QGZVFWFLSA-N 1 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NC(=O)c1ccc(N2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000605156781 1073901163 /nfs/dbraw/zinc/90/11/63/1073901163.db2.gz AKRYMLSXMJFJCB-UHFFFAOYSA-N 1 0 423.521 0.436 20 0 HCADRO COc1cc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc(Cl)c1OCC(N)=O ZINC000605165356 1073893734 /nfs/dbraw/zinc/89/37/34/1073893734.db2.gz NTYKAMLSESDZMV-AWEZNQCLSA-N 1 0 407.858 0.841 20 0 HCADRO COc1cc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cc(Cl)c1OCC(N)=O ZINC000605165357 1073893641 /nfs/dbraw/zinc/89/36/41/1073893641.db2.gz NTYKAMLSESDZMV-CQSZACIVSA-N 1 0 407.858 0.841 20 0 HCADRO COc1cc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc(OC)c1OCC(N)=O ZINC000605165390 1073893742 /nfs/dbraw/zinc/89/37/42/1073893742.db2.gz VWYYXAHTDUJDAW-AWEZNQCLSA-N 1 0 403.439 0.197 20 0 HCADRO COc1cc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cc(OC)c1OCC(N)=O ZINC000605165391 1073893681 /nfs/dbraw/zinc/89/36/81/1073893681.db2.gz VWYYXAHTDUJDAW-CQSZACIVSA-N 1 0 403.439 0.197 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C2=O)cn1 ZINC000605169625 1073894618 /nfs/dbraw/zinc/89/46/18/1073894618.db2.gz WOGIKDXUAUEOTI-KRWDZBQOSA-N 1 0 412.498 0.172 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C2=O)cn1 ZINC000605169626 1073894664 /nfs/dbraw/zinc/89/46/64/1073894664.db2.gz WOGIKDXUAUEOTI-QGZVFWFLSA-N 1 0 412.498 0.172 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)C2=O)cn1 ZINC000605170501 1073895130 /nfs/dbraw/zinc/89/51/30/1073895130.db2.gz XCHYIOPVXBXBLQ-KRWDZBQOSA-N 1 0 412.498 0.172 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)C2=O)cn1 ZINC000605170502 1073895094 /nfs/dbraw/zinc/89/50/94/1073895094.db2.gz XCHYIOPVXBXBLQ-QGZVFWFLSA-N 1 0 412.498 0.172 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)NCc3cccc(OCC[NH+](C)C)c3)C2=O)cn1 ZINC000605171176 1073895168 /nfs/dbraw/zinc/89/51/68/1073895168.db2.gz IVXBYFBWOOTZIS-GOSISDBHSA-N 1 0 400.483 0.965 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NCc3cccc(OCC[NH+](C)C)c3)C2=O)cn1 ZINC000605171177 1073895046 /nfs/dbraw/zinc/89/50/46/1073895046.db2.gz IVXBYFBWOOTZIS-SFHVURJKSA-N 1 0 400.483 0.965 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NCc3cccnc3N3CC[NH+](C)CC3)C2=O)cn1 ZINC000605172807 1073895661 /nfs/dbraw/zinc/89/56/61/1073895661.db2.gz VINGCAOHDGAGGN-KRWDZBQOSA-N 1 0 412.498 0.172 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)NCc3cccnc3N3CC[NH+](C)CC3)C2=O)cn1 ZINC000605172808 1073895556 /nfs/dbraw/zinc/89/55/56/1073895556.db2.gz VINGCAOHDGAGGN-QGZVFWFLSA-N 1 0 412.498 0.172 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NCc3ccccc3OCC[NH+](C)C)C2=O)cn1 ZINC000605172967 1073895648 /nfs/dbraw/zinc/89/56/48/1073895648.db2.gz DHPKWDLQKGVFQI-KRWDZBQOSA-N 1 0 400.483 0.965 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)NCc3ccccc3OCC[NH+](C)C)C2=O)cn1 ZINC000605172968 1073895591 /nfs/dbraw/zinc/89/55/91/1073895591.db2.gz DHPKWDLQKGVFQI-QGZVFWFLSA-N 1 0 400.483 0.965 20 0 HCADRO NC(=O)c1ccc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000605174072 1073896016 /nfs/dbraw/zinc/89/60/16/1073896016.db2.gz KFVARRSDXVHBQE-KRWDZBQOSA-N 1 0 416.526 0.205 20 0 HCADRO NC(=O)c1ccc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000605174073 1073896127 /nfs/dbraw/zinc/89/61/27/1073896127.db2.gz KFVARRSDXVHBQE-QGZVFWFLSA-N 1 0 416.526 0.205 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)C2=O)cn1 ZINC000605174236 1073896659 /nfs/dbraw/zinc/89/66/59/1073896659.db2.gz RCMMZHGWYAKJIZ-GOSISDBHSA-N 1 0 403.531 0.383 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)C2=O)cn1 ZINC000605174237 1073896517 /nfs/dbraw/zinc/89/65/17/1073896517.db2.gz RCMMZHGWYAKJIZ-SFHVURJKSA-N 1 0 403.531 0.383 20 0 HCADRO COCC[N@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000605174396 1073896538 /nfs/dbraw/zinc/89/65/38/1073896538.db2.gz ZXCXQDYASRUESW-UHFFFAOYSA-N 1 0 412.556 0.858 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000605175164 1073896091 /nfs/dbraw/zinc/89/60/91/1073896091.db2.gz GGMMNTALZDHYOB-IBGZPJMESA-N 1 0 423.583 0.526 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000605175165 1073895968 /nfs/dbraw/zinc/89/59/68/1073895968.db2.gz GGMMNTALZDHYOB-LJQANCHMSA-N 1 0 423.583 0.526 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1 ZINC000605176070 1073896635 /nfs/dbraw/zinc/89/66/35/1073896635.db2.gz UASGIHRADGFYBQ-BPQIPLTHSA-N 1 0 406.531 0.962 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1 ZINC000605176071 1073896493 /nfs/dbraw/zinc/89/64/93/1073896493.db2.gz UASGIHRADGFYBQ-NJAFHUGGSA-N 1 0 406.531 0.962 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000605176072 1073896582 /nfs/dbraw/zinc/89/65/82/1073896582.db2.gz UASGIHRADGFYBQ-RYQLBKOJSA-N 1 0 406.531 0.962 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000605176073 1073896680 /nfs/dbraw/zinc/89/66/80/1073896680.db2.gz UASGIHRADGFYBQ-SZMVWBNQSA-N 1 0 406.531 0.962 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000605176685 1073897496 /nfs/dbraw/zinc/89/74/96/1073897496.db2.gz PAUHTQMQCPUOPG-MOPGFXCFSA-N 1 0 403.575 0.527 20 0 HCADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000605176686 1073897574 /nfs/dbraw/zinc/89/75/74/1073897574.db2.gz PAUHTQMQCPUOPG-OALUTQOASA-N 1 0 403.575 0.527 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000605176687 1073897639 /nfs/dbraw/zinc/89/76/39/1073897639.db2.gz PAUHTQMQCPUOPG-RBUKOAKNSA-N 1 0 403.575 0.527 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000605176688 1073897519 /nfs/dbraw/zinc/89/75/19/1073897519.db2.gz PAUHTQMQCPUOPG-RTBURBONSA-N 1 0 403.575 0.527 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000605176726 1073897044 /nfs/dbraw/zinc/89/70/44/1073897044.db2.gz QGIZLEULCKJHMC-MSOLQXFVSA-N 1 0 417.558 0.231 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000605176727 1073897109 /nfs/dbraw/zinc/89/71/09/1073897109.db2.gz QGIZLEULCKJHMC-QZTJIDSGSA-N 1 0 417.558 0.231 20 0 HCADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000605176728 1073897001 /nfs/dbraw/zinc/89/70/01/1073897001.db2.gz QGIZLEULCKJHMC-ROUUACIJSA-N 1 0 417.558 0.231 20 0 HCADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000605176729 1073897093 /nfs/dbraw/zinc/89/70/93/1073897093.db2.gz QGIZLEULCKJHMC-ZWKOTPCHSA-N 1 0 417.558 0.231 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000605180145 1073898452 /nfs/dbraw/zinc/89/84/52/1073898452.db2.gz MQAFXSZABHVFJS-IBGZPJMESA-N 1 0 408.568 0.902 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000605180146 1073898521 /nfs/dbraw/zinc/89/85/21/1073898521.db2.gz MQAFXSZABHVFJS-LJQANCHMSA-N 1 0 408.568 0.902 20 0 HCADRO C[C@](CO)([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000605186935 1073909667 /nfs/dbraw/zinc/90/96/67/1073909667.db2.gz DEKVNFWOYOJKKG-CMKODMSKSA-N 1 0 410.536 0.678 20 0 HCADRO C[C@](CO)([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000605186936 1073909542 /nfs/dbraw/zinc/90/95/42/1073909542.db2.gz DEKVNFWOYOJKKG-NLWGTHIKSA-N 1 0 410.536 0.678 20 0 HCADRO C[C@](CO)([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000605186937 1073909803 /nfs/dbraw/zinc/90/98/03/1073909803.db2.gz DEKVNFWOYOJKKG-QWFCFKBJSA-N 1 0 410.536 0.678 20 0 HCADRO C[C@](CO)([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000605186938 1073909695 /nfs/dbraw/zinc/90/96/95/1073909695.db2.gz DEKVNFWOYOJKKG-WSTZPKSXSA-N 1 0 410.536 0.678 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000605208116 1073903392 /nfs/dbraw/zinc/90/33/92/1073903392.db2.gz IIPWEJLDBBWESZ-HNNXBMFYSA-N 1 0 411.528 0.445 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000605208117 1073903197 /nfs/dbraw/zinc/90/31/97/1073903197.db2.gz IIPWEJLDBBWESZ-OAHLLOKOSA-N 1 0 411.528 0.445 20 0 HCADRO COc1ccc([C@@H](CNC(=O)N2CCO[C@@H](CNC(C)=O)C2)[NH+](C)C)cc1OC ZINC000605214185 1073904043 /nfs/dbraw/zinc/90/40/43/1073904043.db2.gz ANWSQOIFGKINKT-DLBZAZTESA-N 1 0 408.499 0.853 20 0 HCADRO COc1ccc([C@@H](CNC(=O)N2CCO[C@H](CNC(C)=O)C2)[NH+](C)C)cc1OC ZINC000605214186 1073904110 /nfs/dbraw/zinc/90/41/10/1073904110.db2.gz ANWSQOIFGKINKT-IAGOWNOFSA-N 1 0 408.499 0.853 20 0 HCADRO COc1ccc([C@H](CNC(=O)N2CCO[C@@H](CNC(C)=O)C2)[NH+](C)C)cc1OC ZINC000605214187 1073904011 /nfs/dbraw/zinc/90/40/11/1073904011.db2.gz ANWSQOIFGKINKT-IRXDYDNUSA-N 1 0 408.499 0.853 20 0 HCADRO COc1ccc([C@H](CNC(=O)N2CCO[C@H](CNC(C)=O)C2)[NH+](C)C)cc1OC ZINC000605214188 1073904086 /nfs/dbraw/zinc/90/40/86/1073904086.db2.gz ANWSQOIFGKINKT-SJORKVTESA-N 1 0 408.499 0.853 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C2=O)cn1 ZINC000605214297 1073904868 /nfs/dbraw/zinc/90/48/68/1073904868.db2.gz FWZAEDLGWFIHOO-KRWDZBQOSA-N 1 0 404.515 0.860 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C2=O)cn1 ZINC000605214298 1073904797 /nfs/dbraw/zinc/90/47/97/1073904797.db2.gz FWZAEDLGWFIHOO-QGZVFWFLSA-N 1 0 404.515 0.860 20 0 HCADRO CC(=O)NC[C@H]1CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000605215220 1073904725 /nfs/dbraw/zinc/90/47/25/1073904725.db2.gz SCXCKGPPJRWONI-FQEVSTJZSA-N 1 0 403.527 0.351 20 0 HCADRO CC(=O)NC[C@@H]1CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000605215221 1073904958 /nfs/dbraw/zinc/90/49/58/1073904958.db2.gz SCXCKGPPJRWONI-HXUWFJFHSA-N 1 0 403.527 0.351 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC000605215579 1073904644 /nfs/dbraw/zinc/90/46/44/1073904644.db2.gz JQWBGSACNYIPLY-IBGZPJMESA-N 1 0 403.527 0.974 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC000605215580 1073904759 /nfs/dbraw/zinc/90/47/59/1073904759.db2.gz JQWBGSACNYIPLY-LJQANCHMSA-N 1 0 403.527 0.974 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000605217099 1073904894 /nfs/dbraw/zinc/90/48/94/1073904894.db2.gz ABWUKGCQIZDCIR-UHFFFAOYSA-N 1 0 402.543 0.643 20 0 HCADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000605217494 1073906160 /nfs/dbraw/zinc/90/61/60/1073906160.db2.gz WBWMNSRNCFLYRR-IBGZPJMESA-N 1 0 417.602 0.917 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000605217495 1073906290 /nfs/dbraw/zinc/90/62/90/1073906290.db2.gz WBWMNSRNCFLYRR-LJQANCHMSA-N 1 0 417.602 0.917 20 0 HCADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000605218022 1073905555 /nfs/dbraw/zinc/90/55/55/1073905555.db2.gz ZMXVNVGSUNZNHA-IBGZPJMESA-N 1 0 417.602 0.917 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000605218023 1073905470 /nfs/dbraw/zinc/90/54/70/1073905470.db2.gz ZMXVNVGSUNZNHA-LJQANCHMSA-N 1 0 417.602 0.917 20 0 HCADRO CC(=O)NC[C@H]1CN(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CCO1 ZINC000605218122 1073905578 /nfs/dbraw/zinc/90/55/78/1073905578.db2.gz GJGTXMHECBBWGB-FQEVSTJZSA-N 1 0 403.527 0.481 20 0 HCADRO CC(=O)NC[C@@H]1CN(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CCO1 ZINC000605218123 1073905406 /nfs/dbraw/zinc/90/54/06/1073905406.db2.gz GJGTXMHECBBWGB-HXUWFJFHSA-N 1 0 403.527 0.481 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H](CNC(C)=O)C3)cc2)CC1 ZINC000605218690 1073906225 /nfs/dbraw/zinc/90/62/25/1073906225.db2.gz KZXWGRBDUCADQK-NRFANRHFSA-N 1 0 417.554 0.871 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC000605218967 1073906059 /nfs/dbraw/zinc/90/60/59/1073906059.db2.gz XQMCMFBSQBRZLT-NRFANRHFSA-N 1 0 417.554 0.871 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC000605218968 1073906268 /nfs/dbraw/zinc/90/62/68/1073906268.db2.gz XQMCMFBSQBRZLT-OAQYLSRUSA-N 1 0 417.554 0.871 20 0 HCADRO CC(=O)NC[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000605219383 1073906960 /nfs/dbraw/zinc/90/69/60/1073906960.db2.gz OBBOXGMVOQWSPL-FQEVSTJZSA-N 1 0 403.527 0.745 20 0 HCADRO CC(=O)NC[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000605219384 1073906934 /nfs/dbraw/zinc/90/69/34/1073906934.db2.gz OBBOXGMVOQWSPL-HXUWFJFHSA-N 1 0 403.527 0.745 20 0 HCADRO CC(=O)NC[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCO1 ZINC000605227575 1073937640 /nfs/dbraw/zinc/93/76/40/1073937640.db2.gz QBTAFVUGRYLNFF-FQEVSTJZSA-N 1 0 404.511 0.690 20 0 HCADRO CC(=O)NC[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCO1 ZINC000605227576 1073937510 /nfs/dbraw/zinc/93/75/10/1073937510.db2.gz QBTAFVUGRYLNFF-HXUWFJFHSA-N 1 0 404.511 0.690 20 0 HCADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)C2)CC1 ZINC000605229461 1073937361 /nfs/dbraw/zinc/93/73/61/1073937361.db2.gz BTDBPPYAQOGHNZ-GOSISDBHSA-N 1 0 414.554 0.786 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)C2)CC1 ZINC000605229462 1073937213 /nfs/dbraw/zinc/93/72/13/1073937213.db2.gz BTDBPPYAQOGHNZ-SFHVURJKSA-N 1 0 414.554 0.786 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)NCc1cccc(-n2cncn2)c1 ZINC000605229666 1073937261 /nfs/dbraw/zinc/93/72/61/1073937261.db2.gz LGDQJOHRLHJPSZ-UHFFFAOYSA-N 1 0 401.515 0.457 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000605231380 1073939513 /nfs/dbraw/zinc/93/95/13/1073939513.db2.gz QSLQKZDOEOZDKH-AEFFLSMTSA-N 1 0 403.531 0.337 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000605231381 1073939729 /nfs/dbraw/zinc/93/97/29/1073939729.db2.gz QSLQKZDOEOZDKH-FUHWJXTLSA-N 1 0 403.531 0.337 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000605231382 1073940623 /nfs/dbraw/zinc/94/06/23/1073940623.db2.gz QSLQKZDOEOZDKH-SJLPKXTDSA-N 1 0 403.531 0.337 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000605231383 1073940300 /nfs/dbraw/zinc/94/03/00/1073940300.db2.gz QSLQKZDOEOZDKH-WMZOPIPTSA-N 1 0 403.531 0.337 20 0 HCADRO COCCNS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000605233457 1073941216 /nfs/dbraw/zinc/94/12/16/1073941216.db2.gz LHSTZRNKARGOKE-KRWDZBQOSA-N 1 0 410.540 0.895 20 0 HCADRO COCCNS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000605233458 1073941060 /nfs/dbraw/zinc/94/10/60/1073941060.db2.gz LHSTZRNKARGOKE-QGZVFWFLSA-N 1 0 410.540 0.895 20 0 HCADRO COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000605233481 1073941247 /nfs/dbraw/zinc/94/12/47/1073941247.db2.gz LUQWRFKUOYZJSR-KRWDZBQOSA-N 1 0 410.540 0.991 20 0 HCADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000605233674 1073940894 /nfs/dbraw/zinc/94/08/94/1073940894.db2.gz VPSUFRABQYSMFL-PMACEKPBSA-N 1 0 418.586 0.984 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000605233675 1073941329 /nfs/dbraw/zinc/94/13/29/1073941329.db2.gz VPSUFRABQYSMFL-UXHICEINSA-N 1 0 418.586 0.984 20 0 HCADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000605233676 1073941421 /nfs/dbraw/zinc/94/14/21/1073941421.db2.gz VPSUFRABQYSMFL-VQTJNVASSA-N 1 0 418.586 0.984 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000605233677 1073941022 /nfs/dbraw/zinc/94/10/22/1073941022.db2.gz VPSUFRABQYSMFL-WOJBJXKFSA-N 1 0 418.586 0.984 20 0 HCADRO COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000605233685 1073941272 /nfs/dbraw/zinc/94/12/72/1073941272.db2.gz WBYCQCSRFRQXLJ-UHFFFAOYSA-N 1 0 410.540 0.849 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000605233693 1073940977 /nfs/dbraw/zinc/94/09/77/1073940977.db2.gz WLYVWGKCRBNQJT-AABGKKOBSA-N 1 0 416.570 0.833 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000605233694 1073941128 /nfs/dbraw/zinc/94/11/28/1073941128.db2.gz WLYVWGKCRBNQJT-AQNXPRMDSA-N 1 0 416.570 0.833 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000605233695 1073941371 /nfs/dbraw/zinc/94/13/71/1073941371.db2.gz WLYVWGKCRBNQJT-HSALFYBXSA-N 1 0 416.570 0.833 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000605233696 1073941182 /nfs/dbraw/zinc/94/11/82/1073941182.db2.gz WLYVWGKCRBNQJT-VAMGGRTRSA-N 1 0 416.570 0.833 20 0 HCADRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)c2ccccc2)CC1 ZINC000605238748 1073911600 /nfs/dbraw/zinc/91/16/00/1073911600.db2.gz RRPRBAYUTNJGGP-SFHVURJKSA-N 1 0 412.494 0.896 20 0 HCADRO C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000605239408 1073912675 /nfs/dbraw/zinc/91/26/75/1073912675.db2.gz SZJFFECBWYGZKR-KBPBESRZSA-N 1 0 412.512 0.101 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000605239409 1073912491 /nfs/dbraw/zinc/91/24/91/1073912491.db2.gz SZJFFECBWYGZKR-OKILXGFUSA-N 1 0 412.512 0.101 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000605239410 1073912534 /nfs/dbraw/zinc/91/25/34/1073912534.db2.gz SZJFFECBWYGZKR-ZIAGYGMSSA-N 1 0 412.512 0.101 20 0 HCADRO C[NH+](C)CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000605239416 1073912685 /nfs/dbraw/zinc/91/26/85/1073912685.db2.gz VDTHAHKXWXAOAV-UHFFFAOYSA-N 1 0 408.524 0.428 20 0 HCADRO COc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000605239421 1073912612 /nfs/dbraw/zinc/91/26/12/1073912612.db2.gz WRVPIKLJAZWIJM-UHFFFAOYSA-N 1 0 412.512 0.486 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000605239452 1073912460 /nfs/dbraw/zinc/91/24/60/1073912460.db2.gz GGIACBPBSHNHAM-UHFFFAOYSA-N 1 0 414.528 0.732 20 0 HCADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000605239468 1073912763 /nfs/dbraw/zinc/91/27/63/1073912763.db2.gz JARKTJVICDNPCB-UHFFFAOYSA-N 1 0 402.904 0.741 20 0 HCADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)C1 ZINC000605239469 1073912548 /nfs/dbraw/zinc/91/25/48/1073912548.db2.gz JDEKCSZTDGFQED-GASCZTMLSA-N 1 0 410.540 0.970 20 0 HCADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)C1 ZINC000605239471 1073913635 /nfs/dbraw/zinc/91/36/35/1073913635.db2.gz JDEKCSZTDGFQED-HUUCEWRRSA-N 1 0 410.540 0.970 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000605239501 1073912700 /nfs/dbraw/zinc/91/27/00/1073912700.db2.gz QMDVRJJNKFJQFI-UHFFFAOYSA-N 1 0 412.512 0.486 20 0 HCADRO CCOc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1S(=O)(=O)N1CCCC1 ZINC000605239532 1073912558 /nfs/dbraw/zinc/91/25/58/1073912558.db2.gz XWTATPXSEMNDKA-UHFFFAOYSA-N 1 0 412.512 0.486 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[NH+](CC)CC)cc2)CC1 ZINC000605239551 1073912643 /nfs/dbraw/zinc/91/26/43/1073912643.db2.gz CIAJXMDIFQOAAX-UHFFFAOYSA-N 1 0 403.527 0.861 20 0 HCADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000605239687 1073912524 /nfs/dbraw/zinc/91/25/24/1073912524.db2.gz WOJVGAZLZVMGQK-UHFFFAOYSA-N 1 0 409.512 0.554 20 0 HCADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000605239732 1073912485 /nfs/dbraw/zinc/91/24/85/1073912485.db2.gz DCNFGRZHHZPEJI-UHFFFAOYSA-N 1 0 412.512 0.104 20 0 HCADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC ZINC000605239798 1073912662 /nfs/dbraw/zinc/91/26/62/1073912662.db2.gz PNABQZBQNJCUBZ-UHFFFAOYSA-N 1 0 419.526 0.479 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000605239895 1073912630 /nfs/dbraw/zinc/91/26/30/1073912630.db2.gz CVHKIOVOODDIGH-HNNXBMFYSA-N 1 0 421.523 0.696 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000605239896 1073912502 /nfs/dbraw/zinc/91/25/02/1073912502.db2.gz CVHKIOVOODDIGH-OAHLLOKOSA-N 1 0 421.523 0.696 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000605239914 1073912721 /nfs/dbraw/zinc/91/27/21/1073912721.db2.gz FMRVQBJRYCIRPT-AWEZNQCLSA-N 1 0 412.487 0.905 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000605239915 1073912581 /nfs/dbraw/zinc/91/25/81/1073912581.db2.gz FMRVQBJRYCIRPT-CQSZACIVSA-N 1 0 412.487 0.905 20 0 HCADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000605239916 1073912475 /nfs/dbraw/zinc/91/24/75/1073912475.db2.gz FZUNTSOITLLQLN-UHFFFAOYSA-N 1 0 404.920 0.987 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000605240018 1073911921 /nfs/dbraw/zinc/91/19/21/1073911921.db2.gz OWJYXTVXTHCFQR-GOSISDBHSA-N 1 0 402.495 0.627 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000605240019 1073911630 /nfs/dbraw/zinc/91/16/30/1073911630.db2.gz OWJYXTVXTHCFQR-SFHVURJKSA-N 1 0 402.495 0.627 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000605240026 1073911685 /nfs/dbraw/zinc/91/16/85/1073911685.db2.gz PDPFCMFJXLJHJQ-KRWDZBQOSA-N 1 0 408.524 0.460 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000605240027 1073911780 /nfs/dbraw/zinc/91/17/80/1073911780.db2.gz PDPFCMFJXLJHJQ-QGZVFWFLSA-N 1 0 408.524 0.460 20 0 HCADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 ZINC000605240101 1073911836 /nfs/dbraw/zinc/91/18/36/1073911836.db2.gz VYCXAQNHDHAENP-AWEZNQCLSA-N 1 0 401.471 0.874 20 0 HCADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 ZINC000605240102 1073911720 /nfs/dbraw/zinc/91/17/20/1073911720.db2.gz VYCXAQNHDHAENP-CQSZACIVSA-N 1 0 401.471 0.874 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000605240143 1073911852 /nfs/dbraw/zinc/91/18/52/1073911852.db2.gz ZSJVRQXCQVABTL-INIZCTEOSA-N 1 0 424.523 0.247 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000605240144 1073911811 /nfs/dbraw/zinc/91/18/11/1073911811.db2.gz ZSJVRQXCQVABTL-MRXNPFEDSA-N 1 0 424.523 0.247 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000605240239 1073913521 /nfs/dbraw/zinc/91/35/21/1073913521.db2.gz IGGKTQFMMPIRDF-INIZCTEOSA-N 1 0 401.511 0.927 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000605240240 1073913611 /nfs/dbraw/zinc/91/36/11/1073913611.db2.gz IGGKTQFMMPIRDF-MRXNPFEDSA-N 1 0 401.511 0.927 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000605240251 1073913314 /nfs/dbraw/zinc/91/33/14/1073913314.db2.gz JDEWHLNNLBVPAR-CYBMUJFWSA-N 1 0 412.512 0.485 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000605240252 1073913389 /nfs/dbraw/zinc/91/33/89/1073913389.db2.gz JDEWHLNNLBVPAR-ZDUSSCGKSA-N 1 0 412.512 0.485 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC ZINC000605240269 1073913271 /nfs/dbraw/zinc/91/32/71/1073913271.db2.gz KPPLMIRMHNGALC-AWEZNQCLSA-N 1 0 424.523 0.675 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC ZINC000605240270 1073913230 /nfs/dbraw/zinc/91/32/30/1073913230.db2.gz KPPLMIRMHNGALC-CQSZACIVSA-N 1 0 424.523 0.675 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000605240343 1073913555 /nfs/dbraw/zinc/91/35/55/1073913555.db2.gz PXXKNCFFDXWNLQ-AWEZNQCLSA-N 1 0 412.487 0.905 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000605240344 1073913494 /nfs/dbraw/zinc/91/34/94/1073913494.db2.gz PXXKNCFFDXWNLQ-CQSZACIVSA-N 1 0 412.487 0.905 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC ZINC000605240381 1073914270 /nfs/dbraw/zinc/91/42/70/1073914270.db2.gz SGEAUNHBEUGCII-INIZCTEOSA-N 1 0 418.494 0.707 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC ZINC000605240382 1073914443 /nfs/dbraw/zinc/91/44/43/1073914443.db2.gz SGEAUNHBEUGCII-MRXNPFEDSA-N 1 0 418.494 0.707 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000605240398 1073914207 /nfs/dbraw/zinc/91/42/07/1073914207.db2.gz UDBSFMXMOHEQTK-MRXNPFEDSA-N 1 0 401.511 0.613 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000605240413 1073914300 /nfs/dbraw/zinc/91/43/00/1073914300.db2.gz WIBJWOABXDXQEW-GOSISDBHSA-N 1 0 401.511 0.613 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000605240414 1073914101 /nfs/dbraw/zinc/91/41/01/1073914101.db2.gz WIBJWOABXDXQEW-SFHVURJKSA-N 1 0 401.511 0.613 20 0 HCADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000605240458 1073914344 /nfs/dbraw/zinc/91/43/44/1073914344.db2.gz BLLCDBNYRGFLFD-INIZCTEOSA-N 1 0 409.508 0.790 20 0 HCADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000605240459 1073914625 /nfs/dbraw/zinc/91/46/25/1073914625.db2.gz BLLCDBNYRGFLFD-MRXNPFEDSA-N 1 0 409.508 0.790 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCC[NH+]1CCCC1 ZINC000605240491 1073914581 /nfs/dbraw/zinc/91/45/81/1073914581.db2.gz FILVJGPZXNPQIH-UHFFFAOYSA-N 1 0 422.551 0.818 20 0 HCADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000605240546 1073914362 /nfs/dbraw/zinc/91/43/62/1073914362.db2.gz KDYCVDRZJMWRLY-UHFFFAOYSA-N 1 0 410.496 0.286 20 0 HCADRO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1OCC(=O)NC1CC1 ZINC000605240557 1073914562 /nfs/dbraw/zinc/91/45/62/1073914562.db2.gz LPQHPKCZCLBQJC-UHFFFAOYSA-N 1 0 404.467 0.503 20 0 HCADRO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000605240597 1073914382 /nfs/dbraw/zinc/91/43/82/1073914382.db2.gz PXRDTKCFYCVMPG-UHFFFAOYSA-N 1 0 417.510 0.233 20 0 HCADRO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1 ZINC000605240602 1073914482 /nfs/dbraw/zinc/91/44/82/1073914482.db2.gz QJIGKULHEDCMEE-AWEZNQCLSA-N 1 0 412.512 0.150 20 0 HCADRO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1 ZINC000605240603 1073914176 /nfs/dbraw/zinc/91/41/76/1073914176.db2.gz QJIGKULHEDCMEE-CQSZACIVSA-N 1 0 412.512 0.150 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000605240633 1073914596 /nfs/dbraw/zinc/91/45/96/1073914596.db2.gz TWLQYIQSOHIHSQ-UHFFFAOYSA-N 1 0 401.511 0.615 20 0 HCADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000605240654 1073913185 /nfs/dbraw/zinc/91/31/85/1073913185.db2.gz WOJSZJSDGROVGK-UHFFFAOYSA-N 1 0 407.496 0.308 20 0 HCADRO CCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1S(=O)(=O)N(C)C ZINC000605240660 1073913444 /nfs/dbraw/zinc/91/34/44/1073913444.db2.gz XDRMJLXNNVAYRC-UHFFFAOYSA-N 1 0 412.512 0.486 20 0 HCADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000605240666 1073913154 /nfs/dbraw/zinc/91/31/54/1073913154.db2.gz XXDYICOOZWOXIM-UHFFFAOYSA-N 1 0 401.511 0.154 20 0 HCADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000605240746 1073913472 /nfs/dbraw/zinc/91/34/72/1073913472.db2.gz GRYHHFRUQYVEIF-UHFFFAOYSA-N 1 0 408.462 0.695 20 0 HCADRO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000605240756 1073914407 /nfs/dbraw/zinc/91/44/07/1073914407.db2.gz HIEHNTHJKDVKMT-UHFFFAOYSA-N 1 0 411.528 0.153 20 0 HCADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000605240766 1073914463 /nfs/dbraw/zinc/91/44/63/1073914463.db2.gz IVURXQSADPCFCK-UHFFFAOYSA-N 1 0 414.510 0.291 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCC[NH+]2CCCC2)ccc1Cl ZINC000605240785 1073914511 /nfs/dbraw/zinc/91/45/11/1073914511.db2.gz KKHSNEATGSIUHH-UHFFFAOYSA-N 1 0 402.904 0.741 20 0 HCADRO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000605240866 1073913651 /nfs/dbraw/zinc/91/36/51/1073913651.db2.gz TYBXDHMQTKZUHA-UHFFFAOYSA-N 1 0 404.467 0.318 20 0 HCADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000605240890 1073913361 /nfs/dbraw/zinc/91/33/61/1073913361.db2.gz WJAHOQPOUYQVCK-UHFFFAOYSA-N 1 0 408.886 0.963 20 0 HCADRO O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1 ZINC000605240891 1073913680 /nfs/dbraw/zinc/91/36/80/1073913680.db2.gz WOBRWLWFNRMWRG-UHFFFAOYSA-N 1 0 403.483 0.108 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000605240919 1073913205 /nfs/dbraw/zinc/91/32/05/1073913205.db2.gz YNEOUYXMIINIHJ-UHFFFAOYSA-N 1 0 424.523 0.166 20 0 HCADRO O=C(Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1)N1CCSCC1 ZINC000605240930 1073913592 /nfs/dbraw/zinc/91/35/92/1073913592.db2.gz ZOXRZQORCUCBBR-UHFFFAOYSA-N 1 0 404.536 0.955 20 0 HCADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[NH+](C)C ZINC000605241101 1073913670 /nfs/dbraw/zinc/91/36/70/1073913670.db2.gz ITULDZHACFAEHP-INIZCTEOSA-N 1 0 404.515 0.439 20 0 HCADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[NH+](C)C ZINC000605241102 1073913577 /nfs/dbraw/zinc/91/35/77/1073913577.db2.gz ITULDZHACFAEHP-MRXNPFEDSA-N 1 0 404.515 0.439 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C1CCCCC1 ZINC000605241543 1073915791 /nfs/dbraw/zinc/91/57/91/1073915791.db2.gz PDFKQUFRGWIMTN-UHFFFAOYSA-N 1 0 402.499 0.337 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCCC2)c2ccccc2O1 ZINC000605241545 1073915959 /nfs/dbraw/zinc/91/59/59/1073915959.db2.gz PEFDOKXTXUEEPU-GOSISDBHSA-N 1 0 402.495 0.907 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCCC2)c2ccccc2O1 ZINC000605241546 1073915906 /nfs/dbraw/zinc/91/59/06/1073915906.db2.gz PEFDOKXTXUEEPU-SFHVURJKSA-N 1 0 402.495 0.907 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)C1CCCCC1 ZINC000605241638 1073915882 /nfs/dbraw/zinc/91/58/82/1073915882.db2.gz XXSWTSPENGBWTB-UHFFFAOYSA-N 1 0 403.483 0.221 20 0 HCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000605241699 1073915253 /nfs/dbraw/zinc/91/52/53/1073915253.db2.gz CWYNTUWOXDYBRA-KRWDZBQOSA-N 1 0 408.524 0.864 20 0 HCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000605241700 1073915270 /nfs/dbraw/zinc/91/52/70/1073915270.db2.gz CWYNTUWOXDYBRA-QGZVFWFLSA-N 1 0 408.524 0.864 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)C1CC1 ZINC000605241711 1073915212 /nfs/dbraw/zinc/91/52/12/1073915212.db2.gz DRJDLKJJYVOSTG-GOSISDBHSA-N 1 0 402.495 0.483 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)C1CC1 ZINC000605241712 1073915073 /nfs/dbraw/zinc/91/50/73/1073915073.db2.gz DRJDLKJJYVOSTG-SFHVURJKSA-N 1 0 402.495 0.483 20 0 HCADRO COc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)cc1OCC(N)=O ZINC000605241724 1073915752 /nfs/dbraw/zinc/91/57/52/1073915752.db2.gz FTNPVAVQDUUFJY-UHFFFAOYSA-N 1 0 406.483 0.879 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2)CC1 ZINC000605241932 1073915160 /nfs/dbraw/zinc/91/51/60/1073915160.db2.gz XHOVROMMKWPMAR-IBGZPJMESA-N 1 0 415.538 0.859 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)cc2)CC1 ZINC000605241933 1073915333 /nfs/dbraw/zinc/91/53/33/1073915333.db2.gz XHOVROMMKWPMAR-LJQANCHMSA-N 1 0 415.538 0.859 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)C1CC1 ZINC000605242003 1073915224 /nfs/dbraw/zinc/91/52/24/1073915224.db2.gz CEFWZSZBFPCSMK-GOSISDBHSA-N 1 0 401.511 0.783 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)C1CC1 ZINC000605242004 1073915201 /nfs/dbraw/zinc/91/52/01/1073915201.db2.gz CEFWZSZBFPCSMK-SFHVURJKSA-N 1 0 401.511 0.783 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)C1CC1 ZINC000605242025 1073915127 /nfs/dbraw/zinc/91/51/27/1073915127.db2.gz DFIBUJSSNLTBJL-KRWDZBQOSA-N 1 0 408.524 0.316 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)C1CC1 ZINC000605242026 1073915036 /nfs/dbraw/zinc/91/50/36/1073915036.db2.gz DFIBUJSSNLTBJL-QGZVFWFLSA-N 1 0 408.524 0.316 20 0 HCADRO CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)CC1 ZINC000605242077 1073915096 /nfs/dbraw/zinc/91/50/96/1073915096.db2.gz HJNJNWASKFEJGT-GOSISDBHSA-N 1 0 401.511 0.469 20 0 HCADRO CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000605242078 1073915309 /nfs/dbraw/zinc/91/53/09/1073915309.db2.gz HJNJNWASKFEJGT-SFHVURJKSA-N 1 0 401.511 0.469 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CC1 ZINC000605242113 1073915058 /nfs/dbraw/zinc/91/50/58/1073915058.db2.gz JDNANIXENWWVGE-INIZCTEOSA-N 1 0 421.523 0.552 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CC1 ZINC000605242114 1073914646 /nfs/dbraw/zinc/91/46/46/1073914646.db2.gz JDNANIXENWWVGE-MRXNPFEDSA-N 1 0 421.523 0.552 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)C1CC1 ZINC000605242165 1073914426 /nfs/dbraw/zinc/91/44/26/1073914426.db2.gz MIBOVYUFWTXNGC-INIZCTEOSA-N 1 0 412.487 0.761 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)C1CC1 ZINC000605242166 1073915361 /nfs/dbraw/zinc/91/53/61/1073915361.db2.gz MIBOVYUFWTXNGC-MRXNPFEDSA-N 1 0 412.487 0.761 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)C1CC1 ZINC000605242189 1073915143 /nfs/dbraw/zinc/91/51/43/1073915143.db2.gz OAGYMVSTKYGSGD-GOSISDBHSA-N 1 0 422.489 0.939 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)C1CC1 ZINC000605242190 1073915186 /nfs/dbraw/zinc/91/51/86/1073915186.db2.gz OAGYMVSTKYGSGD-SFHVURJKSA-N 1 0 422.489 0.939 20 0 HCADRO Cc1c(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cccc1C(=O)N1CCOCC1 ZINC000605242227 1073915295 /nfs/dbraw/zinc/91/52/95/1073915295.db2.gz QLDJOGKTTOYMRZ-GOSISDBHSA-N 1 0 402.495 0.862 20 0 HCADRO Cc1c(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cccc1C(=O)N1CCOCC1 ZINC000605242228 1073915009 /nfs/dbraw/zinc/91/50/09/1073915009.db2.gz QLDJOGKTTOYMRZ-SFHVURJKSA-N 1 0 402.495 0.862 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1 ZINC000605242244 1073915940 /nfs/dbraw/zinc/91/59/40/1073915940.db2.gz RBWAQKKAISQDJE-QGZVFWFLSA-N 1 0 408.524 0.866 20 0 HCADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)c2ccccc2O1 ZINC000605242285 1073917036 /nfs/dbraw/zinc/91/70/36/1073917036.db2.gz UBDVLYAKTJVGNN-AEFFLSMTSA-N 1 0 402.495 0.763 20 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C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)C1CC1 ZINC000605242479 1073917061 /nfs/dbraw/zinc/91/70/61/1073917061.db2.gz HPFBPRSODVYJTF-GOSISDBHSA-N 1 0 417.510 0.352 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)C1CC1 ZINC000605242480 1073917068 /nfs/dbraw/zinc/91/70/68/1073917068.db2.gz HPFBPRSODVYJTF-SFHVURJKSA-N 1 0 417.510 0.352 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C1CC1 ZINC000605242664 1073916432 /nfs/dbraw/zinc/91/64/32/1073916432.db2.gz SGVCIGZYRRNUFQ-INIZCTEOSA-N 1 0 412.487 0.761 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C1CC1 ZINC000605242665 1073917090 /nfs/dbraw/zinc/91/70/90/1073917090.db2.gz SGVCIGZYRRNUFQ-MRXNPFEDSA-N 1 0 412.487 0.761 20 0 HCADRO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000605242778 1073916485 /nfs/dbraw/zinc/91/64/85/1073916485.db2.gz YNDNSVZZQFXCBJ-KRWDZBQOSA-N 1 0 418.494 0.563 20 0 HCADRO 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KBSKHSGKPNWFAJ-GOSISDBHSA-N 1 0 402.495 0.975 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000605248387 1073925605 /nfs/dbraw/zinc/92/56/05/1073925605.db2.gz KIDCJTHIHRTPPU-KRWDZBQOSA-N 1 0 413.478 0.817 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000605248388 1073925286 /nfs/dbraw/zinc/92/52/86/1073925286.db2.gz KIDCJTHIHRTPPU-QGZVFWFLSA-N 1 0 413.478 0.817 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 ZINC000605248391 1073925367 /nfs/dbraw/zinc/92/53/67/1073925367.db2.gz KOBWQGJUHYKOKA-INIZCTEOSA-N 1 0 406.483 0.319 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 ZINC000605248392 1073924785 /nfs/dbraw/zinc/92/47/85/1073924785.db2.gz KOBWQGJUHYKOKA-MRXNPFEDSA-N 1 0 406.483 0.319 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000605248411 1073924732 /nfs/dbraw/zinc/92/47/32/1073924732.db2.gz LJRRLLOXQOBVBK-GOSISDBHSA-N 1 0 404.511 0.684 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000605248412 1073924454 /nfs/dbraw/zinc/92/44/54/1073924454.db2.gz LJRRLLOXQOBVBK-SFHVURJKSA-N 1 0 404.511 0.684 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000605248429 1073924676 /nfs/dbraw/zinc/92/46/76/1073924676.db2.gz LXEBZHIOQLZCRJ-GOSISDBHSA-N 1 0 404.511 0.997 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000605248430 1073924607 /nfs/dbraw/zinc/92/46/07/1073924607.db2.gz LXEBZHIOQLZCRJ-SFHVURJKSA-N 1 0 404.511 0.997 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000605248475 1073924627 /nfs/dbraw/zinc/92/46/27/1073924627.db2.gz NNQFYXLBQJNLIG-HNNXBMFYSA-N 1 0 412.512 0.102 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000605248476 1073924351 /nfs/dbraw/zinc/92/43/51/1073924351.db2.gz NNQFYXLBQJNLIG-OAHLLOKOSA-N 1 0 412.512 0.102 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 ZINC000605248495 1073924532 /nfs/dbraw/zinc/92/45/32/1073924532.db2.gz OJFDNVWAODHWMO-HNNXBMFYSA-N 1 0 417.470 0.145 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 ZINC000605248496 1073924750 /nfs/dbraw/zinc/92/47/50/1073924750.db2.gz OJFDNVWAODHWMO-OAHLLOKOSA-N 1 0 417.470 0.145 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000605248505 1073924656 /nfs/dbraw/zinc/92/46/56/1073924656.db2.gz OSMPGECIUSOKSU-GOSISDBHSA-N 1 0 402.495 0.975 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000605248506 1073924285 /nfs/dbraw/zinc/92/42/85/1073924285.db2.gz OSMPGECIUSOKSU-SFHVURJKSA-N 1 0 402.495 0.975 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000605248549 1073924234 /nfs/dbraw/zinc/92/42/34/1073924234.db2.gz QXDMUGOHUGWCMK-GFCCVEGCSA-N 1 0 417.915 0.909 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000605248550 1073924406 /nfs/dbraw/zinc/92/44/06/1073924406.db2.gz QXDMUGOHUGWCMK-LBPRGKRZSA-N 1 0 417.915 0.909 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000605248683 1073924769 /nfs/dbraw/zinc/92/47/69/1073924769.db2.gz XJGJBARCCZOPSZ-GOSISDBHSA-N 1 0 418.494 0.325 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000605248709 1073923430 /nfs/dbraw/zinc/92/34/30/1073923430.db2.gz YMSFYAAZBVNLKZ-MSOLQXFVSA-N 1 0 418.494 0.970 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000605248710 1073923372 /nfs/dbraw/zinc/92/33/72/1073923372.db2.gz YMSFYAAZBVNLKZ-QZTJIDSGSA-N 1 0 418.494 0.970 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000605248711 1073923693 /nfs/dbraw/zinc/92/36/93/1073923693.db2.gz YMSFYAAZBVNLKZ-ROUUACIJSA-N 1 0 418.494 0.970 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000605248712 1073924699 /nfs/dbraw/zinc/92/46/99/1073924699.db2.gz YMSFYAAZBVNLKZ-ZWKOTPCHSA-N 1 0 418.494 0.970 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)ccc1C ZINC000605248737 1073924573 /nfs/dbraw/zinc/92/45/73/1073924573.db2.gz ZNMMKSNYXNDKSQ-HNNXBMFYSA-N 1 0 412.512 0.069 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)ccc1C ZINC000605248738 1073924809 /nfs/dbraw/zinc/92/48/09/1073924809.db2.gz ZNMMKSNYXNDKSQ-OAHLLOKOSA-N 1 0 412.512 0.069 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000605249059 1073923329 /nfs/dbraw/zinc/92/33/29/1073923329.db2.gz VFWHHOYXEFZIBV-KRWDZBQOSA-N 1 0 416.478 0.501 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000605249060 1073923735 /nfs/dbraw/zinc/92/37/35/1073923735.db2.gz VFWHHOYXEFZIBV-QGZVFWFLSA-N 1 0 416.478 0.501 20 0 HCADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000605249087 1073923791 /nfs/dbraw/zinc/92/37/91/1073923791.db2.gz WUYZUHDYDARXTN-GOSISDBHSA-N 1 0 422.551 0.851 20 0 HCADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000605249088 1073923469 /nfs/dbraw/zinc/92/34/69/1073923469.db2.gz WUYZUHDYDARXTN-SFHVURJKSA-N 1 0 422.551 0.851 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[N@H+](C)C1CC1 ZINC000605249463 1073926696 /nfs/dbraw/zinc/92/66/96/1073926696.db2.gz FPTIAIPOGASOFN-GFCCVEGCSA-N 1 0 412.487 0.903 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[N@H+](C)C1CC1 ZINC000605249464 1073926661 /nfs/dbraw/zinc/92/66/61/1073926661.db2.gz FPTIAIPOGASOFN-LBPRGKRZSA-N 1 0 412.487 0.903 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+](C)C1CC1 ZINC000605249561 1073926245 /nfs/dbraw/zinc/92/62/45/1073926245.db2.gz OCSMZKYHWVQDMM-AWEZNQCLSA-N 1 0 424.523 0.245 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+](C)C1CC1 ZINC000605249562 1073926421 /nfs/dbraw/zinc/92/64/21/1073926421.db2.gz OCSMZKYHWVQDMM-CQSZACIVSA-N 1 0 424.523 0.245 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[N@H+](C)C1CC1 ZINC000605249587 1073926643 /nfs/dbraw/zinc/92/66/43/1073926643.db2.gz QFYUXHFQAJBRFQ-CYBMUJFWSA-N 1 0 421.523 0.695 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[N@H+](C)C1CC1 ZINC000605249588 1073926168 /nfs/dbraw/zinc/92/61/68/1073926168.db2.gz QFYUXHFQAJBRFQ-ZDUSSCGKSA-N 1 0 421.523 0.695 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[N@H+](C)C1CC1 ZINC000605249703 1073926617 /nfs/dbraw/zinc/92/66/17/1073926617.db2.gz FOLNDYAIGDQDIT-GFCCVEGCSA-N 1 0 412.487 0.903 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[N@H+](C)C1CC1 ZINC000605249704 1073926727 /nfs/dbraw/zinc/92/67/27/1073926727.db2.gz FOLNDYAIGDQDIT-LBPRGKRZSA-N 1 0 412.487 0.903 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)[N@H+](C)C1CC1 ZINC000605249777 1073925215 /nfs/dbraw/zinc/92/52/15/1073925215.db2.gz MHQUVDOAHNCYBT-HNNXBMFYSA-N 1 0 401.511 0.612 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)[N@H+](C)C1CC1 ZINC000605249778 1073926354 /nfs/dbraw/zinc/92/63/54/1073926354.db2.gz MHQUVDOAHNCYBT-OAHLLOKOSA-N 1 0 401.511 0.612 20 0 HCADRO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000605249782 1073926449 /nfs/dbraw/zinc/92/64/49/1073926449.db2.gz MSAVFYDJDGNQQM-AWEZNQCLSA-N 1 0 418.494 0.705 20 0 HCADRO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000605249783 1073926677 /nfs/dbraw/zinc/92/66/77/1073926677.db2.gz MSAVFYDJDGNQQM-CQSZACIVSA-N 1 0 418.494 0.705 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000605249807 1073926483 /nfs/dbraw/zinc/92/64/83/1073926483.db2.gz NWLBBFWHAPIQFS-GFCCVEGCSA-N 1 0 412.512 0.483 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000605249808 1073926581 /nfs/dbraw/zinc/92/65/81/1073926581.db2.gz NWLBBFWHAPIQFS-LBPRGKRZSA-N 1 0 412.512 0.483 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000605249836 1073926200 /nfs/dbraw/zinc/92/62/00/1073926200.db2.gz QYSBDQRCQXGNGE-HNNXBMFYSA-N 1 0 401.511 0.612 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000605249837 1073926547 /nfs/dbraw/zinc/92/65/47/1073926547.db2.gz QYSBDQRCQXGNGE-OAHLLOKOSA-N 1 0 401.511 0.612 20 0 HCADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c2ccccc2O1 ZINC000605249894 1073925704 /nfs/dbraw/zinc/92/57/04/1073925704.db2.gz XEERMBLSPAQRGI-KBXCAEBGSA-N 1 0 402.495 0.906 20 0 HCADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c2ccccc2O1 ZINC000605249895 1073925457 /nfs/dbraw/zinc/92/54/57/1073925457.db2.gz XEERMBLSPAQRGI-KDOFPFPSSA-N 1 0 402.495 0.906 20 0 HCADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c2ccccc2O1 ZINC000605249896 1073925392 /nfs/dbraw/zinc/92/53/92/1073925392.db2.gz XEERMBLSPAQRGI-KSSFIOAISA-N 1 0 402.495 0.906 20 0 HCADRO 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OLNYKYHMKMRYHI-LJQANCHMSA-N 1 0 413.526 0.824 20 0 HCADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)ccc21 ZINC000605306546 1073948207 /nfs/dbraw/zinc/94/82/07/1073948207.db2.gz FUUCPDKXGCZOJZ-HNNXBMFYSA-N 1 0 401.511 0.078 20 0 HCADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)ccc21 ZINC000605306547 1073948114 /nfs/dbraw/zinc/94/81/14/1073948114.db2.gz FUUCPDKXGCZOJZ-OAHLLOKOSA-N 1 0 401.511 0.078 20 0 HCADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCC(OCC[NH+](C)C)CC3)ccc21 ZINC000605306632 1073948230 /nfs/dbraw/zinc/94/82/30/1073948230.db2.gz PFLOFZZPJNKJEM-UHFFFAOYSA-N 1 0 416.522 0.895 20 0 HCADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)NCCCN3CCC[N@@H+](C)CC3)ccc21 ZINC000605306704 1073947200 /nfs/dbraw/zinc/94/72/00/1073947200.db2.gz VNGNGKFNWZBCBG-UHFFFAOYSA-N 1 0 415.538 0.469 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 ZINC000605306739 1073947472 /nfs/dbraw/zinc/94/74/72/1073947472.db2.gz YJADWJSITBAWOG-INIZCTEOSA-N 1 0 415.538 0.468 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 ZINC000605306740 1073947943 /nfs/dbraw/zinc/94/79/43/1073947943.db2.gz YJADWJSITBAWOG-MRXNPFEDSA-N 1 0 415.538 0.468 20 0 HCADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)NCC3([NH+](C)C)CCOCC3)ccc21 ZINC000605307165 1073947356 /nfs/dbraw/zinc/94/73/56/1073947356.db2.gz GJWPXWMNFIEDSF-UHFFFAOYSA-N 1 0 402.495 0.552 20 0 HCADRO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000605308567 1073959930 /nfs/dbraw/zinc/95/99/30/1073959930.db2.gz YLEVOCPGPCDEHS-PMACEKPBSA-N 1 0 413.526 0.288 20 0 HCADRO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000605308568 1073960013 /nfs/dbraw/zinc/96/00/13/1073960013.db2.gz YLEVOCPGPCDEHS-UXHICEINSA-N 1 0 413.526 0.288 20 0 HCADRO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000605308569 1073959842 /nfs/dbraw/zinc/95/98/42/1073959842.db2.gz YLEVOCPGPCDEHS-VQTJNVASSA-N 1 0 413.526 0.288 20 0 HCADRO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 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O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000605322987 1073952710 /nfs/dbraw/zinc/95/27/10/1073952710.db2.gz YKNZHBWHSZMQDD-UHFFFAOYSA-N 1 0 411.450 0.576 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605323583 1073952649 /nfs/dbraw/zinc/95/26/49/1073952649.db2.gz NMEGCJKAYNZKEI-INIZCTEOSA-N 1 0 417.576 0.201 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605323584 1073953285 /nfs/dbraw/zinc/95/32/85/1073953285.db2.gz NMEGCJKAYNZKEI-MRXNPFEDSA-N 1 0 417.576 0.201 20 0 HCADRO CCC[NH+]1CCC(NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000605323991 1073952595 /nfs/dbraw/zinc/95/25/95/1073952595.db2.gz DRFUKONASQWBOD-UHFFFAOYSA-N 1 0 417.576 0.201 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000605325555 1073953076 /nfs/dbraw/zinc/95/30/76/1073953076.db2.gz CRLPUOASHAZOTC-INIZCTEOSA-N 1 0 417.576 0.059 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000605325556 1073953153 /nfs/dbraw/zinc/95/31/53/1073953153.db2.gz CRLPUOASHAZOTC-MRXNPFEDSA-N 1 0 417.576 0.059 20 0 HCADRO CC1CC[NH+](CCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000605325833 1073953171 /nfs/dbraw/zinc/95/31/71/1073953171.db2.gz UAPPNSHOUNVIDF-UHFFFAOYSA-N 1 0 417.576 0.059 20 0 HCADRO CC[N@H+](CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C(C)C ZINC000605327537 1073954247 /nfs/dbraw/zinc/95/42/47/1073954247.db2.gz PRRQFGTUUPCVLD-UHFFFAOYSA-N 1 0 405.565 0.057 20 0 HCADRO C[N@H+](CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CCCC1 ZINC000605327671 1073954226 /nfs/dbraw/zinc/95/42/26/1073954226.db2.gz XTAQXFDLITUGRD-UHFFFAOYSA-N 1 0 417.576 0.201 20 0 HCADRO C[C@H](C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000605335201 1073955850 /nfs/dbraw/zinc/95/58/50/1073955850.db2.gz XPOGKGAQNBTMMA-BZUAXINKSA-N 1 0 402.561 0.405 20 0 HCADRO C[C@@H](C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000605335202 1073955680 /nfs/dbraw/zinc/95/56/80/1073955680.db2.gz XPOGKGAQNBTMMA-OAGGEKHMSA-N 1 0 402.561 0.405 20 0 HCADRO C[C@H](C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000605335203 1073955473 /nfs/dbraw/zinc/95/54/73/1073955473.db2.gz XPOGKGAQNBTMMA-OWCLPIDISA-N 1 0 402.561 0.405 20 0 HCADRO C[C@@H](C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000605335204 1073955444 /nfs/dbraw/zinc/95/54/44/1073955444.db2.gz XPOGKGAQNBTMMA-XHSDSOJGSA-N 1 0 402.561 0.405 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)ccn2)CC1 ZINC000605340136 1073955550 /nfs/dbraw/zinc/95/55/50/1073955550.db2.gz NLVYUQSTEJOMBJ-UHFFFAOYSA-N 1 0 422.486 0.942 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000605340420 1073957061 /nfs/dbraw/zinc/95/70/61/1073957061.db2.gz JXFPURDKTSJJHQ-HNNXBMFYSA-N 1 0 415.491 0.537 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000605340421 1073957199 /nfs/dbraw/zinc/95/71/99/1073957199.db2.gz JXFPURDKTSJJHQ-OAHLLOKOSA-N 1 0 415.491 0.537 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000605340657 1073956924 /nfs/dbraw/zinc/95/69/24/1073956924.db2.gz DGZWWLWVQGJBLC-UHFFFAOYSA-N 1 0 415.491 0.395 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000605341070 1073956600 /nfs/dbraw/zinc/95/66/00/1073956600.db2.gz MKHFCNGFPPNSMU-LLVKDONJSA-N 1 0 401.464 0.182 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000605341071 1073956319 /nfs/dbraw/zinc/95/63/19/1073956319.db2.gz MKHFCNGFPPNSMU-NSHDSACASA-N 1 0 401.464 0.182 20 0 HCADRO NS(=O)(=O)c1cc(F)cc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000605341102 1073956211 /nfs/dbraw/zinc/95/62/11/1073956211.db2.gz OUISYOVYCMRDQF-UHFFFAOYSA-N 1 0 413.475 0.245 20 0 HCADRO CC(C)[C@H](CNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[NH+]1CCN(C)CC1 ZINC000605341149 1073956385 /nfs/dbraw/zinc/95/63/85/1073956385.db2.gz TYBNSLMSXAVXNM-INIZCTEOSA-N 1 0 401.508 0.867 20 0 HCADRO CC(C)[C@@H](CNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[NH+]1CCN(C)CC1 ZINC000605341150 1073956448 /nfs/dbraw/zinc/95/64/48/1073956448.db2.gz TYBNSLMSXAVXNM-MRXNPFEDSA-N 1 0 401.508 0.867 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000605341276 1073955695 /nfs/dbraw/zinc/95/56/95/1073955695.db2.gz DPQGYARHNSPSAK-UHFFFAOYSA-N 1 0 422.486 0.942 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)CC1 ZINC000605341353 1073957091 /nfs/dbraw/zinc/95/70/91/1073957091.db2.gz JFAZGMPSBBTXFM-UHFFFAOYSA-N 1 0 413.519 0.964 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)cn2)CC1 ZINC000605341369 1073957035 /nfs/dbraw/zinc/95/70/35/1073957035.db2.gz KSWMETZHOKOYJV-UHFFFAOYSA-N 1 0 422.486 0.942 20 0 HCADRO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000605341397 1073957657 /nfs/dbraw/zinc/95/76/57/1073957657.db2.gz NMWZCXBQQOFZIU-UHFFFAOYSA-N 1 0 415.491 0.572 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000605341829 1073957820 /nfs/dbraw/zinc/95/78/20/1073957820.db2.gz WGGIKPSALRVYDK-UHFFFAOYSA-N 1 0 415.491 0.491 20 0 HCADRO CCc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1S(N)(=O)=O ZINC000605342789 1073958530 /nfs/dbraw/zinc/95/85/30/1073958530.db2.gz SBNKJNWXADVPBM-AWEZNQCLSA-N 1 0 411.528 0.605 20 0 HCADRO CCc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1S(N)(=O)=O ZINC000605342790 1073958486 /nfs/dbraw/zinc/95/84/86/1073958486.db2.gz SBNKJNWXADVPBM-CQSZACIVSA-N 1 0 411.528 0.605 20 0 HCADRO CCc1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1S(N)(=O)=O ZINC000605342792 1073958337 /nfs/dbraw/zinc/95/83/37/1073958337.db2.gz SPLXSSMGJNZCPL-UHFFFAOYSA-N 1 0 423.539 0.668 20 0 HCADRO Cc1ccc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1S(N)(=O)=O ZINC000605343686 1073959137 /nfs/dbraw/zinc/95/91/37/1073959137.db2.gz OLMHCNVCIXRWPH-HNNXBMFYSA-N 1 0 411.528 0.707 20 0 HCADRO Cc1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1S(N)(=O)=O ZINC000605343687 1073958926 /nfs/dbraw/zinc/95/89/26/1073958926.db2.gz OLMHCNVCIXRWPH-OAHLLOKOSA-N 1 0 411.528 0.707 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000605344971 1073959030 /nfs/dbraw/zinc/95/90/30/1073959030.db2.gz BYRSMXRJSUICGP-UHFFFAOYSA-N 1 0 411.528 0.660 20 0 HCADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000605346128 1073960057 /nfs/dbraw/zinc/96/00/57/1073960057.db2.gz XXCGMZYBEJPMEJ-AWEZNQCLSA-N 1 0 411.528 0.660 20 0 HCADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000605346129 1073959914 /nfs/dbraw/zinc/95/99/14/1073959914.db2.gz XXCGMZYBEJPMEJ-CQSZACIVSA-N 1 0 411.528 0.660 20 0 HCADRO CC(C)[NH+](CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C(C)C ZINC000605347817 1073974254 /nfs/dbraw/zinc/97/42/54/1073974254.db2.gz SLISPMHHFCZZLZ-UHFFFAOYSA-N 1 0 419.592 0.446 20 0 HCADRO C[NH+](C)C1(CNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCCC1 ZINC000605347832 1073960097 /nfs/dbraw/zinc/96/00/97/1073960097.db2.gz UGYFLDLOYCALKZ-UHFFFAOYSA-N 1 0 417.576 0.201 20 0 HCADRO O=C(NCCC[NH+]1CCCCC1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605348255 1073954891 /nfs/dbraw/zinc/95/48/91/1073954891.db2.gz DLAHBKBSVLLRQP-UHFFFAOYSA-N 1 0 417.576 0.203 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605349227 1073974355 /nfs/dbraw/zinc/97/43/55/1073974355.db2.gz XEIZZOHWDYSVCD-INIZCTEOSA-N 1 0 417.576 0.201 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605349228 1073974990 /nfs/dbraw/zinc/97/49/90/1073974990.db2.gz XEIZZOHWDYSVCD-MRXNPFEDSA-N 1 0 417.576 0.201 20 0 HCADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605349552 1073974870 /nfs/dbraw/zinc/97/48/70/1073974870.db2.gz DIUCLPANPMKNNM-QGZVFWFLSA-N 1 0 419.592 0.303 20 0 HCADRO C[C@@H](CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000605349856 1073975089 /nfs/dbraw/zinc/97/50/89/1073975089.db2.gz HTOVPOVXFFTBSE-INIZCTEOSA-N 1 0 417.576 0.059 20 0 HCADRO C[C@H](CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000605349857 1073974972 /nfs/dbraw/zinc/97/49/72/1073974972.db2.gz HTOVPOVXFFTBSE-MRXNPFEDSA-N 1 0 417.576 0.059 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605350796 1073974980 /nfs/dbraw/zinc/97/49/80/1073974980.db2.gz SAXUOBDXQOCINI-HNNXBMFYSA-N 1 0 405.565 0.057 20 0 HCADRO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605350797 1073975059 /nfs/dbraw/zinc/97/50/59/1073975059.db2.gz SAXUOBDXQOCINI-OAHLLOKOSA-N 1 0 405.565 0.057 20 0 HCADRO C[NH+]1CCC(CCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000605351635 1073975023 /nfs/dbraw/zinc/97/50/23/1073975023.db2.gz BVMZJQLALWRGBH-UHFFFAOYSA-N 1 0 417.576 0.059 20 0 HCADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355802 1073976317 /nfs/dbraw/zinc/97/63/17/1073976317.db2.gz JWUAWDRLQHMQDE-INIZCTEOSA-N 1 0 417.576 0.011 20 0 HCADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355803 1073976264 /nfs/dbraw/zinc/97/62/64/1073976264.db2.gz JWUAWDRLQHMQDE-MRXNPFEDSA-N 1 0 417.576 0.011 20 0 HCADRO CC(C)[N@@H+]1CCCN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000605355807 1073976152 /nfs/dbraw/zinc/97/61/52/1073976152.db2.gz KHLMCUJCENHHBS-UHFFFAOYSA-N 1 0 417.576 0.154 20 0 HCADRO CC(C)C[NH+]1CCN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000605355904 1073975563 /nfs/dbraw/zinc/97/55/63/1073975563.db2.gz RYIXCHUWIIMNOR-UHFFFAOYSA-N 1 0 417.576 0.011 20 0 HCADRO CC(C)CN(CC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355909 1073975608 /nfs/dbraw/zinc/97/56/08/1073975608.db2.gz SKECFRGOQMBTQG-UHFFFAOYSA-N 1 0 419.592 0.257 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000605357633 1073976918 /nfs/dbraw/zinc/97/69/18/1073976918.db2.gz XHVDNADOCFNWMZ-AWEZNQCLSA-N 1 0 403.439 0.503 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000605357634 1073976959 /nfs/dbraw/zinc/97/69/59/1073976959.db2.gz XHVDNADOCFNWMZ-CQSZACIVSA-N 1 0 403.439 0.503 20 0 HCADRO C[NH+]1CCN(c2cc(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)ccn2)CC1 ZINC000605371049 1073978271 /nfs/dbraw/zinc/97/82/71/1073978271.db2.gz HQNVTDZXRFEEAS-UHFFFAOYSA-N 1 0 407.471 0.550 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O ZINC000605373395 1073963594 /nfs/dbraw/zinc/96/35/94/1073963594.db2.gz SMJBUVULYRYONE-INIZCTEOSA-N 1 0 412.556 0.869 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O ZINC000605373396 1073963563 /nfs/dbraw/zinc/96/35/63/1073963563.db2.gz SMJBUVULYRYONE-MRXNPFEDSA-N 1 0 412.556 0.869 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000605374233 1073963556 /nfs/dbraw/zinc/96/35/56/1073963556.db2.gz SHEKIJFABACJDK-INIZCTEOSA-N 1 0 408.524 0.411 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000605374234 1073963550 /nfs/dbraw/zinc/96/35/50/1073963550.db2.gz SHEKIJFABACJDK-MRXNPFEDSA-N 1 0 408.524 0.411 20 0 HCADRO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000605378814 1073968319 /nfs/dbraw/zinc/96/83/19/1073968319.db2.gz QWAGNMGBTFSISL-NRFANRHFSA-N 1 0 414.550 0.948 20 0 HCADRO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000605378815 1073968141 /nfs/dbraw/zinc/96/81/41/1073968141.db2.gz QWAGNMGBTFSISL-OAQYLSRUSA-N 1 0 414.550 0.948 20 0 HCADRO C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000605379402 1073971567 /nfs/dbraw/zinc/97/15/67/1073971567.db2.gz XNBJQCDXCLGWIL-KRWDZBQOSA-N 1 0 404.511 0.290 20 0 HCADRO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000605379403 1073971360 /nfs/dbraw/zinc/97/13/60/1073971360.db2.gz XNBJQCDXCLGWIL-QGZVFWFLSA-N 1 0 404.511 0.290 20 0 HCADRO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCC[NH+]1CCC(O)CC1 ZINC000605390476 1073983775 /nfs/dbraw/zinc/98/37/75/1073983775.db2.gz BWBLDEZBASNIQF-UHFFFAOYSA-N 1 0 423.457 0.947 20 0 HCADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000605390505 1073983884 /nfs/dbraw/zinc/98/38/84/1073983884.db2.gz JJVMETRPFMLRFF-HNNXBMFYSA-N 1 0 401.554 0.864 20 0 HCADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000605390506 1073983827 /nfs/dbraw/zinc/98/38/27/1073983827.db2.gz JJVMETRPFMLRFF-OAHLLOKOSA-N 1 0 401.554 0.864 20 0 HCADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000605390521 1073983977 /nfs/dbraw/zinc/98/39/77/1073983977.db2.gz NKJVKICQTVCOHQ-UHFFFAOYSA-N 1 0 411.524 0.284 20 0 HCADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000605390547 1073983964 /nfs/dbraw/zinc/98/39/64/1073983964.db2.gz QOTPOLAKZSKHNV-UHFFFAOYSA-N 1 0 416.569 0.329 20 0 HCADRO O=C(NCCC[NH+]1CCC(O)CC1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000605390659 1073983846 /nfs/dbraw/zinc/98/38/46/1073983846.db2.gz QWBAAYDOMAVASV-UHFFFAOYSA-N 1 0 417.553 0.346 20 0 HCADRO COc1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1S(=O)(=O)NC(C)C ZINC000605390681 1073983944 /nfs/dbraw/zinc/98/39/44/1073983944.db2.gz WSWQZIXGTGAHLP-UHFFFAOYSA-N 1 0 413.540 0.959 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000605390718 1073983922 /nfs/dbraw/zinc/98/39/22/1073983922.db2.gz CRAHYUCBIPXUBY-UHFFFAOYSA-N 1 0 412.556 0.776 20 0 HCADRO COc1cccc(C[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)n2nnnc2C)c1 ZINC000605391063 1073983971 /nfs/dbraw/zinc/98/39/71/1073983971.db2.gz MSZDUMAIRQYDKZ-IBGZPJMESA-N 1 0 402.499 0.737 20 0 HCADRO COc1cccc(C[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)n2nnnc2C)c1 ZINC000605391064 1073983904 /nfs/dbraw/zinc/98/39/04/1073983904.db2.gz MSZDUMAIRQYDKZ-LJQANCHMSA-N 1 0 402.499 0.737 20 0 HCADRO O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NCCC[NH+]1CCC(O)CC1 ZINC000605391156 1073983953 /nfs/dbraw/zinc/98/39/53/1073983953.db2.gz RRKSAVPIICLWCV-FQEVSTJZSA-N 1 0 414.506 0.425 20 0 HCADRO O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCCC[NH+]1CCC(O)CC1 ZINC000605391157 1073983998 /nfs/dbraw/zinc/98/39/98/1073983998.db2.gz RRKSAVPIICLWCV-HXUWFJFHSA-N 1 0 414.506 0.425 20 0 HCADRO O=C(C(=O)N1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1)N1CCOCC1 ZINC000605399316 1073985950 /nfs/dbraw/zinc/98/59/50/1073985950.db2.gz CHDKCRGEPUKPQK-UHFFFAOYSA-N 1 0 423.473 0.390 20 0 HCADRO O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000605400001 1073986546 /nfs/dbraw/zinc/98/65/46/1073986546.db2.gz XEAZPQAIWMAWBL-UHFFFAOYSA-N 1 0 409.490 0.864 20 0 HCADRO O=C(CN1CCOCC1)N1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000605400015 1073986459 /nfs/dbraw/zinc/98/64/59/1073986459.db2.gz YVUALPOOUYPBCO-UHFFFAOYSA-N 1 0 408.543 0.025 20 0 HCADRO NC(=O)CNC(=O)c1ccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000605401197 1073987163 /nfs/dbraw/zinc/98/71/63/1073987163.db2.gz LKPZKEQSYMPKPH-UHFFFAOYSA-N 1 0 402.495 0.553 20 0 HCADRO CCN(CC)S(=O)(=O)CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000605401350 1073986574 /nfs/dbraw/zinc/98/65/74/1073986574.db2.gz KWVRMMHWPKMHOU-UHFFFAOYSA-N 1 0 410.540 0.994 20 0 HCADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2)CC1 ZINC000605401386 1073986597 /nfs/dbraw/zinc/98/65/97/1073986597.db2.gz PIYGZJMXLWLQPB-UHFFFAOYSA-N 1 0 413.522 0.392 20 0 HCADRO CC1(C)C(=O)NC(=O)N1CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000605401406 1073987055 /nfs/dbraw/zinc/98/70/55/1073987055.db2.gz VBRJPRHAHGCHDI-UHFFFAOYSA-N 1 0 401.511 0.641 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)CN3C(=O)NC(=O)C3(C)C)cc2)CC1 ZINC000605401881 1073987283 /nfs/dbraw/zinc/98/72/83/1073987283.db2.gz GOHVWPGUXHJSHU-UHFFFAOYSA-N 1 0 401.511 0.771 20 0 HCADRO CC1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000605402232 1073987143 /nfs/dbraw/zinc/98/71/43/1073987143.db2.gz RAJVWLMHMBGNFE-HNNXBMFYSA-N 1 0 408.524 0.535 20 0 HCADRO CC1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000605402248 1073987078 /nfs/dbraw/zinc/98/70/78/1073987078.db2.gz RAJVWLMHMBGNFE-OAHLLOKOSA-N 1 0 408.524 0.535 20 0 HCADRO CC[NH+]1CCN(c2ccc(C(=O)NCCC(=O)N3CCN(C(C)=O)CC3)cc2)CC1 ZINC000605402790 1073987939 /nfs/dbraw/zinc/98/79/39/1073987939.db2.gz LDFQOFSEAMRPSL-UHFFFAOYSA-N 1 0 415.538 0.639 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cn1 ZINC000605403152 1073987114 /nfs/dbraw/zinc/98/71/14/1073987114.db2.gz VMROKBVTHUZHCJ-CYBMUJFWSA-N 1 0 420.495 0.084 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cn1 ZINC000605403155 1073987129 /nfs/dbraw/zinc/98/71/29/1073987129.db2.gz VMROKBVTHUZHCJ-ZDUSSCGKSA-N 1 0 420.495 0.084 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000605404826 1073988613 /nfs/dbraw/zinc/98/86/13/1073988613.db2.gz IJOXKMQVJQXIMG-INIZCTEOSA-N 1 0 412.512 0.550 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000605404845 1073988540 /nfs/dbraw/zinc/98/85/40/1073988540.db2.gz IJOXKMQVJQXIMG-MRXNPFEDSA-N 1 0 412.512 0.550 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C1 ZINC000605408094 1073990055 /nfs/dbraw/zinc/99/00/55/1073990055.db2.gz YBWIUKMMZTUEHK-AWEZNQCLSA-N 1 0 413.544 0.845 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C1 ZINC000605408095 1073989959 /nfs/dbraw/zinc/98/99/59/1073989959.db2.gz YBWIUKMMZTUEHK-CQSZACIVSA-N 1 0 413.544 0.845 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 ZINC000605408171 1073989813 /nfs/dbraw/zinc/98/98/13/1073989813.db2.gz OEFCKFJNDVVTPV-GOSISDBHSA-N 1 0 405.499 0.800 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 ZINC000605408176 1073989923 /nfs/dbraw/zinc/98/99/23/1073989923.db2.gz OEFCKFJNDVVTPV-SFHVURJKSA-N 1 0 405.499 0.800 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C1 ZINC000605414621 1073991996 /nfs/dbraw/zinc/99/19/96/1073991996.db2.gz OWCYPHUUNCEMTL-GOSISDBHSA-N 1 0 416.526 0.982 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C1 ZINC000605414622 1073991899 /nfs/dbraw/zinc/99/18/99/1073991899.db2.gz OWCYPHUUNCEMTL-SFHVURJKSA-N 1 0 416.526 0.982 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC000605415625 1073978816 /nfs/dbraw/zinc/97/88/16/1073978816.db2.gz CPVBLELBVQOIFF-INIZCTEOSA-N 1 0 418.542 0.687 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC000605415626 1073978665 /nfs/dbraw/zinc/97/86/65/1073978665.db2.gz CPVBLELBVQOIFF-MRXNPFEDSA-N 1 0 418.542 0.687 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000605415855 1073991806 /nfs/dbraw/zinc/99/18/06/1073991806.db2.gz UIDWDUXCNSJZMY-KRWDZBQOSA-N 1 0 405.499 0.866 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000605415856 1073991776 /nfs/dbraw/zinc/99/17/76/1073991776.db2.gz UIDWDUXCNSJZMY-QGZVFWFLSA-N 1 0 405.499 0.866 20 0 HCADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000605419291 1073979508 /nfs/dbraw/zinc/97/95/08/1073979508.db2.gz QNHPUFZLJYTUFC-KRWDZBQOSA-N 1 0 412.542 0.572 20 0 HCADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000605419321 1073979618 /nfs/dbraw/zinc/97/96/18/1073979618.db2.gz ULTQOXKKZLQISE-AEFFLSMTSA-N 1 0 408.568 0.941 20 0 HCADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000605419322 1073979569 /nfs/dbraw/zinc/97/95/69/1073979569.db2.gz ULTQOXKKZLQISE-FUHWJXTLSA-N 1 0 408.568 0.941 20 0 HCADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000605419323 1073979402 /nfs/dbraw/zinc/97/94/02/1073979402.db2.gz ULTQOXKKZLQISE-SJLPKXTDSA-N 1 0 408.568 0.941 20 0 HCADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000605419324 1073979540 /nfs/dbraw/zinc/97/95/40/1073979540.db2.gz ULTQOXKKZLQISE-WMZOPIPTSA-N 1 0 408.568 0.941 20 0 HCADRO O=C(C[N@H+]1CCC[C@H](CCO)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000605419518 1073980303 /nfs/dbraw/zinc/98/03/03/1073980303.db2.gz DNVDTGSNPOVLIV-GOSISDBHSA-N 1 0 409.552 0.755 20 0 HCADRO O=C(C[N@H+]1CCC[C@@H](CCO)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000605419519 1073980208 /nfs/dbraw/zinc/98/02/08/1073980208.db2.gz DNVDTGSNPOVLIV-SFHVURJKSA-N 1 0 409.552 0.755 20 0 HCADRO CC(C)(CO)[NH+]1CCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000605420400 1073980113 /nfs/dbraw/zinc/98/01/13/1073980113.db2.gz GUPSEZUXXUPAQF-UHFFFAOYSA-N 1 0 402.539 0.927 20 0 HCADRO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[NH+](C(C)(C)CO)CC1 ZINC000605420492 1073980345 /nfs/dbraw/zinc/98/03/45/1073980345.db2.gz MZBKMONTJQTVRS-HNNXBMFYSA-N 1 0 412.556 0.652 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[NH+](C(C)(C)CO)CC1 ZINC000605420493 1073980082 /nfs/dbraw/zinc/98/00/82/1073980082.db2.gz MZBKMONTJQTVRS-OAHLLOKOSA-N 1 0 412.556 0.652 20 0 HCADRO CCCCn1c(N)c(N(CC)C(=O)CN2CC[NH+](C(C)(C)CO)CC2)c(=O)[nH]c1=O ZINC000605420519 1073980193 /nfs/dbraw/zinc/98/01/93/1073980193.db2.gz OAUMQJHMBFGXCD-UHFFFAOYSA-N 1 0 424.546 0.073 20 0 HCADRO Cc1cc(NC(=O)CN2CC[NH+](C(C)(C)CO)CC2)n(-c2nc(C)cc(C)n2)n1 ZINC000605420585 1073981087 /nfs/dbraw/zinc/98/10/87/1073981087.db2.gz QVPNIJAHHYDJBV-UHFFFAOYSA-N 1 0 401.515 0.915 20 0 HCADRO COc1ccc(CN2CCN(C(=O)CN3CC[NH+](C(C)(C)CO)CC3)CC2)cc1 ZINC000605420706 1073981035 /nfs/dbraw/zinc/98/10/35/1073981035.db2.gz XBJZPOHEEHUACT-UHFFFAOYSA-N 1 0 404.555 0.728 20 0 HCADRO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CC[NH+](C(C)(C)CO)CC1 ZINC000605420821 1073980995 /nfs/dbraw/zinc/98/09/95/1073980995.db2.gz CMZARGRKCFJURM-GFCCVEGCSA-N 1 0 416.444 0.936 20 0 HCADRO C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CC[NH+](C(C)(C)CO)CC1 ZINC000605420822 1073981024 /nfs/dbraw/zinc/98/10/24/1073981024.db2.gz CMZARGRKCFJURM-LBPRGKRZSA-N 1 0 416.444 0.936 20 0 HCADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000605420877 1073981009 /nfs/dbraw/zinc/98/10/09/1073981009.db2.gz GRXORZWHALCCTA-AWEZNQCLSA-N 1 0 410.540 0.000 20 0 HCADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000605420878 1073980906 /nfs/dbraw/zinc/98/09/06/1073980906.db2.gz GRXORZWHALCCTA-CQSZACIVSA-N 1 0 410.540 0.000 20 0 HCADRO CC(C)(CO)[NH+]1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000605421039 1073980883 /nfs/dbraw/zinc/98/08/83/1073980883.db2.gz PFARVWRMQCSKPD-UHFFFAOYSA-N 1 0 424.567 0.798 20 0 HCADRO Cc1ccc(NC(=O)CN2CC[NH+](C(C)(C)CO)CC2)cc1S(=O)(=O)N(C)C ZINC000605421058 1073980985 /nfs/dbraw/zinc/98/09/85/1073980985.db2.gz QWRWVXGKEBRPDR-UHFFFAOYSA-N 1 0 412.556 0.572 20 0 HCADRO O=C(C[N@@H+](CCCCO)C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000605421324 1073980287 /nfs/dbraw/zinc/98/02/87/1073980287.db2.gz QUHLUDCSYZGGRR-UHFFFAOYSA-N 1 0 413.515 0.896 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000605421344 1073980133 /nfs/dbraw/zinc/98/01/33/1073980133.db2.gz CSGFPFDBYPKKPG-INIZCTEOSA-N 1 0 410.540 0.170 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000605421345 1073980333 /nfs/dbraw/zinc/98/03/33/1073980333.db2.gz CSGFPFDBYPKKPG-MRXNPFEDSA-N 1 0 410.540 0.170 20 0 HCADRO O=C(C[N@@H+](CCCO)C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000605421803 1073981935 /nfs/dbraw/zinc/98/19/35/1073981935.db2.gz JWNPPGYPNWJXAZ-UHFFFAOYSA-N 1 0 421.563 0.855 20 0 HCADRO CCN(C(=O)C[N@H+](CCCO)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000605421938 1073981778 /nfs/dbraw/zinc/98/17/78/1073981778.db2.gz BBPZSHOTMXJLFJ-UHFFFAOYSA-N 1 0 415.494 0.779 20 0 HCADRO O=C(C[N@@H+](CCCO)C1CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000605421963 1073981836 /nfs/dbraw/zinc/98/18/36/1073981836.db2.gz CGUWXSDNRLCZRT-UHFFFAOYSA-N 1 0 411.524 0.171 20 0 HCADRO Cc1nnc(CN2CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)[nH]1 ZINC000605422259 1073981667 /nfs/dbraw/zinc/98/16/67/1073981667.db2.gz SIAXUSGSLXQNTK-UHFFFAOYSA-N 1 0 419.574 0.382 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](CCCO)C3CC3)CC2)cc1 ZINC000605422268 1073981573 /nfs/dbraw/zinc/98/15/73/1073981573.db2.gz SUMBSNQJSQSZFB-UHFFFAOYSA-N 1 0 423.535 0.569 20 0 HCADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2=O)c1 ZINC000605425533 1073983310 /nfs/dbraw/zinc/98/33/10/1073983310.db2.gz AMMZGDHMGFEPAR-KBPBESRZSA-N 1 0 406.508 0.287 20 0 HCADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2=O)c1 ZINC000605425534 1073983370 /nfs/dbraw/zinc/98/33/70/1073983370.db2.gz AMMZGDHMGFEPAR-KGLIPLIRSA-N 1 0 406.508 0.287 20 0 HCADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2=O)c1 ZINC000605425535 1073983155 /nfs/dbraw/zinc/98/31/55/1073983155.db2.gz AMMZGDHMGFEPAR-UONOGXRCSA-N 1 0 406.508 0.287 20 0 HCADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2=O)c1 ZINC000605425536 1073983092 /nfs/dbraw/zinc/98/30/92/1073983092.db2.gz AMMZGDHMGFEPAR-ZIAGYGMSSA-N 1 0 406.508 0.287 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)CC1=O ZINC000605426172 1073983208 /nfs/dbraw/zinc/98/32/08/1073983208.db2.gz XJICXZIMFWEOHV-INIZCTEOSA-N 1 0 412.494 0.257 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)CC1=O ZINC000605426173 1073983282 /nfs/dbraw/zinc/98/32/82/1073983282.db2.gz XJICXZIMFWEOHV-MRXNPFEDSA-N 1 0 412.494 0.257 20 0 HCADRO CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000605426587 1073984572 /nfs/dbraw/zinc/98/45/72/1073984572.db2.gz ATYJKBQGHMYPSM-AWEZNQCLSA-N 1 0 401.467 0.653 20 0 HCADRO CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000605426588 1073984667 /nfs/dbraw/zinc/98/46/67/1073984667.db2.gz ATYJKBQGHMYPSM-CQSZACIVSA-N 1 0 401.467 0.653 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000605429976 1074002120 /nfs/dbraw/zinc/00/21/20/1074002120.db2.gz VAFHWLPLIFWCKX-KRWDZBQOSA-N 1 0 418.542 0.247 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000605429977 1074002358 /nfs/dbraw/zinc/00/23/58/1074002358.db2.gz VAFHWLPLIFWCKX-QGZVFWFLSA-N 1 0 418.542 0.247 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000605429991 1074002222 /nfs/dbraw/zinc/00/22/22/1074002222.db2.gz XDEPZAPBRFHQGE-INIZCTEOSA-N 1 0 415.538 0.924 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000605429992 1074002149 /nfs/dbraw/zinc/00/21/49/1074002149.db2.gz XDEPZAPBRFHQGE-MRXNPFEDSA-N 1 0 415.538 0.924 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605430012 1074002424 /nfs/dbraw/zinc/00/24/24/1074002424.db2.gz ZPXGIZZPRICSAX-HNNXBMFYSA-N 1 0 401.511 0.301 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605430013 1074002242 /nfs/dbraw/zinc/00/22/42/1074002242.db2.gz ZPXGIZZPRICSAX-OAHLLOKOSA-N 1 0 401.511 0.301 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000605430018 1074001575 /nfs/dbraw/zinc/00/15/75/1074001575.db2.gz AKCVCPRGLQLOGW-GOSISDBHSA-N 1 0 417.554 0.852 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000605430019 1074001821 /nfs/dbraw/zinc/00/18/21/1074001821.db2.gz AKCVCPRGLQLOGW-SFHVURJKSA-N 1 0 417.554 0.852 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000605430022 1074001886 /nfs/dbraw/zinc/00/18/86/1074001886.db2.gz BAYAFMMFYXFJRW-INIZCTEOSA-N 1 0 415.538 0.907 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000605430023 1074001725 /nfs/dbraw/zinc/00/17/25/1074001725.db2.gz BAYAFMMFYXFJRW-MRXNPFEDSA-N 1 0 415.538 0.907 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000605430032 1074001850 /nfs/dbraw/zinc/00/18/50/1074001850.db2.gz CHFOCJTVUWAUMZ-CABCVRRESA-N 1 0 417.510 0.734 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000605430033 1074001515 /nfs/dbraw/zinc/00/15/15/1074001515.db2.gz CHFOCJTVUWAUMZ-GJZGRUSLSA-N 1 0 417.510 0.734 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000605430034 1074001653 /nfs/dbraw/zinc/00/16/53/1074001653.db2.gz CHFOCJTVUWAUMZ-HUUCEWRRSA-N 1 0 417.510 0.734 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000605430035 1074001779 /nfs/dbraw/zinc/00/17/79/1074001779.db2.gz CHFOCJTVUWAUMZ-LSDHHAIUSA-N 1 0 417.510 0.734 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000605430056 1074001834 /nfs/dbraw/zinc/00/18/34/1074001834.db2.gz FICISOKOVAPUSP-AWEZNQCLSA-N 1 0 403.483 0.460 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000605430057 1074001610 /nfs/dbraw/zinc/00/16/10/1074001610.db2.gz FICISOKOVAPUSP-CQSZACIVSA-N 1 0 403.483 0.460 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000605430070 1074001807 /nfs/dbraw/zinc/00/18/07/1074001807.db2.gz HBWQQEVYAFKOPJ-HNNXBMFYSA-N 1 0 416.526 0.205 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000605430071 1074002387 /nfs/dbraw/zinc/00/23/87/1074002387.db2.gz HBWQQEVYAFKOPJ-OAHLLOKOSA-N 1 0 416.526 0.205 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)CC1 ZINC000605430210 1074001136 /nfs/dbraw/zinc/00/11/36/1074001136.db2.gz QHAXZLJSMCTDGO-HNNXBMFYSA-N 1 0 424.567 0.727 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)CC1 ZINC000605430211 1074000927 /nfs/dbraw/zinc/00/09/27/1074000927.db2.gz QHAXZLJSMCTDGO-OAHLLOKOSA-N 1 0 424.567 0.727 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)CC1 ZINC000605430214 1074001272 /nfs/dbraw/zinc/00/12/72/1074001272.db2.gz QJCYMQXYCIPHHN-INIZCTEOSA-N 1 0 403.527 0.998 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)CC1 ZINC000605430215 1074001020 /nfs/dbraw/zinc/00/10/20/1074001020.db2.gz QJCYMQXYCIPHHN-MRXNPFEDSA-N 1 0 403.527 0.998 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000605430218 1074001063 /nfs/dbraw/zinc/00/10/63/1074001063.db2.gz QRADDXYFERLAKZ-INIZCTEOSA-N 1 0 403.527 0.717 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000605430219 1074001873 /nfs/dbraw/zinc/00/18/73/1074001873.db2.gz QRADDXYFERLAKZ-MRXNPFEDSA-N 1 0 403.527 0.717 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 ZINC000605430240 1074001547 /nfs/dbraw/zinc/00/15/47/1074001547.db2.gz SBIBDGRBMLSWPC-AWEZNQCLSA-N 1 0 401.515 0.605 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 ZINC000605430241 1074001858 /nfs/dbraw/zinc/00/18/58/1074001858.db2.gz SBIBDGRBMLSWPC-CQSZACIVSA-N 1 0 401.515 0.605 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)CC1 ZINC000605430256 1074001866 /nfs/dbraw/zinc/00/18/66/1074001866.db2.gz UHBQXOARHBQMKV-INIZCTEOSA-N 1 0 419.526 0.140 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)CC1 ZINC000605430257 1074001760 /nfs/dbraw/zinc/00/17/60/1074001760.db2.gz UHBQXOARHBQMKV-MRXNPFEDSA-N 1 0 419.526 0.140 20 0 HCADRO CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC000605430278 1074001487 /nfs/dbraw/zinc/00/14/87/1074001487.db2.gz VCLFYJVUANYHGW-INIZCTEOSA-N 1 0 403.527 0.765 20 0 HCADRO CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC000605430279 1074001844 /nfs/dbraw/zinc/00/18/44/1074001844.db2.gz VCLFYJVUANYHGW-MRXNPFEDSA-N 1 0 403.527 0.765 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(CC(=O)NC)cc2)CC1 ZINC000605430304 1074001797 /nfs/dbraw/zinc/00/17/97/1074001797.db2.gz WNHCMHIPYVEIIB-INIZCTEOSA-N 1 0 403.527 0.303 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(CC(=O)NC)cc2)CC1 ZINC000605430305 1074001686 /nfs/dbraw/zinc/00/16/86/1074001686.db2.gz WNHCMHIPYVEIIB-MRXNPFEDSA-N 1 0 403.527 0.303 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000605430334 1074001106 /nfs/dbraw/zinc/00/11/06/1074001106.db2.gz YLTSXDDTJFCLPI-HNNXBMFYSA-N 1 0 419.526 0.982 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000605430335 1074001170 /nfs/dbraw/zinc/00/11/70/1074001170.db2.gz YLTSXDDTJFCLPI-OAHLLOKOSA-N 1 0 419.526 0.982 20 0 HCADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc2)CC1 ZINC000605430709 1074004470 /nfs/dbraw/zinc/00/44/70/1074004470.db2.gz ONQRQNLDOGGGFT-UHFFFAOYSA-N 1 0 417.554 0.646 20 0 HCADRO CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000605430734 1074004557 /nfs/dbraw/zinc/00/45/57/1074004557.db2.gz VKWOBANCRFNDGB-UHFFFAOYSA-N 1 0 403.527 0.717 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1)C[NH+]1CCN(C)CC1 ZINC000605430766 1074004690 /nfs/dbraw/zinc/00/46/90/1074004690.db2.gz BGYXTEUGTDTMSG-HNNXBMFYSA-N 1 0 401.511 0.973 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1)C[NH+]1CCN(C)CC1 ZINC000605430767 1074004434 /nfs/dbraw/zinc/00/44/34/1074004434.db2.gz BGYXTEUGTDTMSG-OAHLLOKOSA-N 1 0 401.511 0.973 20 0 HCADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000605430768 1074004547 /nfs/dbraw/zinc/00/45/47/1074004547.db2.gz BKRWCOWBJHJXHS-UHFFFAOYSA-N 1 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CCOc1ccc(S(=O)(=O)NCCC(=O)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000605543249 1074007584 /nfs/dbraw/zinc/00/75/84/1074007584.db2.gz KMXSQTPYDFXOKO-UHFFFAOYSA-N 1 0 413.540 0.717 20 0 HCADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000605543273 1074007830 /nfs/dbraw/zinc/00/78/30/1074007830.db2.gz NHPBAMUUFFHWLL-HNNXBMFYSA-N 1 0 403.479 0.774 20 0 HCADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000605543274 1074007818 /nfs/dbraw/zinc/00/78/18/1074007818.db2.gz NHPBAMUUFFHWLL-OAHLLOKOSA-N 1 0 403.479 0.774 20 0 HCADRO Cc1c(C(=O)NCCC[NH+]2CCC(O)CC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000605543356 1074007766 /nfs/dbraw/zinc/00/77/66/1074007766.db2.gz WNCJTLCONXPFCQ-UHFFFAOYSA-N 1 0 401.467 0.924 20 0 HCADRO CN(CC(=O)NCCC[NH+]1CCC(O)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000605543368 1074007624 /nfs/dbraw/zinc/00/76/24/1074007624.db2.gz ZDVMQZJQOUUTRE-UHFFFAOYSA-N 1 0 409.961 0.985 20 0 HCADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000605543492 1074007993 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411.524 0.788 20 0 HCADRO O=C(CCNS(=O)(=O)c1cccs1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563690 1074018901 /nfs/dbraw/zinc/01/89/01/1074018901.db2.gz VYHBEWMRPWKHGI-UHFFFAOYSA-N 1 0 401.554 0.987 20 0 HCADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563741 1074018960 /nfs/dbraw/zinc/01/89/60/1074018960.db2.gz NAIKABGSCNSBCC-AWEZNQCLSA-N 1 0 401.554 0.986 20 0 HCADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563742 1074019038 /nfs/dbraw/zinc/01/90/38/1074019038.db2.gz NAIKABGSCNSBCC-CQSZACIVSA-N 1 0 401.554 0.986 20 0 HCADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563865 1074018930 /nfs/dbraw/zinc/01/89/30/1074018930.db2.gz OWUBNORSGXPHRW-UHFFFAOYSA-N 1 0 415.288 0.282 20 0 HCADRO CCn1c2ccc(C(=O)N3CC[NH+](CC4CCOCC4)CC3)cc2[nH]c(=O)c1=O ZINC000605564078 1074019004 /nfs/dbraw/zinc/01/90/04/1074019004.db2.gz TYBKOKLJFOYDHD-UHFFFAOYSA-N 1 0 400.479 0.894 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)nc2)CC1 ZINC000605570658 1074020591 /nfs/dbraw/zinc/02/05/91/1074020591.db2.gz UASOJFABUQOKDS-KRWDZBQOSA-N 1 0 423.583 0.931 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)nc2)CC1 ZINC000605570659 1074020505 /nfs/dbraw/zinc/02/05/05/1074020505.db2.gz UASOJFABUQOKDS-QGZVFWFLSA-N 1 0 423.583 0.931 20 0 HCADRO CN1CCN(S(=O)(=O)c2ccc(N3CC[NH+](CC4CCOCC4)CC3)nc2)CC1 ZINC000605571663 1074020920 /nfs/dbraw/zinc/02/09/20/1074020920.db2.gz AMLXTTABUSDYOO-UHFFFAOYSA-N 1 0 423.583 0.566 20 0 HCADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)C(C)(C)CO ZINC000605574696 1074021134 /nfs/dbraw/zinc/02/11/34/1074021134.db2.gz FBCVGMCZDGOIEZ-UHFFFAOYSA-N 1 0 405.467 0.500 20 0 HCADRO CCN(C(=O)C[N@H+](C)C(C)(C)CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000605574719 1074020993 /nfs/dbraw/zinc/02/09/93/1074020993.db2.gz HAMJLSRJJBRXAG-UHFFFAOYSA-N 1 0 403.483 0.635 20 0 HCADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)(C)CO ZINC000605574875 1074021065 /nfs/dbraw/zinc/02/10/65/1074021065.db2.gz RUIPMUBKLDEJKH-UHFFFAOYSA-N 1 0 403.932 0.876 20 0 HCADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(C)(C)CO ZINC000605574964 1074021104 /nfs/dbraw/zinc/02/11/04/1074021104.db2.gz CLQVHZCMKXKGCJ-UHFFFAOYSA-N 1 0 409.552 0.711 20 0 HCADRO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605576253 1074021040 /nfs/dbraw/zinc/02/10/40/1074021040.db2.gz DMMPHAKLZAYPDV-GOSISDBHSA-N 1 0 418.538 0.997 20 0 HCADRO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605576255 1074021188 /nfs/dbraw/zinc/02/11/88/1074021188.db2.gz DMMPHAKLZAYPDV-SFHVURJKSA-N 1 0 418.538 0.997 20 0 HCADRO CC(=O)N1CCCc2ccc(S(=O)(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc21 ZINC000605586665 1074021675 /nfs/dbraw/zinc/02/16/75/1074021675.db2.gz AVLSRDOVYPJCOD-KRWDZBQOSA-N 1 0 422.551 0.851 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000605597780 1074022892 /nfs/dbraw/zinc/02/28/92/1074022892.db2.gz CPRQHIDIRJUUQI-INIZCTEOSA-N 1 0 410.540 0.895 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000605597781 1074022812 /nfs/dbraw/zinc/02/28/12/1074022812.db2.gz CPRQHIDIRJUUQI-MRXNPFEDSA-N 1 0 410.540 0.895 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000605597793 1074022925 /nfs/dbraw/zinc/02/29/25/1074022925.db2.gz DGPMZRFWUMNYCA-KRWDZBQOSA-N 1 0 409.575 0.777 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000605597794 1074022963 /nfs/dbraw/zinc/02/29/63/1074022963.db2.gz DGPMZRFWUMNYCA-QGZVFWFLSA-N 1 0 409.575 0.777 20 0 HCADRO CC1CC[NH+](CCNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 ZINC000605600433 1074022910 /nfs/dbraw/zinc/02/29/10/1074022910.db2.gz CUBOBVCHTLUKPS-UHFFFAOYSA-N 1 0 416.588 0.991 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000605600499 1074022780 /nfs/dbraw/zinc/02/27/80/1074022780.db2.gz HUCQTGWKKHXVSR-INIZCTEOSA-N 1 0 416.588 0.991 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000605600695 1074022839 /nfs/dbraw/zinc/02/28/39/1074022839.db2.gz HUCQTGWKKHXVSR-MRXNPFEDSA-N 1 0 416.588 0.991 20 0 HCADRO C[C@@H]1[C@H](C)N(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCS1(=O)=O ZINC000605601551 1074022801 /nfs/dbraw/zinc/02/28/01/1074022801.db2.gz NHBHCQHFEBRKLV-DLBZAZTESA-N 1 0 409.556 0.811 20 0 HCADRO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000605601552 1074022733 /nfs/dbraw/zinc/02/27/33/1074022733.db2.gz NHBHCQHFEBRKLV-IAGOWNOFSA-N 1 0 409.556 0.811 20 0 HCADRO C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000605601555 1074022720 /nfs/dbraw/zinc/02/27/20/1074022720.db2.gz NHBHCQHFEBRKLV-IRXDYDNUSA-N 1 0 409.556 0.811 20 0 HCADRO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000605601559 1074022870 /nfs/dbraw/zinc/02/28/70/1074022870.db2.gz NHBHCQHFEBRKLV-SJORKVTESA-N 1 0 409.556 0.811 20 0 HCADRO O=C(NCCCn1nc2n(c1=O)CCCC2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605602185 1074023719 /nfs/dbraw/zinc/02/37/19/1074023719.db2.gz LHWZMKHBMHDJAK-INIZCTEOSA-N 1 0 406.531 0.571 20 0 HCADRO O=C(NCCCn1nc2n(c1=O)CCCC2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605602186 1074023606 /nfs/dbraw/zinc/02/36/06/1074023606.db2.gz LHWZMKHBMHDJAK-MRXNPFEDSA-N 1 0 406.531 0.571 20 0 HCADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605603898 1074025577 /nfs/dbraw/zinc/02/55/77/1074025577.db2.gz XVLDEJUKVNJDEZ-FXAWDEMLSA-N 1 0 412.600 0.994 20 0 HCADRO O=C(NC[C@@]1(N2CCOCC2)CCSC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605603899 1074025347 /nfs/dbraw/zinc/02/53/47/1074025347.db2.gz XVLDEJUKVNJDEZ-PXNSSMCTSA-N 1 0 412.600 0.994 20 0 HCADRO O=C(NC[C@@]1(N2CCOCC2)CCSC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605603900 1074025914 /nfs/dbraw/zinc/02/59/14/1074025914.db2.gz XVLDEJUKVNJDEZ-XLIONFOSSA-N 1 0 412.600 0.994 20 0 HCADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605603901 1074026073 /nfs/dbraw/zinc/02/60/73/1074026073.db2.gz XVLDEJUKVNJDEZ-YLJYHZDGSA-N 1 0 412.600 0.994 20 0 HCADRO CN(CCc1ccccn1)C(=O)CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605604226 1074025526 /nfs/dbraw/zinc/02/55/26/1074025526.db2.gz QIKXARXMHMBTQJ-KRWDZBQOSA-N 1 0 403.527 0.883 20 0 HCADRO CN(CCc1ccccn1)C(=O)CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605604227 1074025650 /nfs/dbraw/zinc/02/56/50/1074025650.db2.gz QIKXARXMHMBTQJ-QGZVFWFLSA-N 1 0 403.527 0.883 20 0 HCADRO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000605604368 1074025663 /nfs/dbraw/zinc/02/56/63/1074025663.db2.gz XFIGAPVDUPTDCB-CABCVRRESA-N 1 0 410.540 0.695 20 0 HCADRO C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000605604369 1074025440 /nfs/dbraw/zinc/02/54/40/1074025440.db2.gz XFIGAPVDUPTDCB-GJZGRUSLSA-N 1 0 410.540 0.695 20 0 HCADRO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000605604370 1074025457 /nfs/dbraw/zinc/02/54/57/1074025457.db2.gz XFIGAPVDUPTDCB-HUUCEWRRSA-N 1 0 410.540 0.695 20 0 HCADRO C[C@@H]1[C@H](C)N(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCS1(=O)=O ZINC000605604371 1074025658 /nfs/dbraw/zinc/02/56/58/1074025658.db2.gz XFIGAPVDUPTDCB-LSDHHAIUSA-N 1 0 410.540 0.695 20 0 HCADRO CC[N@H+](CCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)C1CC1 ZINC000605604479 1074025558 /nfs/dbraw/zinc/02/55/58/1074025558.db2.gz CCUBGZDNVSMTAK-UHFFFAOYSA-N 1 0 402.561 0.743 20 0 HCADRO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605604551 1074025599 /nfs/dbraw/zinc/02/55/99/1074025599.db2.gz HFIIUMSPZYDDBN-HNNXBMFYSA-N 1 0 404.577 0.989 20 0 HCADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605604552 1074025536 /nfs/dbraw/zinc/02/55/36/1074025536.db2.gz HFIIUMSPZYDDBN-OAHLLOKOSA-N 1 0 404.577 0.989 20 0 HCADRO C[C@@H]1[C@H](C)N(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCS1(=O)=O ZINC000605604901 1074025969 /nfs/dbraw/zinc/02/59/69/1074025969.db2.gz XEKMZRPNGFZZBT-DLBZAZTESA-N 1 0 424.571 0.596 20 0 HCADRO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000605604902 1074026037 /nfs/dbraw/zinc/02/60/37/1074026037.db2.gz XEKMZRPNGFZZBT-IAGOWNOFSA-N 1 0 424.571 0.596 20 0 HCADRO C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000605604903 1074025948 /nfs/dbraw/zinc/02/59/48/1074025948.db2.gz XEKMZRPNGFZZBT-IRXDYDNUSA-N 1 0 424.571 0.596 20 0 HCADRO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000605604904 1074025859 /nfs/dbraw/zinc/02/58/59/1074025859.db2.gz XEKMZRPNGFZZBT-SJORKVTESA-N 1 0 424.571 0.596 20 0 HCADRO NS(=O)(=O)c1ccc(F)c(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000605607422 1074026093 /nfs/dbraw/zinc/02/60/93/1074026093.db2.gz ISDLSRZDRROMSP-CYBMUJFWSA-N 1 0 414.503 0.773 20 0 HCADRO NS(=O)(=O)c1ccc(F)c(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000605607431 1074026105 /nfs/dbraw/zinc/02/61/05/1074026105.db2.gz ISDLSRZDRROMSP-ZDUSSCGKSA-N 1 0 414.503 0.773 20 0 HCADRO COc1ccnc(N2CCN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)n1 ZINC000605607581 1074025833 /nfs/dbraw/zinc/02/58/33/1074025833.db2.gz KMQRRPYNDBMRMI-INIZCTEOSA-N 1 0 404.515 0.818 20 0 HCADRO COc1ccnc(N2CCN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC2)n1 ZINC000605607587 1074026021 /nfs/dbraw/zinc/02/60/21/1074026021.db2.gz KMQRRPYNDBMRMI-MRXNPFEDSA-N 1 0 404.515 0.818 20 0 HCADRO O=C(NCCS(=O)(=O)NCc1ccccc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605607880 1074026415 /nfs/dbraw/zinc/02/64/15/1074026415.db2.gz FDMWTNVHGMEUHP-GOSISDBHSA-N 1 0 424.567 0.906 20 0 HCADRO O=C(NCCS(=O)(=O)NCc1ccccc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605607882 1074026353 /nfs/dbraw/zinc/02/63/53/1074026353.db2.gz FDMWTNVHGMEUHP-SFHVURJKSA-N 1 0 424.567 0.906 20 0 HCADRO O=C(CN1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1)N1CCCC1 ZINC000605608025 1074026280 /nfs/dbraw/zinc/02/62/80/1074026280.db2.gz NXMZHAOSTJOEMV-GOSISDBHSA-N 1 0 407.559 0.437 20 0 HCADRO O=C(CN1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1)N1CCCC1 ZINC000605608026 1074026396 /nfs/dbraw/zinc/02/63/96/1074026396.db2.gz NXMZHAOSTJOEMV-SFHVURJKSA-N 1 0 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409.575 0.731 20 0 HCADRO COc1cc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1OCC(N)=O ZINC000605957840 1074050135 /nfs/dbraw/zinc/05/01/35/1074050135.db2.gz QUVRVIZEULUXAR-UHFFFAOYSA-N 1 0 420.510 0.813 20 0 HCADRO O=C(NCCCn1nc2n(c1=O)CCCC2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605958796 1074050425 /nfs/dbraw/zinc/05/04/25/1074050425.db2.gz FBQGEBQUQAVZLH-UHFFFAOYSA-N 1 0 406.531 0.525 20 0 HCADRO O=C(NC[C@@]1(N2CCOCC2)CCSC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605960956 1074050441 /nfs/dbraw/zinc/05/04/41/1074050441.db2.gz PGLDHLVXJRNUAY-FQEVSTJZSA-N 1 0 412.600 0.948 20 0 HCADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605960959 1074050533 /nfs/dbraw/zinc/05/05/33/1074050533.db2.gz PGLDHLVXJRNUAY-HXUWFJFHSA-N 1 0 412.600 0.948 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605963642 1074050571 /nfs/dbraw/zinc/05/05/71/1074050571.db2.gz FTDZRJKYHSLBNK-HNNXBMFYSA-N 1 0 404.577 0.989 20 0 HCADRO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605963643 1074050349 /nfs/dbraw/zinc/05/03/49/1074050349.db2.gz FTDZRJKYHSLBNK-OAHLLOKOSA-N 1 0 404.577 0.989 20 0 HCADRO CS(=O)(=O)N1CCC(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000605965290 1074050919 /nfs/dbraw/zinc/05/09/19/1074050919.db2.gz INKHEHMLXLCOHB-UHFFFAOYSA-N 1 0 402.561 0.412 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605966124 1074051010 /nfs/dbraw/zinc/05/10/10/1074051010.db2.gz JXNVDQNRBNSRJK-UHFFFAOYSA-N 1 0 420.576 0.227 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000605968960 1074051343 /nfs/dbraw/zinc/05/13/43/1074051343.db2.gz WFUNZJWJDVIYAM-UHFFFAOYSA-N 1 0 416.570 0.662 20 0 HCADRO C[C@@H](CNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000605969505 1074051821 /nfs/dbraw/zinc/05/18/21/1074051821.db2.gz JVEFUYGBWHTQKE-AWEZNQCLSA-N 1 0 402.561 0.742 20 0 HCADRO C[C@H](CNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000605969511 1074051787 /nfs/dbraw/zinc/05/17/87/1074051787.db2.gz JVEFUYGBWHTQKE-CQSZACIVSA-N 1 0 402.561 0.742 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000605969714 1074051493 /nfs/dbraw/zinc/05/14/93/1074051493.db2.gz UXLHUXBKARNKCR-NRFANRHFSA-N 1 0 416.526 0.568 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000605969723 1074051926 /nfs/dbraw/zinc/05/19/26/1074051926.db2.gz UXLHUXBKARNKCR-OAQYLSRUSA-N 1 0 416.526 0.568 20 0 HCADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000605969797 1074052121 /nfs/dbraw/zinc/05/21/21/1074052121.db2.gz MUNPWBSBOZYQGJ-INIZCTEOSA-N 1 0 411.572 0.983 20 0 HCADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000605969799 1074051990 /nfs/dbraw/zinc/05/19/90/1074051990.db2.gz MUNPWBSBOZYQGJ-MRXNPFEDSA-N 1 0 411.572 0.983 20 0 HCADRO CN(CCc1ccccn1)C(=O)CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605970708 1074052071 /nfs/dbraw/zinc/05/20/71/1074052071.db2.gz WYKHMTSAPAKYLT-UHFFFAOYSA-N 1 0 403.527 0.836 20 0 HCADRO C[NH+]1CCC(CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 ZINC000605970843 1074051911 /nfs/dbraw/zinc/05/19/11/1074051911.db2.gz DRJFHSAIFQSHHD-UHFFFAOYSA-N 1 0 402.561 0.601 20 0 HCADRO C[NH+]1CCC(CCNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 ZINC000605970969 1074052175 /nfs/dbraw/zinc/05/21/75/1074052175.db2.gz MIARSMYMEWLZQP-UHFFFAOYSA-N 1 0 416.588 0.991 20 0 HCADRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000605973555 1074046059 /nfs/dbraw/zinc/04/60/59/1074046059.db2.gz LBWYHPFNHKXQEM-RBUKOAKNSA-N 1 0 417.554 0.862 20 0 HCADRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000605973557 1074045676 /nfs/dbraw/zinc/04/56/76/1074045676.db2.gz LBWYHPFNHKXQEM-RTBURBONSA-N 1 0 417.554 0.862 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@@H](O)[C@H]3CCOC3)c2)C1 ZINC000605974269 1074045848 /nfs/dbraw/zinc/04/58/48/1074045848.db2.gz SZBJDYIBBXWSJO-CEXWTWQISA-N 1 0 404.511 0.581 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@@H](O)[C@@H]3CCOC3)c2)C1 ZINC000605974270 1074045803 /nfs/dbraw/zinc/04/58/03/1074045803.db2.gz SZBJDYIBBXWSJO-GUDVDZBRSA-N 1 0 404.511 0.581 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@H](O)[C@@H]3CCOC3)c2)C1 ZINC000605974272 1074045883 /nfs/dbraw/zinc/04/58/83/1074045883.db2.gz SZBJDYIBBXWSJO-QRVBRYPASA-N 1 0 404.511 0.581 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@H](O)[C@H]3CCOC3)c2)C1 ZINC000605974274 1074045737 /nfs/dbraw/zinc/04/57/37/1074045737.db2.gz SZBJDYIBBXWSJO-QYZOEREBSA-N 1 0 404.511 0.581 20 0 HCADRO CN(C(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000605974303 1074045755 /nfs/dbraw/zinc/04/57/55/1074045755.db2.gz FOCYNSPOKANQIA-IBGZPJMESA-N 1 0 419.574 0.477 20 0 HCADRO CN(C(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000605974304 1074045709 /nfs/dbraw/zinc/04/57/09/1074045709.db2.gz FOCYNSPOKANQIA-LJQANCHMSA-N 1 0 419.574 0.477 20 0 HCADRO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605974849 1074045967 /nfs/dbraw/zinc/04/59/67/1074045967.db2.gz RVGSVKFCKWXQDV-UHFFFAOYSA-N 1 0 420.601 0.119 20 0 HCADRO CCCC[N@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605975304 1074046560 /nfs/dbraw/zinc/04/65/60/1074046560.db2.gz NVIJGQJAPPDYGA-UHFFFAOYSA-N 1 0 404.577 0.991 20 0 HCADRO O=C(NCCS(=O)(=O)NCC1CCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605975529 1074046608 /nfs/dbraw/zinc/04/66/08/1074046608.db2.gz GWIIVQMZUFULKL-UHFFFAOYSA-N 1 0 402.561 0.460 20 0 HCADRO NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000605976622 1074046303 /nfs/dbraw/zinc/04/63/03/1074046303.db2.gz KPKBYUUNGFGMDE-UHFFFAOYSA-N 1 0 414.503 0.727 20 0 HCADRO Cc1ccc(N2CCC[C@H](NC(=O)NCCCC[NH+]3CCN(CCO)CC3)C2)nn1 ZINC000605976918 1074046242 /nfs/dbraw/zinc/04/62/42/1074046242.db2.gz VWGAPZFTJRJKEX-IBGZPJMESA-N 1 0 419.574 0.443 20 0 HCADRO Cc1ccc(N2CCC[C@@H](NC(=O)NCCCC[NH+]3CCN(CCO)CC3)C2)nn1 ZINC000605976923 1074046346 /nfs/dbraw/zinc/04/63/46/1074046346.db2.gz VWGAPZFTJRJKEX-LJQANCHMSA-N 1 0 419.574 0.443 20 0 HCADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605977019 1074046630 /nfs/dbraw/zinc/04/66/30/1074046630.db2.gz LHQODEJPURBHTD-HNNXBMFYSA-N 1 0 400.545 0.496 20 0 HCADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605980295 1074047073 /nfs/dbraw/zinc/04/70/73/1074047073.db2.gz JJTAQPCILMOMIF-AEFFLSMTSA-N 1 0 416.588 0.991 20 0 HCADRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605980298 1074047090 /nfs/dbraw/zinc/04/70/90/1074047090.db2.gz JJTAQPCILMOMIF-FUHWJXTLSA-N 1 0 416.588 0.991 20 0 HCADRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605980300 1074047020 /nfs/dbraw/zinc/04/70/20/1074047020.db2.gz JJTAQPCILMOMIF-SJLPKXTDSA-N 1 0 416.588 0.991 20 0 HCADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605980302 1074047028 /nfs/dbraw/zinc/04/70/28/1074047028.db2.gz JJTAQPCILMOMIF-WMZOPIPTSA-N 1 0 416.588 0.991 20 0 HCADRO O=C(CN1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1)N1CCCCC1 ZINC000605980946 1074046966 /nfs/dbraw/zinc/04/69/66/1074046966.db2.gz NIGIEURQZAYUFO-IBGZPJMESA-N 1 0 421.586 0.827 20 0 HCADRO O=C(CN1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1)N1CCCCC1 ZINC000605980947 1074047037 /nfs/dbraw/zinc/04/70/37/1074047037.db2.gz NIGIEURQZAYUFO-LJQANCHMSA-N 1 0 421.586 0.827 20 0 HCADRO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605980985 1074047070 /nfs/dbraw/zinc/04/70/70/1074047070.db2.gz OARIZSCGMNVNFR-DOTOQJQBSA-N 1 0 402.561 0.601 20 0 HCADRO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605980987 1074046994 /nfs/dbraw/zinc/04/69/94/1074046994.db2.gz OARIZSCGMNVNFR-NVXWUHKLSA-N 1 0 402.561 0.601 20 0 HCADRO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605980989 1074046978 /nfs/dbraw/zinc/04/69/78/1074046978.db2.gz OARIZSCGMNVNFR-RDJZCZTQSA-N 1 0 402.561 0.601 20 0 HCADRO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605980990 1074046949 /nfs/dbraw/zinc/04/69/49/1074046949.db2.gz OARIZSCGMNVNFR-WBVHZDCISA-N 1 0 402.561 0.601 20 0 HCADRO CC(=O)N1CCN(C(=O)CCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC1 ZINC000605983498 1074047949 /nfs/dbraw/zinc/04/79/49/1074047949.db2.gz NEIVPXIVCMLDFF-UHFFFAOYSA-N 1 0 421.517 0.980 20 0 HCADRO CC(C)C[NH+]1CCN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 ZINC000605983748 1074048012 /nfs/dbraw/zinc/04/80/12/1074048012.db2.gz BFGYXDBYTCNQFT-UHFFFAOYSA-N 1 0 416.588 0.943 20 0 HCADRO C[C@H]1CC[N@H+](C)CCN1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605983809 1074047318 /nfs/dbraw/zinc/04/73/18/1074047318.db2.gz HAZJSZBOKADZGQ-HNNXBMFYSA-N 1 0 402.561 0.695 20 0 HCADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605983810 1074047362 /nfs/dbraw/zinc/04/73/62/1074047362.db2.gz HAZJSZBOKADZGQ-OAHLLOKOSA-N 1 0 402.561 0.695 20 0 HCADRO CC(C)[NH+]1CCN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 ZINC000605983829 1074048028 /nfs/dbraw/zinc/04/80/28/1074048028.db2.gz IKIQSCBANWYBQD-UHFFFAOYSA-N 1 0 402.561 0.695 20 0 HCADRO O=C(NC1CCN(S(=O)(=O)C2CCOCC2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000605984111 1074048332 /nfs/dbraw/zinc/04/83/32/1074048332.db2.gz LCZBRQOOAODMJN-UHFFFAOYSA-N 1 0 414.572 0.839 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605984127 1074048447 /nfs/dbraw/zinc/04/84/47/1074048447.db2.gz LGBAVGXYYNIQGT-UHFFFAOYSA-N 1 0 420.576 0.179 20 0 HCADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605984172 1074048379 /nfs/dbraw/zinc/04/83/79/1074048379.db2.gz LUEMWMUWZMZNKZ-INIZCTEOSA-N 1 0 416.588 0.943 20 0 HCADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605984175 1074048355 /nfs/dbraw/zinc/04/83/55/1074048355.db2.gz LUEMWMUWZMZNKZ-MRXNPFEDSA-N 1 0 416.588 0.943 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CC1 ZINC000605985226 1074048874 /nfs/dbraw/zinc/04/88/74/1074048874.db2.gz GPVLGQZJQHEVOU-UHFFFAOYSA-N 1 0 403.527 0.887 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000605985824 1074049109 /nfs/dbraw/zinc/04/91/09/1074049109.db2.gz ODOIJANONPNQKP-UHFFFAOYSA-N 1 0 403.531 0.040 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000605985856 1074048522 /nfs/dbraw/zinc/04/85/22/1074048522.db2.gz PWUFSXPJPPWUFL-KRWDZBQOSA-N 1 0 403.593 0.517 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000605985857 1074048298 /nfs/dbraw/zinc/04/82/98/1074048298.db2.gz PWUFSXPJPPWUFL-QGZVFWFLSA-N 1 0 403.593 0.517 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000605985879 1074048564 /nfs/dbraw/zinc/04/85/64/1074048564.db2.gz RPKISNVVIIBXID-MRXNPFEDSA-N 1 0 408.499 0.482 20 0 HCADRO O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605986035 1074048959 /nfs/dbraw/zinc/04/89/59/1074048959.db2.gz UZPKBBDNEYAMGE-DOTOQJQBSA-N 1 0 421.494 0.955 20 0 HCADRO O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605986043 1074049150 /nfs/dbraw/zinc/04/91/50/1074049150.db2.gz UZPKBBDNEYAMGE-NVXWUHKLSA-N 1 0 421.494 0.955 20 0 HCADRO O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605986044 1074049048 /nfs/dbraw/zinc/04/90/48/1074049048.db2.gz UZPKBBDNEYAMGE-RDJZCZTQSA-N 1 0 421.494 0.955 20 0 HCADRO O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605986046 1074048936 /nfs/dbraw/zinc/04/89/36/1074048936.db2.gz UZPKBBDNEYAMGE-WBVHZDCISA-N 1 0 421.494 0.955 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000605986431 1074049076 /nfs/dbraw/zinc/04/90/76/1074049076.db2.gz VPYGNDCNDXLSIU-UHFFFAOYSA-N 1 0 408.591 0.354 20 0 HCADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000605987634 1074049463 /nfs/dbraw/zinc/04/94/63/1074049463.db2.gz CKKQLJDZFTVALT-INIZCTEOSA-N 1 0 407.515 0.254 20 0 HCADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000605987635 1074049595 /nfs/dbraw/zinc/04/95/95/1074049595.db2.gz CKKQLJDZFTVALT-MRXNPFEDSA-N 1 0 407.515 0.254 20 0 HCADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000605988044 1074049444 /nfs/dbraw/zinc/04/94/44/1074049444.db2.gz KGSKUIVQZLJEHS-MOPGFXCFSA-N 1 0 409.575 0.825 20 0 HCADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000605988045 1074049575 /nfs/dbraw/zinc/04/95/75/1074049575.db2.gz KGSKUIVQZLJEHS-OALUTQOASA-N 1 0 409.575 0.825 20 0 HCADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000605988046 1074049947 /nfs/dbraw/zinc/04/99/47/1074049947.db2.gz KGSKUIVQZLJEHS-RBUKOAKNSA-N 1 0 409.575 0.825 20 0 HCADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000605988047 1074050122 /nfs/dbraw/zinc/05/01/22/1074050122.db2.gz KGSKUIVQZLJEHS-RTBURBONSA-N 1 0 409.575 0.825 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)cc1 ZINC000605988371 1074049333 /nfs/dbraw/zinc/04/93/33/1074049333.db2.gz MRIGBDXVOOFEOI-UHFFFAOYSA-N 1 0 403.483 0.644 20 0 HCADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000605988599 1074049353 /nfs/dbraw/zinc/04/93/53/1074049353.db2.gz OLOXGPJXYMKRBJ-UHFFFAOYSA-N 1 0 407.559 0.975 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 ZINC000605989558 1074050036 /nfs/dbraw/zinc/05/00/36/1074050036.db2.gz KPBDQQDMYKYLIX-UHFFFAOYSA-N 1 0 405.499 0.354 20 0 HCADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC000605989965 1074050077 /nfs/dbraw/zinc/05/00/77/1074050077.db2.gz YOJIFJWKSGSPRS-UHFFFAOYSA-N 1 0 415.494 0.507 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CCCCC1 ZINC000605992049 1074058408 /nfs/dbraw/zinc/05/84/08/1074058408.db2.gz QOVCNHAJSBKARM-UHFFFAOYSA-N 1 0 400.476 0.792 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1cccs1 ZINC000605992854 1074058400 /nfs/dbraw/zinc/05/84/00/1074058400.db2.gz XHZONUPCQMFVDM-CYBMUJFWSA-N 1 0 414.484 0.892 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1cccs1 ZINC000605992857 1074058445 /nfs/dbraw/zinc/05/84/45/1074058445.db2.gz XHZONUPCQMFVDM-ZDUSSCGKSA-N 1 0 414.484 0.892 20 0 HCADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000605993046 1074058928 /nfs/dbraw/zinc/05/89/28/1074058928.db2.gz FGNDNWLDEAJJID-UHFFFAOYSA-N 1 0 400.476 0.794 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1ccccc1 ZINC000605994227 1074059324 /nfs/dbraw/zinc/05/93/24/1074059324.db2.gz QMHDVZRXYKUDGZ-INIZCTEOSA-N 1 0 408.455 0.831 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1ccccc1 ZINC000605994228 1074059199 /nfs/dbraw/zinc/05/91/99/1074059199.db2.gz QMHDVZRXYKUDGZ-MRXNPFEDSA-N 1 0 408.455 0.831 20 0 HCADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000605994561 1074059298 /nfs/dbraw/zinc/05/92/98/1074059298.db2.gz ANEQREPNCOQNEC-HNNXBMFYSA-N 1 0 420.466 0.802 20 0 HCADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000605994564 1074059378 /nfs/dbraw/zinc/05/93/78/1074059378.db2.gz ANEQREPNCOQNEC-OAHLLOKOSA-N 1 0 420.466 0.802 20 0 HCADRO CCn1cc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)ccc1=O ZINC000605994705 1074059118 /nfs/dbraw/zinc/05/91/18/1074059118.db2.gz RAJGNHAIHWHCMZ-UHFFFAOYSA-N 1 0 411.506 0.741 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1OC ZINC000605995074 1074059871 /nfs/dbraw/zinc/05/98/71/1074059871.db2.gz KZSMAPHJLWNCMA-UHFFFAOYSA-N 1 0 400.501 0.852 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)[NH+](C)C)c1 ZINC000605995447 1074059985 /nfs/dbraw/zinc/05/99/85/1074059985.db2.gz TZLIKAOGBNKCTP-KRWDZBQOSA-N 1 0 420.491 0.700 20 0 HCADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)[NH+](C)C)c1 ZINC000605995450 1074059934 /nfs/dbraw/zinc/05/99/34/1074059934.db2.gz TZLIKAOGBNKCTP-QGZVFWFLSA-N 1 0 420.491 0.700 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000605995708 1074059166 /nfs/dbraw/zinc/05/91/66/1074059166.db2.gz LUZDKZMBYDLCBE-KRWDZBQOSA-N 1 0 416.503 0.972 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000605995710 1074059347 /nfs/dbraw/zinc/05/93/47/1074059347.db2.gz LUZDKZMBYDLCBE-QGZVFWFLSA-N 1 0 416.503 0.972 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2nnc3ccccn32)cc1 ZINC000605996188 1074060313 /nfs/dbraw/zinc/06/03/13/1074060313.db2.gz GUFGXIHZEDCAKR-UHFFFAOYSA-N 1 0 409.450 0.874 20 0 HCADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000605996481 1074059955 /nfs/dbraw/zinc/05/99/55/1074059955.db2.gz URPYZUGVKNNWDP-INIZCTEOSA-N 1 0 402.476 0.663 20 0 HCADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000605996483 1074059776 /nfs/dbraw/zinc/05/97/76/1074059776.db2.gz URPYZUGVKNNWDP-MRXNPFEDSA-N 1 0 402.476 0.663 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000605996974 1074060053 /nfs/dbraw/zinc/06/00/53/1074060053.db2.gz DBZNFGBVDHQSGZ-GFCCVEGCSA-N 1 0 400.476 0.792 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000605996975 1074059801 /nfs/dbraw/zinc/05/98/01/1074059801.db2.gz DBZNFGBVDHQSGZ-LBPRGKRZSA-N 1 0 400.476 0.792 20 0 HCADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cc1 ZINC000605997990 1074060471 /nfs/dbraw/zinc/06/04/71/1074060471.db2.gz HTUCWWYQSGOWMM-UHFFFAOYSA-N 1 0 408.455 0.790 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 ZINC000605998003 1074060958 /nfs/dbraw/zinc/06/09/58/1074060958.db2.gz IRQVZNKOAPIPGJ-HNNXBMFYSA-N 1 0 404.446 0.818 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 ZINC000605998007 1074060988 /nfs/dbraw/zinc/06/09/88/1074060988.db2.gz IRQVZNKOAPIPGJ-OAHLLOKOSA-N 1 0 404.446 0.818 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1S(N)(=O)=O ZINC000605998457 1074060938 /nfs/dbraw/zinc/06/09/38/1074060938.db2.gz NUOSGVIUOOHJAP-HNNXBMFYSA-N 1 0 412.512 0.054 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1S(N)(=O)=O ZINC000605998458 1074060846 /nfs/dbraw/zinc/06/08/46/1074060846.db2.gz NUOSGVIUOOHJAP-OAHLLOKOSA-N 1 0 412.512 0.054 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1OC ZINC000605999537 1074061239 /nfs/dbraw/zinc/06/12/39/1074061239.db2.gz KVWWQVHEZORMEJ-UHFFFAOYSA-N 1 0 412.512 0.997 20 0 HCADRO C[N@H+](CCCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000605999613 1074061352 /nfs/dbraw/zinc/06/13/52/1074061352.db2.gz NJXIIFBVZSGLNA-UHFFFAOYSA-N 1 0 404.492 0.911 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc1OC ZINC000606002290 1074062286 /nfs/dbraw/zinc/06/22/86/1074062286.db2.gz LGNQUPWDKKOVNN-UHFFFAOYSA-N 1 0 412.512 0.997 20 0 HCADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000606003247 1074062713 /nfs/dbraw/zinc/06/27/13/1074062713.db2.gz DBTNRVCYULDAGT-UHFFFAOYSA-N 1 0 410.540 0.911 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000606004319 1074063632 /nfs/dbraw/zinc/06/36/32/1074063632.db2.gz QRDGIZMAOFUUMD-RYUDHWBXSA-N 1 0 416.475 0.027 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000606004340 1074063499 /nfs/dbraw/zinc/06/34/99/1074063499.db2.gz QRDGIZMAOFUUMD-TXEJJXNPSA-N 1 0 416.475 0.027 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@@H](C)O1 ZINC000606004343 1074063432 /nfs/dbraw/zinc/06/34/32/1074063432.db2.gz QRDGIZMAOFUUMD-VXGBXAGGSA-N 1 0 416.475 0.027 20 0 HCADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000606004551 1074063169 /nfs/dbraw/zinc/06/31/69/1074063169.db2.gz VRBINQLXHCNOCT-UHFFFAOYSA-N 1 0 400.476 0.648 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)NCC(C)(C)N3CC[NH+](C)CC3)cc21 ZINC000606005115 1074064044 /nfs/dbraw/zinc/06/40/44/1074064044.db2.gz CTGJAYXHAPYLQK-UHFFFAOYSA-N 1 0 416.526 0.763 20 0 HCADRO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000606006072 1074064145 /nfs/dbraw/zinc/06/41/45/1074064145.db2.gz MRRXKFYXNUDGOP-IBGZPJMESA-N 1 0 403.527 0.996 20 0 HCADRO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000606006078 1074064166 /nfs/dbraw/zinc/06/41/66/1074064166.db2.gz MRRXKFYXNUDGOP-LJQANCHMSA-N 1 0 403.527 0.996 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)N1CC[NH+](C)CC1 ZINC000606006079 1074063853 /nfs/dbraw/zinc/06/38/53/1074063853.db2.gz MUARDZPWLBAUHL-GOSISDBHSA-N 1 0 417.489 0.733 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)N1CC[NH+](C)CC1 ZINC000606006088 1074064098 /nfs/dbraw/zinc/06/40/98/1074064098.db2.gz MUARDZPWLBAUHL-SFHVURJKSA-N 1 0 417.489 0.733 20 0 HCADRO CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1C ZINC000606006401 1074064450 /nfs/dbraw/zinc/06/44/50/1074064450.db2.gz IRSCARRUFUJTDY-CYBMUJFWSA-N 1 0 400.501 0.124 20 0 HCADRO CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1C ZINC000606006402 1074064364 /nfs/dbraw/zinc/06/43/64/1074064364.db2.gz IRSCARRUFUJTDY-ZDUSSCGKSA-N 1 0 400.501 0.124 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000606006422 1074064566 /nfs/dbraw/zinc/06/45/66/1074064566.db2.gz JPIXRUGTYLVFAE-AWEZNQCLSA-N 1 0 410.902 0.943 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000606006423 1074064436 /nfs/dbraw/zinc/06/44/36/1074064436.db2.gz JPIXRUGTYLVFAE-CQSZACIVSA-N 1 0 410.902 0.943 20 0 HCADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C(=O)NCCNS(C)(=O)=O)ccc21 ZINC000606006447 1074064409 /nfs/dbraw/zinc/06/44/09/1074064409.db2.gz MXVXBONCSYLBIO-UHFFFAOYSA-N 1 0 423.539 0.587 20 0 HCADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000606006765 1074064422 /nfs/dbraw/zinc/06/44/22/1074064422.db2.gz LXPNAKVQBYMGLP-HNNXBMFYSA-N 1 0 411.524 0.897 20 0 HCADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000606006766 1074064462 /nfs/dbraw/zinc/06/44/62/1074064462.db2.gz LXPNAKVQBYMGLP-OAHLLOKOSA-N 1 0 411.524 0.897 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000606007004 1074064473 /nfs/dbraw/zinc/06/44/73/1074064473.db2.gz OALSMUDPGOMDKA-HNNXBMFYSA-N 1 0 403.439 0.579 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000606007007 1074064999 /nfs/dbraw/zinc/06/49/99/1074064999.db2.gz OALSMUDPGOMDKA-OAHLLOKOSA-N 1 0 403.439 0.579 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000606007059 1074064858 /nfs/dbraw/zinc/06/48/58/1074064858.db2.gz VUSFMLVDYLKRSN-UHFFFAOYSA-N 1 0 403.462 0.487 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606007184 1074064968 /nfs/dbraw/zinc/06/49/68/1074064968.db2.gz YOWHYYCRTGKKIX-UHFFFAOYSA-N 1 0 421.567 0.735 20 0 HCADRO Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000606007204 1074065044 /nfs/dbraw/zinc/06/50/44/1074065044.db2.gz YSUCOTQIGXHREV-UHFFFAOYSA-N 1 0 414.510 0.967 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606007270 1074064986 /nfs/dbraw/zinc/06/49/86/1074064986.db2.gz DPKMJDQZEQOXFL-UHFFFAOYSA-N 1 0 421.567 0.735 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000606007585 1074065015 /nfs/dbraw/zinc/06/50/15/1074065015.db2.gz XZOIWZAQBVNBCQ-AWEZNQCLSA-N 1 0 418.473 0.788 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000606007588 1074065005 /nfs/dbraw/zinc/06/50/05/1074065005.db2.gz XZOIWZAQBVNBCQ-CQSZACIVSA-N 1 0 418.473 0.788 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)cc21 ZINC000606008093 1074065317 /nfs/dbraw/zinc/06/53/17/1074065317.db2.gz RZOQKHWPUMXDON-UHFFFAOYSA-N 1 0 416.526 0.763 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000606008397 1074065240 /nfs/dbraw/zinc/06/52/40/1074065240.db2.gz XQYAPKUYQNJDPF-UHFFFAOYSA-N 1 0 403.462 0.487 20 0 HCADRO CCn1cc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)ccc1=O ZINC000606009422 1074065423 /nfs/dbraw/zinc/06/54/23/1074065423.db2.gz URWJGUXZHYMWDP-UHFFFAOYSA-N 1 0 412.494 0.660 20 0 HCADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000606009621 1074065456 /nfs/dbraw/zinc/06/54/56/1074065456.db2.gz GIRKDMFRNBUWFN-UHFFFAOYSA-N 1 0 416.503 0.837 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606009650 1074065335 /nfs/dbraw/zinc/06/53/35/1074065335.db2.gz IPMPETYPYQXZDD-UHFFFAOYSA-N 1 0 407.540 0.346 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)CC1 ZINC000606010034 1074065201 /nfs/dbraw/zinc/06/52/01/1074065201.db2.gz OLVAMBZBORBJHZ-UHFFFAOYSA-N 1 0 416.526 0.765 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)CC1 ZINC000606010379 1074065898 /nfs/dbraw/zinc/06/58/98/1074065898.db2.gz SHHJZFCWFXPOGR-UHFFFAOYSA-N 1 0 414.510 0.969 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)CC1 ZINC000606010444 1074065879 /nfs/dbraw/zinc/06/58/79/1074065879.db2.gz UDIKUMJNDJGDNF-UHFFFAOYSA-N 1 0 402.499 0.375 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 ZINC000606010487 1074065766 /nfs/dbraw/zinc/06/57/66/1074065766.db2.gz UWYVIBWFOACKMO-GOSISDBHSA-N 1 0 417.554 0.772 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 ZINC000606010491 1074065942 /nfs/dbraw/zinc/06/59/42/1074065942.db2.gz UWYVIBWFOACKMO-SFHVURJKSA-N 1 0 417.554 0.772 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000606010592 1074065849 /nfs/dbraw/zinc/06/58/49/1074065849.db2.gz XNBVXOWKQZWZDF-BETUJISGSA-N 1 0 414.503 0.896 20 0 HCADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000606010594 1074065710 /nfs/dbraw/zinc/06/57/10/1074065710.db2.gz XNBVXOWKQZWZDF-CHWSQXEVSA-N 1 0 414.503 0.896 20 0 HCADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000606010596 1074065935 /nfs/dbraw/zinc/06/59/35/1074065935.db2.gz XNBVXOWKQZWZDF-STQMWFEESA-N 1 0 414.503 0.896 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)cc1 ZINC000606011070 1074065919 /nfs/dbraw/zinc/06/59/19/1074065919.db2.gz DZOULGCTPYVWJS-UHFFFAOYSA-N 1 0 411.462 0.931 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1OC ZINC000606011374 1074066175 /nfs/dbraw/zinc/06/61/75/1074066175.db2.gz ZRDJSKZHTCGUTN-CYBMUJFWSA-N 1 0 412.512 0.996 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)cc1OC ZINC000606011375 1074066482 /nfs/dbraw/zinc/06/64/82/1074066482.db2.gz ZRDJSKZHTCGUTN-ZDUSSCGKSA-N 1 0 412.512 0.996 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606011744 1074066215 /nfs/dbraw/zinc/06/62/15/1074066215.db2.gz ORODMVSJEKNKOU-HNNXBMFYSA-N 1 0 421.567 0.735 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606011745 1074066466 /nfs/dbraw/zinc/06/64/66/1074066466.db2.gz ORODMVSJEKNKOU-OAHLLOKOSA-N 1 0 421.567 0.735 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000606011979 1074066307 /nfs/dbraw/zinc/06/63/07/1074066307.db2.gz LWWJFGNAMRDYJY-NEPJUHHUSA-N 1 0 400.476 0.648 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000606011982 1074066497 /nfs/dbraw/zinc/06/64/97/1074066497.db2.gz LWWJFGNAMRDYJY-NWDGAFQWSA-N 1 0 400.476 0.648 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000606011989 1074066235 /nfs/dbraw/zinc/06/62/35/1074066235.db2.gz LWWJFGNAMRDYJY-VXGBXAGGSA-N 1 0 400.476 0.648 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[N@@H+]1CCCC[C@H]1C ZINC000606012023 1074066526 /nfs/dbraw/zinc/06/65/26/1074066526.db2.gz RBJIEGDTECBCLE-NEPJUHHUSA-N 1 0 400.476 0.791 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[N@@H+]1CCCC[C@@H]1C ZINC000606012033 1074066436 /nfs/dbraw/zinc/06/64/36/1074066436.db2.gz RBJIEGDTECBCLE-NWDGAFQWSA-N 1 0 400.476 0.791 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[N@@H+]1CCCC[C@@H]1C ZINC000606012035 1074066259 /nfs/dbraw/zinc/06/62/59/1074066259.db2.gz RBJIEGDTECBCLE-RYUDHWBXSA-N 1 0 400.476 0.791 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[N@@H+]1CCCC[C@H]1C ZINC000606012037 1074066554 /nfs/dbraw/zinc/06/65/54/1074066554.db2.gz RBJIEGDTECBCLE-VXGBXAGGSA-N 1 0 400.476 0.791 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000606012136 1074066985 /nfs/dbraw/zinc/06/69/85/1074066985.db2.gz TZWDNAQOEQKAOK-AWEZNQCLSA-N 1 0 403.462 0.487 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000606012137 1074066836 /nfs/dbraw/zinc/06/68/36/1074066836.db2.gz TZWDNAQOEQKAOK-CQSZACIVSA-N 1 0 403.462 0.487 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)CC1 ZINC000606012555 1074052437 /nfs/dbraw/zinc/05/24/37/1074052437.db2.gz ZBAQKGFLSZFUCY-INIZCTEOSA-N 1 0 416.526 0.763 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)CC1 ZINC000606012556 1074052344 /nfs/dbraw/zinc/05/23/44/1074052344.db2.gz ZBAQKGFLSZFUCY-MRXNPFEDSA-N 1 0 416.526 0.763 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000606012660 1074051844 /nfs/dbraw/zinc/05/18/44/1074051844.db2.gz AKEJNUSJMQFCSA-UHFFFAOYSA-N 1 0 417.489 0.879 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000606012678 1074051953 /nfs/dbraw/zinc/05/19/53/1074051953.db2.gz WIILGAWQYCVZSH-CABCVRRESA-N 1 0 410.540 0.911 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000606012680 1074051868 /nfs/dbraw/zinc/05/18/68/1074051868.db2.gz WIILGAWQYCVZSH-GJZGRUSLSA-N 1 0 410.540 0.911 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000606012681 1074052642 /nfs/dbraw/zinc/05/26/42/1074052642.db2.gz WIILGAWQYCVZSH-HUUCEWRRSA-N 1 0 410.540 0.911 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000606012683 1074052370 /nfs/dbraw/zinc/05/23/70/1074052370.db2.gz WIILGAWQYCVZSH-LSDHHAIUSA-N 1 0 410.540 0.911 20 0 HCADRO CCc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000606013372 1074052456 /nfs/dbraw/zinc/05/24/56/1074052456.db2.gz JATLWSUFIQBUCF-UHFFFAOYSA-N 1 0 412.512 0.064 20 0 HCADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)c1C ZINC000606013485 1074052602 /nfs/dbraw/zinc/05/26/02/1074052602.db2.gz LFIYDQBPBZSDAH-UHFFFAOYSA-N 1 0 412.512 0.118 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)cc21 ZINC000606014234 1074053527 /nfs/dbraw/zinc/05/35/27/1074053527.db2.gz UGODVKWOFOMKMJ-UHFFFAOYSA-N 1 0 403.483 0.850 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)cc1 ZINC000606014565 1074053131 /nfs/dbraw/zinc/05/31/31/1074053131.db2.gz HTXJRLSPGYKYSQ-UHFFFAOYSA-N 1 0 411.462 0.931 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000606015444 1074054089 /nfs/dbraw/zinc/05/40/89/1074054089.db2.gz MFNVNBADKQCFKX-CYBMUJFWSA-N 1 0 424.523 0.996 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000606015445 1074053849 /nfs/dbraw/zinc/05/38/49/1074053849.db2.gz MFNVNBADKQCFKX-ZDUSSCGKSA-N 1 0 424.523 0.996 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)cc1S(N)(=O)=O ZINC000606015519 1074053505 /nfs/dbraw/zinc/05/35/05/1074053505.db2.gz DENBPQMZPMZILM-UHFFFAOYSA-N 1 0 404.492 0.959 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[NH+](C)C ZINC000606020126 1074056243 /nfs/dbraw/zinc/05/62/43/1074056243.db2.gz SQTUNCFTIMWPNX-CYBMUJFWSA-N 1 0 402.451 0.910 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[NH+](C)C ZINC000606020128 1074056281 /nfs/dbraw/zinc/05/62/81/1074056281.db2.gz SQTUNCFTIMWPNX-ZDUSSCGKSA-N 1 0 402.451 0.910 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl)[NH+](C)C ZINC000606020338 1074056619 /nfs/dbraw/zinc/05/66/19/1074056619.db2.gz XJCRZAWQPXWCBO-LLVKDONJSA-N 1 0 402.904 0.885 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl)[NH+](C)C ZINC000606020340 1074056775 /nfs/dbraw/zinc/05/67/75/1074056775.db2.gz XJCRZAWQPXWCBO-NSHDSACASA-N 1 0 402.904 0.885 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)[NH+](C)C ZINC000606020345 1074056654 /nfs/dbraw/zinc/05/66/54/1074056654.db2.gz XSLXWLIYXIAARG-HNNXBMFYSA-N 1 0 415.494 0.505 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)[NH+](C)C ZINC000606020347 1074056767 /nfs/dbraw/zinc/05/67/67/1074056767.db2.gz XSLXWLIYXIAARG-OAHLLOKOSA-N 1 0 415.494 0.505 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1)[NH+](C)C ZINC000606020389 1074056675 /nfs/dbraw/zinc/05/66/75/1074056675.db2.gz ZHJFBBRCFLQZKQ-INIZCTEOSA-N 1 0 401.511 0.978 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1)[NH+](C)C ZINC000606020390 1074056709 /nfs/dbraw/zinc/05/67/09/1074056709.db2.gz ZHJFBBRCFLQZKQ-MRXNPFEDSA-N 1 0 401.511 0.978 20 0 HCADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606020594 1074056160 /nfs/dbraw/zinc/05/61/60/1074056160.db2.gz SOPOBPCTYWIUJH-OAHLLOKOSA-N 1 0 405.499 0.352 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc1 ZINC000606020696 1074056647 /nfs/dbraw/zinc/05/66/47/1074056647.db2.gz AXJITKUTPRNUDN-UHFFFAOYSA-N 1 0 417.388 0.310 20 0 HCADRO CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000606025869 1074079721 /nfs/dbraw/zinc/07/97/21/1074079721.db2.gz IBIPCHZIMMRDSC-UHFFFAOYSA-N 1 0 417.510 0.842 20 0 HCADRO CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000606026021 1074066825 /nfs/dbraw/zinc/06/68/25/1074066825.db2.gz XOZSBCJTADZAHL-UHFFFAOYSA-N 1 0 417.510 0.842 20 0 HCADRO CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606026217 1074067264 /nfs/dbraw/zinc/06/72/64/1074067264.db2.gz JNEUSGBOSMLNBM-UHFFFAOYSA-N 1 0 405.499 0.888 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000606026764 1074066876 /nfs/dbraw/zinc/06/68/76/1074066876.db2.gz SPFFKHBTUKOBBP-UHFFFAOYSA-N 1 0 415.494 0.596 20 0 HCADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000606026997 1074066762 /nfs/dbraw/zinc/06/67/62/1074066762.db2.gz RRYMJXGOJLOWKM-UHFFFAOYSA-N 1 0 404.492 0.863 20 0 HCADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000606027603 1074067687 /nfs/dbraw/zinc/06/76/87/1074067687.db2.gz LKJLMVWUGAFKSR-UHFFFAOYSA-N 1 0 407.427 0.155 20 0 HCADRO CCc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1S(N)(=O)=O ZINC000606027937 1074067435 /nfs/dbraw/zinc/06/74/35/1074067435.db2.gz QQWBQPZSYSYJPZ-UHFFFAOYSA-N 1 0 417.491 0.579 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1S(N)(=O)=O ZINC000606028019 1074067442 /nfs/dbraw/zinc/06/74/42/1074067442.db2.gz RSNMKMNFQYAWMN-UHFFFAOYSA-N 1 0 403.464 0.325 20 0 HCADRO CC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000606028210 1074068158 /nfs/dbraw/zinc/06/81/58/1074068158.db2.gz USEGKPFAQULLLL-UHFFFAOYSA-N 1 0 403.483 0.596 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000606028232 1074068128 /nfs/dbraw/zinc/06/81/28/1074068128.db2.gz WFIRSLRSCAAPDU-UHFFFAOYSA-N 1 0 417.491 0.418 20 0 HCADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000606028333 1074067928 /nfs/dbraw/zinc/06/79/28/1074067928.db2.gz XKUDCYWAEIJRBQ-UHFFFAOYSA-N 1 0 417.491 0.633 20 0 HCADRO O=C(Nc1ccc(-n2cncn2)c(F)c1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000606028795 1074067645 /nfs/dbraw/zinc/06/76/45/1074067645.db2.gz BJYCFCNBYGLUMZ-UHFFFAOYSA-N 1 0 415.473 0.585 20 0 HCADRO Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN(CC[NH+]4CCCC4)CC3)c2)n[nH]1 ZINC000606028908 1074068084 /nfs/dbraw/zinc/06/80/84/1074068084.db2.gz HOZOZDBJFDCUIH-UHFFFAOYSA-N 1 0 411.510 0.959 20 0 HCADRO Cc1nc(-c2ccc(NC(=O)C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cc2)n[nH]1 ZINC000606029085 1074068917 /nfs/dbraw/zinc/06/89/17/1074068917.db2.gz LKQZQDKHOCTHJP-UHFFFAOYSA-N 1 0 411.510 0.959 20 0 HCADRO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000606029255 1074068961 /nfs/dbraw/zinc/06/89/61/1074068961.db2.gz WSPBWSGLLSPPSZ-UHFFFAOYSA-N 1 0 401.511 0.848 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1S(N)(=O)=O ZINC000606030855 1074069530 /nfs/dbraw/zinc/06/95/30/1074069530.db2.gz HBDDNTXAXUSELS-INIZCTEOSA-N 1 0 424.523 0.294 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1S(N)(=O)=O ZINC000606031279 1074070323 /nfs/dbraw/zinc/07/03/23/1074070323.db2.gz HBDDNTXAXUSELS-MRXNPFEDSA-N 1 0 424.523 0.294 20 0 HCADRO CCn1cc(NC(=O)C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1=O ZINC000606031342 1074070420 /nfs/dbraw/zinc/07/04/20/1074070420.db2.gz JDNICJQEPVYACY-UHFFFAOYSA-N 1 0 411.506 0.871 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000606032247 1074071325 /nfs/dbraw/zinc/07/13/25/1074071325.db2.gz XQIDSBCATRHHFE-UHFFFAOYSA-N 1 0 420.491 0.529 20 0 HCADRO O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000606032407 1074071274 /nfs/dbraw/zinc/07/12/74/1074071274.db2.gz UTOBEMUGJSMMRS-HNNXBMFYSA-N 1 0 417.445 0.453 20 0 HCADRO O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000606032408 1074071236 /nfs/dbraw/zinc/07/12/36/1074071236.db2.gz UTOBEMUGJSMMRS-OAHLLOKOSA-N 1 0 417.445 0.453 20 0 HCADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)COC)CC2)cc1 ZINC000606032433 1074070708 /nfs/dbraw/zinc/07/07/08/1074070708.db2.gz WEXVGDWPKLUZOH-UHFFFAOYSA-N 1 0 420.510 0.663 20 0 HCADRO O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000606032441 1074070873 /nfs/dbraw/zinc/07/08/73/1074070873.db2.gz WJKPZHNEZBCXGV-SFHVURJKSA-N 1 0 412.494 0.978 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2cccnc2-n2cncn2)cc1 ZINC000606032929 1074070860 /nfs/dbraw/zinc/07/08/60/1074070860.db2.gz HGZIRXLNQDWBNB-UHFFFAOYSA-N 1 0 409.450 0.858 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2cccnc2-n2cncn2)c1 ZINC000606032989 1074070811 /nfs/dbraw/zinc/07/08/11/1074070811.db2.gz LCVYCKGQQIDRMR-UHFFFAOYSA-N 1 0 409.450 0.858 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)Nc2cnc(C)nc2)CC1 ZINC000606033326 1074071051 /nfs/dbraw/zinc/07/10/51/1074071051.db2.gz IQPHEFUDVVGKQS-UHFFFAOYSA-N 1 0 404.515 0.810 20 0 HCADRO CCc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1S(N)(=O)=O ZINC000606034034 1074071590 /nfs/dbraw/zinc/07/15/90/1074071590.db2.gz MSJKZFGSSMDULM-UHFFFAOYSA-N 1 0 408.524 0.922 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000606034171 1074072066 /nfs/dbraw/zinc/07/20/66/1074072066.db2.gz SBUTWTZSGXNJIU-UHFFFAOYSA-N 1 0 408.524 0.761 20 0 HCADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000606034323 1074072016 /nfs/dbraw/zinc/07/20/16/1074072016.db2.gz UNLIHJMFTNAEMA-UHFFFAOYSA-N 1 0 414.503 0.992 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1S(N)(=O)=O ZINC000606034477 1074071650 /nfs/dbraw/zinc/07/16/50/1074071650.db2.gz VYZQDOKUOUFTGE-UHFFFAOYSA-N 1 0 424.523 0.152 20 0 HCADRO CCc1cc(NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n(C)n1 ZINC000606034939 1074071755 /nfs/dbraw/zinc/07/17/55/1074071755.db2.gz OMTRDDYAOWKTMN-UHFFFAOYSA-N 1 0 418.542 0.762 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n(C)n1 ZINC000606035092 1074072485 /nfs/dbraw/zinc/07/24/85/1074072485.db2.gz RUUJNYZEMNTTFQ-UHFFFAOYSA-N 1 0 404.515 0.508 20 0 HCADRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000606035782 1074072215 /nfs/dbraw/zinc/07/22/15/1074072215.db2.gz IBLGBZXUBVSAOC-UHFFFAOYSA-N 1 0 402.495 0.959 20 0 HCADRO O=C(Nc1ccc(-n2cncn2)c(F)c1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000606035864 1074072197 /nfs/dbraw/zinc/07/21/97/1074072197.db2.gz LSJSDDXHXPADGU-UHFFFAOYSA-N 1 0 416.457 0.916 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1OC ZINC000606036196 1074073571 /nfs/dbraw/zinc/07/35/71/1074073571.db2.gz KYNVRJDLINFVHW-UHFFFAOYSA-N 1 0 412.512 0.948 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000606036395 1074073012 /nfs/dbraw/zinc/07/30/12/1074073012.db2.gz IDSZGNXVBWEENJ-UHFFFAOYSA-N 1 0 408.524 0.665 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000606037970 1074073410 /nfs/dbraw/zinc/07/34/10/1074073410.db2.gz GZPHSBMQQQCGKN-KRWDZBQOSA-N 1 0 408.524 0.761 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000606037972 1074073487 /nfs/dbraw/zinc/07/34/87/1074073487.db2.gz GZPHSBMQQQCGKN-QGZVFWFLSA-N 1 0 408.524 0.761 20 0 HCADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1C ZINC000606038440 1074074474 /nfs/dbraw/zinc/07/44/74/1074074474.db2.gz JSRSIWIUOAWXTP-HNNXBMFYSA-N 1 0 408.524 0.976 20 0 HCADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000606038441 1074074300 /nfs/dbraw/zinc/07/43/00/1074074300.db2.gz JSRSIWIUOAWXTP-OAHLLOKOSA-N 1 0 408.524 0.976 20 0 HCADRO CCc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1S(N)(=O)=O ZINC000606039044 1074074745 /nfs/dbraw/zinc/07/47/45/1074074745.db2.gz RVWLWXJHTJBBLP-INIZCTEOSA-N 1 0 408.524 0.922 20 0 HCADRO CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1S(N)(=O)=O ZINC000606039045 1074074800 /nfs/dbraw/zinc/07/48/00/1074074800.db2.gz RVWLWXJHTJBBLP-MRXNPFEDSA-N 1 0 408.524 0.922 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC000606040505 1074075201 /nfs/dbraw/zinc/07/52/01/1074075201.db2.gz KKCBSWIZFMRWIL-KRWDZBQOSA-N 1 0 410.540 0.911 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC000606040509 1074075125 /nfs/dbraw/zinc/07/51/25/1074075125.db2.gz KKCBSWIZFMRWIL-QGZVFWFLSA-N 1 0 410.540 0.911 20 0 HCADRO COCCn1cc(NC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cn1 ZINC000606041035 1074075233 /nfs/dbraw/zinc/07/52/33/1074075233.db2.gz XWEACCVWWFFCAP-UHFFFAOYSA-N 1 0 402.455 0.997 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[NH+]1CCCC1 ZINC000606041038 1074075228 /nfs/dbraw/zinc/07/52/28/1074075228.db2.gz XZPDJKUZDFFSID-HNNXBMFYSA-N 1 0 400.476 0.648 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[NH+]1CCCC1 ZINC000606041039 1074075153 /nfs/dbraw/zinc/07/51/53/1074075153.db2.gz XZPDJKUZDFFSID-OAHLLOKOSA-N 1 0 400.476 0.648 20 0 HCADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000606041410 1074075597 /nfs/dbraw/zinc/07/55/97/1074075597.db2.gz IUOLHRXQOZIESZ-UHFFFAOYSA-N 1 0 400.476 0.602 20 0 HCADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000606041946 1074075210 /nfs/dbraw/zinc/07/52/10/1074075210.db2.gz YDMHQIUQGVUNJM-UHFFFAOYSA-N 1 0 410.540 0.865 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000606042219 1074075904 /nfs/dbraw/zinc/07/59/04/1074075904.db2.gz JUBUWVRFYXIUFQ-INIZCTEOSA-N 1 0 404.492 0.562 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000606042220 1074075987 /nfs/dbraw/zinc/07/59/87/1074075987.db2.gz JUBUWVRFYXIUFQ-MRXNPFEDSA-N 1 0 404.492 0.562 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)Cc1ccccc1 ZINC000606044596 1074076404 /nfs/dbraw/zinc/07/64/04/1074076404.db2.gz FJRNVSSPUDGBAY-UHFFFAOYSA-N 1 0 418.519 0.923 20 0 HCADRO CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000606044779 1074075936 /nfs/dbraw/zinc/07/59/36/1074075936.db2.gz NUOJDVIDOIAFNG-UHFFFAOYSA-N 1 0 417.510 0.986 20 0 HCADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047103 1074076852 /nfs/dbraw/zinc/07/68/52/1074076852.db2.gz FEHNPTJIKHZJGW-FRRDWIJNSA-N 1 0 414.503 0.894 20 0 HCADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047106 1074076671 /nfs/dbraw/zinc/07/66/71/1074076671.db2.gz FEHNPTJIKHZJGW-JHJVBQTASA-N 1 0 414.503 0.894 20 0 HCADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047110 1074076847 /nfs/dbraw/zinc/07/68/47/1074076847.db2.gz FEHNPTJIKHZJGW-UPJWGTAASA-N 1 0 414.503 0.894 20 0 HCADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047113 1074076790 /nfs/dbraw/zinc/07/67/90/1074076790.db2.gz FEHNPTJIKHZJGW-XQQFMLRXSA-N 1 0 414.503 0.894 20 0 HCADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047996 1074076632 /nfs/dbraw/zinc/07/66/32/1074076632.db2.gz RBKHMNVTOHOTKI-NEPJUHHUSA-N 1 0 400.476 0.648 20 0 HCADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047997 1074076800 /nfs/dbraw/zinc/07/68/00/1074076800.db2.gz RBKHMNVTOHOTKI-NWDGAFQWSA-N 1 0 400.476 0.648 20 0 HCADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047998 1074076722 /nfs/dbraw/zinc/07/67/22/1074076722.db2.gz RBKHMNVTOHOTKI-RYUDHWBXSA-N 1 0 400.476 0.648 20 0 HCADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047999 1074076829 /nfs/dbraw/zinc/07/68/29/1074076829.db2.gz RBKHMNVTOHOTKI-VXGBXAGGSA-N 1 0 400.476 0.648 20 0 HCADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000606052962 1074078186 /nfs/dbraw/zinc/07/81/86/1074078186.db2.gz KEMIDMNFXZBNOP-UHFFFAOYSA-N 1 0 412.512 0.116 20 0 HCADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606053109 1074078038 /nfs/dbraw/zinc/07/80/38/1074078038.db2.gz OPUCWSUGVZVFMZ-UHFFFAOYSA-N 1 0 408.524 0.820 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1OC ZINC000606053327 1074078395 /nfs/dbraw/zinc/07/83/95/1074078395.db2.gz COIOWTUINFWBRT-GFCCVEGCSA-N 1 0 400.501 0.852 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1OC ZINC000606053328 1074078630 /nfs/dbraw/zinc/07/86/30/1074078630.db2.gz COIOWTUINFWBRT-LBPRGKRZSA-N 1 0 400.501 0.852 20 0 HCADRO CCc1ccc(NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)cc1S(N)(=O)=O ZINC000606053471 1074078587 /nfs/dbraw/zinc/07/85/87/1074078587.db2.gz SWPTZXDXWILABC-UHFFFAOYSA-N 1 0 412.512 0.062 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)NC3CC[NH+](CCOC)CC3)cc21 ZINC000606053541 1074078483 /nfs/dbraw/zinc/07/84/83/1074078483.db2.gz ZYGGKHMJSXFHDO-UHFFFAOYSA-N 1 0 403.483 0.848 20 0 HCADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000606053969 1074078058 /nfs/dbraw/zinc/07/80/58/1074078058.db2.gz PSXWQKVGTNDLSA-UHFFFAOYSA-N 1 0 408.524 0.997 20 0 HCADRO CCN1CCc2ccc(NC(=O)C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)cc21 ZINC000606056655 1074079328 /nfs/dbraw/zinc/07/93/28/1074079328.db2.gz OJEOOPQYGVJDHR-UHFFFAOYSA-N 1 0 415.538 0.924 20 0 HCADRO CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606056970 1074078917 /nfs/dbraw/zinc/07/89/17/1074078917.db2.gz XYICMMXUFVENDE-KBPBESRZSA-N 1 0 405.499 0.935 20 0 HCADRO CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606056973 1074078820 /nfs/dbraw/zinc/07/88/20/1074078820.db2.gz XYICMMXUFVENDE-KGLIPLIRSA-N 1 0 405.499 0.935 20 0 HCADRO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606056975 1074079288 /nfs/dbraw/zinc/07/92/88/1074079288.db2.gz XYICMMXUFVENDE-UONOGXRCSA-N 1 0 405.499 0.935 20 0 HCADRO CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606056978 1074079274 /nfs/dbraw/zinc/07/92/74/1074079274.db2.gz XYICMMXUFVENDE-ZIAGYGMSSA-N 1 0 405.499 0.935 20 0 HCADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000606057228 1074092884 /nfs/dbraw/zinc/09/28/84/1074092884.db2.gz GLYYAPDJOQJLHY-UHFFFAOYSA-N 1 0 400.476 0.744 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCNC(=O)C(C)(C)C)cc1 ZINC000606059971 1074093418 /nfs/dbraw/zinc/09/34/18/1074093418.db2.gz DRQSCDVUDAQXMA-UHFFFAOYSA-N 1 0 405.499 0.794 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000606060098 1074093747 /nfs/dbraw/zinc/09/37/47/1074093747.db2.gz LPWRIRGVFOIOAQ-UHFFFAOYSA-N 1 0 420.491 0.529 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)NC2CCCC2)cc1 ZINC000606060142 1074093914 /nfs/dbraw/zinc/09/39/14/1074093914.db2.gz NDJVZPUMGGBOFK-UHFFFAOYSA-N 1 0 403.483 0.690 20 0 HCADRO CCn1cc(NC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1=O ZINC000606060564 1074094263 /nfs/dbraw/zinc/09/42/63/1074094263.db2.gz IGURHJOQDINUEF-CALCHBBNSA-N 1 0 403.527 0.824 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000606060653 1074094412 /nfs/dbraw/zinc/09/44/12/1074094412.db2.gz ZYNDMJNUQYZFHM-UHFFFAOYSA-N 1 0 409.450 0.858 20 0 HCADRO CCn1cc(NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1=O ZINC000606061046 1074093984 /nfs/dbraw/zinc/09/39/84/1074093984.db2.gz IGURHJOQDINUEF-IAGOWNOFSA-N 1 0 403.527 0.824 20 0 HCADRO CCn1cc(NC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1=O ZINC000606061047 1074093799 /nfs/dbraw/zinc/09/37/99/1074093799.db2.gz IGURHJOQDINUEF-IRXDYDNUSA-N 1 0 403.527 0.824 20 0 HCADRO C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCO1 ZINC000606061623 1074094753 /nfs/dbraw/zinc/09/47/53/1074094753.db2.gz ILAAQQQCVIIHDJ-HNNXBMFYSA-N 1 0 405.499 0.352 20 0 HCADRO C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCO1 ZINC000606061627 1074094817 /nfs/dbraw/zinc/09/48/17/1074094817.db2.gz ILAAQQQCVIIHDJ-OAHLLOKOSA-N 1 0 405.499 0.352 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1S(N)(=O)=O ZINC000606062149 1074095107 /nfs/dbraw/zinc/09/51/07/1074095107.db2.gz ULNWLROAXPPMGA-HNNXBMFYSA-N 1 0 412.512 0.150 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1S(N)(=O)=O ZINC000606062151 1074095291 /nfs/dbraw/zinc/09/52/91/1074095291.db2.gz ULNWLROAXPPMGA-OAHLLOKOSA-N 1 0 412.512 0.150 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000606062165 1074095174 /nfs/dbraw/zinc/09/51/74/1074095174.db2.gz UZVJWSFUKSEAQG-HNNXBMFYSA-N 1 0 404.446 0.914 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000606062167 1074095331 /nfs/dbraw/zinc/09/53/31/1074095331.db2.gz UZVJWSFUKSEAQG-OAHLLOKOSA-N 1 0 404.446 0.914 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000606064507 1074080742 /nfs/dbraw/zinc/08/07/42/1074080742.db2.gz CNOOVSMIFWGUCF-HNNXBMFYSA-N 1 0 404.515 0.772 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000606064511 1074080694 /nfs/dbraw/zinc/08/06/94/1074080694.db2.gz CNOOVSMIFWGUCF-OAHLLOKOSA-N 1 0 404.515 0.772 20 0 HCADRO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000606065119 1074081188 /nfs/dbraw/zinc/08/11/88/1074081188.db2.gz KVRBUVWUNICBBP-GOSISDBHSA-N 1 0 417.510 0.667 20 0 HCADRO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000606065121 1074081106 /nfs/dbraw/zinc/08/11/06/1074081106.db2.gz KVRBUVWUNICBBP-SFHVURJKSA-N 1 0 417.510 0.667 20 0 HCADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000606066811 1074081285 /nfs/dbraw/zinc/08/12/85/1074081285.db2.gz DBFVEYZWTBKSKG-UHFFFAOYSA-N 1 0 404.446 0.962 20 0 HCADRO Cn1cc(CCCNC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cn1 ZINC000606067507 1074081758 /nfs/dbraw/zinc/08/17/58/1074081758.db2.gz NEHCRLFHPLIYQB-UHFFFAOYSA-N 1 0 400.483 0.998 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000606069797 1074082161 /nfs/dbraw/zinc/08/21/61/1074082161.db2.gz CNRMTGMRVLXOJQ-UHFFFAOYSA-N 1 0 424.509 0.801 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)cc1 ZINC000606069928 1074082131 /nfs/dbraw/zinc/08/21/31/1074082131.db2.gz MRCFGHQFFOIJGY-UHFFFAOYSA-N 1 0 405.499 0.936 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n(C(C)(C)C)n1 ZINC000606070067 1074082519 /nfs/dbraw/zinc/08/25/19/1074082519.db2.gz CBVBWJIRDPJOAH-UHFFFAOYSA-N 1 0 404.515 0.652 20 0 HCADRO Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000606070100 1074082649 /nfs/dbraw/zinc/08/26/49/1074082649.db2.gz DCRYAHSDUJQWTQ-UHFFFAOYSA-N 1 0 418.542 0.714 20 0 HCADRO Cc1noc(C)c1NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000606070255 1074082673 /nfs/dbraw/zinc/08/26/73/1074082673.db2.gz HSHPBKMFANTNOV-UHFFFAOYSA-N 1 0 401.471 0.739 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)cc1 ZINC000606070372 1074082475 /nfs/dbraw/zinc/08/24/75/1074082475.db2.gz AQHCVEWLNNTHBA-UHFFFAOYSA-N 1 0 419.526 0.742 20 0 HCADRO CCc1cc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)n(C)n1 ZINC000606071632 1074083176 /nfs/dbraw/zinc/08/31/76/1074083176.db2.gz PYKUFLXKZTUTAR-UHFFFAOYSA-N 1 0 414.514 0.430 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC1 ZINC000606071935 1074082948 /nfs/dbraw/zinc/08/29/48/1074082948.db2.gz HCLJGMJVSAOFKI-UHFFFAOYSA-N 1 0 404.515 0.725 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1 ZINC000606072022 1074082920 /nfs/dbraw/zinc/08/29/20/1074082920.db2.gz LHQHPZPVGOKRLT-UHFFFAOYSA-N 1 0 419.463 0.025 20 0 HCADRO CCN1CCc2ccc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc21 ZINC000606072097 1074083507 /nfs/dbraw/zinc/08/35/07/1074083507.db2.gz SSIDWQULBIODJP-UHFFFAOYSA-N 1 0 413.522 0.774 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(CCOC)CC[NH+](C)C)cc1C ZINC000606072901 1074083605 /nfs/dbraw/zinc/08/36/05/1074083605.db2.gz WWKISWCHIILCHQ-UHFFFAOYSA-N 1 0 414.528 0.732 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2N(C)C(C)=O)CC1 ZINC000606073399 1074083844 /nfs/dbraw/zinc/08/38/44/1074083844.db2.gz XBOSYQMMLBKBAE-UHFFFAOYSA-N 1 0 417.510 0.620 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(CC(C)(C)C)nn2C)CC1 ZINC000606073417 1074083931 /nfs/dbraw/zinc/08/39/31/1074083931.db2.gz YULNSBJBLXTLED-UHFFFAOYSA-N 1 0 420.558 0.960 20 0 HCADRO C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606074078 1074083911 /nfs/dbraw/zinc/08/39/11/1074083911.db2.gz JAIQAECHNGBSJA-HNNXBMFYSA-N 1 0 405.499 0.352 20 0 HCADRO C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606074080 1074083828 /nfs/dbraw/zinc/08/38/28/1074083828.db2.gz JAIQAECHNGBSJA-OAHLLOKOSA-N 1 0 405.499 0.352 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)Nc2cccnc2-n2cncn2)cc1 ZINC000606075208 1074084861 /nfs/dbraw/zinc/08/48/61/1074084861.db2.gz ZRQLORDJNVTSDQ-UHFFFAOYSA-N 1 0 423.477 0.900 20 0 HCADRO C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@H](C)N1CCOCC1 ZINC000606075424 1074084763 /nfs/dbraw/zinc/08/47/63/1074084763.db2.gz LBFIDMAIWPHANW-CVEARBPZSA-N 1 0 419.526 0.741 20 0 HCADRO C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@H](C)N1CCOCC1 ZINC000606075425 1074084893 /nfs/dbraw/zinc/08/48/93/1074084893.db2.gz LBFIDMAIWPHANW-HOTGVXAUSA-N 1 0 419.526 0.741 20 0 HCADRO C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@@H](C)N1CCOCC1 ZINC000606075426 1074084811 /nfs/dbraw/zinc/08/48/11/1074084811.db2.gz LBFIDMAIWPHANW-HZPDHXFCSA-N 1 0 419.526 0.741 20 0 HCADRO C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N1CCOCC1 ZINC000606075427 1074084678 /nfs/dbraw/zinc/08/46/78/1074084678.db2.gz LBFIDMAIWPHANW-JKSUJKDBSA-N 1 0 419.526 0.741 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1S(N)(=O)=O ZINC000606075864 1074084391 /nfs/dbraw/zinc/08/43/91/1074084391.db2.gz PXFIAXSBBPXBEK-UHFFFAOYSA-N 1 0 424.523 0.342 20 0 HCADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606076275 1074085322 /nfs/dbraw/zinc/08/53/22/1074085322.db2.gz FBXFEYGTYVHNRC-UHFFFAOYSA-N 1 0 423.470 0.397 20 0 HCADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000606076311 1074085344 /nfs/dbraw/zinc/08/53/44/1074085344.db2.gz MADHPWKIVACEGG-UHFFFAOYSA-N 1 0 405.480 0.258 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1S(N)(=O)=O ZINC000606076325 1074085182 /nfs/dbraw/zinc/08/51/82/1074085182.db2.gz NXSDFRCJYAKCJM-UHFFFAOYSA-N 1 0 419.507 0.566 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000606076817 1074085113 /nfs/dbraw/zinc/08/51/13/1074085113.db2.gz YAXZCWZLRSXPBS-INIZCTEOSA-N 1 0 408.524 0.807 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000606076818 1074085251 /nfs/dbraw/zinc/08/52/51/1074085251.db2.gz YAXZCWZLRSXPBS-MRXNPFEDSA-N 1 0 408.524 0.807 20 0 HCADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000606077061 1074085215 /nfs/dbraw/zinc/08/52/15/1074085215.db2.gz AQABPYXNKOCEIV-HNNXBMFYSA-N 1 0 412.487 0.889 20 0 HCADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000606077062 1074085317 /nfs/dbraw/zinc/08/53/17/1074085317.db2.gz AQABPYXNKOCEIV-OAHLLOKOSA-N 1 0 412.487 0.889 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000606077072 1074085629 /nfs/dbraw/zinc/08/56/29/1074085629.db2.gz BCEPIYPDDDJJDE-KRWDZBQOSA-N 1 0 408.524 0.761 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000606077073 1074085756 /nfs/dbraw/zinc/08/57/56/1074085756.db2.gz BCEPIYPDDDJJDE-QGZVFWFLSA-N 1 0 408.524 0.761 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000606077116 1074086371 /nfs/dbraw/zinc/08/63/71/1074086371.db2.gz AZIWQWGGLSUONO-INIZCTEOSA-N 1 0 412.498 0.229 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000606077118 1074086180 /nfs/dbraw/zinc/08/61/80/1074086180.db2.gz AZIWQWGGLSUONO-MRXNPFEDSA-N 1 0 412.498 0.229 20 0 HCADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC000606077653 1074086059 /nfs/dbraw/zinc/08/60/59/1074086059.db2.gz AUYBKHHMXGHNIZ-UHFFFAOYSA-N 1 0 401.467 0.116 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1OC ZINC000606078309 1074086794 /nfs/dbraw/zinc/08/67/94/1074086794.db2.gz TVAQINLRNZXJBG-HNNXBMFYSA-N 1 0 424.523 0.996 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1OC ZINC000606078310 1074087226 /nfs/dbraw/zinc/08/72/26/1074087226.db2.gz TVAQINLRNZXJBG-OAHLLOKOSA-N 1 0 424.523 0.996 20 0 HCADRO CCc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1S(N)(=O)=O ZINC000606078632 1074086903 /nfs/dbraw/zinc/08/69/03/1074086903.db2.gz XCLUUGHFJOGRFV-INIZCTEOSA-N 1 0 408.524 0.922 20 0 HCADRO CCc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1S(N)(=O)=O ZINC000606078634 1074086773 /nfs/dbraw/zinc/08/67/73/1074086773.db2.gz XCLUUGHFJOGRFV-MRXNPFEDSA-N 1 0 408.524 0.922 20 0 HCADRO Cc1ncc(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cn1 ZINC000606078690 1074086889 /nfs/dbraw/zinc/08/68/89/1074086889.db2.gz YSHGOQJLTZJTLI-KRWDZBQOSA-N 1 0 410.478 0.737 20 0 HCADRO Cc1ncc(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cn1 ZINC000606078691 1074086705 /nfs/dbraw/zinc/08/67/05/1074086705.db2.gz YSHGOQJLTZJTLI-QGZVFWFLSA-N 1 0 410.478 0.737 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC1 ZINC000606078858 1074086745 /nfs/dbraw/zinc/08/67/45/1074086745.db2.gz BHYJNLMYDJZSPZ-UHFFFAOYSA-N 1 0 404.515 0.772 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606078878 1074086913 /nfs/dbraw/zinc/08/69/13/1074086913.db2.gz BTEIERSNFHMABI-HNNXBMFYSA-N 1 0 422.551 0.802 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606078879 1074086847 /nfs/dbraw/zinc/08/68/47/1074086847.db2.gz BTEIERSNFHMABI-OAHLLOKOSA-N 1 0 422.551 0.802 20 0 HCADRO CCNC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000606079415 1074087813 /nfs/dbraw/zinc/08/78/13/1074087813.db2.gz LTVWCBCGKNNXRF-KRWDZBQOSA-N 1 0 405.499 0.976 20 0 HCADRO CCNC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000606079417 1074087805 /nfs/dbraw/zinc/08/78/05/1074087805.db2.gz LTVWCBCGKNNXRF-QGZVFWFLSA-N 1 0 405.499 0.976 20 0 HCADRO Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]3CCC(C)CC3)c2)n[nH]1 ZINC000606079445 1074087640 /nfs/dbraw/zinc/08/76/40/1074087640.db2.gz OAQITUREZPMHHN-KRWDZBQOSA-N 1 0 400.483 0.928 20 0 HCADRO Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]3CCC(C)CC3)c2)n[nH]1 ZINC000606079446 1074087737 /nfs/dbraw/zinc/08/77/37/1074087737.db2.gz OAQITUREZPMHHN-QGZVFWFLSA-N 1 0 400.483 0.928 20 0 HCADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000606079451 1074087678 /nfs/dbraw/zinc/08/76/78/1074087678.db2.gz OEWFUQZSHGAQMH-HNNXBMFYSA-N 1 0 404.446 0.554 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000606079452 1074087780 /nfs/dbraw/zinc/08/77/80/1074087780.db2.gz OEWFUQZSHGAQMH-OAHLLOKOSA-N 1 0 404.446 0.554 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1 ZINC000606080162 1074088476 /nfs/dbraw/zinc/08/84/76/1074088476.db2.gz CMTPHZJHHBBRCV-AWEZNQCLSA-N 1 0 404.492 0.909 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1 ZINC000606080167 1074088145 /nfs/dbraw/zinc/08/81/45/1074088145.db2.gz CMTPHZJHHBBRCV-CQSZACIVSA-N 1 0 404.492 0.909 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000606080431 1074088506 /nfs/dbraw/zinc/08/85/06/1074088506.db2.gz GJPFBGLYOCPPAY-GOSISDBHSA-N 1 0 404.511 0.793 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000606080432 1074088293 /nfs/dbraw/zinc/08/82/93/1074088293.db2.gz GJPFBGLYOCPPAY-SFHVURJKSA-N 1 0 404.511 0.793 20 0 HCADRO C[C@H](c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1)N1CCOCC1 ZINC000606080436 1074088398 /nfs/dbraw/zinc/08/83/98/1074088398.db2.gz GMTTZZQMFJCASR-APWZRJJASA-N 1 0 403.527 0.380 20 0 HCADRO C[C@@H](c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1)N1CCOCC1 ZINC000606080437 1074088208 /nfs/dbraw/zinc/08/82/08/1074088208.db2.gz GMTTZZQMFJCASR-LPHOPBHVSA-N 1 0 403.527 0.380 20 0 HCADRO C[C@@H](c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1)N1CCOCC1 ZINC000606080438 1074088330 /nfs/dbraw/zinc/08/83/30/1074088330.db2.gz GMTTZZQMFJCASR-QFBILLFUSA-N 1 0 403.527 0.380 20 0 HCADRO C[C@H](c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1)N1CCOCC1 ZINC000606080439 1074088092 /nfs/dbraw/zinc/08/80/92/1074088092.db2.gz GMTTZZQMFJCASR-VQIMIIECSA-N 1 0 403.527 0.380 20 0 HCADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CC1 ZINC000606080454 1074088187 /nfs/dbraw/zinc/08/81/87/1074088187.db2.gz JCAJXPDSJPORCY-UHFFFAOYSA-N 1 0 400.483 0.834 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1S(N)(=O)=O ZINC000606081106 1074089050 /nfs/dbraw/zinc/08/90/50/1074089050.db2.gz BAYHAYWMBCDROE-UHFFFAOYSA-N 1 0 412.512 0.150 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCSCC2)cc1 ZINC000606081478 1074088905 /nfs/dbraw/zinc/08/89/05/1074088905.db2.gz XDHAYHNZINRJCN-UHFFFAOYSA-N 1 0 407.540 0.680 20 0 HCADRO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606081676 1074088932 /nfs/dbraw/zinc/08/89/32/1074088932.db2.gz XVSGBOOIGZMVEM-CYBMUJFWSA-N 1 0 412.512 0.407 20 0 HCADRO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606081679 1074088986 /nfs/dbraw/zinc/08/89/86/1074088986.db2.gz XVSGBOOIGZMVEM-ZDUSSCGKSA-N 1 0 412.512 0.407 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000606081747 1074088817 /nfs/dbraw/zinc/08/88/17/1074088817.db2.gz PIRDPLLIESEQEQ-HNNXBMFYSA-N 1 0 400.508 0.928 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000606081787 1074089020 /nfs/dbraw/zinc/08/90/20/1074089020.db2.gz PIRDPLLIESEQEQ-OAHLLOKOSA-N 1 0 400.508 0.928 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CCOCC3)cc21 ZINC000606087096 1074092066 /nfs/dbraw/zinc/09/20/66/1074092066.db2.gz IOQCKABJZWYWAG-UHFFFAOYSA-N 1 0 403.483 0.848 20 0 HCADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606087276 1074092039 /nfs/dbraw/zinc/09/20/39/1074092039.db2.gz ZOERMZSWYQZWAV-AWEZNQCLSA-N 1 0 400.476 0.792 20 0 HCADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606087278 1074092119 /nfs/dbraw/zinc/09/21/19/1074092119.db2.gz ZOERMZSWYQZWAV-CQSZACIVSA-N 1 0 400.476 0.792 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CCOCC1 ZINC000606088589 1074091952 /nfs/dbraw/zinc/09/19/52/1074091952.db2.gz UBDMQIJRUIJROC-UHFFFAOYSA-N 1 0 408.524 0.820 20 0 HCADRO CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606088592 1074092027 /nfs/dbraw/zinc/09/20/27/1074092027.db2.gz UKSKHFGFVXJKJY-CYBMUJFWSA-N 1 0 412.512 0.455 20 0 HCADRO CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606088797 1074091897 /nfs/dbraw/zinc/09/18/97/1074091897.db2.gz UKSKHFGFVXJKJY-ZDUSSCGKSA-N 1 0 412.512 0.455 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606089701 1074092090 /nfs/dbraw/zinc/09/20/90/1074092090.db2.gz IWKLKCIPPYUKGY-UHFFFAOYSA-N 1 0 422.551 0.898 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000606089729 1074092640 /nfs/dbraw/zinc/09/26/40/1074092640.db2.gz JHVVFNWXJUCDMR-UHFFFAOYSA-N 1 0 404.446 0.650 20 0 HCADRO Cc1nc(-c2ccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc2)n[nH]1 ZINC000606089755 1074092493 /nfs/dbraw/zinc/09/24/93/1074092493.db2.gz KBUCATNYCRHBHK-GOSISDBHSA-N 1 0 411.510 0.957 20 0 HCADRO Cc1nc(-c2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2)n[nH]1 ZINC000606089757 1074092580 /nfs/dbraw/zinc/09/25/80/1074092580.db2.gz KBUCATNYCRHBHK-SFHVURJKSA-N 1 0 411.510 0.957 20 0 HCADRO Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)c2)n[nH]1 ZINC000606089971 1074091908 /nfs/dbraw/zinc/09/19/08/1074091908.db2.gz NKEDYHFHYKHLRE-GOSISDBHSA-N 1 0 411.510 0.957 20 0 HCADRO Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)c2)n[nH]1 ZINC000606089972 1074091964 /nfs/dbraw/zinc/09/19/64/1074091964.db2.gz NKEDYHFHYKHLRE-SFHVURJKSA-N 1 0 411.510 0.957 20 0 HCADRO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000606090089 1074092452 /nfs/dbraw/zinc/09/24/52/1074092452.db2.gz QFYSVJCLYJNKOK-KRWDZBQOSA-N 1 0 401.511 0.846 20 0 HCADRO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000606090098 1074092552 /nfs/dbraw/zinc/09/25/52/1074092552.db2.gz QFYSVJCLYJNKOK-QGZVFWFLSA-N 1 0 401.511 0.846 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC2(C(N)=O)CCCC2)cc1 ZINC000606090153 1074092689 /nfs/dbraw/zinc/09/26/89/1074092689.db2.gz MWUVDXINEKHDDM-UHFFFAOYSA-N 1 0 403.483 0.677 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)c(F)c3)CC2)C1 ZINC000606090526 1074092671 /nfs/dbraw/zinc/09/26/71/1074092671.db2.gz VUWPFBXVTMVZQA-INIZCTEOSA-N 1 0 415.473 0.583 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)c(F)c3)CC2)C1 ZINC000606090529 1074092414 /nfs/dbraw/zinc/09/24/14/1074092414.db2.gz VUWPFBXVTMVZQA-MRXNPFEDSA-N 1 0 415.473 0.583 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)N3CCC([N@H+](C)CCCO)CC3)cc21 ZINC000606090681 1074092371 /nfs/dbraw/zinc/09/23/71/1074092371.db2.gz XBQLRZDEVCADPJ-UHFFFAOYSA-N 1 0 417.510 0.926 20 0 HCADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000606092413 1074110587 /nfs/dbraw/zinc/11/05/87/1074110587.db2.gz BCKQCYLMNJSXNI-GFCCVEGCSA-N 1 0 400.476 0.648 20 0 HCADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000606092414 1074110561 /nfs/dbraw/zinc/11/05/61/1074110561.db2.gz BCKQCYLMNJSXNI-LBPRGKRZSA-N 1 0 400.476 0.648 20 0 HCADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C ZINC000606092422 1074110049 /nfs/dbraw/zinc/11/00/49/1074110049.db2.gz CNFPNBRUPKUUDI-UHFFFAOYSA-N 1 0 406.483 0.100 20 0 HCADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000606092490 1074110018 /nfs/dbraw/zinc/11/00/18/1074110018.db2.gz DPAFAHMBTVUSAJ-UHFFFAOYSA-N 1 0 402.451 0.912 20 0 HCADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC000606092496 1074109885 /nfs/dbraw/zinc/10/98/85/1074109885.db2.gz FNLOIIGQUZCIIW-UHFFFAOYSA-N 1 0 415.494 0.507 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1OC ZINC000606092525 1074110039 /nfs/dbraw/zinc/11/00/39/1074110039.db2.gz HPUOULDGADGWMA-HNNXBMFYSA-N 1 0 412.512 0.852 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1OC ZINC000606092527 1074110667 /nfs/dbraw/zinc/11/06/67/1074110667.db2.gz HPUOULDGADGWMA-OAHLLOKOSA-N 1 0 412.512 0.852 20 0 HCADRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000606093133 1074110640 /nfs/dbraw/zinc/11/06/40/1074110640.db2.gz QGOVBIHTXKABGY-GOSISDBHSA-N 1 0 402.495 0.862 20 0 HCADRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000606093135 1074110748 /nfs/dbraw/zinc/11/07/48/1074110748.db2.gz QGOVBIHTXKABGY-SFHVURJKSA-N 1 0 402.495 0.862 20 0 HCADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000606093141 1074110689 /nfs/dbraw/zinc/11/06/89/1074110689.db2.gz QIXBQFFKCSNWDG-UHFFFAOYSA-N 1 0 401.511 0.980 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000606093485 1074111429 /nfs/dbraw/zinc/11/14/29/1074111429.db2.gz XCAINOCIXNYUPW-UHFFFAOYSA-N 1 0 400.476 0.792 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC000606093577 1074111531 /nfs/dbraw/zinc/11/15/31/1074111531.db2.gz NZCVBYLGDFPAIE-GFCCVEGCSA-N 1 0 412.512 0.994 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC000606093578 1074111380 /nfs/dbraw/zinc/11/13/80/1074111380.db2.gz NZCVBYLGDFPAIE-LBPRGKRZSA-N 1 0 412.512 0.994 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000606093591 1074111459 /nfs/dbraw/zinc/11/14/59/1074111459.db2.gz PJSRGJXSUUSEMZ-AWEZNQCLSA-N 1 0 412.512 0.116 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000606093592 1074111315 /nfs/dbraw/zinc/11/13/15/1074111315.db2.gz PJSRGJXSUUSEMZ-CQSZACIVSA-N 1 0 412.512 0.116 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+]3CCOC)cc21 ZINC000606093619 1074111671 /nfs/dbraw/zinc/11/16/71/1074111671.db2.gz QLQLHGLDUIXUIZ-KRWDZBQOSA-N 1 0 403.483 0.848 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+]3CCOC)cc21 ZINC000606093620 1074111443 /nfs/dbraw/zinc/11/14/43/1074111443.db2.gz QLQLHGLDUIXUIZ-QGZVFWFLSA-N 1 0 403.483 0.848 20 0 HCADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc1OC ZINC000606093641 1074111625 /nfs/dbraw/zinc/11/16/25/1074111625.db2.gz RKFFGBTXAQOAQC-UHFFFAOYSA-N 1 0 400.501 0.852 20 0 HCADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1 ZINC000606093684 1074111608 /nfs/dbraw/zinc/11/16/08/1074111608.db2.gz UKDRBPPGICYBBR-UHFFFAOYSA-N 1 0 400.501 0.853 20 0 HCADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC000606093833 1074111564 /nfs/dbraw/zinc/11/15/64/1074111564.db2.gz YAOSFIPJQCWEMH-UHFFFAOYSA-N 1 0 402.904 0.886 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1 ZINC000606093949 1074110535 /nfs/dbraw/zinc/11/05/35/1074110535.db2.gz YOFHLACQWIIQEC-AWEZNQCLSA-N 1 0 412.512 0.996 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1 ZINC000606093950 1074111498 /nfs/dbraw/zinc/11/14/98/1074111498.db2.gz YOFHLACQWIIQEC-CQSZACIVSA-N 1 0 412.512 0.996 20 0 HCADRO CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)cc1S(N)(=O)=O ZINC000606093998 1074111585 /nfs/dbraw/zinc/11/15/85/1074111585.db2.gz UOHJKSOJBLAVSP-HNNXBMFYSA-N 1 0 412.512 0.062 20 0 HCADRO CCc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)cc1S(N)(=O)=O ZINC000606093999 1074111282 /nfs/dbraw/zinc/11/12/82/1074111282.db2.gz UOHJKSOJBLAVSP-OAHLLOKOSA-N 1 0 412.512 0.062 20 0 HCADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C(C)(C)C ZINC000606094244 1074112675 /nfs/dbraw/zinc/11/26/75/1074112675.db2.gz WDNHBEPQJAJFST-AWEZNQCLSA-N 1 0 402.492 0.894 20 0 HCADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C(C)(C)C ZINC000606094255 1074112632 /nfs/dbraw/zinc/11/26/32/1074112632.db2.gz WDNHBEPQJAJFST-CQSZACIVSA-N 1 0 402.492 0.894 20 0 HCADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000606095007 1074112064 /nfs/dbraw/zinc/11/20/64/1074112064.db2.gz RKPHFLKLVKRVLN-IBGZPJMESA-N 1 0 420.510 0.709 20 0 HCADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000606095010 1074112164 /nfs/dbraw/zinc/11/21/64/1074112164.db2.gz RKPHFLKLVKRVLN-LJQANCHMSA-N 1 0 420.510 0.709 20 0 HCADRO NC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000606098703 1074114070 /nfs/dbraw/zinc/11/40/70/1074114070.db2.gz 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ZINC000606128512 1074142086 /nfs/dbraw/zinc/14/20/86/1074142086.db2.gz GTSOKCQAIJYWJH-MRXNPFEDSA-N 1 0 403.483 0.722 20 0 HCADRO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000606128568 1074142008 /nfs/dbraw/zinc/14/20/08/1074142008.db2.gz HLCTUOGUDIHZGO-INIZCTEOSA-N 1 0 420.510 0.689 20 0 HCADRO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000606128752 1074141555 /nfs/dbraw/zinc/14/15/55/1074141555.db2.gz HLCTUOGUDIHZGO-MRXNPFEDSA-N 1 0 420.510 0.689 20 0 HCADRO CNC(=O)c1cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)ccc1Cl ZINC000606128799 1074140976 /nfs/dbraw/zinc/14/09/76/1074140976.db2.gz JKVFPOMVTREXGW-AWEZNQCLSA-N 1 0 410.902 0.991 20 0 HCADRO CNC(=O)c1cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccc1Cl ZINC000606128800 1074141061 /nfs/dbraw/zinc/14/10/61/1074141061.db2.gz JKVFPOMVTREXGW-CQSZACIVSA-N 1 0 410.902 0.991 20 0 HCADRO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000606128815 1074141012 /nfs/dbraw/zinc/14/10/12/1074141012.db2.gz KFTNLPNCNNKYOV-KRWDZBQOSA-N 1 0 404.511 0.988 20 0 HCADRO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000606128816 1074140944 /nfs/dbraw/zinc/14/09/44/1074140944.db2.gz KFTNLPNCNNKYOV-QGZVFWFLSA-N 1 0 404.511 0.988 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)ccc1-n1cnnn1 ZINC000606129746 1074142728 /nfs/dbraw/zinc/14/27/28/1074142728.db2.gz RRPIEEGZDMDKMY-INIZCTEOSA-N 1 0 401.471 0.262 20 0 HCADRO Cc1cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccc1-n1cnnn1 ZINC000606129749 1074142693 /nfs/dbraw/zinc/14/26/93/1074142693.db2.gz RRPIEEGZDMDKMY-MRXNPFEDSA-N 1 0 401.471 0.262 20 0 HCADRO Cc1c(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cccc1-n1cnnn1 ZINC000606129860 1074142669 /nfs/dbraw/zinc/14/26/69/1074142669.db2.gz UJQGUOPFAYRLLG-HNNXBMFYSA-N 1 0 401.471 0.262 20 0 HCADRO Cc1c(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cccc1-n1cnnn1 ZINC000606129862 1074142739 /nfs/dbraw/zinc/14/27/39/1074142739.db2.gz UJQGUOPFAYRLLG-OAHLLOKOSA-N 1 0 401.471 0.262 20 0 HCADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1ccccc1Cn1cncn1 ZINC000606129930 1074142782 /nfs/dbraw/zinc/14/27/82/1074142782.db2.gz VBAWKBTXSWFTJO-KRWDZBQOSA-N 1 0 400.483 0.618 20 0 HCADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1ccccc1Cn1cncn1 ZINC000606129933 1074142719 /nfs/dbraw/zinc/14/27/19/1074142719.db2.gz VBAWKBTXSWFTJO-QGZVFWFLSA-N 1 0 400.483 0.618 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@](C)(O)CCOC)c(C)c2)CC1 ZINC000606130141 1074143214 /nfs/dbraw/zinc/14/32/14/1074143214.db2.gz HBOBQPHHMIJQME-NRFANRHFSA-N 1 0 406.527 0.979 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)CCOC)c(C)c2)CC1 ZINC000606130144 1074142993 /nfs/dbraw/zinc/14/29/93/1074142993.db2.gz HBOBQPHHMIJQME-OAQYLSRUSA-N 1 0 406.527 0.979 20 0 HCADRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000606130264 1074144252 /nfs/dbraw/zinc/14/42/52/1074144252.db2.gz XTFVDJIAUMXHHK-HNNXBMFYSA-N 1 0 411.524 0.690 20 0 HCADRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000606130276 1074144362 /nfs/dbraw/zinc/14/43/62/1074144362.db2.gz XTFVDJIAUMXHHK-OAHLLOKOSA-N 1 0 411.524 0.690 20 0 HCADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000606130307 1074144236 /nfs/dbraw/zinc/14/42/36/1074144236.db2.gz YQXBMPBOCODJLY-KRWDZBQOSA-N 1 0 401.471 0.262 20 0 HCADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000606130311 1074144291 /nfs/dbraw/zinc/14/42/91/1074144291.db2.gz YQXBMPBOCODJLY-QGZVFWFLSA-N 1 0 401.471 0.262 20 0 HCADRO COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000606130635 1074144272 /nfs/dbraw/zinc/14/42/72/1074144272.db2.gz LFKXYYKRCYFCFK-NRFANRHFSA-N 1 0 420.510 0.307 20 0 HCADRO COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000606130636 1074144340 /nfs/dbraw/zinc/14/43/40/1074144340.db2.gz LFKXYYKRCYFCFK-OAQYLSRUSA-N 1 0 420.510 0.307 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)cc2)CC1 ZINC000606132065 1074144311 /nfs/dbraw/zinc/14/43/11/1074144311.db2.gz ABGOIECCPAAPIE-UHFFFAOYSA-N 1 0 415.494 0.028 20 0 HCADRO COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000606132330 1074146073 /nfs/dbraw/zinc/14/60/73/1074146073.db2.gz HWCQVAJZIYINGA-NRFANRHFSA-N 1 0 420.510 0.953 20 0 HCADRO COC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000606132331 1074146010 /nfs/dbraw/zinc/14/60/10/1074146010.db2.gz HWCQVAJZIYINGA-OAQYLSRUSA-N 1 0 420.510 0.953 20 0 HCADRO CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000606132506 1074145946 /nfs/dbraw/zinc/14/59/46/1074145946.db2.gz JWPQCNUKBJTPLH-NRFANRHFSA-N 1 0 404.511 0.846 20 0 HCADRO CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000606132507 1074146032 /nfs/dbraw/zinc/14/60/32/1074146032.db2.gz JWPQCNUKBJTPLH-OAQYLSRUSA-N 1 0 404.511 0.846 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)c(C)c2)CC1 ZINC000606132992 1074145350 /nfs/dbraw/zinc/14/53/50/1074145350.db2.gz GXPDYSAKIWRZDC-UHFFFAOYSA-N 1 0 415.494 0.341 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1Cl ZINC000606133233 1074128108 /nfs/dbraw/zinc/12/81/08/1074128108.db2.gz KWDMYEMWGREBLI-UHFFFAOYSA-N 1 0 410.858 0.484 20 0 HCADRO O=C(NCCN1C(=O)CCC1=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000606133391 1074147702 /nfs/dbraw/zinc/14/77/02/1074147702.db2.gz MYTDFIXJUWYIPB-UHFFFAOYSA-N 1 0 400.479 0.919 20 0 HCADRO CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000606133896 1074146506 /nfs/dbraw/zinc/14/65/06/1074146506.db2.gz UQMCCPDTFAGYAA-NRFANRHFSA-N 1 0 404.511 0.926 20 0 HCADRO CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000606133900 1074147148 /nfs/dbraw/zinc/14/71/48/1074147148.db2.gz UQMCCPDTFAGYAA-OAQYLSRUSA-N 1 0 404.511 0.926 20 0 HCADRO O=C(NCCN1C(=O)CCC1=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000606134274 1074130082 /nfs/dbraw/zinc/13/00/82/1074130082.db2.gz PXVNAFHLYLBGLA-UHFFFAOYSA-N 1 0 418.519 0.482 20 0 HCADRO COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000606134290 1074130062 /nfs/dbraw/zinc/13/00/62/1074130062.db2.gz QHMUZJBLMPZKBF-NRFANRHFSA-N 1 0 420.510 0.953 20 0 HCADRO COC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000606134293 1074130124 /nfs/dbraw/zinc/13/01/24/1074130124.db2.gz QHMUZJBLMPZKBF-OAQYLSRUSA-N 1 0 420.510 0.953 20 0 HCADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NC[C@](C)(O)COC)CC1 ZINC000606134451 1074129737 /nfs/dbraw/zinc/12/97/37/1074129737.db2.gz SMQLRRYKSBXLOZ-IBGZPJMESA-N 1 0 412.918 0.934 20 0 HCADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NC[C@@](C)(O)COC)CC1 ZINC000606134454 1074130115 /nfs/dbraw/zinc/13/01/15/1074130115.db2.gz SMQLRRYKSBXLOZ-LJQANCHMSA-N 1 0 412.918 0.934 20 0 HCADRO COc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1Cl ZINC000606134680 1074129620 /nfs/dbraw/zinc/12/96/20/1074129620.db2.gz AXYNGVHEYSQLIO-UHFFFAOYSA-N 1 0 412.918 0.793 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)Nc1cc(Cl)ccc1F ZINC000606134687 1074129561 /nfs/dbraw/zinc/12/95/61/1074129561.db2.gz BKWTWXWGWJZDNR-UHFFFAOYSA-N 1 0 400.882 0.924 20 0 HCADRO COc1c(C)ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)c1C ZINC000606134834 1074129655 /nfs/dbraw/zinc/12/96/55/1074129655.db2.gz GCUBLBXKABVPEE-UHFFFAOYSA-N 1 0 406.527 0.757 20 0 HCADRO O=C(NCCN1C(=O)CCC1=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000606134861 1074129600 /nfs/dbraw/zinc/12/96/00/1074129600.db2.gz WSSBAKOXJOJOQL-UHFFFAOYSA-N 1 0 404.492 0.439 20 0 HCADRO COc1ccc(Cl)cc1NC(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000606134894 1074129517 /nfs/dbraw/zinc/12/95/17/1074129517.db2.gz JEGBCWPHGCOCTC-UHFFFAOYSA-N 1 0 412.918 0.793 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)Nc1ccc(Cl)cc1F ZINC000606134907 1074129032 /nfs/dbraw/zinc/12/90/32/1074129032.db2.gz JZCDFYWUPYXMMP-UHFFFAOYSA-N 1 0 400.882 0.924 20 0 HCADRO CC1(C)Oc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCN(CCO)CC3)cc2O1 ZINC000606134928 1074128965 /nfs/dbraw/zinc/12/89/65/1074128965.db2.gz MWVAQJVYBPUNSZ-UHFFFAOYSA-N 1 0 420.510 0.639 20 0 HCADRO C[C@](O)(CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)C1CC1 ZINC000606135339 1074132051 /nfs/dbraw/zinc/13/20/51/1074132051.db2.gz SQRFKQHAVWYYQG-NRFANRHFSA-N 1 0 402.495 0.600 20 0 HCADRO C[C@@](O)(CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)C1CC1 ZINC000606135340 1074131934 /nfs/dbraw/zinc/13/19/34/1074131934.db2.gz SQRFKQHAVWYYQG-OAQYLSRUSA-N 1 0 402.495 0.600 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)Nc1cc(F)c(F)cc1F ZINC000606135679 1074130780 /nfs/dbraw/zinc/13/07/80/1074130780.db2.gz QAOAXFWOWDRPEY-UHFFFAOYSA-N 1 0 402.417 0.549 20 0 HCADRO Cn1ccc2c1cccc2NC(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000606135693 1074130896 /nfs/dbraw/zinc/13/08/96/1074130896.db2.gz RYLULYCXDJLIGA-UHFFFAOYSA-N 1 0 401.511 0.623 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)c2cccnc12 ZINC000606135695 1074130760 /nfs/dbraw/zinc/13/07/60/1074130760.db2.gz RZWJKZDTYKZTAW-UHFFFAOYSA-N 1 0 413.522 0.988 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000606135722 1074130800 /nfs/dbraw/zinc/13/08/00/1074130800.db2.gz VEUPLABDRCMYGC-UHFFFAOYSA-N 1 0 400.882 0.924 20 0 HCADRO Cc1cc2cc(NC(=O)C(=O)NCCCC[NH+]3CCN(CCO)CC3)ccc2[nH]1 ZINC000606135748 1074130917 /nfs/dbraw/zinc/13/09/17/1074130917.db2.gz WHMKKZHRZMCKHC-UHFFFAOYSA-N 1 0 401.511 0.921 20 0 HCADRO Cc1cc(N(C)C)ccc1NC(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000606135755 1074130818 /nfs/dbraw/zinc/13/08/18/1074130818.db2.gz WOYCDKHIFSVINE-UHFFFAOYSA-N 1 0 405.543 0.506 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)Nc1ccc(F)c(F)c1F ZINC000606135780 1074131244 /nfs/dbraw/zinc/13/12/44/1074131244.db2.gz WWOSGHVWGYEMBG-UHFFFAOYSA-N 1 0 402.417 0.549 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)c2ccccc2O1 ZINC000606135785 1074130643 /nfs/dbraw/zinc/13/06/43/1074130643.db2.gz XANOZDNZKZKFES-KRWDZBQOSA-N 1 0 404.511 0.307 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)c2ccccc2O1 ZINC000606135789 1074130835 /nfs/dbraw/zinc/13/08/35/1074130835.db2.gz XANOZDNZKZKFES-QGZVFWFLSA-N 1 0 404.511 0.307 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000606135819 1074130610 /nfs/dbraw/zinc/13/06/10/1074130610.db2.gz YBTUEMZJKHHYOT-UHFFFAOYSA-N 1 0 404.511 0.456 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)Nc1cc(F)ccc1Cl ZINC000606135841 1074130735 /nfs/dbraw/zinc/13/07/35/1074130735.db2.gz YYNRTLQSKIRHLH-UHFFFAOYSA-N 1 0 400.882 0.924 20 0 HCADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)Nc1ccc(F)cc1Cl ZINC000606135898 1074130864 /nfs/dbraw/zinc/13/08/64/1074130864.db2.gz ZVRPNRQADLXIGR-UHFFFAOYSA-N 1 0 400.882 0.924 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](O)C3CCOCC3)cc2)CC1 ZINC000606140359 1074133787 /nfs/dbraw/zinc/13/37/87/1074133787.db2.gz CYWBURKEJJWICU-FQEVSTJZSA-N 1 0 418.538 0.666 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](O)C3CCOCC3)cc2)CC1 ZINC000606140360 1074133943 /nfs/dbraw/zinc/13/39/43/1074133943.db2.gz CYWBURKEJJWICU-HXUWFJFHSA-N 1 0 418.538 0.666 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](O)C3CCOCC3)c(C)c2)CC1 ZINC000606141559 1074134046 /nfs/dbraw/zinc/13/40/46/1074134046.db2.gz LGARKGUUZWKTRZ-FQEVSTJZSA-N 1 0 418.538 0.979 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)C3CCOCC3)c(C)c2)CC1 ZINC000606141561 1074134021 /nfs/dbraw/zinc/13/40/21/1074134021.db2.gz LGARKGUUZWKTRZ-HXUWFJFHSA-N 1 0 418.538 0.979 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H](O)C3CCOCC3)c2)CC1 ZINC000606142800 1074134119 /nfs/dbraw/zinc/13/41/19/1074134119.db2.gz XZNLNWYQLOFGDN-IBGZPJMESA-N 1 0 404.511 0.276 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H](O)C3CCOCC3)c2)CC1 ZINC000606142802 1074133750 /nfs/dbraw/zinc/13/37/50/1074133750.db2.gz XZNLNWYQLOFGDN-LJQANCHMSA-N 1 0 404.511 0.276 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(c2ncccc2S(N)(=O)=O)CC1 ZINC000606157606 1074149049 /nfs/dbraw/zinc/14/90/49/1074149049.db2.gz MMRLPTMDIGNDCX-UHFFFAOYSA-N 1 0 405.524 0.996 20 0 HCADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606163323 1074149402 /nfs/dbraw/zinc/14/94/02/1074149402.db2.gz HSVRDUYRQQAUNO-INIZCTEOSA-N 1 0 407.474 0.945 20 0 HCADRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606163324 1074149344 /nfs/dbraw/zinc/14/93/44/1074149344.db2.gz HSVRDUYRQQAUNO-MRXNPFEDSA-N 1 0 407.474 0.945 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)CC2)c1 ZINC000606193198 1074152709 /nfs/dbraw/zinc/15/27/09/1074152709.db2.gz TZHPYPXPVYRZFS-UHFFFAOYSA-N 1 0 424.461 0.307 20 0 HCADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000606193674 1074152666 /nfs/dbraw/zinc/15/26/66/1074152666.db2.gz WSGFUUAKKHWZMM-UHFFFAOYSA-N 1 0 405.499 0.371 20 0 HCADRO COc1cc(C)c(CN2CCN(C(=O)C[NH+]3CCC(C(N)=O)CC3)CC2)cc1OC ZINC000606205048 1074153503 /nfs/dbraw/zinc/15/35/03/1074153503.db2.gz GRXMRNLMMXZOFY-UHFFFAOYSA-N 1 0 418.538 0.854 20 0 HCADRO Cn1c2ncn(CCC(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000606313114 1074155179 /nfs/dbraw/zinc/15/51/79/1074155179.db2.gz LAUFDKIMDKYMTI-HNNXBMFYSA-N 1 0 402.499 0.301 20 0 HCADRO Cn1c2ncn(CCC(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000606313115 1074155345 /nfs/dbraw/zinc/15/53/45/1074155345.db2.gz LAUFDKIMDKYMTI-OAHLLOKOSA-N 1 0 402.499 0.301 20 0 HCADRO Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OCC[NH+](C)C)c1 ZINC000606327395 1074159405 /nfs/dbraw/zinc/15/94/05/1074159405.db2.gz AVCLZPNYUZEYEQ-UHFFFAOYSA-N 1 0 414.466 0.321 20 0 HCADRO Cc1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c(OCC[NH+](C)C)c1 ZINC000606327970 1074159219 /nfs/dbraw/zinc/15/92/19/1074159219.db2.gz HSCQEQZWPAMBBJ-UHFFFAOYSA-N 1 0 414.466 0.321 20 0 HCADRO COCCN1C[C@H](C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)CC1=O ZINC000606333487 1074160677 /nfs/dbraw/zinc/16/06/77/1074160677.db2.gz HKFBSLHVXUUWOL-GOSISDBHSA-N 1 0 418.538 0.771 20 0 HCADRO COCCN1C[C@@H](C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)CC1=O ZINC000606333488 1074160610 /nfs/dbraw/zinc/16/06/10/1074160610.db2.gz HKFBSLHVXUUWOL-SFHVURJKSA-N 1 0 418.538 0.771 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000606333544 1074160538 /nfs/dbraw/zinc/16/05/38/1074160538.db2.gz MTVVCCXYLGPQII-UHFFFAOYSA-N 1 0 424.567 0.006 20 0 HCADRO Cn1cc(C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000606333606 1074160621 /nfs/dbraw/zinc/16/06/21/1074160621.db2.gz RHKMKZIQYJRFAR-UHFFFAOYSA-N 1 0 401.467 0.389 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC000606333864 1074160513 /nfs/dbraw/zinc/16/05/13/1074160513.db2.gz KDISANVCILTWLV-UHFFFAOYSA-N 1 0 403.483 0.218 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)N1C(=O)CCC1=O ZINC000606333963 1074159925 /nfs/dbraw/zinc/15/99/25/1074159925.db2.gz PTQFZXOHLKVOHX-INIZCTEOSA-N 1 0 402.495 0.813 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)N1C(=O)CCC1=O ZINC000606333964 1074160556 /nfs/dbraw/zinc/16/05/56/1074160556.db2.gz PTQFZXOHLKVOHX-MRXNPFEDSA-N 1 0 402.495 0.813 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000606333991 1074160698 /nfs/dbraw/zinc/16/06/98/1074160698.db2.gz 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C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC000606334395 1074160705 /nfs/dbraw/zinc/16/07/05/1074160705.db2.gz VLNREZPOMDOBEI-UHFFFAOYSA-N 1 0 402.495 0.815 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000606334463 1074160725 /nfs/dbraw/zinc/16/07/25/1074160725.db2.gz YUDQAPFUMRHYNL-UHFFFAOYSA-N 1 0 410.540 0.311 20 0 HCADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000606338719 1074161418 /nfs/dbraw/zinc/16/14/18/1074161418.db2.gz AWCLQCAQRDMVMJ-KRWDZBQOSA-N 1 0 408.524 0.219 20 0 HCADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000606338720 1074161203 /nfs/dbraw/zinc/16/12/03/1074161203.db2.gz AWCLQCAQRDMVMJ-QGZVFWFLSA-N 1 0 408.524 0.219 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000606339011 1074161237 /nfs/dbraw/zinc/16/12/37/1074161237.db2.gz ACGHEUAVFKSVRN-KRWDZBQOSA-N 1 0 412.556 0.677 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000606339012 1074161365 /nfs/dbraw/zinc/16/13/65/1074161365.db2.gz ACGHEUAVFKSVRN-QGZVFWFLSA-N 1 0 412.556 0.677 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)CC2)cn1C ZINC000606339934 1074161336 /nfs/dbraw/zinc/16/13/36/1074161336.db2.gz UADOCHXEYWRUNM-KRWDZBQOSA-N 1 0 411.572 0.928 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)CC2)cn1C ZINC000606339935 1074161069 /nfs/dbraw/zinc/16/10/69/1074161069.db2.gz UADOCHXEYWRUNM-QGZVFWFLSA-N 1 0 411.572 0.928 20 0 HCADRO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606346724 1074157649 /nfs/dbraw/zinc/15/76/49/1074157649.db2.gz YBVHPGAPGJOFCR-AWEZNQCLSA-N 1 0 403.483 0.027 20 0 HCADRO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606346725 1074157535 /nfs/dbraw/zinc/15/75/35/1074157535.db2.gz YBVHPGAPGJOFCR-CQSZACIVSA-N 1 0 403.483 0.027 20 0 HCADRO Cc1cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606348341 1074157471 /nfs/dbraw/zinc/15/74/71/1074157471.db2.gz LNJBCTGJMHLFDT-KBPBESRZSA-N 1 0 403.483 0.170 20 0 HCADRO Cc1cc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606348342 1074157505 /nfs/dbraw/zinc/15/75/05/1074157505.db2.gz LNJBCTGJMHLFDT-OKILXGFUSA-N 1 0 403.483 0.170 20 0 HCADRO Cc1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606348343 1074157616 /nfs/dbraw/zinc/15/76/16/1074157616.db2.gz LNJBCTGJMHLFDT-ZIAGYGMSSA-N 1 0 403.483 0.170 20 0 HCADRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606349041 1074157559 /nfs/dbraw/zinc/15/75/59/1074157559.db2.gz TWCNPWVAVIZOEV-UHFFFAOYSA-N 1 0 423.477 0.340 20 0 HCADRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606353568 1074158818 /nfs/dbraw/zinc/15/88/18/1074158818.db2.gz YXHLLDJRNMQFTL-UHFFFAOYSA-N 1 0 423.477 0.340 20 0 HCADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606354026 1074158855 /nfs/dbraw/zinc/15/88/55/1074158855.db2.gz IZKSKRBELMKITE-UHFFFAOYSA-N 1 0 422.489 0.730 20 0 HCADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606354254 1074158551 /nfs/dbraw/zinc/15/85/51/1074158551.db2.gz BBYAJTFQQWVTQE-UHFFFAOYSA-N 1 0 422.489 0.730 20 0 HCADRO Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000606355337 1074158569 /nfs/dbraw/zinc/15/85/69/1074158569.db2.gz CLCRPOPHGWSWOT-INIZCTEOSA-N 1 0 409.490 0.843 20 0 HCADRO Cc1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000606355338 1074158875 /nfs/dbraw/zinc/15/88/75/1074158875.db2.gz CLCRPOPHGWSWOT-MRXNPFEDSA-N 1 0 409.490 0.843 20 0 HCADRO Cc1cc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606358830 1074164258 /nfs/dbraw/zinc/16/42/58/1074164258.db2.gz OHVMDJFCIDMBGW-HNNXBMFYSA-N 1 0 415.494 0.268 20 0 HCADRO Cc1cc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606358831 1074164380 /nfs/dbraw/zinc/16/43/80/1074164380.db2.gz OHVMDJFCIDMBGW-OAHLLOKOSA-N 1 0 415.494 0.268 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000606363570 1074165619 /nfs/dbraw/zinc/16/56/19/1074165619.db2.gz QVVZYPILVFUJAE-KRWDZBQOSA-N 1 0 403.458 0.910 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000606363571 1074165867 /nfs/dbraw/zinc/16/58/67/1074165867.db2.gz QVVZYPILVFUJAE-QGZVFWFLSA-N 1 0 403.458 0.910 20 0 HCADRO COCCC[NH+]1CCC(NC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000606364067 1074165779 /nfs/dbraw/zinc/16/57/79/1074165779.db2.gz HYKCYCPBIMKMNS-UHFFFAOYSA-N 1 0 403.483 0.171 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000606365564 1074166437 /nfs/dbraw/zinc/16/64/37/1074166437.db2.gz CLVQRPNIKMVNPE-UHFFFAOYSA-N 1 0 403.458 0.736 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000606366087 1074166208 /nfs/dbraw/zinc/16/62/08/1074166208.db2.gz NUEZOLPGEHVEHO-UHFFFAOYSA-N 1 0 405.474 0.982 20 0 HCADRO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606366744 1074166124 /nfs/dbraw/zinc/16/61/24/1074166124.db2.gz REVGRQKWXZPSCV-AWEZNQCLSA-N 1 0 403.483 0.123 20 0 HCADRO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606366745 1074166391 /nfs/dbraw/zinc/16/63/91/1074166391.db2.gz REVGRQKWXZPSCV-CQSZACIVSA-N 1 0 403.483 0.123 20 0 HCADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606367856 1074166348 /nfs/dbraw/zinc/16/63/48/1074166348.db2.gz DJRAEWARCVIZPX-UHFFFAOYSA-N 1 0 410.478 0.540 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000606368285 1074166072 /nfs/dbraw/zinc/16/60/72/1074166072.db2.gz HVAMJHOMKCMVGW-UHFFFAOYSA-N 1 0 417.510 0.560 20 0 HCADRO Cc1cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606370948 1074166851 /nfs/dbraw/zinc/16/68/51/1074166851.db2.gz JEVWOWRXMHZYEO-UHFFFAOYSA-N 1 0 403.483 0.123 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000606371427 1074166863 /nfs/dbraw/zinc/16/68/63/1074166863.db2.gz UWDRFZSVTAWUIL-UHFFFAOYSA-N 1 0 416.526 0.088 20 0 HCADRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371759 1074166878 /nfs/dbraw/zinc/16/68/78/1074166878.db2.gz UKVNKRYXGWMFIO-UHFFFAOYSA-N 1 0 416.526 0.039 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(N2CCNC2=O)ccc1F ZINC000606372860 1074167659 /nfs/dbraw/zinc/16/76/59/1074167659.db2.gz FWRGQMDXCFCHCE-HNNXBMFYSA-N 1 0 405.474 0.492 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(N2CCNC2=O)ccc1F ZINC000606372861 1074167511 /nfs/dbraw/zinc/16/75/11/1074167511.db2.gz FWRGQMDXCFCHCE-OAHLLOKOSA-N 1 0 405.474 0.492 20 0 HCADRO O=C(CCN1C(=O)CCc2ccccc21)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000606373187 1074166932 /nfs/dbraw/zinc/16/69/32/1074166932.db2.gz ZXRCVGBRSCYEFJ-IBGZPJMESA-N 1 0 400.523 0.879 20 0 HCADRO O=C(CCN1C(=O)CCc2ccccc21)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000606373188 1074166970 /nfs/dbraw/zinc/16/69/70/1074166970.db2.gz ZXRCVGBRSCYEFJ-LJQANCHMSA-N 1 0 400.523 0.879 20 0 HCADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606409599 1074174367 /nfs/dbraw/zinc/17/43/67/1074174367.db2.gz LBDYMPMVPJNVOV-AWEZNQCLSA-N 1 0 422.507 0.719 20 0 HCADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606409600 1074174303 /nfs/dbraw/zinc/17/43/03/1074174303.db2.gz LBDYMPMVPJNVOV-CQSZACIVSA-N 1 0 422.507 0.719 20 0 HCADRO Cn1c2ncn(CCC(=O)N3CCC[N@@H+](C4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000606411025 1074174396 /nfs/dbraw/zinc/17/43/96/1074174396.db2.gz VRTFCDCHSTUQDI-UHFFFAOYSA-N 1 0 402.499 0.301 20 0 HCADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606412346 1074169043 /nfs/dbraw/zinc/16/90/43/1074169043.db2.gz MLXPHTWUWJWDGO-UHFFFAOYSA-N 1 0 422.507 0.719 20 0 HCADRO Cc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(OCC[NH+](C)C)c1 ZINC000606418734 1074169555 /nfs/dbraw/zinc/16/95/55/1074169555.db2.gz VMTLKNOPXFRLIB-CVEARBPZSA-N 1 0 423.535 0.910 20 0 HCADRO Cc1ccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(OCC[NH+](C)C)c1 ZINC000606418735 1074169697 /nfs/dbraw/zinc/16/96/97/1074169697.db2.gz VMTLKNOPXFRLIB-HOTGVXAUSA-N 1 0 423.535 0.910 20 0 HCADRO Cc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(OCC[NH+](C)C)c1 ZINC000606418736 1074169765 /nfs/dbraw/zinc/16/97/65/1074169765.db2.gz VMTLKNOPXFRLIB-HZPDHXFCSA-N 1 0 423.535 0.910 20 0 HCADRO Cc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(OCC[NH+](C)C)c1 ZINC000606418737 1074169625 /nfs/dbraw/zinc/16/96/25/1074169625.db2.gz VMTLKNOPXFRLIB-JKSUJKDBSA-N 1 0 423.535 0.910 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 ZINC000606425910 1074182641 /nfs/dbraw/zinc/18/26/41/1074182641.db2.gz LKJJWZSLXSMIRV-UHFFFAOYSA-N 1 0 417.510 0.608 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CCC(=O)N2CCOCC2)CC1 ZINC000606425984 1074182664 /nfs/dbraw/zinc/18/26/64/1074182664.db2.gz PNLNSWKFGWNZLD-UHFFFAOYSA-N 1 0 418.538 0.915 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000606426018 1074182488 /nfs/dbraw/zinc/18/24/88/1074182488.db2.gz RWTFSXACFOAUQZ-UHFFFAOYSA-N 1 0 401.467 0.238 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000606426047 1074182430 /nfs/dbraw/zinc/18/24/30/1074182430.db2.gz UTGJGDAWZOYYNR-HNNXBMFYSA-N 1 0 403.483 0.264 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000606426048 1074182594 /nfs/dbraw/zinc/18/25/94/1074182594.db2.gz UTGJGDAWZOYYNR-OAHLLOKOSA-N 1 0 403.483 0.264 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)N1CCN(C)CC1 ZINC000606426069 1074182649 /nfs/dbraw/zinc/18/26/49/1074182649.db2.gz WDHXGAGDKNIJBH-IBGZPJMESA-N 1 0 403.571 0.912 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)N1CCN(C)CC1 ZINC000606426070 1074182610 /nfs/dbraw/zinc/18/26/10/1074182610.db2.gz WDHXGAGDKNIJBH-LJQANCHMSA-N 1 0 403.571 0.912 20 0 HCADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000606426082 1074182439 /nfs/dbraw/zinc/18/24/39/1074182439.db2.gz WWYZINPMBLMDAH-KRWDZBQOSA-N 1 0 419.526 0.046 20 0 HCADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000606426083 1074182575 /nfs/dbraw/zinc/18/25/75/1074182575.db2.gz WWYZINPMBLMDAH-QGZVFWFLSA-N 1 0 419.526 0.046 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000606426120 1074182514 /nfs/dbraw/zinc/18/25/14/1074182514.db2.gz ZPBBMDUSAHPOJC-UHFFFAOYSA-N 1 0 422.507 0.830 20 0 HCADRO Cc1ccc(NC(=O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1S(N)(=O)=O ZINC000606435972 1074175623 /nfs/dbraw/zinc/17/56/23/1074175623.db2.gz JTVXCBJTLAICKS-KRWDZBQOSA-N 1 0 410.540 0.768 20 0 HCADRO Cc1ccc(NC(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1S(N)(=O)=O ZINC000606435973 1074175832 /nfs/dbraw/zinc/17/58/32/1074175832.db2.gz JTVXCBJTLAICKS-QGZVFWFLSA-N 1 0 410.540 0.768 20 0 HCADRO Cn1cnc2c1c(=O)n(CCCN1CCC[N@H+](C[C@@H]3CCCO3)CC1)c(=O)n2C ZINC000606436209 1074175866 /nfs/dbraw/zinc/17/58/66/1074175866.db2.gz UKZLQIXZGOOJAF-INIZCTEOSA-N 1 0 404.515 0.011 20 0 HCADRO Cn1cnc2c1c(=O)n(CCCN1CCC[N@H+](C[C@H]3CCCO3)CC1)c(=O)n2C ZINC000606436210 1074175928 /nfs/dbraw/zinc/17/59/28/1074175928.db2.gz UKZLQIXZGOOJAF-MRXNPFEDSA-N 1 0 404.515 0.011 20 0 HCADRO NC(=O)COc1ccc(CNC(=O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000606436312 1074175006 /nfs/dbraw/zinc/17/50/06/1074175006.db2.gz ZWBQJRDVBYNZKA-IBGZPJMESA-N 1 0 404.511 0.354 20 0 HCADRO NC(=O)COc1ccc(CNC(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000606436313 1074175143 /nfs/dbraw/zinc/17/51/43/1074175143.db2.gz ZWBQJRDVBYNZKA-LJQANCHMSA-N 1 0 404.511 0.354 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000606436392 1074175715 /nfs/dbraw/zinc/17/57/15/1074175715.db2.gz BSZULTFTOHETEH-MOPGFXCFSA-N 1 0 402.543 0.700 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000606436393 1074175976 /nfs/dbraw/zinc/17/59/76/1074175976.db2.gz BSZULTFTOHETEH-OALUTQOASA-N 1 0 402.543 0.700 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000606436394 1074176002 /nfs/dbraw/zinc/17/60/02/1074176002.db2.gz BSZULTFTOHETEH-RBUKOAKNSA-N 1 0 402.543 0.700 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000606436395 1074174917 /nfs/dbraw/zinc/17/49/17/1074174917.db2.gz BSZULTFTOHETEH-RTBURBONSA-N 1 0 402.543 0.700 20 0 HCADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000606436556 1074176802 /nfs/dbraw/zinc/17/68/02/1074176802.db2.gz DVKXZSODQZRHSB-GOSISDBHSA-N 1 0 424.567 0.179 20 0 HCADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000606436557 1074176604 /nfs/dbraw/zinc/17/66/04/1074176604.db2.gz DVKXZSODQZRHSB-SFHVURJKSA-N 1 0 424.567 0.179 20 0 HCADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000606436690 1074175664 /nfs/dbraw/zinc/17/56/64/1074175664.db2.gz GUUZGOGBZANJEP-DOTOQJQBSA-N 1 0 410.540 0.848 20 0 HCADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000606436691 1074176034 /nfs/dbraw/zinc/17/60/34/1074176034.db2.gz GUUZGOGBZANJEP-NVXWUHKLSA-N 1 0 410.540 0.848 20 0 HCADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000606436692 1074175905 /nfs/dbraw/zinc/17/59/05/1074175905.db2.gz GUUZGOGBZANJEP-RDJZCZTQSA-N 1 0 410.540 0.848 20 0 HCADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000606436693 1074175582 /nfs/dbraw/zinc/17/55/82/1074175582.db2.gz GUUZGOGBZANJEP-WBVHZDCISA-N 1 0 410.540 0.848 20 0 HCADRO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000606437168 1074175602 /nfs/dbraw/zinc/17/56/02/1074175602.db2.gz OVVQSENZAGALJH-DOTOQJQBSA-N 1 0 410.540 0.848 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000606437169 1074175804 /nfs/dbraw/zinc/17/58/04/1074175804.db2.gz OVVQSENZAGALJH-NVXWUHKLSA-N 1 0 410.540 0.848 20 0 HCADRO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000606437170 1074175766 /nfs/dbraw/zinc/17/57/66/1074175766.db2.gz OVVQSENZAGALJH-RDJZCZTQSA-N 1 0 410.540 0.848 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000606437171 1074175640 /nfs/dbraw/zinc/17/56/40/1074175640.db2.gz OVVQSENZAGALJH-WBVHZDCISA-N 1 0 410.540 0.848 20 0 HCADRO CC(C)Cn1c(N)c(C(=O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(=O)n(C)c1=O ZINC000606437368 1074175685 /nfs/dbraw/zinc/17/56/85/1074175685.db2.gz RZSZBUDWMRAPSI-INIZCTEOSA-N 1 0 421.542 0.155 20 0 HCADRO CC(C)Cn1c(N)c(C(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c(=O)n(C)c1=O ZINC000606437369 1074176060 /nfs/dbraw/zinc/17/60/60/1074176060.db2.gz RZSZBUDWMRAPSI-MRXNPFEDSA-N 1 0 421.542 0.155 20 0 HCADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000606437504 1074176768 /nfs/dbraw/zinc/17/67/68/1074176768.db2.gz VBONIXLUTXKHGX-KRWDZBQOSA-N 1 0 422.551 0.410 20 0 HCADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000606437505 1074176420 /nfs/dbraw/zinc/17/64/20/1074176420.db2.gz VBONIXLUTXKHGX-QGZVFWFLSA-N 1 0 422.551 0.410 20 0 HCADRO CS(=O)(=O)c1ccc(CNC(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000606437538 1074176842 /nfs/dbraw/zinc/17/68/42/1074176842.db2.gz VNXCZRRZBFZSAI-GOSISDBHSA-N 1 0 409.552 0.893 20 0 HCADRO CS(=O)(=O)c1ccc(CNC(=O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000606437539 1074176701 /nfs/dbraw/zinc/17/67/01/1074176701.db2.gz VNXCZRRZBFZSAI-SFHVURJKSA-N 1 0 409.552 0.893 20 0 HCADRO CC(C)N(CCCNC(=O)CN1CCC[N@H+](C[C@H]2CCCO2)CC1)S(C)(=O)=O ZINC000606437758 1074176933 /nfs/dbraw/zinc/17/69/33/1074176933.db2.gz ZNAHACHJOZLSIX-GOSISDBHSA-N 1 0 418.604 0.349 20 0 HCADRO CC(C)N(CCCNC(=O)CN1CCC[N@H+](C[C@@H]2CCCO2)CC1)S(C)(=O)=O ZINC000606437759 1074176526 /nfs/dbraw/zinc/17/65/26/1074176526.db2.gz ZNAHACHJOZLSIX-SFHVURJKSA-N 1 0 418.604 0.349 20 0 HCADRO NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000606437826 1074177243 /nfs/dbraw/zinc/17/72/43/1074177243.db2.gz CAGNWHXQQPQEIM-KRWDZBQOSA-N 1 0 410.540 0.849 20 0 HCADRO NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000606437827 1074177328 /nfs/dbraw/zinc/17/73/28/1074177328.db2.gz CAGNWHXQQPQEIM-QGZVFWFLSA-N 1 0 410.540 0.849 20 0 HCADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCN(CC(F)(F)F)CC1)c(=O)n2C ZINC000606437837 1074177542 /nfs/dbraw/zinc/17/75/42/1074177542.db2.gz CUXXCZJSZDEZFB-UHFFFAOYSA-N 1 0 402.421 0.394 20 0 HCADRO CC(C)Cn1c(N)c(C(=O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(=O)[nH]c1=O ZINC000606437914 1074176658 /nfs/dbraw/zinc/17/66/58/1074176658.db2.gz JXTZYVUIAWCHRH-HNNXBMFYSA-N 1 0 407.515 0.557 20 0 HCADRO CC(C)Cn1c(N)c(C(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c(=O)[nH]c1=O ZINC000606437915 1074176872 /nfs/dbraw/zinc/17/68/72/1074176872.db2.gz JXTZYVUIAWCHRH-OAHLLOKOSA-N 1 0 407.515 0.557 20 0 HCADRO CCO[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000606438522 1074177268 /nfs/dbraw/zinc/17/72/68/1074177268.db2.gz YHTFAAOXTZQAKG-FXAWDEMLSA-N 1 0 417.506 0.998 20 0 HCADRO CCO[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000606438523 1074177593 /nfs/dbraw/zinc/17/75/93/1074177593.db2.gz YHTFAAOXTZQAKG-PXNSSMCTSA-N 1 0 417.506 0.998 20 0 HCADRO CCO[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000606438524 1074177522 /nfs/dbraw/zinc/17/75/22/1074177522.db2.gz YHTFAAOXTZQAKG-XLIONFOSSA-N 1 0 417.506 0.998 20 0 HCADRO CCO[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000606438525 1074177285 /nfs/dbraw/zinc/17/72/85/1074177285.db2.gz YHTFAAOXTZQAKG-YLJYHZDGSA-N 1 0 417.506 0.998 20 0 HCADRO CCO[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000606439168 1074177310 /nfs/dbraw/zinc/17/73/10/1074177310.db2.gz IVUITCJIDKSOPV-INIZCTEOSA-N 1 0 414.528 0.625 20 0 HCADRO CCO[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000606439169 1074177503 /nfs/dbraw/zinc/17/75/03/1074177503.db2.gz 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ZINC000606717381 1074214641 /nfs/dbraw/zinc/21/46/41/1074214641.db2.gz FAMCEDMONQMAHH-UHFFFAOYSA-N 1 0 402.455 0.455 20 0 HCADRO C[C@@H](CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)CN1CCOCC1 ZINC000606717498 1074214179 /nfs/dbraw/zinc/21/41/79/1074214179.db2.gz DOVCLTZTYPRMBZ-IBGZPJMESA-N 1 0 423.602 0.978 20 0 HCADRO C[C@H](CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)CN1CCOCC1 ZINC000606717500 1074213923 /nfs/dbraw/zinc/21/39/23/1074213923.db2.gz DOVCLTZTYPRMBZ-LJQANCHMSA-N 1 0 423.602 0.978 20 0 HCADRO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000606717562 1074214166 /nfs/dbraw/zinc/21/41/66/1074214166.db2.gz AAXKHSLHJALRMU-UHFFFAOYSA-N 1 0 419.526 0.154 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000606717698 1074213994 /nfs/dbraw/zinc/21/39/94/1074213994.db2.gz WTGYFHDXKAUJDI-UHFFFAOYSA-N 1 0 400.501 0.342 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)c(OCC[NH+](C)C)c1 ZINC000606718103 1074215396 /nfs/dbraw/zinc/21/53/96/1074215396.db2.gz LNWWBCFYTJGQQW-UHFFFAOYSA-N 1 0 413.478 0.815 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)c(OCC[NH+](C)C)c1 ZINC000606718168 1074215155 /nfs/dbraw/zinc/21/51/55/1074215155.db2.gz AOMCITYNRBUYSU-UHFFFAOYSA-N 1 0 414.466 0.210 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000606718760 1074215225 /nfs/dbraw/zinc/21/52/25/1074215225.db2.gz CYNCFYMJQSSHJJ-UHFFFAOYSA-N 1 0 412.512 0.485 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000606719031 1074215357 /nfs/dbraw/zinc/21/53/57/1074215357.db2.gz RKSCMNNIXYWAFG-UHFFFAOYSA-N 1 0 419.526 0.201 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000606720701 1074215267 /nfs/dbraw/zinc/21/52/67/1074215267.db2.gz YAIBCTATOSVQIL-GFCCVEGCSA-N 1 0 400.501 0.340 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000606720709 1074215664 /nfs/dbraw/zinc/21/56/64/1074215664.db2.gz YAIBCTATOSVQIL-LBPRGKRZSA-N 1 0 400.501 0.340 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000606721259 1074215767 /nfs/dbraw/zinc/21/57/67/1074215767.db2.gz JDLHHWDJIHGDIL-UHFFFAOYSA-N 1 0 414.528 0.731 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000606722688 1074215821 /nfs/dbraw/zinc/21/58/21/1074215821.db2.gz SEBLEBUXWUACHE-UHFFFAOYSA-N 1 0 406.483 0.239 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c(OCC[NH+](C)C)c1 ZINC000606723651 1074215793 /nfs/dbraw/zinc/21/57/93/1074215793.db2.gz RALNMOSIQNAEDB-UHFFFAOYSA-N 1 0 412.512 0.026 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000606724511 1074216280 /nfs/dbraw/zinc/21/62/80/1074216280.db2.gz VXELRSDPQUZRED-CYBMUJFWSA-N 1 0 412.512 0.485 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000606724512 1074216373 /nfs/dbraw/zinc/21/63/73/1074216373.db2.gz VXELRSDPQUZRED-ZDUSSCGKSA-N 1 0 412.512 0.485 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000606724638 1074215722 /nfs/dbraw/zinc/21/57/22/1074215722.db2.gz NVMGELJQCAIPGC-CYBMUJFWSA-N 1 0 414.528 0.731 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000606724639 1074215871 /nfs/dbraw/zinc/21/58/71/1074215871.db2.gz NVMGELJQCAIPGC-ZDUSSCGKSA-N 1 0 414.528 0.731 20 0 HCADRO C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)C[C@H](C)O1 ZINC000606724920 1074216543 /nfs/dbraw/zinc/21/65/43/1074216543.db2.gz AIZRHFZIFSEXAY-FUHIMQAGSA-N 1 0 417.554 0.596 20 0 HCADRO C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)C[C@@H](C)O1 ZINC000606724921 1074216409 /nfs/dbraw/zinc/21/64/09/1074216409.db2.gz AIZRHFZIFSEXAY-HLIPFELVSA-N 1 0 417.554 0.596 20 0 HCADRO C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)C[C@@H](C)O1 ZINC000606724922 1074216315 /nfs/dbraw/zinc/21/63/15/1074216315.db2.gz AIZRHFZIFSEXAY-MBOZVWFJSA-N 1 0 417.554 0.596 20 0 HCADRO C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)C[C@H](C)O1 ZINC000606724923 1074217218 /nfs/dbraw/zinc/21/72/18/1074217218.db2.gz AIZRHFZIFSEXAY-QKLQHJQFSA-N 1 0 417.554 0.596 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000606724950 1074217249 /nfs/dbraw/zinc/21/72/49/1074217249.db2.gz AZJOWQYGYFLYJX-UHFFFAOYSA-N 1 0 412.512 0.485 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC[N@H+](C)CC ZINC000606725072 1074216649 /nfs/dbraw/zinc/21/66/49/1074216649.db2.gz DVAGQFURUUOXFG-UHFFFAOYSA-N 1 0 400.501 0.342 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)c(OCC[NH+](C)C)c1 ZINC000606725112 1074216515 /nfs/dbraw/zinc/21/65/15/1074216515.db2.gz GIROEEFEESOADI-UHFFFAOYSA-N 1 0 414.528 0.318 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000606725239 1074216634 /nfs/dbraw/zinc/21/66/34/1074216634.db2.gz GSTGGICWKNRRLN-UHFFFAOYSA-N 1 0 412.512 0.486 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC[NH+](CC)CC ZINC000606725555 1074216497 /nfs/dbraw/zinc/21/64/97/1074216497.db2.gz MACIKPGBOJDXOJ-UHFFFAOYSA-N 1 0 414.528 0.732 20 0 HCADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000606725882 1074217152 /nfs/dbraw/zinc/21/71/52/1074217152.db2.gz QIROPUGZIRBCOB-IAGOWNOFSA-N 1 0 406.527 0.929 20 0 HCADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000606725884 1074216931 /nfs/dbraw/zinc/21/69/31/1074216931.db2.gz QIROPUGZIRBCOB-IRXDYDNUSA-N 1 0 406.527 0.929 20 0 HCADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000606726094 1074217004 /nfs/dbraw/zinc/21/70/04/1074217004.db2.gz ROHFPVZBLZCILS-UHFFFAOYSA-N 1 0 414.528 0.731 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)c(OCC[NH+](C)C)c1 ZINC000606726374 1074217026 /nfs/dbraw/zinc/21/70/26/1074217026.db2.gz XTPFOQNSTCWOJC-UHFFFAOYSA-N 1 0 414.510 0.941 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)c(OCC[NH+](C)C)c1 ZINC000606726902 1074218849 /nfs/dbraw/zinc/21/88/49/1074218849.db2.gz VUZRDNHIFUSYNB-UHFFFAOYSA-N 1 0 404.467 0.529 20 0 HCADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000606726982 1074218775 /nfs/dbraw/zinc/21/87/75/1074218775.db2.gz BPFNETXQLCGQOK-UHFFFAOYSA-N 1 0 416.482 0.731 20 0 HCADRO Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC000606727312 1074217812 /nfs/dbraw/zinc/21/78/12/1074217812.db2.gz QSMHVSMKSDHABR-UHFFFAOYSA-N 1 0 416.482 0.601 20 0 HCADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCn3ccnc3C2)CC1 ZINC000606732526 1074209279 /nfs/dbraw/zinc/20/92/79/1074209279.db2.gz JTJPJUVJCJMAGS-UHFFFAOYSA-N 1 0 410.478 0.642 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1OCC(N)=O ZINC000606740012 1074210236 /nfs/dbraw/zinc/21/02/36/1074210236.db2.gz BMNKWQUXJRUZBG-UHFFFAOYSA-N 1 0 418.494 0.975 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1OCC(N)=O ZINC000606741029 1074210397 /nfs/dbraw/zinc/21/03/97/1074210397.db2.gz GKYHJSRWNZPFLW-INIZCTEOSA-N 1 0 418.494 0.975 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OCC(N)=O ZINC000606741031 1074210600 /nfs/dbraw/zinc/21/06/00/1074210600.db2.gz GKYHJSRWNZPFLW-MRXNPFEDSA-N 1 0 418.494 0.975 20 0 HCADRO CN1C[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCC1=O ZINC000606742088 1074210980 /nfs/dbraw/zinc/21/09/80/1074210980.db2.gz GMECSFMZNCXVMQ-KRWDZBQOSA-N 1 0 404.536 0.953 20 0 HCADRO CN1C[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCC1=O ZINC000606742110 1074211073 /nfs/dbraw/zinc/21/10/73/1074211073.db2.gz GMECSFMZNCXVMQ-QGZVFWFLSA-N 1 0 404.536 0.953 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)N(C)C3)c(C)c2)CC1 ZINC000606742675 1074211054 /nfs/dbraw/zinc/21/10/54/1074211054.db2.gz HJFXDJISXUIQLF-INIZCTEOSA-N 1 0 401.511 0.812 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3)c(C)c2)CC1 ZINC000606742678 1074211038 /nfs/dbraw/zinc/21/10/38/1074211038.db2.gz HJFXDJISXUIQLF-MRXNPFEDSA-N 1 0 401.511 0.812 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3)cc2)CC1 ZINC000606743885 1074212127 /nfs/dbraw/zinc/21/21/27/1074212127.db2.gz TXSXHXPWTVIOKZ-GOSISDBHSA-N 1 0 401.511 0.500 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)N(C)C3)cc2)CC1 ZINC000606743886 1074212264 /nfs/dbraw/zinc/21/22/64/1074212264.db2.gz TXSXHXPWTVIOKZ-SFHVURJKSA-N 1 0 401.511 0.500 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606743891 1074212176 /nfs/dbraw/zinc/21/21/76/1074212176.db2.gz UPCUIJRYYNVTHO-KRWDZBQOSA-N 1 0 414.510 0.433 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606743892 1074212382 /nfs/dbraw/zinc/21/23/82/1074212382.db2.gz UPCUIJRYYNVTHO-QGZVFWFLSA-N 1 0 414.510 0.433 20 0 HCADRO CN1C[C@H](NC(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CCC1=O ZINC000606744080 1074212087 /nfs/dbraw/zinc/21/20/87/1074212087.db2.gz ZFLPTUHAAJZXDA-GOSISDBHSA-N 1 0 413.522 0.894 20 0 HCADRO CN1C[C@@H](NC(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CCC1=O ZINC000606744089 1074212043 /nfs/dbraw/zinc/21/20/43/1074212043.db2.gz ZFLPTUHAAJZXDA-SFHVURJKSA-N 1 0 413.522 0.894 20 0 HCADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000606744101 1074212362 /nfs/dbraw/zinc/21/23/62/1074212362.db2.gz QVDQKLCVULSTMJ-HNNXBMFYSA-N 1 0 412.487 0.889 20 0 HCADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000606744113 1074212072 /nfs/dbraw/zinc/21/20/72/1074212072.db2.gz QVDQKLCVULSTMJ-OAHLLOKOSA-N 1 0 412.487 0.889 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000606745240 1074212328 /nfs/dbraw/zinc/21/23/28/1074212328.db2.gz VWIQZVDQUZEGBV-KRWDZBQOSA-N 1 0 417.510 0.434 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000606745244 1074212888 /nfs/dbraw/zinc/21/28/88/1074212888.db2.gz VWIQZVDQUZEGBV-QGZVFWFLSA-N 1 0 417.510 0.434 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000606750083 1074223448 /nfs/dbraw/zinc/22/34/48/1074223448.db2.gz WPUKSNDMXKAKDL-KRWDZBQOSA-N 1 0 406.527 0.958 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000606750084 1074223630 /nfs/dbraw/zinc/22/36/30/1074223630.db2.gz WPUKSNDMXKAKDL-QGZVFWFLSA-N 1 0 406.527 0.958 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)n(C)n1 ZINC000606751139 1074225060 /nfs/dbraw/zinc/22/50/60/1074225060.db2.gz ZJXPPHKGQQVEBZ-UHFFFAOYSA-N 1 0 414.510 0.956 20 0 HCADRO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000606755388 1074226696 /nfs/dbraw/zinc/22/66/96/1074226696.db2.gz XRSDJNVSFOGTNT-KRWDZBQOSA-N 1 0 417.510 0.893 20 0 HCADRO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000606755399 1074226195 /nfs/dbraw/zinc/22/61/95/1074226195.db2.gz XRSDJNVSFOGTNT-QGZVFWFLSA-N 1 0 417.510 0.893 20 0 HCADRO Cn1c2ncn(CCC(=O)N(CC[NH+]3CCCC3)c3ccccc3)c2c(=O)n(C)c1=O ZINC000606816155 1074228410 /nfs/dbraw/zinc/22/84/10/1074228410.db2.gz XMOCAPYYMRZWQR-UHFFFAOYSA-N 1 0 424.505 0.953 20 0 HCADRO COc1cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)ccc1OCc1cnn(C)c1 ZINC000606831966 1074232169 /nfs/dbraw/zinc/23/21/69/1074232169.db2.gz SIOYXGKYCRADGZ-UHFFFAOYSA-N 1 0 415.494 0.854 20 0 HCADRO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000606832795 1074231233 /nfs/dbraw/zinc/23/12/33/1074231233.db2.gz DXDCNKJRUHFGIX-INIZCTEOSA-N 1 0 412.581 0.881 20 0 HCADRO NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000606832800 1074231292 /nfs/dbraw/zinc/23/12/92/1074231292.db2.gz DXDCNKJRUHFGIX-MRXNPFEDSA-N 1 0 412.581 0.881 20 0 HCADRO NS(=O)(=O)NC[C@H]1CCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000606833595 1074232347 /nfs/dbraw/zinc/23/23/47/1074232347.db2.gz BXLOUEPDAJMFMQ-GOSISDBHSA-N 1 0 423.583 0.621 20 0 HCADRO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000606833599 1074232272 /nfs/dbraw/zinc/23/22/72/1074232272.db2.gz BXLOUEPDAJMFMQ-SFHVURJKSA-N 1 0 423.583 0.621 20 0 HCADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)cc2)CC1 ZINC000606835783 1074234902 /nfs/dbraw/zinc/23/49/02/1074234902.db2.gz SXCIMGDEKKRTNL-KRWDZBQOSA-N 1 0 423.583 0.862 20 0 HCADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)cc2)CC1 ZINC000606835786 1074235055 /nfs/dbraw/zinc/23/50/55/1074235055.db2.gz SXCIMGDEKKRTNL-QGZVFWFLSA-N 1 0 423.583 0.862 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CNC(=O)c2ccccn2)CC1 ZINC000606837578 1074237925 /nfs/dbraw/zinc/23/79/25/1074237925.db2.gz KGUSVKARSSTCND-UHFFFAOYSA-N 1 0 403.527 0.754 20 0 HCADRO Cc1c(C(=O)N2CCS(=O)(=O)C[C@H]2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000606853708 1074241774 /nfs/dbraw/zinc/24/17/74/1074241774.db2.gz YRIBHIAHGINOLA-CYBMUJFWSA-N 1 0 403.508 0.823 20 0 HCADRO Cc1c(C(=O)N2CCS(=O)(=O)C[C@@H]2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000606853709 1074241988 /nfs/dbraw/zinc/24/19/88/1074241988.db2.gz YRIBHIAHGINOLA-ZDUSSCGKSA-N 1 0 403.508 0.823 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000606877637 1074245768 /nfs/dbraw/zinc/24/57/68/1074245768.db2.gz SLNVNUHYOPFSMG-KRWDZBQOSA-N 1 0 424.567 0.823 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000606877642 1074245962 /nfs/dbraw/zinc/24/59/62/1074245962.db2.gz SLNVNUHYOPFSMG-QGZVFWFLSA-N 1 0 424.567 0.823 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606878765 1074245985 /nfs/dbraw/zinc/24/59/85/1074245985.db2.gz PZLXHNUREHQVFX-INIZCTEOSA-N 1 0 410.540 0.604 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606878767 1074245737 /nfs/dbraw/zinc/24/57/37/1074245737.db2.gz PZLXHNUREHQVFX-MRXNPFEDSA-N 1 0 410.540 0.604 20 0 HCADRO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606878769 1074245878 /nfs/dbraw/zinc/24/58/78/1074245878.db2.gz PZPWXTDHBAMSJQ-INIZCTEOSA-N 1 0 420.535 0.365 20 0 HCADRO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606878784 1074245788 /nfs/dbraw/zinc/24/57/88/1074245788.db2.gz PZPWXTDHBAMSJQ-MRXNPFEDSA-N 1 0 420.535 0.365 20 0 HCADRO O=C(c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606878966 1074245807 /nfs/dbraw/zinc/24/58/07/1074245807.db2.gz OJLJBASLBICWTQ-CYBMUJFWSA-N 1 0 402.480 0.656 20 0 HCADRO O=C(c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606878989 1074246368 /nfs/dbraw/zinc/24/63/68/1074246368.db2.gz OJLJBASLBICWTQ-ZDUSSCGKSA-N 1 0 402.480 0.656 20 0 HCADRO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606879866 1074245903 /nfs/dbraw/zinc/24/59/03/1074245903.db2.gz YHIZAUMCLFFJNQ-INIZCTEOSA-N 1 0 420.535 0.365 20 0 HCADRO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606879869 1074245921 /nfs/dbraw/zinc/24/59/21/1074245921.db2.gz YHIZAUMCLFFJNQ-MRXNPFEDSA-N 1 0 420.535 0.365 20 0 HCADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606880901 1074246542 /nfs/dbraw/zinc/24/65/42/1074246542.db2.gz DYAAFSXFONHAIW-CYBMUJFWSA-N 1 0 408.480 0.186 20 0 HCADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606880903 1074246289 /nfs/dbraw/zinc/24/62/89/1074246289.db2.gz DYAAFSXFONHAIW-ZDUSSCGKSA-N 1 0 408.480 0.186 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1=O ZINC000606886465 1074242991 /nfs/dbraw/zinc/24/29/91/1074242991.db2.gz HLJHXQCOYVXILF-CHWSQXEVSA-N 1 0 414.432 0.972 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1=O ZINC000606886467 1074242980 /nfs/dbraw/zinc/24/29/80/1074242980.db2.gz HLJHXQCOYVXILF-OLZOCXBDSA-N 1 0 414.432 0.972 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1=O ZINC000606886470 1074242844 /nfs/dbraw/zinc/24/28/44/1074242844.db2.gz HLJHXQCOYVXILF-QWHCGFSZSA-N 1 0 414.432 0.972 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1=O ZINC000606886473 1074242968 /nfs/dbraw/zinc/24/29/68/1074242968.db2.gz HLJHXQCOYVXILF-STQMWFEESA-N 1 0 414.432 0.972 20 0 HCADRO COC[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 ZINC000606897780 1074243582 /nfs/dbraw/zinc/24/35/82/1074243582.db2.gz SGKCAKHXUDCREM-INIZCTEOSA-N 1 0 411.524 0.496 20 0 HCADRO COC[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 ZINC000606897781 1074243504 /nfs/dbraw/zinc/24/35/04/1074243504.db2.gz SGKCAKHXUDCREM-MRXNPFEDSA-N 1 0 411.524 0.496 20 0 HCADRO COC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000606897786 1074243476 /nfs/dbraw/zinc/24/34/76/1074243476.db2.gz WCHPADGNQKWWAZ-INIZCTEOSA-N 1 0 411.524 0.923 20 0 HCADRO COC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000606897787 1074244038 /nfs/dbraw/zinc/24/40/38/1074244038.db2.gz WCHPADGNQKWWAZ-MRXNPFEDSA-N 1 0 411.524 0.923 20 0 HCADRO COCCN(C(=O)C[N@@H+]1CC[C@H](COC)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000606897872 1074247395 /nfs/dbraw/zinc/24/73/95/1074247395.db2.gz IFMGRJLAAXYCKN-AWEZNQCLSA-N 1 0 411.503 0.135 20 0 HCADRO COCCN(C(=O)C[N@@H+]1CC[C@@H](COC)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000606897873 1074247489 /nfs/dbraw/zinc/24/74/89/1074247489.db2.gz IFMGRJLAAXYCKN-CQSZACIVSA-N 1 0 411.503 0.135 20 0 HCADRO Cc1cc(NC(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000606901396 1074247967 /nfs/dbraw/zinc/24/79/67/1074247967.db2.gz JPNWAOKAWJWBDO-DLBZAZTESA-N 1 0 409.556 0.907 20 0 HCADRO Cc1cc(NC(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000606901397 1074248155 /nfs/dbraw/zinc/24/81/55/1074248155.db2.gz JPNWAOKAWJWBDO-IAGOWNOFSA-N 1 0 409.556 0.907 20 0 HCADRO Cc1cc(NC(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000606901398 1074247941 /nfs/dbraw/zinc/24/79/41/1074247941.db2.gz JPNWAOKAWJWBDO-IRXDYDNUSA-N 1 0 409.556 0.907 20 0 HCADRO Cc1cc(NC(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000606901399 1074248067 /nfs/dbraw/zinc/24/80/67/1074248067.db2.gz JPNWAOKAWJWBDO-SJORKVTESA-N 1 0 409.556 0.907 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000606903383 1074248664 /nfs/dbraw/zinc/24/86/64/1074248664.db2.gz PVXLVNSCQWYMEP-CYBMUJFWSA-N 1 0 404.437 0.586 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000606903387 1074248709 /nfs/dbraw/zinc/24/87/09/1074248709.db2.gz PVXLVNSCQWYMEP-ZDUSSCGKSA-N 1 0 404.437 0.586 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC000606923580 1074249574 /nfs/dbraw/zinc/24/95/74/1074249574.db2.gz NKUGTHNTZZGZLX-UHFFFAOYSA-N 1 0 417.436 0.765 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000606925173 1074249767 /nfs/dbraw/zinc/24/97/67/1074249767.db2.gz TTYFWGIBELMNIK-LLVKDONJSA-N 1 0 403.409 0.410 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000606925174 1074249671 /nfs/dbraw/zinc/24/96/71/1074249671.db2.gz TTYFWGIBELMNIK-NSHDSACASA-N 1 0 403.409 0.410 20 0 HCADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCn4c(nnc4C(F)(F)F)C3)C2)CC1 ZINC000606925488 1074249618 /nfs/dbraw/zinc/24/96/18/1074249618.db2.gz MNBAJEXHHYXJNY-GFCCVEGCSA-N 1 0 401.437 0.991 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCn4c(nnc4C(F)(F)F)C3)C2)CC1 ZINC000606925491 1074249591 /nfs/dbraw/zinc/24/95/91/1074249591.db2.gz MNBAJEXHHYXJNY-LBPRGKRZSA-N 1 0 401.437 0.991 20 0 HCADRO O=C(C[N@H+]1CC[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000606933883 1074246566 /nfs/dbraw/zinc/24/65/66/1074246566.db2.gz DNFRIQINGWWOSG-LBPRGKRZSA-N 1 0 407.945 0.549 20 0 HCADRO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](CO)C3)CC2)cc1 ZINC000606934389 1074247041 /nfs/dbraw/zinc/24/70/41/1074247041.db2.gz PGLCOYOJBOVPPJ-INIZCTEOSA-N 1 0 411.524 0.232 20 0 HCADRO COc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1S(=O)(=O)NC1CC1 ZINC000606956479 1074251368 /nfs/dbraw/zinc/25/13/68/1074251368.db2.gz WFNLJGAOXXXNQD-HNNXBMFYSA-N 1 0 411.528 0.503 20 0 HCADRO COc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1S(=O)(=O)NC1CC1 ZINC000606956480 1074251310 /nfs/dbraw/zinc/25/13/10/1074251310.db2.gz WFNLJGAOXXXNQD-OAHLLOKOSA-N 1 0 411.528 0.503 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000606977584 1074259460 /nfs/dbraw/zinc/25/94/60/1074259460.db2.gz YJHGTEJDUQPAMU-KRWDZBQOSA-N 1 0 403.531 0.641 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000606977585 1074259646 /nfs/dbraw/zinc/25/96/46/1074259646.db2.gz YJHGTEJDUQPAMU-QGZVFWFLSA-N 1 0 403.531 0.641 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000606979035 1074259490 /nfs/dbraw/zinc/25/94/90/1074259490.db2.gz JYZSGUHNENRBLZ-UHFFFAOYSA-N 1 0 403.531 0.641 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000606983524 1074259567 /nfs/dbraw/zinc/25/95/67/1074259567.db2.gz PPJPBRFTJFTGRC-ZDUSSCGKSA-N 1 0 417.436 0.229 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000606988385 1074260121 /nfs/dbraw/zinc/26/01/21/1074260121.db2.gz BDQAHZAMRCJDOQ-LJQANCHMSA-N 1 0 404.511 0.935 20 0 HCADRO COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000606991009 1074260576 /nfs/dbraw/zinc/26/05/76/1074260576.db2.gz HSFZJFXNUNXPAW-GFCCVEGCSA-N 1 0 414.528 0.777 20 0 HCADRO COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000606991010 1074260532 /nfs/dbraw/zinc/26/05/32/1074260532.db2.gz HSFZJFXNUNXPAW-LBPRGKRZSA-N 1 0 414.528 0.777 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000606992083 1074261261 /nfs/dbraw/zinc/26/12/61/1074261261.db2.gz IPWQVERPOLBLDB-UHFFFAOYSA-N 1 0 424.523 0.627 20 0 HCADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000606992581 1074261290 /nfs/dbraw/zinc/26/12/90/1074261290.db2.gz INTAXVCNUJPBNE-UHFFFAOYSA-N 1 0 424.523 0.675 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C1 ZINC000606992962 1074261145 /nfs/dbraw/zinc/26/11/45/1074261145.db2.gz NDJYKWGUURJJJB-QGZVFWFLSA-N 1 0 404.511 0.861 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C[NH+]1CCCCC1 ZINC000606993374 1074252195 /nfs/dbraw/zinc/25/21/95/1074252195.db2.gz BWNVHPDZMYKTTI-HNNXBMFYSA-N 1 0 402.499 0.195 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C[NH+]1CCCCC1 ZINC000606993380 1074252169 /nfs/dbraw/zinc/25/21/69/1074252169.db2.gz BWNVHPDZMYKTTI-OAHLLOKOSA-N 1 0 402.499 0.195 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000606993408 1074261835 /nfs/dbraw/zinc/26/18/35/1074261835.db2.gz CMWWBHJRDQSRPL-OAHLLOKOSA-N 1 0 410.540 0.913 20 0 HCADRO COc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000606995208 1074252434 /nfs/dbraw/zinc/25/24/34/1074252434.db2.gz YBDPNYWZOHPKDW-AWEZNQCLSA-N 1 0 410.496 0.285 20 0 HCADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000606995209 1074252573 /nfs/dbraw/zinc/25/25/73/1074252573.db2.gz YBDPNYWZOHPKDW-CQSZACIVSA-N 1 0 410.496 0.285 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000606995477 1074252493 /nfs/dbraw/zinc/25/24/93/1074252493.db2.gz RJEOKDIRISDXLO-GOSISDBHSA-N 1 0 404.511 0.935 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000606995479 1074252467 /nfs/dbraw/zinc/25/24/67/1074252467.db2.gz RJEOKDIRISDXLO-SFHVURJKSA-N 1 0 404.511 0.935 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1)C[NH+]1CCN(C)CC1 ZINC000606996917 1074252613 /nfs/dbraw/zinc/25/26/13/1074252613.db2.gz FGUCJSRILMQQKZ-HNNXBMFYSA-N 1 0 401.511 0.517 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1)C[NH+]1CCN(C)CC1 ZINC000606996921 1074252687 /nfs/dbraw/zinc/25/26/87/1074252687.db2.gz FGUCJSRILMQQKZ-OAHLLOKOSA-N 1 0 401.511 0.517 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2)C[NH+]1CCN(C)CC1 ZINC000606997212 1074253369 /nfs/dbraw/zinc/25/33/69/1074253369.db2.gz LUUGEEPIEOKMAR-CYBMUJFWSA-N 1 0 405.474 0.649 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2)C[NH+]1CCN(C)CC1 ZINC000606997235 1074253197 /nfs/dbraw/zinc/25/31/97/1074253197.db2.gz LUUGEEPIEOKMAR-ZDUSSCGKSA-N 1 0 405.474 0.649 20 0 HCADRO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1S(=O)(=O)NC1CC1 ZINC000606997314 1074253907 /nfs/dbraw/zinc/25/39/07/1074253907.db2.gz NQAWTFYHRXESPT-UHFFFAOYSA-N 1 0 410.496 0.286 20 0 HCADRO Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000606997434 1074253148 /nfs/dbraw/zinc/25/31/48/1074253148.db2.gz OUXUBICJXJPVPH-UHFFFAOYSA-N 1 0 401.467 0.788 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)NCCC[NH+]3CCC(O)CC3)cc21 ZINC000606997437 1074253098 /nfs/dbraw/zinc/25/30/98/1074253098.db2.gz OXKOAZSONWQOMX-UHFFFAOYSA-N 1 0 403.483 0.584 20 0 HCADRO CCc1cc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)no1 ZINC000606997519 1074253346 /nfs/dbraw/zinc/25/33/46/1074253346.db2.gz RJLFLPASLJFCJH-UHFFFAOYSA-N 1 0 401.471 0.684 20 0 HCADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CC1 ZINC000606997582 1074253023 /nfs/dbraw/zinc/25/30/23/1074253023.db2.gz NVCQDEGOLLHHIR-QGZVFWFLSA-N 1 0 404.511 0.597 20 0 HCADRO COCCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000606997597 1074253275 /nfs/dbraw/zinc/25/32/75/1074253275.db2.gz VEYKHYSOELPMLX-HNNXBMFYSA-N 1 0 410.490 0.789 20 0 HCADRO COCCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000606997620 1074253045 /nfs/dbraw/zinc/25/30/45/1074253045.db2.gz VEYKHYSOELPMLX-OAHLLOKOSA-N 1 0 410.490 0.789 20 0 HCADRO CCN(Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1)C(C)=O ZINC000606997622 1074253362 /nfs/dbraw/zinc/25/33/62/1074253362.db2.gz VHUFWDCCHYHQAT-UHFFFAOYSA-N 1 0 404.511 0.957 20 0 HCADRO CCn1cnnc1-c1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000606997669 1074253244 /nfs/dbraw/zinc/25/32/44/1074253244.db2.gz WUMBIPGKKXKAJU-UHFFFAOYSA-N 1 0 400.483 0.867 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000606998557 1074253718 /nfs/dbraw/zinc/25/37/18/1074253718.db2.gz NRARGBCQVXBHCU-UHFFFAOYSA-N 1 0 410.540 0.564 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)C[NH+]1CCN(C)CC1 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/nfs/dbraw/zinc/25/37/94/1074253794.db2.gz CQZZQOPPDSDEEL-OAHLLOKOSA-N 1 0 403.527 0.635 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC2)c1)C[NH+]1CCN(C)CC1 ZINC000606998729 1074253766 /nfs/dbraw/zinc/25/37/66/1074253766.db2.gz DJFJKDXLAFQQOW-QGZVFWFLSA-N 1 0 415.538 0.861 20 0 HCADRO Cc1nnnn1-c1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)ccc1F ZINC000606998759 1074253726 /nfs/dbraw/zinc/25/37/26/1074253726.db2.gz DZMWOJQVLZVQSH-CYBMUJFWSA-N 1 0 418.477 0.048 20 0 HCADRO Cc1nnnn1-c1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccc1F ZINC000606998768 1074253640 /nfs/dbraw/zinc/25/36/40/1074253640.db2.gz DZMWOJQVLZVQSH-ZDUSSCGKSA-N 1 0 418.477 0.048 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC(N)=O)C[NH+]1CCN(C)CC1 ZINC000606998805 1074253821 /nfs/dbraw/zinc/25/38/21/1074253821.db2.gz FPGJLRCOXUKJKH-HNNXBMFYSA-N 1 0 421.567 0.592 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1SCCC(N)=O)C[NH+]1CCN(C)CC1 ZINC000606998819 1074253686 /nfs/dbraw/zinc/25/36/86/1074253686.db2.gz FPGJLRCOXUKJKH-OAHLLOKOSA-N 1 0 421.567 0.592 20 0 HCADRO Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000606999100 1074255055 /nfs/dbraw/zinc/25/50/55/1074255055.db2.gz JLOWPSZNCFMTSP-HNNXBMFYSA-N 1 0 414.510 0.825 20 0 HCADRO Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000606999110 1074255145 /nfs/dbraw/zinc/25/51/45/1074255145.db2.gz JLOWPSZNCFMTSP-OAHLLOKOSA-N 1 0 414.510 0.825 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)c(C)c2)CC1 ZINC000606999401 1074255135 /nfs/dbraw/zinc/25/51/35/1074255135.db2.gz RVPIWFGHLDCKHF-UHFFFAOYSA-N 1 0 408.524 0.332 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000606999430 1074255030 /nfs/dbraw/zinc/25/50/30/1074255030.db2.gz PGGWLYXIVQCLEL-AWEZNQCLSA-N 1 0 403.462 0.345 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000606999435 1074254925 /nfs/dbraw/zinc/25/49/25/1074254925.db2.gz PGGWLYXIVQCLEL-CQSZACIVSA-N 1 0 403.462 0.345 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C[NH+]1CCN(C)CC1 ZINC000606999745 1074254416 /nfs/dbraw/zinc/25/44/16/1074254416.db2.gz QGGMHJHEQOOSDB-APWZRJJASA-N 1 0 404.511 0.793 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C[NH+]1CCN(C)CC1 ZINC000606999746 1074254519 /nfs/dbraw/zinc/25/45/19/1074254519.db2.gz QGGMHJHEQOOSDB-LPHOPBHVSA-N 1 0 404.511 0.793 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C[NH+]1CCN(C)CC1 ZINC000606999749 1074254298 /nfs/dbraw/zinc/25/42/98/1074254298.db2.gz QGGMHJHEQOOSDB-QFBILLFUSA-N 1 0 404.511 0.793 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C[NH+]1CCN(C)CC1 ZINC000606999754 1074254320 /nfs/dbraw/zinc/25/43/20/1074254320.db2.gz QGGMHJHEQOOSDB-VQIMIIECSA-N 1 0 404.511 0.793 20 0 HCADRO CCNC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000606999808 1074254367 /nfs/dbraw/zinc/25/43/67/1074254367.db2.gz RUGACTKKIUHTFT-HNNXBMFYSA-N 1 0 404.515 0.766 20 0 HCADRO CCNC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000606999812 1074254494 /nfs/dbraw/zinc/25/44/94/1074254494.db2.gz RUGACTKKIUHTFT-OAHLLOKOSA-N 1 0 404.515 0.766 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)cc21 ZINC000606999822 1074255102 /nfs/dbraw/zinc/25/51/02/1074255102.db2.gz RXSIPSFRQWWRIV-INIZCTEOSA-N 1 0 416.526 0.621 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)cc21 ZINC000606999826 1074254337 /nfs/dbraw/zinc/25/43/37/1074254337.db2.gz RXSIPSFRQWWRIV-MRXNPFEDSA-N 1 0 416.526 0.621 20 0 HCADRO COc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(OC)c1OC ZINC000606999898 1074254443 /nfs/dbraw/zinc/25/44/43/1074254443.db2.gz VQKWYCXYPZEODI-AWEZNQCLSA-N 1 0 408.499 0.651 20 0 HCADRO COc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(OC)c1OC ZINC000606999905 1074254389 /nfs/dbraw/zinc/25/43/89/1074254389.db2.gz VQKWYCXYPZEODI-CQSZACIVSA-N 1 0 408.499 0.651 20 0 HCADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000607000301 1074255407 /nfs/dbraw/zinc/25/54/07/1074255407.db2.gz BDSKKFVULCDPRZ-UHFFFAOYSA-N 1 0 411.549 0.473 20 0 HCADRO COC[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000607001646 1074256043 /nfs/dbraw/zinc/25/60/43/1074256043.db2.gz DWQYSAXDNMHAEH-INIZCTEOSA-N 1 0 402.495 0.898 20 0 HCADRO COC[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000607002231 1074256617 /nfs/dbraw/zinc/25/66/17/1074256617.db2.gz QESNPBHEMXOXEA-INIZCTEOSA-N 1 0 402.495 0.817 20 0 HCADRO COC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000607002239 1074256483 /nfs/dbraw/zinc/25/64/83/1074256483.db2.gz QESNPBHEMXOXEA-MRXNPFEDSA-N 1 0 402.495 0.817 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc2O1 ZINC000607005570 1074257682 /nfs/dbraw/zinc/25/76/82/1074257682.db2.gz FCDQKLKXHIMFQH-CRAIPNDOSA-N 1 0 400.479 0.471 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc2O1 ZINC000607005591 1074257486 /nfs/dbraw/zinc/25/74/86/1074257486.db2.gz FCDQKLKXHIMFQH-MAUKXSAKSA-N 1 0 400.479 0.471 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc2O1 ZINC000607005599 1074257671 /nfs/dbraw/zinc/25/76/71/1074257671.db2.gz FCDQKLKXHIMFQH-QAPCUYQASA-N 1 0 400.479 0.471 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc2O1 ZINC000607005604 1074257691 /nfs/dbraw/zinc/25/76/91/1074257691.db2.gz FCDQKLKXHIMFQH-YJBOKZPZSA-N 1 0 400.479 0.471 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000607007440 1074258052 /nfs/dbraw/zinc/25/80/52/1074258052.db2.gz XJSIOWXNMCQNHW-INIZCTEOSA-N 1 0 408.524 0.619 20 0 HCADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000607007441 1074258116 /nfs/dbraw/zinc/25/81/16/1074258116.db2.gz XJSIOWXNMCQNHW-MRXNPFEDSA-N 1 0 408.524 0.619 20 0 HCADRO CCc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1S(N)(=O)=O ZINC000607007636 1074258198 /nfs/dbraw/zinc/25/81/98/1074258198.db2.gz 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C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3=O)c2)CC1 ZINC000607269588 1074301329 /nfs/dbraw/zinc/30/13/29/1074301329.db2.gz DOXSEXDDVMXART-UHFFFAOYSA-N 1 0 402.495 0.711 20 0 HCADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000607269602 1074301247 /nfs/dbraw/zinc/30/12/47/1074301247.db2.gz HBHOLFUXVWTHQC-UHFFFAOYSA-N 1 0 402.495 0.824 20 0 HCADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CC1 ZINC000607269603 1074301146 /nfs/dbraw/zinc/30/11/46/1074301146.db2.gz HFICWSOXGNEBTF-UHFFFAOYSA-N 1 0 416.400 0.490 20 0 HCADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000607269606 1074301302 /nfs/dbraw/zinc/30/13/02/1074301302.db2.gz HUTQDGDXVYFNTR-UHFFFAOYSA-N 1 0 402.495 0.824 20 0 HCADRO C[C@@H](c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1)N1CCOCC1 ZINC000607269616 1074301226 /nfs/dbraw/zinc/30/12/26/1074301226.db2.gz IVDZFYAWPKORTN-INIZCTEOSA-N 1 0 404.511 0.591 20 0 HCADRO C[C@H](c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1)N1CCOCC1 ZINC000607269617 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Cn1c(=O)c2ccc(C(=O)NCC3([NH+](C)C)Cc4ccccc4C3)nc2n(C)c1=O ZINC000607535427 1074333187 /nfs/dbraw/zinc/33/31/87/1074333187.db2.gz ZTZNGWYBVDXRLG-UHFFFAOYSA-N 1 0 407.474 0.461 20 0 HCADRO CCN1C[C@H](C[N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)Oc2ccccc21 ZINC000607550018 1074335898 /nfs/dbraw/zinc/33/58/98/1074335898.db2.gz VBSIEXQEGDNUOD-HNNXBMFYSA-N 1 0 412.494 0.653 20 0 HCADRO CCN1C[C@@H](C[N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)Oc2ccccc21 ZINC000607550019 1074335741 /nfs/dbraw/zinc/33/57/41/1074335741.db2.gz VBSIEXQEGDNUOD-OAHLLOKOSA-N 1 0 412.494 0.653 20 0 HCADRO CN(CC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000607556397 1074335720 /nfs/dbraw/zinc/33/57/20/1074335720.db2.gz DJCLKMHNGMHQMD-UHFFFAOYSA-N 1 0 422.473 0.965 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cn1 ZINC000607557006 1074336243 /nfs/dbraw/zinc/33/62/43/1074336243.db2.gz CSMOTIXMAKVDRI-AWEZNQCLSA-N 1 0 416.457 0.692 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cn1 ZINC000607557007 1074336129 /nfs/dbraw/zinc/33/61/29/1074336129.db2.gz CSMOTIXMAKVDRI-CQSZACIVSA-N 1 0 416.457 0.692 20 0 HCADRO Cc1nc2ccnn2c(C)c1CCC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000607557008 1074336299 /nfs/dbraw/zinc/33/62/99/1074336299.db2.gz CUWQBKZWAGJOOQ-UHFFFAOYSA-N 1 0 412.498 0.792 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCc2nc3ccccc3oc2=O)cn1 ZINC000607557014 1074336474 /nfs/dbraw/zinc/33/64/74/1074336474.db2.gz DQYSOCAERKZTML-UHFFFAOYSA-N 1 0 412.450 0.634 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cn2cc(C(N)=O)c3ccccc32)cn1 ZINC000607557019 1074336545 /nfs/dbraw/zinc/33/65/45/1074336545.db2.gz GFDLMLCFQJPCGT-UHFFFAOYSA-N 1 0 411.466 0.253 20 0 HCADRO CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000607557021 1074336558 /nfs/dbraw/zinc/33/65/58/1074336558.db2.gz GPEHMFRDKRJAMM-UHFFFAOYSA-N 1 0 421.523 0.995 20 0 HCADRO COc1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(OC)c1OC ZINC000607557029 1074336585 /nfs/dbraw/zinc/33/65/85/1074336585.db2.gz IALHNCZARSVNTC-UHFFFAOYSA-N 1 0 405.455 0.839 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cn1 ZINC000607557035 1074336504 /nfs/dbraw/zinc/33/65/04/1074336504.db2.gz IPXVINOJQUJOQF-HNNXBMFYSA-N 1 0 402.430 0.765 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cn1 ZINC000607557036 1074336437 /nfs/dbraw/zinc/33/64/37/1074336437.db2.gz IPXVINOJQUJOQF-OAHLLOKOSA-N 1 0 402.430 0.765 20 0 HCADRO Cc1ccc(-c2nnn(CC(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)n2)cc1 ZINC000607557045 1074336531 /nfs/dbraw/zinc/33/65/31/1074336531.db2.gz JMLXYBCQPZLPHE-UHFFFAOYSA-N 1 0 411.470 0.162 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cn1 ZINC000607557051 1074336456 /nfs/dbraw/zinc/33/64/56/1074336456.db2.gz KGEOWRPBXOWWMG-UHFFFAOYSA-N 1 0 411.466 0.781 20 0 HCADRO Cc1nc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)nn1-c1ccc(F)cc1 ZINC000607557155 1074335804 /nfs/dbraw/zinc/33/58/04/1074335804.db2.gz PRUPSQXWWPFUIU-UHFFFAOYSA-N 1 0 414.445 0.841 20 0 HCADRO C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000607557175 1074336289 /nfs/dbraw/zinc/33/62/89/1074336289.db2.gz QIAGOAIKQOSFFP-BMFZPTHFSA-N 1 0 418.498 0.063 20 0 HCADRO C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000607557179 1074336202 /nfs/dbraw/zinc/33/62/02/1074336202.db2.gz QIAGOAIKQOSFFP-CWRNSKLLSA-N 1 0 418.498 0.063 20 0 HCADRO C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000607557181 1074336235 /nfs/dbraw/zinc/33/62/35/1074336235.db2.gz QIAGOAIKQOSFFP-FVQBIDKESA-N 1 0 418.498 0.063 20 0 HCADRO C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000607557191 1074336282 /nfs/dbraw/zinc/33/62/82/1074336282.db2.gz QIAGOAIKQOSFFP-KBMXLJTQSA-N 1 0 418.498 0.063 20 0 HCADRO CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000607557193 1074336140 /nfs/dbraw/zinc/33/61/40/1074336140.db2.gz QMHDIHNJMNBRKQ-KRWDZBQOSA-N 1 0 404.471 0.547 20 0 HCADRO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000607557194 1074336108 /nfs/dbraw/zinc/33/61/08/1074336108.db2.gz QMHDIHNJMNBRKQ-QGZVFWFLSA-N 1 0 404.471 0.547 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCN2C(=O)CCc3ccccc32)cn1 ZINC000607557209 1074336119 /nfs/dbraw/zinc/33/61/19/1074336119.db2.gz SZPKSNMGQBEAIY-UHFFFAOYSA-N 1 0 412.494 0.869 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCNC(=O)c2ccc(F)cc2)cn1 ZINC000607557212 1074336275 /nfs/dbraw/zinc/33/62/75/1074336275.db2.gz UNXPJKRKGSASAQ-UHFFFAOYSA-N 1 0 404.446 0.459 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCn2cc(Br)cn2)cn1 ZINC000607557219 1074336226 /nfs/dbraw/zinc/33/62/26/1074336226.db2.gz VINIJMIUVGDZAD-UHFFFAOYSA-N 1 0 412.292 0.549 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000607557222 1074336180 /nfs/dbraw/zinc/33/61/80/1074336180.db2.gz WGRVCBCIGSICLB-UHFFFAOYSA-N 1 0 422.511 0.064 20 0 HCADRO CC(=O)N[C@@H](CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1cccs1 ZINC000607557227 1074336306 /nfs/dbraw/zinc/33/63/06/1074336306.db2.gz WTBWHYGCMAQOLZ-HNNXBMFYSA-N 1 0 406.512 0.828 20 0 HCADRO CC(=O)N[C@H](CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1cccs1 ZINC000607557228 1074336169 /nfs/dbraw/zinc/33/61/69/1074336169.db2.gz WTBWHYGCMAQOLZ-OAHLLOKOSA-N 1 0 406.512 0.828 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cn1 ZINC000607557231 1074336153 /nfs/dbraw/zinc/33/61/53/1074336153.db2.gz XDSZLQLCUOXQMT-UHFFFAOYSA-N 1 0 412.450 0.467 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cn1 ZINC000607557232 1074336216 /nfs/dbraw/zinc/33/62/16/1074336216.db2.gz XOMSWRURUPNVSY-HNNXBMFYSA-N 1 0 418.523 0.866 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)cn1 ZINC000607557237 1074336264 /nfs/dbraw/zinc/33/62/64/1074336264.db2.gz YDACCOSGXRTBHA-UHFFFAOYSA-N 1 0 407.496 0.358 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)cn1 ZINC000607557247 1074336254 /nfs/dbraw/zinc/33/62/54/1074336254.db2.gz ZFEFMXBOKMFVAA-INIZCTEOSA-N 1 0 422.555 0.591 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cn1 ZINC000607557248 1074336190 /nfs/dbraw/zinc/33/61/90/1074336190.db2.gz ZFEFMXBOKMFVAA-MRXNPFEDSA-N 1 0 422.555 0.591 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCn2c(=O)oc3ccccc32)cn1 ZINC000607557295 1074335931 /nfs/dbraw/zinc/33/59/31/1074335931.db2.gz GBOVDUWOFLVNET-UHFFFAOYSA-N 1 0 400.439 0.498 20 0 HCADRO CCn1c2ccccc2n(CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1=O ZINC000607557315 1074335850 /nfs/dbraw/zinc/33/58/50/1074335850.db2.gz HHDGLBCBDAFIRB-UHFFFAOYSA-N 1 0 413.482 0.336 20 0 HCADRO Cc1cccc([C@H](CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)NC(N)=O)c1 ZINC000607557340 1074335838 /nfs/dbraw/zinc/33/58/38/1074335838.db2.gz JHXDJEVZWYCIKL-KRWDZBQOSA-N 1 0 415.498 0.608 20 0 HCADRO Cc1cccc([C@@H](CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)NC(N)=O)c1 ZINC000607557341 1074335701 /nfs/dbraw/zinc/33/57/01/1074335701.db2.gz JHXDJEVZWYCIKL-QGZVFWFLSA-N 1 0 415.498 0.608 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)cn1 ZINC000607557437 1074335689 /nfs/dbraw/zinc/33/56/89/1074335689.db2.gz DXNJQCWGPFCRSG-UHFFFAOYSA-N 1 0 423.477 0.469 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cn1 ZINC000607557556 1074337376 /nfs/dbraw/zinc/33/73/76/1074337376.db2.gz KOIWNNODGGZCAV-UHFFFAOYSA-N 1 0 419.530 0.427 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000607557587 1074337306 /nfs/dbraw/zinc/33/73/06/1074337306.db2.gz SHKKKIQKRMURQF-GOSISDBHSA-N 1 0 412.494 0.804 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000607557589 1074337416 /nfs/dbraw/zinc/33/74/16/1074337416.db2.gz SHKKKIQKRMURQF-SFHVURJKSA-N 1 0 412.494 0.804 20 0 HCADRO C[C@H]1Oc2c(cccc2C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)NC1=O ZINC000607557652 1074337330 /nfs/dbraw/zinc/33/73/30/1074337330.db2.gz QSRVPRBZMDVSNO-GFCCVEGCSA-N 1 0 400.439 0.533 20 0 HCADRO C[C@@H]1Oc2c(cccc2C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)NC1=O ZINC000607557654 1074337440 /nfs/dbraw/zinc/33/74/40/1074337440.db2.gz QSRVPRBZMDVSNO-LBPRGKRZSA-N 1 0 400.439 0.533 20 0 HCADRO Cc1c(CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)nnn1-c1ccccc1 ZINC000607557663 1074337395 /nfs/dbraw/zinc/33/73/95/1074337395.db2.gz REHMZIAAXGNVDV-UHFFFAOYSA-N 1 0 410.482 0.631 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cn1 ZINC000607557674 1074337364 /nfs/dbraw/zinc/33/73/64/1074337364.db2.gz SAEXPCKHKUYCFI-UHFFFAOYSA-N 1 0 402.480 0.857 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cn1 ZINC000607557689 1074337388 /nfs/dbraw/zinc/33/73/88/1074337388.db2.gz ZGSUERAEDKRKAJ-KRWDZBQOSA-N 1 0 412.494 0.548 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cn1 ZINC000607557691 1074337457 /nfs/dbraw/zinc/33/74/57/1074337457.db2.gz ZGSUERAEDKRKAJ-QGZVFWFLSA-N 1 0 412.494 0.548 20 0 HCADRO Cc1ccccc1[C@H](CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)NC(N)=O ZINC000607557701 1074337512 /nfs/dbraw/zinc/33/75/12/1074337512.db2.gz UQODDFKDQTTWNR-KRWDZBQOSA-N 1 0 415.498 0.608 20 0 HCADRO Cc1ccccc1[C@@H](CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)NC(N)=O ZINC000607557702 1074337503 /nfs/dbraw/zinc/33/75/03/1074337503.db2.gz UQODDFKDQTTWNR-QGZVFWFLSA-N 1 0 415.498 0.608 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cn1 ZINC000607557716 1074337448 /nfs/dbraw/zinc/33/74/48/1074337448.db2.gz VUWYFFNDAFOEQK-UHFFFAOYSA-N 1 0 412.450 0.186 20 0 HCADRO CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000607557769 1074337427 /nfs/dbraw/zinc/33/74/27/1074337427.db2.gz AIUJWBKWCFPIRU-CVEARBPZSA-N 1 0 406.531 0.784 20 0 HCADRO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000607557772 1074337471 /nfs/dbraw/zinc/33/74/71/1074337471.db2.gz AIUJWBKWCFPIRU-HOTGVXAUSA-N 1 0 406.531 0.784 20 0 HCADRO CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000607557775 1074337492 /nfs/dbraw/zinc/33/74/92/1074337492.db2.gz AIUJWBKWCFPIRU-HZPDHXFCSA-N 1 0 406.531 0.784 20 0 HCADRO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000607557777 1074337404 /nfs/dbraw/zinc/33/74/04/1074337404.db2.gz AIUJWBKWCFPIRU-JKSUJKDBSA-N 1 0 406.531 0.784 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccccc2SCC(N)=O)cn1 ZINC000607557907 1074337015 /nfs/dbraw/zinc/33/70/15/1074337015.db2.gz ILBRDULFWYTOAK-UHFFFAOYSA-N 1 0 404.496 0.391 20 0 HCADRO Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000607557928 1074336915 /nfs/dbraw/zinc/33/69/15/1074336915.db2.gz KQCHAUXJTQBWAZ-UHFFFAOYSA-N 1 0 407.496 0.525 20 0 HCADRO Cc1c(CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)nnn1-c1ccc(C)cc1 ZINC000607557962 1074337355 /nfs/dbraw/zinc/33/73/55/1074337355.db2.gz PEIGIDUAHREKQK-UHFFFAOYSA-N 1 0 424.509 0.940 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCc2nc(-c3ccoc3)no2)cn1 ZINC000607557985 1074337039 /nfs/dbraw/zinc/33/70/39/1074337039.db2.gz STXKWSKSOBJNQY-UHFFFAOYSA-N 1 0 401.427 0.775 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cn1 ZINC000607557993 1074336991 /nfs/dbraw/zinc/33/69/91/1074336991.db2.gz TVGBIINPACPDKM-INIZCTEOSA-N 1 0 419.530 0.427 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cn1 ZINC000607557994 1074337024 /nfs/dbraw/zinc/33/70/24/1074337024.db2.gz TVGBIINPACPDKM-MRXNPFEDSA-N 1 0 419.530 0.427 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2Oc3ccccc3NC2=O)cn1 ZINC000607558000 1074337083 /nfs/dbraw/zinc/33/70/83/1074337083.db2.gz UDMYHTNGJSKIJS-INIZCTEOSA-N 1 0 400.439 0.289 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)cn1 ZINC000607558001 1074336900 /nfs/dbraw/zinc/33/69/00/1074336900.db2.gz UDMYHTNGJSKIJS-MRXNPFEDSA-N 1 0 400.439 0.289 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)cn1 ZINC000607558021 1074337073 /nfs/dbraw/zinc/33/70/73/1074337073.db2.gz WXHUPOSORCTXDO-UHFFFAOYSA-N 1 0 409.450 0.359 20 0 HCADRO Cn1cc(-c2ncc(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)s2)cn1 ZINC000607558027 1074336965 /nfs/dbraw/zinc/33/69/65/1074336965.db2.gz YBXCZPSQXSFVIJ-UHFFFAOYSA-N 1 0 402.484 0.670 20 0 HCADRO COc1cc(OC)c(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1OC ZINC000607558029 1074337001 /nfs/dbraw/zinc/33/70/01/1074337001.db2.gz YOJPJQXUZXIQMF-UHFFFAOYSA-N 1 0 405.455 0.839 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000607558042 1074337049 /nfs/dbraw/zinc/33/70/49/1074337049.db2.gz ZTPWJOJHYDYNPN-UHFFFAOYSA-N 1 0 422.511 0.064 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCc2nc(-c3ccncc3)no2)cn1 ZINC000607558051 1074337062 /nfs/dbraw/zinc/33/70/62/1074337062.db2.gz BAGSIVQDKUPRLO-UHFFFAOYSA-N 1 0 412.454 0.577 20 0 HCADRO CCn1nc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(=O)c2ccccc21 ZINC000607558055 1074337107 /nfs/dbraw/zinc/33/71/07/1074337107.db2.gz BCXGXVVBFUANGI-UHFFFAOYSA-N 1 0 411.466 0.543 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cn1 ZINC000607558057 1074336930 /nfs/dbraw/zinc/33/69/30/1074336930.db2.gz BMVLYOHYSONQGS-UHFFFAOYSA-N 1 0 412.450 0.467 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)cn1 ZINC000607558075 1074336977 /nfs/dbraw/zinc/33/69/77/1074336977.db2.gz DTWIPCKJGYSTQF-HNNXBMFYSA-N 1 0 408.528 0.201 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CSCN2C(=O)C2CCC2)cn1 ZINC000607558076 1074336887 /nfs/dbraw/zinc/33/68/87/1074336887.db2.gz DTWIPCKJGYSTQF-OAHLLOKOSA-N 1 0 408.528 0.201 20 0 HCADRO CCS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000607558081 1074336941 /nfs/dbraw/zinc/33/69/41/1074336941.db2.gz FSOFMKBRAIMXAW-UHFFFAOYSA-N 1 0 407.496 0.607 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cn1 ZINC000607558097 1074337094 /nfs/dbraw/zinc/33/70/94/1074337094.db2.gz IISHDBYOKVZETE-UHFFFAOYSA-N 1 0 420.905 0.857 20 0 HCADRO Cn1c2ccccc2n(CCC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1=O ZINC000607558111 1074337008 /nfs/dbraw/zinc/33/70/08/1074337008.db2.gz KVBDENVLPXDATL-UHFFFAOYSA-N 1 0 413.482 0.243 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)cn1 ZINC000607558112 1074336950 /nfs/dbraw/zinc/33/69/50/1074336950.db2.gz KZWUJPCQVWNNRS-UHFFFAOYSA-N 1 0 424.465 0.098 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)cn1 ZINC000607558149 1074336518 /nfs/dbraw/zinc/33/65/18/1074336518.db2.gz PWAMQGROVNBGCT-UHFFFAOYSA-N 1 0 414.466 0.463 20 0 HCADRO CCS(=O)(=O)c1ccc(CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000607558169 1074336641 /nfs/dbraw/zinc/33/66/41/1074336641.db2.gz SDHULFFPMYCDSF-UHFFFAOYSA-N 1 0 421.523 0.536 20 0 HCADRO COc1ccc2c(c1)C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)CO2 ZINC000607558186 1074336575 /nfs/dbraw/zinc/33/65/75/1074336575.db2.gz WPGCXGPRDGIGGA-HNNXBMFYSA-N 1 0 401.467 0.759 20 0 HCADRO COc1ccc2c(c1)C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)CO2 ZINC000607558187 1074336651 /nfs/dbraw/zinc/33/66/51/1074336651.db2.gz WPGCXGPRDGIGGA-OAHLLOKOSA-N 1 0 401.467 0.759 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(N3CCNC3=O)ccc2F)cn1 ZINC000607558190 1074336624 /nfs/dbraw/zinc/33/66/24/1074336624.db2.gz WWSHHVJMKNMCRL-UHFFFAOYSA-N 1 0 417.445 0.482 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2csc(-c3ncccn3)n2)cn1 ZINC000607558192 1074336483 /nfs/dbraw/zinc/33/64/83/1074336483.db2.gz XPADPWRMGBTWCX-UHFFFAOYSA-N 1 0 400.468 0.727 20 0 HCADRO CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000607558200 1074336612 /nfs/dbraw/zinc/33/66/12/1074336612.db2.gz YJRUTENHPOTQCW-INIZCTEOSA-N 1 0 421.546 0.577 20 0 HCADRO CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000607558201 1074336447 /nfs/dbraw/zinc/33/64/47/1074336447.db2.gz YJRUTENHPOTQCW-MRXNPFEDSA-N 1 0 421.546 0.577 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000607558207 1074336596 /nfs/dbraw/zinc/33/65/96/1074336596.db2.gz ZJLWGILCSZUAHF-UHFFFAOYSA-N 1 0 418.473 0.789 20 0 HCADRO COc1ccc2c(c1)OC[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C2 ZINC000607558210 1074336661 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/nfs/dbraw/zinc/33/79/29/1074337929.db2.gz NHRYEFJIODULNJ-MRXNPFEDSA-N 1 0 401.467 0.733 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000607565070 1074337825 /nfs/dbraw/zinc/33/78/25/1074337825.db2.gz YGEQIPLKDKKOCI-KRWDZBQOSA-N 1 0 413.478 0.352 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000607565071 1074337984 /nfs/dbraw/zinc/33/79/84/1074337984.db2.gz YGEQIPLKDKKOCI-QGZVFWFLSA-N 1 0 413.478 0.352 20 0 HCADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000607578388 1074333431 /nfs/dbraw/zinc/33/34/31/1074333431.db2.gz JSGJIQXEHFEPBN-IBGZPJMESA-N 1 0 408.568 0.999 20 0 HCADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000607578389 1074333209 /nfs/dbraw/zinc/33/32/09/1074333209.db2.gz JSGJIQXEHFEPBN-LJQANCHMSA-N 1 0 408.568 0.999 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000607578517 1074333457 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ZINC000607652616 1074341927 /nfs/dbraw/zinc/34/19/27/1074341927.db2.gz YHQBPABHGPHVSP-IBGZPJMESA-N 1 0 424.567 0.262 20 0 HCADRO CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000607652618 1074341844 /nfs/dbraw/zinc/34/18/44/1074341844.db2.gz YHQBPABHGPHVSP-LJQANCHMSA-N 1 0 424.567 0.262 20 0 HCADRO CCN1CCN(CC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C(=O)C1=O ZINC000607658236 1074342720 /nfs/dbraw/zinc/34/27/20/1074342720.db2.gz PJLBVFMJRNQDBZ-KRWDZBQOSA-N 1 0 401.511 0.004 20 0 HCADRO CCN1CCN(CC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C(=O)C1=O ZINC000607658237 1074342887 /nfs/dbraw/zinc/34/28/87/1074342887.db2.gz PJLBVFMJRNQDBZ-QGZVFWFLSA-N 1 0 401.511 0.004 20 0 HCADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000607658240 1074342867 /nfs/dbraw/zinc/34/28/67/1074342867.db2.gz PSXKBXXYRXEFON-INIZCTEOSA-N 1 0 420.539 0.025 20 0 HCADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000607658241 1074342750 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1 0 412.494 0.988 20 0 HCADRO O=C(Cn1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cn1)N1CCOCC1 ZINC000607663176 1074344022 /nfs/dbraw/zinc/34/40/22/1074344022.db2.gz WLSWANWQZNMFBL-SFHVURJKSA-N 1 0 412.494 0.988 20 0 HCADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@@H](C)C1 ZINC000607665020 1074348166 /nfs/dbraw/zinc/34/81/66/1074348166.db2.gz WVTBFYUBZCKTLQ-GXTWGEPZSA-N 1 0 410.496 0.431 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@@H](C)C1 ZINC000607665021 1074348494 /nfs/dbraw/zinc/34/84/94/1074348494.db2.gz WVTBFYUBZCKTLQ-JSGCOSHPSA-N 1 0 410.496 0.431 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@H](C)C1 ZINC000607665022 1074348639 /nfs/dbraw/zinc/34/86/39/1074348639.db2.gz WVTBFYUBZCKTLQ-OCCSQVGLSA-N 1 0 410.496 0.431 20 0 HCADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@H](C)C1 ZINC000607665023 1074348811 /nfs/dbraw/zinc/34/88/11/1074348811.db2.gz WVTBFYUBZCKTLQ-TZMCWYRMSA-N 1 0 410.496 0.431 20 0 HCADRO Cn1c2[nH]c(CCC(=O)NCC3([NH+](C)C)Cc4ccccc4C3)nc2c(=O)[nH]c1=O ZINC000607669933 1074349216 /nfs/dbraw/zinc/34/92/16/1074349216.db2.gz QHJQAHOLTGWRAU-UHFFFAOYSA-N 1 0 410.478 0.510 20 0 HCADRO Cc1nc(S(=O)(=O)NCC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cn1C ZINC000607669986 1074348621 /nfs/dbraw/zinc/34/86/21/1074348621.db2.gz XEAGTYWRAYQUTA-UHFFFAOYSA-N 1 0 405.524 0.222 20 0 HCADRO C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)Cc2ccccc2C1 ZINC000607670012 1074348682 /nfs/dbraw/zinc/34/86/82/1074348682.db2.gz ZYGCEUUIVXUTHY-MSOLQXFVSA-N 1 0 419.547 0.237 20 0 HCADRO C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)Cc2ccccc2C1 ZINC000607670013 1074348597 /nfs/dbraw/zinc/34/85/97/1074348597.db2.gz ZYGCEUUIVXUTHY-QZTJIDSGSA-N 1 0 419.547 0.237 20 0 HCADRO C[NH+](C)C1(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)Cc2ccccc2C1 ZINC000607670014 1074348477 /nfs/dbraw/zinc/34/84/77/1074348477.db2.gz ZYGCEUUIVXUTHY-ROUUACIJSA-N 1 0 419.547 0.237 20 0 HCADRO C[NH+](C)C1(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)Cc2ccccc2C1 ZINC000607670015 1074349133 /nfs/dbraw/zinc/34/91/33/1074349133.db2.gz ZYGCEUUIVXUTHY-ZWKOTPCHSA-N 1 0 419.547 0.237 20 0 HCADRO C[NH+](C)C1(CNC(=O)CCNS(=O)(=O)c2cccnc2)Cc2ccccc2C1 ZINC000607670055 1074349204 /nfs/dbraw/zinc/34/92/04/1074349204.db2.gz FXMNILFWJGRSAX-UHFFFAOYSA-N 1 0 402.520 0.965 20 0 HCADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000607671674 1074349077 /nfs/dbraw/zinc/34/90/77/1074349077.db2.gz XCRSSEPTCDPEPO-CXAGYDPISA-N 1 0 411.553 0.959 20 0 HCADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000607671675 1074349230 /nfs/dbraw/zinc/34/92/30/1074349230.db2.gz XCRSSEPTCDPEPO-DYVFJYSZSA-N 1 0 411.553 0.959 20 0 HCADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000607671676 1074349292 /nfs/dbraw/zinc/34/92/92/1074349292.db2.gz XCRSSEPTCDPEPO-GUYCJALGSA-N 1 0 411.553 0.959 20 0 HCADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000607671677 1074349115 /nfs/dbraw/zinc/34/91/15/1074349115.db2.gz XCRSSEPTCDPEPO-SUMWQHHRSA-N 1 0 411.553 0.959 20 0 HCADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CN2CC(=O)NC2=O)CC1 ZINC000607678748 1074351657 /nfs/dbraw/zinc/35/16/57/1074351657.db2.gz YUFXQWHMHHJBDH-UHFFFAOYSA-N 1 0 413.400 0.625 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cccc(CN3CCOCC3)c2)cn1 ZINC000607679090 1074351723 /nfs/dbraw/zinc/35/17/23/1074351723.db2.gz CJIBJOWRSPZSTC-UHFFFAOYSA-N 1 0 414.510 0.645 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cn1 ZINC000607679144 1074351631 /nfs/dbraw/zinc/35/16/31/1074351631.db2.gz JIBISWABPDIPPZ-UHFFFAOYSA-N 1 0 419.461 0.138 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNC(=O)c2cccc(Cl)c2)cn1 ZINC000607679296 1074351675 /nfs/dbraw/zinc/35/16/75/1074351675.db2.gz AIUYYTGGRWFYPZ-UHFFFAOYSA-N 1 0 406.874 0.583 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2(S(=O)(=O)c3ccccc3)CC2)cn1 ZINC000607679302 1074351688 /nfs/dbraw/zinc/35/16/88/1074351688.db2.gz ARZAELNAKZWCLN-UHFFFAOYSA-N 1 0 419.507 0.506 20 0 HCADRO CCc1c(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cnn1-c1ccccn1 ZINC000607679307 1074351781 /nfs/dbraw/zinc/35/17/81/1074351781.db2.gz BBFXJXQYRDNRGL-UHFFFAOYSA-N 1 0 410.482 0.956 20 0 HCADRO Cc1cc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)ccc1N1CCNC1=O ZINC000607679328 1074351138 /nfs/dbraw/zinc/35/11/38/1074351138.db2.gz DCFCISDBCKFRGQ-UHFFFAOYSA-N 1 0 413.482 0.651 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)cn1 ZINC000607679329 1074351011 /nfs/dbraw/zinc/35/10/11/1074351011.db2.gz DFWJPAWGLUBUAQ-KRWDZBQOSA-N 1 0 416.457 0.692 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)cn1 ZINC000607679330 1074351040 /nfs/dbraw/zinc/35/10/40/1074351040.db2.gz DFWJPAWGLUBUAQ-QGZVFWFLSA-N 1 0 416.457 0.692 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cn1 ZINC000607679331 1074351118 /nfs/dbraw/zinc/35/11/18/1074351118.db2.gz DJZPVDRXNXQRNI-UHFFFAOYSA-N 1 0 400.361 0.933 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)cn1 ZINC000607679358 1074351151 /nfs/dbraw/zinc/35/11/51/1074351151.db2.gz IBCQFLAQTXMUKB-INIZCTEOSA-N 1 0 401.471 0.299 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cn1 ZINC000607679359 1074350988 /nfs/dbraw/zinc/35/09/88/1074350988.db2.gz IBCQFLAQTXMUKB-MRXNPFEDSA-N 1 0 401.471 0.299 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(-c3ccccn3)[nH]c2=O)cn1 ZINC000607679363 1074351207 /nfs/dbraw/zinc/35/12/07/1074351207.db2.gz IJLNNTXVFLVAKT-UHFFFAOYSA-N 1 0 409.450 0.976 20 0 HCADRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000607679374 1074351106 /nfs/dbraw/zinc/35/11/06/1074351106.db2.gz JTYZQDQTUMJPJL-CYBMUJFWSA-N 1 0 420.901 0.971 20 0 HCADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000607679375 1074351704 /nfs/dbraw/zinc/35/17/04/1074351704.db2.gz JTYZQDQTUMJPJL-ZDUSSCGKSA-N 1 0 420.901 0.971 20 0 HCADRO CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000607679409 1074351712 /nfs/dbraw/zinc/35/17/12/1074351712.db2.gz OZWPHDDORZSUEF-UHFFFAOYSA-N 1 0 422.511 0.111 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)cn1 ZINC000607679441 1074351643 /nfs/dbraw/zinc/35/16/43/1074351643.db2.gz SEEXZILOJFSUEZ-UHFFFAOYSA-N 1 0 413.438 0.016 20 0 HCADRO CN(C)C(=O)Nc1cccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000607679443 1074351788 /nfs/dbraw/zinc/35/17/88/1074351788.db2.gz SYOXBAKGJFGRNR-UHFFFAOYSA-N 1 0 401.471 0.907 20 0 HCADRO Cc1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1NS(C)(=O)=O ZINC000607679464 1074351089 /nfs/dbraw/zinc/35/10/89/1074351089.db2.gz WYRTUIBGKIICFN-UHFFFAOYSA-N 1 0 422.511 0.493 20 0 HCADRO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000607679468 1074351182 /nfs/dbraw/zinc/35/11/82/1074351182.db2.gz YATVOXXRCALDEX-IBGZPJMESA-N 1 0 412.494 0.473 20 0 HCADRO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000607679469 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Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cn1C ZINC000608168184 1074396889 /nfs/dbraw/zinc/39/68/89/1074396889.db2.gz XPCFKHULGQKEDD-QGZVFWFLSA-N 1 0 405.524 0.740 20 0 HCADRO Cn1c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000608168740 1074396817 /nfs/dbraw/zinc/39/68/17/1074396817.db2.gz PHTGVGNAQYUZSE-INIZCTEOSA-N 1 0 409.490 0.922 20 0 HCADRO Cn1c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000608168741 1074397129 /nfs/dbraw/zinc/39/71/29/1074397129.db2.gz PHTGVGNAQYUZSE-MRXNPFEDSA-N 1 0 409.490 0.922 20 0 HCADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000608169080 1074397001 /nfs/dbraw/zinc/39/70/01/1074397001.db2.gz QTIYGSGXGYNNNX-LEWJYISDSA-N 1 0 414.550 0.900 20 0 HCADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000608169081 1074397187 /nfs/dbraw/zinc/39/71/87/1074397187.db2.gz QTIYGSGXGYNNNX-NHCUHLMSSA-N 1 0 414.550 0.900 20 0 HCADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 ZINC000608210291 1074412808 /nfs/dbraw/zinc/41/28/08/1074412808.db2.gz JNMNMHUEECFQKE-INIZCTEOSA-N 1 0 412.556 0.850 20 0 HCADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 ZINC000608210292 1074412909 /nfs/dbraw/zinc/41/29/09/1074412909.db2.gz JNMNMHUEECFQKE-MRXNPFEDSA-N 1 0 412.556 0.850 20 0 HCADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 ZINC000608218330 1074412765 /nfs/dbraw/zinc/41/27/65/1074412765.db2.gz JRGIPMOOIMMECC-INIZCTEOSA-N 1 0 412.556 0.850 20 0 HCADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 ZINC000608218333 1074412604 /nfs/dbraw/zinc/41/26/04/1074412604.db2.gz JRGIPMOOIMMECC-MRXNPFEDSA-N 1 0 412.556 0.850 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2)CC1 ZINC000608224977 1074399871 /nfs/dbraw/zinc/39/98/71/1074399871.db2.gz ABTBBELLRBGQNF-SFHVURJKSA-N 1 0 410.540 0.675 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)CS(=O)(=O)NC(C)(C)C)cc2)CC1 ZINC000608225090 1074399826 /nfs/dbraw/zinc/39/98/26/1074399826.db2.gz BTDJDHUGHBFSKH-UHFFFAOYSA-N 1 0 412.556 0.969 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1=O ZINC000608238617 1074411960 /nfs/dbraw/zinc/41/19/60/1074411960.db2.gz RAVMRTQFTKSQLP-BVIKNXMNSA-N 1 0 416.526 0.363 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1=O ZINC000608238618 1074412148 /nfs/dbraw/zinc/41/21/48/1074412148.db2.gz RAVMRTQFTKSQLP-KONPQCLYSA-N 1 0 416.526 0.363 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1=O ZINC000608238619 1074412064 /nfs/dbraw/zinc/41/20/64/1074412064.db2.gz RAVMRTQFTKSQLP-LHHMISFZSA-N 1 0 416.526 0.363 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1=O ZINC000608238620 1074412156 /nfs/dbraw/zinc/41/21/56/1074412156.db2.gz RAVMRTQFTKSQLP-YFHUEUNASA-N 1 0 416.526 0.363 20 0 HCADRO Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000608269904 1074414208 /nfs/dbraw/zinc/41/42/08/1074414208.db2.gz BYGUWZFTRJDWNJ-GDBMZVCRSA-N 1 0 412.560 0.556 20 0 HCADRO Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000608269905 1074414078 /nfs/dbraw/zinc/41/40/78/1074414078.db2.gz BYGUWZFTRJDWNJ-GOEBONIOSA-N 1 0 412.560 0.556 20 0 HCADRO Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000608269906 1074414145 /nfs/dbraw/zinc/41/41/45/1074414145.db2.gz BYGUWZFTRJDWNJ-HOCLYGCPSA-N 1 0 412.560 0.556 20 0 HCADRO Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000608269907 1074414268 /nfs/dbraw/zinc/41/42/68/1074414268.db2.gz BYGUWZFTRJDWNJ-ZBFHGGJFSA-N 1 0 412.560 0.556 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC[N@@H+]1C ZINC000608304563 1074419471 /nfs/dbraw/zinc/41/94/71/1074419471.db2.gz BOJYNCOJXAWYJP-CABCVRRESA-N 1 0 410.544 0.767 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC[N@@H+]1C ZINC000608304564 1074419517 /nfs/dbraw/zinc/41/95/17/1074419517.db2.gz BOJYNCOJXAWYJP-GJZGRUSLSA-N 1 0 410.544 0.767 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC[N@@H+]1C ZINC000608304565 1074420073 /nfs/dbraw/zinc/42/00/73/1074420073.db2.gz BOJYNCOJXAWYJP-HUUCEWRRSA-N 1 0 410.544 0.767 20 0 HCADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC[N@@H+]1C ZINC000608304566 1074420085 /nfs/dbraw/zinc/42/00/85/1074420085.db2.gz BOJYNCOJXAWYJP-LSDHHAIUSA-N 1 0 410.544 0.767 20 0 HCADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cn2)CC1 ZINC000608304769 1074419587 /nfs/dbraw/zinc/41/95/87/1074419587.db2.gz MLCYLEPJWVWNIY-KRWDZBQOSA-N 1 0 420.539 0.641 20 0 HCADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cn2)CC1 ZINC000608304770 1074419630 /nfs/dbraw/zinc/41/96/30/1074419630.db2.gz MLCYLEPJWVWNIY-QGZVFWFLSA-N 1 0 420.539 0.641 20 0 HCADRO CCC[NH+]1CCN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 ZINC000608304817 1074419436 /nfs/dbraw/zinc/41/94/36/1074419436.db2.gz QTSFDMMKCXZFGR-UHFFFAOYSA-N 1 0 410.544 0.723 20 0 HCADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000608304837 1074419568 /nfs/dbraw/zinc/41/95/68/1074419568.db2.gz SVMFKVPWNNJYIT-INIZCTEOSA-N 1 0 424.571 0.969 20 0 HCADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000608304838 1074419115 /nfs/dbraw/zinc/41/91/15/1074419115.db2.gz SVMFKVPWNNJYIT-MRXNPFEDSA-N 1 0 424.571 0.969 20 0 HCADRO CNS(=O)(=O)c1ccc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000608308244 1074421206 /nfs/dbraw/zinc/42/12/06/1074421206.db2.gz QXAKMROHZQBOLV-UHFFFAOYSA-N 1 0 411.528 0.694 20 0 HCADRO CNS(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000608309523 1074422555 /nfs/dbraw/zinc/42/25/55/1074422555.db2.gz FNKVXBVJBUFWHE-UHFFFAOYSA-N 1 0 411.528 0.516 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000608309874 1074422559 /nfs/dbraw/zinc/42/25/59/1074422559.db2.gz QDMTWPOFXGTIRA-UHFFFAOYSA-N 1 0 411.528 0.613 20 0 HCADRO CNS(=O)(=O)c1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000608309938 1074421785 /nfs/dbraw/zinc/42/17/85/1074421785.db2.gz RGVICQCTJOGHSD-INIZCTEOSA-N 1 0 411.528 0.659 20 0 HCADRO CNS(=O)(=O)c1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000608309939 1074421670 /nfs/dbraw/zinc/42/16/70/1074421670.db2.gz RGVICQCTJOGHSD-MRXNPFEDSA-N 1 0 411.528 0.659 20 0 HCADRO CNS(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000608311892 1074423099 /nfs/dbraw/zinc/42/30/99/1074423099.db2.gz UOOLRWOTDAWUEF-UHFFFAOYSA-N 1 0 409.512 0.367 20 0 HCADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1 ZINC000608351579 1074424972 /nfs/dbraw/zinc/42/49/72/1074424972.db2.gz YOUFKEQGEHVKNE-UHFFFAOYSA-N 1 0 409.556 0.393 20 0 HCADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000608354941 1074424633 /nfs/dbraw/zinc/42/46/33/1074424633.db2.gz RRLPECAANVKHTJ-UHFFFAOYSA-N 1 0 408.524 0.801 20 0 HCADRO CC[NH+]1CCN(c2ccc(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000608354942 1074424805 /nfs/dbraw/zinc/42/48/05/1074424805.db2.gz RXYSBNXSJFQXAA-UHFFFAOYSA-N 1 0 423.583 0.136 20 0 HCADRO Cc1c(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000608358457 1074425604 /nfs/dbraw/zinc/42/56/04/1074425604.db2.gz UPYXLIKUTSODMD-HNNXBMFYSA-N 1 0 418.523 0.457 20 0 HCADRO Cc1c(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000608358464 1074425405 /nfs/dbraw/zinc/42/54/05/1074425405.db2.gz UPYXLIKUTSODMD-OAHLLOKOSA-N 1 0 418.523 0.457 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000608365308 1074426645 /nfs/dbraw/zinc/42/66/45/1074426645.db2.gz GGAHLQJOBCYVBL-MOPGFXCFSA-N 1 0 414.506 0.028 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000608365309 1074426300 /nfs/dbraw/zinc/42/63/00/1074426300.db2.gz GGAHLQJOBCYVBL-OALUTQOASA-N 1 0 414.506 0.028 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000608365310 1074426366 /nfs/dbraw/zinc/42/63/66/1074426366.db2.gz GGAHLQJOBCYVBL-RBUKOAKNSA-N 1 0 414.506 0.028 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000608365311 1074426463 /nfs/dbraw/zinc/42/64/63/1074426463.db2.gz GGAHLQJOBCYVBL-RTBURBONSA-N 1 0 414.506 0.028 20 0 HCADRO O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608365328 1074426319 /nfs/dbraw/zinc/42/63/19/1074426319.db2.gz GNCYRVMIBTUJAV-FCHUYYIVSA-N 1 0 416.566 0.800 20 0 HCADRO O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608365329 1074426446 /nfs/dbraw/zinc/42/64/46/1074426446.db2.gz GNCYRVMIBTUJAV-FGZHOGPDSA-N 1 0 416.566 0.800 20 0 HCADRO O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608365330 1074426474 /nfs/dbraw/zinc/42/64/74/1074426474.db2.gz GNCYRVMIBTUJAV-VXKWHMMOSA-N 1 0 416.566 0.800 20 0 HCADRO O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608365331 1074426242 /nfs/dbraw/zinc/42/62/42/1074426242.db2.gz GNCYRVMIBTUJAV-YADHBBJMSA-N 1 0 416.566 0.800 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000608380865 1074430617 /nfs/dbraw/zinc/43/06/17/1074430617.db2.gz VCFCYZDTRKEZOX-INIZCTEOSA-N 1 0 424.567 0.652 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608407778 1074430084 /nfs/dbraw/zinc/43/00/84/1074430084.db2.gz JDSNWSLDLXXIFC-AEFFLSMTSA-N 1 0 405.547 0.631 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608407782 1074430157 /nfs/dbraw/zinc/43/01/57/1074430157.db2.gz JDSNWSLDLXXIFC-FUHWJXTLSA-N 1 0 405.547 0.631 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608407784 1074430023 /nfs/dbraw/zinc/43/00/23/1074430023.db2.gz JDSNWSLDLXXIFC-SJLPKXTDSA-N 1 0 405.547 0.631 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608407786 1074430197 /nfs/dbraw/zinc/43/01/97/1074430197.db2.gz JDSNWSLDLXXIFC-WMZOPIPTSA-N 1 0 405.547 0.631 20 0 HCADRO C[NH+](C)C1(CNC(=O)COc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2C1 ZINC000608413301 1074432204 /nfs/dbraw/zinc/43/22/04/1074432204.db2.gz LJMYSINSZLBTRO-UHFFFAOYSA-N 1 0 403.504 0.928 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608423660 1074436060 /nfs/dbraw/zinc/43/60/60/1074436060.db2.gz LHYPSJUDQFKKQF-BEFAXECRSA-N 1 0 417.558 0.772 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608423661 1074435972 /nfs/dbraw/zinc/43/59/72/1074435972.db2.gz LHYPSJUDQFKKQF-DNVCBOLYSA-N 1 0 417.558 0.772 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608423662 1074436041 /nfs/dbraw/zinc/43/60/41/1074436041.db2.gz LHYPSJUDQFKKQF-HNAYVOBHSA-N 1 0 417.558 0.772 20 0 HCADRO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608423663 1074436125 /nfs/dbraw/zinc/43/61/25/1074436125.db2.gz LHYPSJUDQFKKQF-KXBFYZLASA-N 1 0 417.558 0.772 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCc1nnnn1C1CC1 ZINC000608424477 1074436139 /nfs/dbraw/zinc/43/61/39/1074436139.db2.gz VTAYQPUXPDIHNG-UHFFFAOYSA-N 1 0 400.491 0.200 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608429281 1074436026 /nfs/dbraw/zinc/43/60/26/1074436026.db2.gz BVAZJXZKKXVTDF-PBHICJAKSA-N 1 0 419.530 0.156 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608429282 1074435954 /nfs/dbraw/zinc/43/59/54/1074435954.db2.gz BVAZJXZKKXVTDF-RHSMWYFYSA-N 1 0 419.530 0.156 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608429283 1074436083 /nfs/dbraw/zinc/43/60/83/1074436083.db2.gz BVAZJXZKKXVTDF-WMLDXEAASA-N 1 0 419.530 0.156 20 0 HCADRO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608429284 1074436094 /nfs/dbraw/zinc/43/60/94/1074436094.db2.gz BVAZJXZKKXVTDF-YOEHRIQHSA-N 1 0 419.530 0.156 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608436689 1074437850 /nfs/dbraw/zinc/43/78/50/1074437850.db2.gz HAYFXLDIYWVFMS-IIDMSEBBSA-N 1 0 404.515 0.714 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608436690 1074437800 /nfs/dbraw/zinc/43/78/00/1074437800.db2.gz HAYFXLDIYWVFMS-RKVPGOIHSA-N 1 0 404.515 0.714 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608436692 1074437513 /nfs/dbraw/zinc/43/75/13/1074437513.db2.gz HAYFXLDIYWVFMS-VKJFTORMSA-N 1 0 404.515 0.714 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000608437648 1074437710 /nfs/dbraw/zinc/43/77/10/1074437710.db2.gz KCBGBUCBDQTBNG-DOTOQJQBSA-N 1 0 404.515 0.858 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000608437649 1074437504 /nfs/dbraw/zinc/43/75/04/1074437504.db2.gz KCBGBUCBDQTBNG-NVXWUHKLSA-N 1 0 404.515 0.858 20 0 HCADRO C[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000608437650 1074437383 /nfs/dbraw/zinc/43/73/83/1074437383.db2.gz KCBGBUCBDQTBNG-RDJZCZTQSA-N 1 0 404.515 0.858 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000608437651 1074437718 /nfs/dbraw/zinc/43/77/18/1074437718.db2.gz KCBGBUCBDQTBNG-WBVHZDCISA-N 1 0 404.515 0.858 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2=O)n(C)n1 ZINC000608438936 1074438634 /nfs/dbraw/zinc/43/86/34/1074438634.db2.gz VMCQEUITGALPIU-DOTOQJQBSA-N 1 0 403.531 0.302 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2=O)n(C)n1 ZINC000608438938 1074438686 /nfs/dbraw/zinc/43/86/86/1074438686.db2.gz VMCQEUITGALPIU-NVXWUHKLSA-N 1 0 403.531 0.302 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2=O)n(C)n1 ZINC000608438939 1074438568 /nfs/dbraw/zinc/43/85/68/1074438568.db2.gz VMCQEUITGALPIU-RDJZCZTQSA-N 1 0 403.531 0.302 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2=O)n(C)n1 ZINC000608438940 1074438454 /nfs/dbraw/zinc/43/84/54/1074438454.db2.gz VMCQEUITGALPIU-WBVHZDCISA-N 1 0 403.531 0.302 20 0 HCADRO Cn1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2=O)n1 ZINC000608439122 1074437813 /nfs/dbraw/zinc/43/78/13/1074437813.db2.gz CPTNRARFLQCUNQ-DOTOQJQBSA-N 1 0 403.531 0.383 20 0 HCADRO Cn1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2=O)n1 ZINC000608439123 1074437561 /nfs/dbraw/zinc/43/75/61/1074437561.db2.gz CPTNRARFLQCUNQ-NVXWUHKLSA-N 1 0 403.531 0.383 20 0 HCADRO Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2=O)n1 ZINC000608439124 1074437527 /nfs/dbraw/zinc/43/75/27/1074437527.db2.gz CPTNRARFLQCUNQ-RDJZCZTQSA-N 1 0 403.531 0.383 20 0 HCADRO Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2=O)n1 ZINC000608439125 1074437858 /nfs/dbraw/zinc/43/78/58/1074437858.db2.gz CPTNRARFLQCUNQ-WBVHZDCISA-N 1 0 403.531 0.383 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439237 1074437406 /nfs/dbraw/zinc/43/74/06/1074437406.db2.gz MUQIRDQLLYPGES-IIDMSEBBSA-N 1 0 403.531 0.382 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439238 1074437733 /nfs/dbraw/zinc/43/77/33/1074437733.db2.gz MUQIRDQLLYPGES-RKVPGOIHSA-N 1 0 403.531 0.382 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439239 1074437611 /nfs/dbraw/zinc/43/76/11/1074437611.db2.gz MUQIRDQLLYPGES-RVKKMQEKSA-N 1 0 403.531 0.382 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439240 1074437464 /nfs/dbraw/zinc/43/74/64/1074437464.db2.gz MUQIRDQLLYPGES-VKJFTORMSA-N 1 0 403.531 0.382 20 0 HCADRO CN(C)S(=O)(=O)N1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000608442944 1074438625 /nfs/dbraw/zinc/43/86/25/1074438625.db2.gz UMQZKXSISLLWQY-UHFFFAOYSA-N 1 0 409.556 0.219 20 0 HCADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000608458057 1074444318 /nfs/dbraw/zinc/44/43/18/1074444318.db2.gz YWGIYSGAHVRUJT-INIZCTEOSA-N 1 0 424.567 0.411 20 0 HCADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000608458058 1074444466 /nfs/dbraw/zinc/44/44/66/1074444466.db2.gz YWGIYSGAHVRUJT-MRXNPFEDSA-N 1 0 424.567 0.411 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCc2nnnn2C2CC2)CC1 ZINC000608464941 1074445982 /nfs/dbraw/zinc/44/59/82/1074445982.db2.gz BVVRZTQCIAKDCP-UHFFFAOYSA-N 1 0 414.514 0.980 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCc3nnnn3C3CC3)c2)C1 ZINC000608465004 1074445824 /nfs/dbraw/zinc/44/58/24/1074445824.db2.gz FSQZWKGACZLOLJ-INIZCTEOSA-N 1 0 412.498 0.705 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCc3nnnn3C3CC3)c2)C1 ZINC000608465005 1074445666 /nfs/dbraw/zinc/44/56/66/1074445666.db2.gz FSQZWKGACZLOLJ-MRXNPFEDSA-N 1 0 412.498 0.705 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000608466205 1074446423 /nfs/dbraw/zinc/44/64/23/1074446423.db2.gz PQXUAEPBHJJNKW-DOTOQJQBSA-N 1 0 423.535 0.737 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000608466206 1074446570 /nfs/dbraw/zinc/44/65/70/1074446570.db2.gz PQXUAEPBHJJNKW-RDJZCZTQSA-N 1 0 423.535 0.737 20 0 HCADRO CN1CCC(CNC(=O)COc2ccc(S(N)(=O)=O)cc2)([NH+]2CCCCC2)CC1 ZINC000608474009 1074441153 /nfs/dbraw/zinc/44/11/53/1074441153.db2.gz OFZMKOXFOIBVKB-UHFFFAOYSA-N 1 0 424.567 0.779 20 0 HCADRO COc1ccc(C(=O)NCC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1OC ZINC000608475404 1074441334 /nfs/dbraw/zinc/44/13/34/1074441334.db2.gz JSFQKTQBGGKPMP-KRWDZBQOSA-N 1 0 406.527 0.822 20 0 HCADRO COc1ccc(C(=O)NCC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1OC ZINC000608475405 1074442199 /nfs/dbraw/zinc/44/21/99/1074442199.db2.gz JSFQKTQBGGKPMP-QGZVFWFLSA-N 1 0 406.527 0.822 20 0 HCADRO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608479458 1074442918 /nfs/dbraw/zinc/44/29/18/1074442918.db2.gz MKTCCFOXKYBBJL-IBGZPJMESA-N 1 0 407.492 0.911 20 0 HCADRO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608479459 1074443083 /nfs/dbraw/zinc/44/30/83/1074443083.db2.gz MKTCCFOXKYBBJL-LJQANCHMSA-N 1 0 407.492 0.911 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCCn1cncn1 ZINC000608512468 1074448999 /nfs/dbraw/zinc/44/89/99/1074448999.db2.gz DNMOMKZQHISWEM-UHFFFAOYSA-N 1 0 415.498 0.574 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1-n1cnnn1 ZINC000608513863 1074450558 /nfs/dbraw/zinc/45/05/58/1074450558.db2.gz NKRJWCGXBXKWRO-UHFFFAOYSA-N 1 0 408.422 0.353 20 0 HCADRO CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)cc21 ZINC000608514168 1074449862 /nfs/dbraw/zinc/44/98/62/1074449862.db2.gz CLKAJBIRMOFNAI-INIZCTEOSA-N 1 0 416.478 0.694 20 0 HCADRO CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)cc21 ZINC000608514169 1074449647 /nfs/dbraw/zinc/44/96/47/1074449647.db2.gz CLKAJBIRMOFNAI-MRXNPFEDSA-N 1 0 416.478 0.694 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)CC1 ZINC000608514277 1074450528 /nfs/dbraw/zinc/45/05/28/1074450528.db2.gz AFLDEKVRDURNFT-UHFFFAOYSA-N 1 0 416.526 0.687 20 0 HCADRO CN1C(=O)COc2ccc(NC(=O)C(=O)NCC(C)(C)N3CC[NH+](C)CC3)cc21 ZINC000608514302 1074449809 /nfs/dbraw/zinc/44/98/09/1074449809.db2.gz GQDUZIKYJJUWAI-UHFFFAOYSA-N 1 0 403.483 0.123 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(CC)CC(=O)N(C)C ZINC000608514489 1074449909 /nfs/dbraw/zinc/44/99/09/1074449909.db2.gz FIFOLFIPJQIALR-UHFFFAOYSA-N 1 0 419.526 0.712 20 0 HCADRO CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000608514499 1074449962 /nfs/dbraw/zinc/44/99/62/1074449962.db2.gz HSWQLCXUVYXLOE-UHFFFAOYSA-N 1 0 419.526 0.188 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000608516017 1074451192 /nfs/dbraw/zinc/45/11/92/1074451192.db2.gz XJYBJGQQRGABGJ-AWEZNQCLSA-N 1 0 403.483 0.346 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000608516018 1074451555 /nfs/dbraw/zinc/45/15/55/1074451555.db2.gz XJYBJGQQRGABGJ-CQSZACIVSA-N 1 0 403.483 0.346 20 0 HCADRO Cc1cc(CNC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)no1 ZINC000608516189 1074451247 /nfs/dbraw/zinc/45/12/47/1074451247.db2.gz BKGWYZJDCGTTGF-UHFFFAOYSA-N 1 0 401.467 0.864 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2c(F)cc(F)cc2F)CC1 ZINC000608516850 1074452382 /nfs/dbraw/zinc/45/23/82/1074452382.db2.gz VAQDDUQTNRFAPG-UHFFFAOYSA-N 1 0 400.401 0.959 20 0 HCADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H]([NH+]3CCCC3)C1)CC2 ZINC000608517929 1074460048 /nfs/dbraw/zinc/46/00/48/1074460048.db2.gz OESBANPZINLPIR-INIZCTEOSA-N 1 0 420.535 0.571 20 0 HCADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@H]([NH+]3CCCC3)C1)CC2 ZINC000608517930 1074460088 /nfs/dbraw/zinc/46/00/88/1074460088.db2.gz OESBANPZINLPIR-MRXNPFEDSA-N 1 0 420.535 0.571 20 0 HCADRO Cc1nc2cc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)ccc2n1C ZINC000608517966 1074460039 /nfs/dbraw/zinc/46/00/39/1074460039.db2.gz DHERAUNLCVWVSX-UHFFFAOYSA-N 1 0 412.494 0.587 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1 ZINC000608518111 1074459594 /nfs/dbraw/zinc/45/95/94/1074459594.db2.gz SMITXNTYJHFSHR-UHFFFAOYSA-N 1 0 414.510 0.833 20 0 HCADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)CC2 ZINC000608518682 1074460806 /nfs/dbraw/zinc/46/08/06/1074460806.db2.gz QBJIWJTUXFBLTF-UHFFFAOYSA-N 1 0 422.551 0.817 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1-n1cnnn1 ZINC000608518690 1074460874 /nfs/dbraw/zinc/46/08/74/1074460874.db2.gz WMWGSCZIAXGULW-UHFFFAOYSA-N 1 0 401.471 0.942 20 0 HCADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000608518792 1074460815 /nfs/dbraw/zinc/46/08/15/1074460815.db2.gz KONYJOUVLGZIFA-HNNXBMFYSA-N 1 0 406.508 0.084 20 0 HCADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000608518793 1074460921 /nfs/dbraw/zinc/46/09/21/1074460921.db2.gz KONYJOUVLGZIFA-OAHLLOKOSA-N 1 0 406.508 0.084 20 0 HCADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000608518881 1074460852 /nfs/dbraw/zinc/46/08/52/1074460852.db2.gz ZUEQBSPKDSMNHY-INIZCTEOSA-N 1 0 420.535 0.474 20 0 HCADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000608518882 1074460902 /nfs/dbraw/zinc/46/09/02/1074460902.db2.gz ZUEQBSPKDSMNHY-MRXNPFEDSA-N 1 0 420.535 0.474 20 0 HCADRO Cc1nc2cc(NC(=O)C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)ccc2n1C ZINC000608519183 1074460030 /nfs/dbraw/zinc/46/00/30/1074460030.db2.gz KXSAMRZPSTYKGP-UHFFFAOYSA-N 1 0 414.510 0.879 20 0 HCADRO CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)cc21 ZINC000608519665 1074461717 /nfs/dbraw/zinc/46/17/17/1074461717.db2.gz FBHWCBOVEZBINV-INIZCTEOSA-N 1 0 415.494 0.219 20 0 HCADRO CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cc21 ZINC000608519666 1074461568 /nfs/dbraw/zinc/46/15/68/1074461568.db2.gz FBHWCBOVEZBINV-MRXNPFEDSA-N 1 0 415.494 0.219 20 0 HCADRO Cc1cc(CNC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)[nH]n1 ZINC000608521145 1074461627 /nfs/dbraw/zinc/46/16/27/1074461627.db2.gz MWAJEUZYQWOHGD-UHFFFAOYSA-N 1 0 400.483 0.599 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000608521244 1074461755 /nfs/dbraw/zinc/46/17/55/1074461755.db2.gz DPTVYAXISPLRHU-GOSISDBHSA-N 1 0 413.522 0.756 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000608521245 1074461409 /nfs/dbraw/zinc/46/14/09/1074461409.db2.gz DPTVYAXISPLRHU-SFHVURJKSA-N 1 0 413.522 0.756 20 0 HCADRO O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000608521246 1074461680 /nfs/dbraw/zinc/46/16/80/1074461680.db2.gz DRWIMLRPVPFYLM-HNNXBMFYSA-N 1 0 406.508 0.763 20 0 HCADRO O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000608521247 1074461811 /nfs/dbraw/zinc/46/18/11/1074461811.db2.gz DRWIMLRPVPFYLM-OAHLLOKOSA-N 1 0 406.508 0.763 20 0 HCADRO Cc1nc2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)ccc2n1C ZINC000608521278 1074461837 /nfs/dbraw/zinc/46/18/37/1074461837.db2.gz CCTINCXYHJLYAU-AWEZNQCLSA-N 1 0 400.483 0.524 20 0 HCADRO Cc1nc2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc2n1C ZINC000608521279 1074461607 /nfs/dbraw/zinc/46/16/07/1074461607.db2.gz CCTINCXYHJLYAU-CQSZACIVSA-N 1 0 400.483 0.524 20 0 HCADRO CC(=O)Nc1c(C)ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000608521293 1074461509 /nfs/dbraw/zinc/46/15/09/1074461509.db2.gz IRQAKWVLOQVBJB-INIZCTEOSA-N 1 0 417.510 0.904 20 0 HCADRO CC(=O)Nc1c(C)ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000608521294 1074461375 /nfs/dbraw/zinc/46/13/75/1074461375.db2.gz IRQAKWVLOQVBJB-MRXNPFEDSA-N 1 0 417.510 0.904 20 0 HCADRO CCN1CCc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc21 ZINC000608521314 1074461533 /nfs/dbraw/zinc/46/15/33/1074461533.db2.gz YJRNMNVMXFSAAL-INIZCTEOSA-N 1 0 401.511 0.711 20 0 HCADRO CCN1CCc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc21 ZINC000608521315 1074461737 /nfs/dbraw/zinc/46/17/37/1074461737.db2.gz YJRNMNVMXFSAAL-MRXNPFEDSA-N 1 0 401.511 0.711 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000608525245 1074462974 /nfs/dbraw/zinc/46/29/74/1074462974.db2.gz WYMYFKUEXNOULR-CVEARBPZSA-N 1 0 401.511 0.612 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000608525246 1074462938 /nfs/dbraw/zinc/46/29/38/1074462938.db2.gz WYMYFKUEXNOULR-HOTGVXAUSA-N 1 0 401.511 0.612 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000608525247 1074463085 /nfs/dbraw/zinc/46/30/85/1074463085.db2.gz WYMYFKUEXNOULR-HZPDHXFCSA-N 1 0 401.511 0.612 20 0 HCADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000608525248 1074463012 /nfs/dbraw/zinc/46/30/12/1074463012.db2.gz WYMYFKUEXNOULR-JKSUJKDBSA-N 1 0 401.511 0.612 20 0 HCADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000608526111 1074463722 /nfs/dbraw/zinc/46/37/22/1074463722.db2.gz BADCPLGZAOEHJI-UHFFFAOYSA-N 1 0 419.526 0.097 20 0 HCADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 ZINC000608526138 1074463620 /nfs/dbraw/zinc/46/36/20/1074463620.db2.gz VBHPNWJYVWGNAL-UHFFFAOYSA-N 1 0 405.455 0.108 20 0 HCADRO CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000608532336 1074454164 /nfs/dbraw/zinc/45/41/64/1074454164.db2.gz KBPSHTQRTVBIDD-KRWDZBQOSA-N 1 0 411.506 0.485 20 0 HCADRO CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000608532339 1074454040 /nfs/dbraw/zinc/45/40/40/1074454040.db2.gz KBPSHTQRTVBIDD-QGZVFWFLSA-N 1 0 411.506 0.485 20 0 HCADRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000608532425 1074453986 /nfs/dbraw/zinc/45/39/86/1074453986.db2.gz SQEAVMWAUBMFRQ-HNNXBMFYSA-N 1 0 409.508 0.518 20 0 HCADRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000608532426 1074454114 /nfs/dbraw/zinc/45/41/14/1074454114.db2.gz SQEAVMWAUBMFRQ-OAHLLOKOSA-N 1 0 409.508 0.518 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cc21 ZINC000608532435 1074454151 /nfs/dbraw/zinc/45/41/51/1074454151.db2.gz WSTZGDARNIQFQT-INIZCTEOSA-N 1 0 415.494 0.802 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc21 ZINC000608532436 1074454011 /nfs/dbraw/zinc/45/40/11/1074454011.db2.gz WSTZGDARNIQFQT-MRXNPFEDSA-N 1 0 415.494 0.802 20 0 HCADRO O=C(Nc1cccc(CN2CCCC2=O)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000608532624 1074454236 /nfs/dbraw/zinc/45/42/36/1074454236.db2.gz HQQRBPATHQMGFL-SFHVURJKSA-N 1 0 414.506 0.928 20 0 HCADRO COCCOCc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000608532638 1074454023 /nfs/dbraw/zinc/45/40/23/1074454023.db2.gz YFRQGLIPLQHEJB-GOSISDBHSA-N 1 0 405.495 0.969 20 0 HCADRO COCCOCc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000608532639 1074454765 /nfs/dbraw/zinc/45/47/65/1074454765.db2.gz YFRQGLIPLQHEJB-SFHVURJKSA-N 1 0 405.495 0.969 20 0 HCADRO CN1CCC(CNC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)([NH+]2CCCCC2)CC1 ZINC000608537149 1074454870 /nfs/dbraw/zinc/45/48/70/1074454870.db2.gz IVFHWYDSDNOUMO-UHFFFAOYSA-N 1 0 419.501 0.930 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3nnnn3C3CC3)c(C)c2)CC1 ZINC000608543384 1074455879 /nfs/dbraw/zinc/45/58/79/1074455879.db2.gz SVKVVFSBDNEISZ-UHFFFAOYSA-N 1 0 412.498 0.713 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCc3nnnn3C3CC3)cc2)CC1 ZINC000608543390 1074456650 /nfs/dbraw/zinc/45/66/50/1074456650.db2.gz TZUWEFSJDCFKOK-UHFFFAOYSA-N 1 0 412.498 0.400 20 0 HCADRO O=C(NCc1nnnn1C1CC1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000608543442 1074456703 /nfs/dbraw/zinc/45/67/03/1074456703.db2.gz XDSLATZLBYPNPD-UHFFFAOYSA-N 1 0 415.523 0.854 20 0 HCADRO O=C(NCc1nnnn1C1CC1)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000608543469 1074456720 /nfs/dbraw/zinc/45/67/20/1074456720.db2.gz YLEUIPFKVYXNJU-UHFFFAOYSA-N 1 0 424.509 0.795 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2nnnn2C2CC2)cc1Cl ZINC000608546830 1074457761 /nfs/dbraw/zinc/45/77/61/1074457761.db2.gz FSTUQDROBXCNNR-UHFFFAOYSA-N 1 0 407.862 0.857 20 0 HCADRO O=C(NCc1nnnn1C1CC1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000608547449 1074457306 /nfs/dbraw/zinc/45/73/06/1074457306.db2.gz VYOOZGJAQHMSAF-UHFFFAOYSA-N 1 0 401.496 0.812 20 0 HCADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000608547823 1074459669 /nfs/dbraw/zinc/45/96/69/1074459669.db2.gz GTZXRVWPJGHGQZ-KRWDZBQOSA-N 1 0 415.538 0.955 20 0 HCADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000608547824 1074459636 /nfs/dbraw/zinc/45/96/36/1074459636.db2.gz GTZXRVWPJGHGQZ-QGZVFWFLSA-N 1 0 415.538 0.955 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000608548857 1074459368 /nfs/dbraw/zinc/45/93/68/1074459368.db2.gz NVWPCGGTFHRRNS-KRWDZBQOSA-N 1 0 415.538 0.813 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000608548858 1074459609 /nfs/dbraw/zinc/45/96/09/1074459609.db2.gz NVWPCGGTFHRRNS-QGZVFWFLSA-N 1 0 415.538 0.813 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C(=O)N1c1cnn(C)c1 ZINC000608552105 1074464669 /nfs/dbraw/zinc/46/46/69/1074464669.db2.gz HYKKDLZGKHTQSY-KBXCAEBGSA-N 1 0 412.494 0.773 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C(=O)N1c1cnn(C)c1 ZINC000608552106 1074464620 /nfs/dbraw/zinc/46/46/20/1074464620.db2.gz HYKKDLZGKHTQSY-KDOFPFPSSA-N 1 0 412.494 0.773 20 0 HCADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C(=O)N1c1cnn(C)c1 ZINC000608552107 1074464720 /nfs/dbraw/zinc/46/47/20/1074464720.db2.gz HYKKDLZGKHTQSY-KSSFIOAISA-N 1 0 412.494 0.773 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C(=O)N1c1cnn(C)c1 ZINC000608552108 1074464689 /nfs/dbraw/zinc/46/46/89/1074464689.db2.gz HYKKDLZGKHTQSY-RDTXWAMCSA-N 1 0 412.494 0.773 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000608560431 1074470447 /nfs/dbraw/zinc/47/04/47/1074470447.db2.gz MGQOAKPFMJQLAB-GFCCVEGCSA-N 1 0 402.904 0.781 20 0 HCADRO CS(=O)(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000608560432 1074470512 /nfs/dbraw/zinc/47/05/12/1074470512.db2.gz MGQOAKPFMJQLAB-LBPRGKRZSA-N 1 0 402.904 0.781 20 0 HCADRO C[C@H](NC(=O)CNC(=O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1 ZINC000608562184 1074471022 /nfs/dbraw/zinc/47/10/22/1074471022.db2.gz AOMLSQRSCPQRFV-IPELMVKDSA-N 1 0 406.502 0.650 20 0 HCADRO C[C@H](NC(=O)CNC(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1 ZINC000608562186 1074471128 /nfs/dbraw/zinc/47/11/28/1074471128.db2.gz AOMLSQRSCPQRFV-KFKAGJAMSA-N 1 0 406.502 0.650 20 0 HCADRO C[C@H](NC(=O)CNC(=O)CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1 ZINC000608562187 1074471069 /nfs/dbraw/zinc/47/10/69/1074471069.db2.gz AOMLSQRSCPQRFV-SNRMKQJTSA-N 1 0 406.502 0.650 20 0 HCADRO C[C@H](NC(=O)CNC(=O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1 ZINC000608562188 1074471118 /nfs/dbraw/zinc/47/11/18/1074471118.db2.gz AOMLSQRSCPQRFV-ZYSHUDEJSA-N 1 0 406.502 0.650 20 0 HCADRO C[C@H](NC(=O)CNC(=O)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000608563491 1074471076 /nfs/dbraw/zinc/47/10/76/1074471076.db2.gz FTWULZKBRUQKSW-FXAWDEMLSA-N 1 0 419.545 0.831 20 0 HCADRO C[C@H](NC(=O)CNC(=O)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000608563502 1074471031 /nfs/dbraw/zinc/47/10/31/1074471031.db2.gz FTWULZKBRUQKSW-PXNSSMCTSA-N 1 0 419.545 0.831 20 0 HCADRO C[C@@H](NC(=O)CNC(=O)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000608563503 1074471134 /nfs/dbraw/zinc/47/11/34/1074471134.db2.gz FTWULZKBRUQKSW-XLIONFOSSA-N 1 0 419.545 0.831 20 0 HCADRO C[C@@H](NC(=O)CNC(=O)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000608563504 1074471712 /nfs/dbraw/zinc/47/17/12/1074471712.db2.gz FTWULZKBRUQKSW-YLJYHZDGSA-N 1 0 419.545 0.831 20 0 HCADRO Cn1c2c(ccn2CC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)c(=O)n(C)c1=O ZINC000608583173 1074475114 /nfs/dbraw/zinc/47/51/14/1074475114.db2.gz WFORKDNVDOOSMJ-UHFFFAOYSA-N 1 0 424.505 0.425 20 0 HCADRO Cc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000608590761 1074475700 /nfs/dbraw/zinc/47/57/00/1074475700.db2.gz HNXOONOSEQCLKE-UHFFFAOYSA-N 1 0 419.489 0.856 20 0 HCADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000608613594 1074474460 /nfs/dbraw/zinc/47/44/60/1074474460.db2.gz KRNCCFVDUFBQCB-CABCVRRESA-N 1 0 411.524 0.973 20 0 HCADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000608613595 1074474533 /nfs/dbraw/zinc/47/45/33/1074474533.db2.gz KRNCCFVDUFBQCB-GJZGRUSLSA-N 1 0 411.524 0.973 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000608625805 1074479910 /nfs/dbraw/zinc/47/99/10/1074479910.db2.gz HGRUIBLPGRCAJV-INIZCTEOSA-N 1 0 411.572 0.419 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000608625808 1074479953 /nfs/dbraw/zinc/47/99/53/1074479953.db2.gz HGRUIBLPGRCAJV-MRXNPFEDSA-N 1 0 411.572 0.419 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000608626059 1074479442 /nfs/dbraw/zinc/47/94/42/1074479442.db2.gz XEGOXVQCEWZJFP-GOSISDBHSA-N 1 0 412.556 0.988 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000608626060 1074479323 /nfs/dbraw/zinc/47/93/23/1074479323.db2.gz XEGOXVQCEWZJFP-SFHVURJKSA-N 1 0 412.556 0.988 20 0 HCADRO C[C@@H](CNC(=O)NCC1(NS(C)(=O)=O)CCCCC1)C[NH+]1CCN(C)CC1 ZINC000608628454 1074480008 /nfs/dbraw/zinc/48/00/08/1074480008.db2.gz LRRGDCOITYPKBF-INIZCTEOSA-N 1 0 403.593 0.421 20 0 HCADRO C[C@H](CNC(=O)NCC1(NS(C)(=O)=O)CCCCC1)C[NH+]1CCN(C)CC1 ZINC000608628458 1074480203 /nfs/dbraw/zinc/48/02/03/1074480203.db2.gz LRRGDCOITYPKBF-MRXNPFEDSA-N 1 0 403.593 0.421 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000608628710 1074480118 /nfs/dbraw/zinc/48/01/18/1074480118.db2.gz UPMUICZRNCDGLY-INIZCTEOSA-N 1 0 404.577 0.991 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000608628711 1074479783 /nfs/dbraw/zinc/47/97/83/1074479783.db2.gz UPMUICZRNCDGLY-MRXNPFEDSA-N 1 0 404.577 0.991 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000608628905 1074480847 /nfs/dbraw/zinc/48/08/47/1074480847.db2.gz ZWNRFMAVYBLOEE-KRWDZBQOSA-N 1 0 417.620 0.811 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000608628909 1074480764 /nfs/dbraw/zinc/48/07/64/1074480764.db2.gz ZWNRFMAVYBLOEE-QGZVFWFLSA-N 1 0 417.620 0.811 20 0 HCADRO CC(C)[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)[NH+]1CCN(C)CC1 ZINC000608629125 1074480703 /nfs/dbraw/zinc/48/07/03/1074480703.db2.gz QJYKSVYDSZVETF-JQHSSLGASA-N 1 0 405.547 0.485 20 0 HCADRO CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)[NH+]1CCN(C)CC1 ZINC000608629131 1074480614 /nfs/dbraw/zinc/48/06/14/1074480614.db2.gz QJYKSVYDSZVETF-NJAFHUGGSA-N 1 0 405.547 0.485 20 0 HCADRO CC(C)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)[NH+]1CCN(C)CC1 ZINC000608629133 1074480841 /nfs/dbraw/zinc/48/08/41/1074480841.db2.gz QJYKSVYDSZVETF-NXHRZFHOSA-N 1 0 405.547 0.485 20 0 HCADRO CC(C)[C@H](CNC(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)[NH+]1CCN(C)CC1 ZINC000608629135 1074480779 /nfs/dbraw/zinc/48/07/79/1074480779.db2.gz QJYKSVYDSZVETF-SZMVWBNQSA-N 1 0 405.547 0.485 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000608629321 1074479819 /nfs/dbraw/zinc/47/98/19/1074479819.db2.gz JZLVHNPCWAYTRU-GOSISDBHSA-N 1 0 417.554 0.992 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000608629322 1074480086 /nfs/dbraw/zinc/48/00/86/1074480086.db2.gz JZLVHNPCWAYTRU-SFHVURJKSA-N 1 0 417.554 0.992 20 0 HCADRO COc1ccc(C[C@H](CO)CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1O ZINC000608629653 1074480687 /nfs/dbraw/zinc/48/06/87/1074480687.db2.gz PGHLDMIGAOQFPI-KRWDZBQOSA-N 1 0 408.543 0.877 20 0 HCADRO COc1ccc(C[C@@H](CO)CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1O ZINC000608629654 1074480653 /nfs/dbraw/zinc/48/06/53/1074480653.db2.gz PGHLDMIGAOQFPI-QGZVFWFLSA-N 1 0 408.543 0.877 20 0 HCADRO C[C@@H](CNC(=O)NCCN1CCN(c2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000608637480 1074476967 /nfs/dbraw/zinc/47/69/67/1074476967.db2.gz QDAXIYINAKMIRH-FQEVSTJZSA-N 1 0 402.587 0.991 20 0 HCADRO C[C@H](CNC(=O)NCCN1CCN(c2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000608637481 1074476875 /nfs/dbraw/zinc/47/68/75/1074476875.db2.gz QDAXIYINAKMIRH-HXUWFJFHSA-N 1 0 402.587 0.991 20 0 HCADRO CN(CCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)S(C)(=O)=O ZINC000608640153 1074477555 /nfs/dbraw/zinc/47/75/55/1074477555.db2.gz NOHZARICUVJBCN-UHFFFAOYSA-N 1 0 403.593 0.517 20 0 HCADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)NCCS(N)(=O)=O)CC1 ZINC000608641256 1074477663 /nfs/dbraw/zinc/47/76/63/1074477663.db2.gz AHGSEKDENHYIIG-UHFFFAOYSA-N 1 0 423.461 0.545 20 0 HCADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000608661069 1074481479 /nfs/dbraw/zinc/48/14/79/1074481479.db2.gz IBVLBNVKRVROTM-IBGZPJMESA-N 1 0 423.583 0.480 20 0 HCADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000608661070 1074481834 /nfs/dbraw/zinc/48/18/34/1074481834.db2.gz IBVLBNVKRVROTM-LJQANCHMSA-N 1 0 423.583 0.480 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000608664414 1074481971 /nfs/dbraw/zinc/48/19/71/1074481971.db2.gz OJZMDWSQQCJWDH-DJIMGWMZSA-N 1 0 419.530 0.156 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000608664415 1074481880 /nfs/dbraw/zinc/48/18/80/1074481880.db2.gz OJZMDWSQQCJWDH-HYVNUMGLSA-N 1 0 419.530 0.156 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000608664416 1074481954 /nfs/dbraw/zinc/48/19/54/1074481954.db2.gz OJZMDWSQQCJWDH-OIISXLGYSA-N 1 0 419.530 0.156 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000608664417 1074482034 /nfs/dbraw/zinc/48/20/34/1074482034.db2.gz OJZMDWSQQCJWDH-PVAVHDDUSA-N 1 0 419.530 0.156 20 0 HCADRO O=C(NCCCN1CCCS1(=O)=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000608664514 1074482692 /nfs/dbraw/zinc/48/26/92/1074482692.db2.gz HKWAAVANVFBKPM-UHFFFAOYSA-N 1 0 402.561 0.698 20 0 HCADRO CN1CCC(CNC(=O)NCCCN2CCCS2(=O)=O)([NH+]2CCCCC2)CC1 ZINC000608664703 1074482704 /nfs/dbraw/zinc/48/27/04/1074482704.db2.gz LUXGNDSJCOMDDC-UHFFFAOYSA-N 1 0 415.604 0.662 20 0 HCADRO C[C@@H]1CC(=O)NCCN1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000608674534 1074483296 /nfs/dbraw/zinc/48/32/96/1074483296.db2.gz GPOVDUQCKZGRGN-CRAIPNDOSA-N 1 0 401.511 0.804 20 0 HCADRO C[C@H]1CC(=O)NCCN1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000608674535 1074483431 /nfs/dbraw/zinc/48/34/31/1074483431.db2.gz GPOVDUQCKZGRGN-MAUKXSAKSA-N 1 0 401.511 0.804 20 0 HCADRO C[C@@H]1CC(=O)NCCN1C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000608674536 1074483455 /nfs/dbraw/zinc/48/34/55/1074483455.db2.gz GPOVDUQCKZGRGN-QAPCUYQASA-N 1 0 401.511 0.804 20 0 HCADRO C[C@H]1CC(=O)NCCN1C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000608674537 1074483351 /nfs/dbraw/zinc/48/33/51/1074483351.db2.gz GPOVDUQCKZGRGN-YJBOKZPZSA-N 1 0 401.511 0.804 20 0 HCADRO COCCC[N@H+](C)CCNC(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000608675941 1074484136 /nfs/dbraw/zinc/48/41/36/1074484136.db2.gz KTEGTAVIJPSPDG-GOSISDBHSA-N 1 0 402.499 0.794 20 0 HCADRO COCCC[N@H+](C)CCNC(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000608675946 1074484165 /nfs/dbraw/zinc/48/41/65/1074484165.db2.gz KTEGTAVIJPSPDG-SFHVURJKSA-N 1 0 402.499 0.794 20 0 HCADRO CN1CCC(CNC(=O)NCC(C)(C)NS(C)(=O)=O)([NH+]2CCCCC2)CC1 ZINC000608676332 1074484104 /nfs/dbraw/zinc/48/41/04/1074484104.db2.gz FDJCIQZNCKGBED-UHFFFAOYSA-N 1 0 403.593 0.564 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000608679596 1074484058 /nfs/dbraw/zinc/48/40/58/1074484058.db2.gz GGPZCRGSKWLVFZ-MSOLQXFVSA-N 1 0 416.570 0.937 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000608679597 1074484150 /nfs/dbraw/zinc/48/41/50/1074484150.db2.gz GGPZCRGSKWLVFZ-QZTJIDSGSA-N 1 0 416.570 0.937 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000608679598 1074483862 /nfs/dbraw/zinc/48/38/62/1074483862.db2.gz GGPZCRGSKWLVFZ-ROUUACIJSA-N 1 0 416.570 0.937 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000608679599 1074484119 /nfs/dbraw/zinc/48/41/19/1074484119.db2.gz GGPZCRGSKWLVFZ-ZWKOTPCHSA-N 1 0 416.570 0.937 20 0 HCADRO C[C@@H](CNC(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)C[NH+]1CCN(C)CC1 ZINC000608679616 1074483951 /nfs/dbraw/zinc/48/39/51/1074483951.db2.gz SMDOHFVDLOAPSU-INIZCTEOSA-N 1 0 411.572 0.765 20 0 HCADRO C[C@H](CNC(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)C[NH+]1CCN(C)CC1 ZINC000608679621 1074484176 /nfs/dbraw/zinc/48/41/76/1074484176.db2.gz SMDOHFVDLOAPSU-MRXNPFEDSA-N 1 0 411.572 0.765 20 0 HCADRO C[C@@H](CNC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCN(C)CC1 ZINC000608680031 1074484660 /nfs/dbraw/zinc/48/46/60/1074484660.db2.gz RDRRAULFKPHFDA-DLBZAZTESA-N 1 0 402.543 0.547 20 0 HCADRO C[C@H](CNC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCN(C)CC1 ZINC000608680032 1074484773 /nfs/dbraw/zinc/48/47/73/1074484773.db2.gz RDRRAULFKPHFDA-IAGOWNOFSA-N 1 0 402.543 0.547 20 0 HCADRO C[C@@H](CNC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCN(C)CC1 ZINC000608680033 1074485025 /nfs/dbraw/zinc/48/50/25/1074485025.db2.gz RDRRAULFKPHFDA-IRXDYDNUSA-N 1 0 402.543 0.547 20 0 HCADRO C[C@H](CNC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCN(C)CC1 ZINC000608680034 1074485055 /nfs/dbraw/zinc/48/50/55/1074485055.db2.gz RDRRAULFKPHFDA-SJORKVTESA-N 1 0 402.543 0.547 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000608685869 1074486168 /nfs/dbraw/zinc/48/61/68/1074486168.db2.gz GUVJZWKHYQZJSO-GOSISDBHSA-N 1 0 408.591 0.351 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000608685870 1074486123 /nfs/dbraw/zinc/48/61/23/1074486123.db2.gz GUVJZWKHYQZJSO-SFHVURJKSA-N 1 0 408.591 0.351 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000608685953 1074486308 /nfs/dbraw/zinc/48/63/08/1074486308.db2.gz PQCNKDLFSDJROB-AWEZNQCLSA-N 1 0 402.492 0.725 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000608685954 1074486342 /nfs/dbraw/zinc/48/63/42/1074486342.db2.gz PQCNKDLFSDJROB-CQSZACIVSA-N 1 0 402.492 0.725 20 0 HCADRO C[C@H](CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F)C[NH+]1CCN(C)CC1 ZINC000608685983 1074486060 /nfs/dbraw/zinc/48/60/60/1074486060.db2.gz ACACXVRTFLYVDH-CYBMUJFWSA-N 1 0 401.508 0.156 20 0 HCADRO C[C@@H](CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F)C[NH+]1CCN(C)CC1 ZINC000608685991 1074486356 /nfs/dbraw/zinc/48/63/56/1074486356.db2.gz ACACXVRTFLYVDH-ZDUSSCGKSA-N 1 0 401.508 0.156 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000608686001 1074486260 /nfs/dbraw/zinc/48/62/60/1074486260.db2.gz QNQIKAARXDXKBN-AWEZNQCLSA-N 1 0 415.535 0.546 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000608686009 1074486237 /nfs/dbraw/zinc/48/62/37/1074486237.db2.gz QNQIKAARXDXKBN-CQSZACIVSA-N 1 0 415.535 0.546 20 0 HCADRO CC(C)OCCOC[C@@H](O)CN(C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000608686691 1074486092 /nfs/dbraw/zinc/48/60/92/1074486092.db2.gz RVMUSOSPRHAXFZ-HKUYNNGSSA-N 1 0 400.564 0.599 20 0 HCADRO CC(C)OCCOC[C@H](O)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000608686692 1074486033 /nfs/dbraw/zinc/48/60/33/1074486033.db2.gz RVMUSOSPRHAXFZ-IEBWSBKVSA-N 1 0 400.564 0.599 20 0 HCADRO CC(C)OCCOC[C@@H](O)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000608686693 1074486377 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CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608709264 1074490382 /nfs/dbraw/zinc/49/03/82/1074490382.db2.gz NBGBRKAMDHIOTH-RYRKJORJSA-N 1 0 405.547 0.487 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608709265 1074490239 /nfs/dbraw/zinc/49/02/39/1074490239.db2.gz NBGBRKAMDHIOTH-SOLBZPMBSA-N 1 0 405.547 0.487 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C(=O)c3cccn3C)CC2)CC1 ZINC000608709268 1074490208 /nfs/dbraw/zinc/49/02/08/1074490208.db2.gz OAYZBGMMYOQQOX-GOSISDBHSA-N 1 0 404.559 0.766 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C(=O)c3cccn3C)CC2)CC1 ZINC000608709269 1074490451 /nfs/dbraw/zinc/49/04/51/1074490451.db2.gz OAYZBGMMYOQQOX-SFHVURJKSA-N 1 0 404.559 0.766 20 0 HCADRO COCC(=O)NC1CCN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000608718869 1074485005 /nfs/dbraw/zinc/48/50/05/1074485005.db2.gz AIIWAAZPNGVFGY-UHFFFAOYSA-N 1 0 409.575 0.873 20 0 HCADRO Cn1ccc(N2CCC[C@@H](NC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2=O)n1 ZINC000608720332 1074485523 /nfs/dbraw/zinc/48/55/23/1074485523.db2.gz FRFUYMJFZWSMRS-DLBZAZTESA-N 1 0 403.531 0.337 20 0 HCADRO Cn1ccc(N2CCC[C@@H](NC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2=O)n1 ZINC000608720333 1074485437 /nfs/dbraw/zinc/48/54/37/1074485437.db2.gz FRFUYMJFZWSMRS-IAGOWNOFSA-N 1 0 403.531 0.337 20 0 HCADRO Cn1ccc(N2CCC[C@H](NC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2=O)n1 ZINC000608720334 1074485420 /nfs/dbraw/zinc/48/54/20/1074485420.db2.gz FRFUYMJFZWSMRS-IRXDYDNUSA-N 1 0 403.531 0.337 20 0 HCADRO Cn1ccc(N2CCC[C@H](NC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2=O)n1 ZINC000608720335 1074485574 /nfs/dbraw/zinc/48/55/74/1074485574.db2.gz FRFUYMJFZWSMRS-SJORKVTESA-N 1 0 403.531 0.337 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2=O)n(C)n1 ZINC000608723929 1074493169 /nfs/dbraw/zinc/49/31/69/1074493169.db2.gz ZXEFXJLOFZNOOX-DLBZAZTESA-N 1 0 403.531 0.255 20 0 HCADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2=O)n(C)n1 ZINC000608723932 1074492979 /nfs/dbraw/zinc/49/29/79/1074492979.db2.gz ZXEFXJLOFZNOOX-IAGOWNOFSA-N 1 0 403.531 0.255 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2=O)n(C)n1 ZINC000608723936 1074493015 /nfs/dbraw/zinc/49/30/15/1074493015.db2.gz ZXEFXJLOFZNOOX-IRXDYDNUSA-N 1 0 403.531 0.255 20 0 HCADRO Cc1cc(N2CC[C@H](NC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2=O)n(C)n1 ZINC000608723938 1074492967 /nfs/dbraw/zinc/49/29/67/1074492967.db2.gz ZXEFXJLOFZNOOX-SJORKVTESA-N 1 0 403.531 0.255 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCc2nnnn2C2CC2)CC1 ZINC000608725649 1074492956 /nfs/dbraw/zinc/49/29/56/1074492956.db2.gz CVIBJBOCYIHEFJ-UHFFFAOYSA-N 1 0 406.535 0.778 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCc2nnnn2C2CC2)CC1 ZINC000608725765 1074493864 /nfs/dbraw/zinc/49/38/64/1074493864.db2.gz JZSPXUGJQUYLPQ-UHFFFAOYSA-N 1 0 406.535 0.634 20 0 HCADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NCc2nnnn2C2CC2)CC1 ZINC000608731370 1074494641 /nfs/dbraw/zinc/49/46/41/1074494641.db2.gz SWSHQLHEEAGTIZ-UHFFFAOYSA-N 1 0 404.519 0.532 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608732953 1074496160 /nfs/dbraw/zinc/49/61/60/1074496160.db2.gz HRQDIFSYNUUNGU-DOTOQJQBSA-N 1 0 419.530 0.110 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608732954 1074496087 /nfs/dbraw/zinc/49/60/87/1074496087.db2.gz HRQDIFSYNUUNGU-NVXWUHKLSA-N 1 0 419.530 0.110 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608732955 1074495899 /nfs/dbraw/zinc/49/58/99/1074495899.db2.gz HRQDIFSYNUUNGU-RDJZCZTQSA-N 1 0 419.530 0.110 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608732956 1074496056 /nfs/dbraw/zinc/49/60/56/1074496056.db2.gz HRQDIFSYNUUNGU-WBVHZDCISA-N 1 0 419.530 0.110 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)CC2)c1 ZINC000608732982 1074496771 /nfs/dbraw/zinc/49/67/71/1074496771.db2.gz DOUCUONLJZPOMS-PBHICJAKSA-N 1 0 413.482 0.849 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)CC2)c1 ZINC000608732985 1074496804 /nfs/dbraw/zinc/49/68/04/1074496804.db2.gz DOUCUONLJZPOMS-RHSMWYFYSA-N 1 0 413.482 0.849 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)CC2)c1 ZINC000608732986 1074496727 /nfs/dbraw/zinc/49/67/27/1074496727.db2.gz DOUCUONLJZPOMS-WMLDXEAASA-N 1 0 413.482 0.849 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)CC2)c1 ZINC000608732987 1074496583 /nfs/dbraw/zinc/49/65/83/1074496583.db2.gz DOUCUONLJZPOMS-YOEHRIQHSA-N 1 0 413.482 0.849 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608733714 1074495498 /nfs/dbraw/zinc/49/54/98/1074495498.db2.gz HOKDBEIIOKOCBJ-CRAIPNDOSA-N 1 0 404.515 0.668 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608733715 1074495771 /nfs/dbraw/zinc/49/57/71/1074495771.db2.gz HOKDBEIIOKOCBJ-MAUKXSAKSA-N 1 0 404.515 0.668 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608733716 1074495936 /nfs/dbraw/zinc/49/59/36/1074495936.db2.gz HOKDBEIIOKOCBJ-QAPCUYQASA-N 1 0 404.515 0.668 20 0 HCADRO C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608733717 1074496196 /nfs/dbraw/zinc/49/61/96/1074496196.db2.gz HOKDBEIIOKOCBJ-YJBOKZPZSA-N 1 0 404.515 0.668 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608733990 1074498098 /nfs/dbraw/zinc/49/80/98/1074498098.db2.gz CDBUSKQRDHRFOE-AOIWGVFYSA-N 1 0 417.558 0.725 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608733993 1074498129 /nfs/dbraw/zinc/49/81/29/1074498129.db2.gz CDBUSKQRDHRFOE-LMMKCTJWSA-N 1 0 417.558 0.725 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608733994 1074498143 /nfs/dbraw/zinc/49/81/43/1074498143.db2.gz CDBUSKQRDHRFOE-ZHALLVOQSA-N 1 0 417.558 0.725 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608733995 1074498047 /nfs/dbraw/zinc/49/80/47/1074498047.db2.gz CDBUSKQRDHRFOE-ZIFCJYIRSA-N 1 0 417.558 0.725 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734275 1074497277 /nfs/dbraw/zinc/49/72/77/1074497277.db2.gz CZSKENZSRZKAQF-JFIYKMOQSA-N 1 0 403.531 0.335 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734276 1074497397 /nfs/dbraw/zinc/49/73/97/1074497397.db2.gz CZSKENZSRZKAQF-NUJGCVRESA-N 1 0 403.531 0.335 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734277 1074497548 /nfs/dbraw/zinc/49/75/48/1074497548.db2.gz CZSKENZSRZKAQF-RYRKJORJSA-N 1 0 403.531 0.335 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734278 1074497352 /nfs/dbraw/zinc/49/73/52/1074497352.db2.gz CZSKENZSRZKAQF-SOLBZPMBSA-N 1 0 403.531 0.335 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734486 1074496651 /nfs/dbraw/zinc/49/66/51/1074496651.db2.gz PSIBTIJRNKEXID-CRAIPNDOSA-N 1 0 404.515 0.668 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734487 1074496825 /nfs/dbraw/zinc/49/68/25/1074496825.db2.gz PSIBTIJRNKEXID-MAUKXSAKSA-N 1 0 404.515 0.668 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734488 1074496622 /nfs/dbraw/zinc/49/66/22/1074496622.db2.gz PSIBTIJRNKEXID-QAPCUYQASA-N 1 0 404.515 0.668 20 0 HCADRO C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734490 1074496693 /nfs/dbraw/zinc/49/66/93/1074496693.db2.gz PSIBTIJRNKEXID-YJBOKZPZSA-N 1 0 404.515 0.668 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736791 1074499597 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COC(=O)c1cc(NC(=O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc(C(=O)OC)c1 ZINC000609157776 1077291356 /nfs/dbraw/zinc/29/13/56/1077291356.db2.gz WPWRRUKLYDPNIC-QZTJIDSGSA-N 1 0 419.478 0.729 20 0 HCADRO COC(=O)c1cc(NC(=O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc(C(=O)OC)c1 ZINC000609157777 1077291510 /nfs/dbraw/zinc/29/15/10/1077291510.db2.gz WPWRRUKLYDPNIC-ROUUACIJSA-N 1 0 419.478 0.729 20 0 HCADRO COC(=O)c1cc(NC(=O)CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc(C(=O)OC)c1 ZINC000609157778 1077291466 /nfs/dbraw/zinc/29/14/66/1077291466.db2.gz WPWRRUKLYDPNIC-ZWKOTPCHSA-N 1 0 419.478 0.729 20 0 HCADRO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000609159689 1077307399 /nfs/dbraw/zinc/30/73/99/1077307399.db2.gz YIXXJXLLKQZJQK-AWEZNQCLSA-N 1 0 413.496 0.468 20 0 HCADRO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000609159691 1077307479 /nfs/dbraw/zinc/30/74/79/1077307479.db2.gz YIXXJXLLKQZJQK-CQSZACIVSA-N 1 0 413.496 0.468 20 0 HCADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1 ZINC000609163575 1077383914 /nfs/dbraw/zinc/38/39/14/1077383914.db2.gz JPBXRCKRJATMIE-UHFFFAOYSA-N 1 0 408.524 0.509 20 0 HCADRO CCOC(=O)C1CCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000609196459 1077518059 /nfs/dbraw/zinc/51/80/59/1077518059.db2.gz JYIUKAORIRRREL-INIZCTEOSA-N 1 0 418.560 0.039 20 0 HCADRO CCOC(=O)C1CCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000609196464 1077518247 /nfs/dbraw/zinc/51/82/47/1077518247.db2.gz JYIUKAORIRRREL-MRXNPFEDSA-N 1 0 418.560 0.039 20 0 HCADRO CCOC(=O)C1CCN(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000609199001 1077525933 /nfs/dbraw/zinc/52/59/33/1077525933.db2.gz IZGLLLWFLCOUOR-UHFFFAOYSA-N 1 0 403.545 0.741 20 0 HCADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000609199040 1077526044 /nfs/dbraw/zinc/52/60/44/1077526044.db2.gz PKYHZMSOJASOES-INIZCTEOSA-N 1 0 403.545 0.741 20 0 HCADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000609199041 1077525894 /nfs/dbraw/zinc/52/58/94/1077525894.db2.gz PKYHZMSOJASOES-MRXNPFEDSA-N 1 0 403.545 0.741 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000609200387 1077528127 /nfs/dbraw/zinc/52/81/27/1077528127.db2.gz ZMFIQTBUPMRHKG-INIZCTEOSA-N 1 0 409.508 0.648 20 0 HCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000609200389 1077528197 /nfs/dbraw/zinc/52/81/97/1077528197.db2.gz ZMFIQTBUPMRHKG-MRXNPFEDSA-N 1 0 409.508 0.648 20 0 HCADRO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000609201898 1077537640 /nfs/dbraw/zinc/53/76/40/1077537640.db2.gz CDKLDSGKLQOOTP-GFCCVEGCSA-N 1 0 401.510 0.319 20 0 HCADRO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000609201899 1077537741 /nfs/dbraw/zinc/53/77/41/1077537741.db2.gz CDKLDSGKLQOOTP-LBPRGKRZSA-N 1 0 401.510 0.319 20 0 HCADRO CC1(C)CN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000609204491 1077539853 /nfs/dbraw/zinc/53/98/53/1077539853.db2.gz REVSVMWBLZBWPZ-KRWDZBQOSA-N 1 0 422.551 0.596 20 0 HCADRO CC1(C)CN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000609204493 1077539919 /nfs/dbraw/zinc/53/99/19/1077539919.db2.gz REVSVMWBLZBWPZ-QGZVFWFLSA-N 1 0 422.551 0.596 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000609204716 1077539759 /nfs/dbraw/zinc/53/97/59/1077539759.db2.gz MLKAEJCOLIYFDN-HNNXBMFYSA-N 1 0 419.482 0.298 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000609204718 1077539511 /nfs/dbraw/zinc/53/95/11/1077539511.db2.gz MLKAEJCOLIYFDN-OAHLLOKOSA-N 1 0 419.482 0.298 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)NCCCC[NH+]2CCN(C)CC2)cc1 ZINC000609214511 1077701823 /nfs/dbraw/zinc/70/18/23/1077701823.db2.gz CGXBHBDKDFZBEI-UHFFFAOYSA-N 1 0 405.499 0.739 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000609214512 1077701855 /nfs/dbraw/zinc/70/18/55/1077701855.db2.gz CNKJLVDOPOWQPB-DLBZAZTESA-N 1 0 404.467 0.652 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000609214513 1077701739 /nfs/dbraw/zinc/70/17/39/1077701739.db2.gz CNKJLVDOPOWQPB-IAGOWNOFSA-N 1 0 404.467 0.652 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000609214514 1077701721 /nfs/dbraw/zinc/70/17/21/1077701721.db2.gz CNKJLVDOPOWQPB-IRXDYDNUSA-N 1 0 404.467 0.652 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000609214515 1077701878 /nfs/dbraw/zinc/70/18/78/1077701878.db2.gz CNKJLVDOPOWQPB-SJORKVTESA-N 1 0 404.467 0.652 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000609214581 1077702583 /nfs/dbraw/zinc/70/25/83/1077702583.db2.gz KPULWXGLQHYTCZ-UHFFFAOYSA-N 1 0 406.483 0.439 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000609214659 1077682398 /nfs/dbraw/zinc/68/23/98/1077682398.db2.gz XCLIRRXFTHMWOH-MSOLQXFVSA-N 1 0 418.494 0.581 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000609214660 1077682589 /nfs/dbraw/zinc/68/25/89/1077682589.db2.gz XCLIRRXFTHMWOH-QZTJIDSGSA-N 1 0 418.494 0.581 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000609214661 1077682412 /nfs/dbraw/zinc/68/24/12/1077682412.db2.gz XCLIRRXFTHMWOH-ROUUACIJSA-N 1 0 418.494 0.581 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000609214662 1077682482 /nfs/dbraw/zinc/68/24/82/1077682482.db2.gz XCLIRRXFTHMWOH-ZWKOTPCHSA-N 1 0 418.494 0.581 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000609223259 1077946917 /nfs/dbraw/zinc/94/69/17/1077946917.db2.gz VVNZVJAMYMOKKO-CYBMUJFWSA-N 1 0 408.528 0.775 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000609223277 1077947155 /nfs/dbraw/zinc/94/71/55/1077947155.db2.gz VVNZVJAMYMOKKO-ZDUSSCGKSA-N 1 0 408.528 0.775 20 0 HCADRO COC(=O)CCc1ccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000609225811 1077973028 /nfs/dbraw/zinc/97/30/28/1077973028.db2.gz GENACVQLTYBUHB-UHFFFAOYSA-N 1 0 404.511 0.873 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(CCC(=O)OC)cc2)CC1 ZINC000609225957 1077970080 /nfs/dbraw/zinc/97/00/80/1077970080.db2.gz UUAIQXFDQOTOCC-INIZCTEOSA-N 1 0 404.511 0.873 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(CCC(=O)OC)cc2)CC1 ZINC000609225958 1077969893 /nfs/dbraw/zinc/96/98/93/1077969893.db2.gz UUAIQXFDQOTOCC-MRXNPFEDSA-N 1 0 404.511 0.873 20 0 HCADRO COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000609226957 1077992067 /nfs/dbraw/zinc/99/20/67/1077992067.db2.gz FWISTWIBFMKOEQ-UHFFFAOYSA-N 1 0 416.522 0.971 20 0 HCADRO CCOC(=O)c1ccc(N2CCN(C[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc1 ZINC000609284358 1078568558 /nfs/dbraw/zinc/56/85/58/1078568558.db2.gz QMPNNOPTWOJVJG-LMMKCTJWSA-N 1 0 406.527 0.850 20 0 HCADRO CCOC(=O)c1ccc(N2CCN(C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000609284359 1078568343 /nfs/dbraw/zinc/56/83/43/1078568343.db2.gz QMPNNOPTWOJVJG-LNLFQRSKSA-N 1 0 406.527 0.850 20 0 HCADRO CCOC(=O)c1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000609284360 1078568516 /nfs/dbraw/zinc/56/85/16/1078568516.db2.gz QMPNNOPTWOJVJG-SCTDSRPQSA-N 1 0 406.527 0.850 20 0 HCADRO CCOC(=O)c1ccc(N2CCN(C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000609284361 1078568300 /nfs/dbraw/zinc/56/83/00/1078568300.db2.gz QMPNNOPTWOJVJG-ZIFCJYIRSA-N 1 0 406.527 0.850 20 0 HCADRO CSC[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000609285308 1078574021 /nfs/dbraw/zinc/57/40/21/1078574021.db2.gz HEUKOVXIRPXZDD-AVEIZBFRSA-N 1 0 423.579 0.951 20 0 HCADRO CSC[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000609285313 1078596238 /nfs/dbraw/zinc/59/62/38/1078596238.db2.gz HEUKOVXIRPXZDD-CWQOZTLDSA-N 1 0 423.579 0.951 20 0 HCADRO CSC[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000609285314 1078596327 /nfs/dbraw/zinc/59/63/27/1078596327.db2.gz HEUKOVXIRPXZDD-ILOCAZANSA-N 1 0 423.579 0.951 20 0 HCADRO CSC[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000609285316 1078596617 /nfs/dbraw/zinc/59/66/17/1078596617.db2.gz HEUKOVXIRPXZDD-ZKXLYKBJSA-N 1 0 423.579 0.951 20 0 HCADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CSCC(=O)N2CCOCC2)cc1 ZINC000609286878 1078612832 /nfs/dbraw/zinc/61/28/32/1078612832.db2.gz GNCIUAAVJLCHGJ-UHFFFAOYSA-N 1 0 422.551 0.186 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000609288662 1078658604 /nfs/dbraw/zinc/65/86/04/1078658604.db2.gz BGIGEPOGBNPQSZ-KRWDZBQOSA-N 1 0 420.558 0.663 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000609288664 1078658523 /nfs/dbraw/zinc/65/85/23/1078658523.db2.gz BGIGEPOGBNPQSZ-QGZVFWFLSA-N 1 0 420.558 0.663 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C2)CC1 ZINC000609288909 1078654362 /nfs/dbraw/zinc/65/43/62/1078654362.db2.gz HOCNSYGEZRZHHD-GOSISDBHSA-N 1 0 414.510 0.982 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C2)CC1 ZINC000609288910 1078654345 /nfs/dbraw/zinc/65/43/45/1078654345.db2.gz HOCNSYGEZRZHHD-SFHVURJKSA-N 1 0 414.510 0.982 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccccc3CN3C(=O)CNC3=O)C2)CC1 ZINC000609289009 1078665296 /nfs/dbraw/zinc/66/52/96/1078665296.db2.gz JWSWBAXXIYDUEW-QGZVFWFLSA-N 1 0 414.510 0.982 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc(N4C(=O)CNC4=O)c3)C2)CC1 ZINC000609289252 1078644381 /nfs/dbraw/zinc/64/43/81/1078644381.db2.gz MRZGGAOLJRWHEU-KRWDZBQOSA-N 1 0 400.483 0.987 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc(N4C(=O)CNC4=O)c3)C2)CC1 ZINC000609289256 1078644314 /nfs/dbraw/zinc/64/43/14/1078644314.db2.gz MRZGGAOLJRWHEU-QGZVFWFLSA-N 1 0 400.483 0.987 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000609289301 1078660338 /nfs/dbraw/zinc/66/03/38/1078660338.db2.gz ZQSVKKFRFDTYOH-DOTOQJQBSA-N 1 0 409.556 0.816 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000609289307 1078660215 /nfs/dbraw/zinc/66/02/15/1078660215.db2.gz ZQSVKKFRFDTYOH-NVXWUHKLSA-N 1 0 409.556 0.816 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000609289308 1078660290 /nfs/dbraw/zinc/66/02/90/1078660290.db2.gz ZQSVKKFRFDTYOH-RDJZCZTQSA-N 1 0 409.556 0.816 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000609289309 1078660113 /nfs/dbraw/zinc/66/01/13/1078660113.db2.gz ZQSVKKFRFDTYOH-WBVHZDCISA-N 1 0 409.556 0.816 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C2)CC1 ZINC000609289428 1078675508 /nfs/dbraw/zinc/67/55/08/1078675508.db2.gz QTOZTMNUSJLVSF-GOSISDBHSA-N 1 0 414.510 0.982 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C2)CC1 ZINC000609289429 1078675364 /nfs/dbraw/zinc/67/53/64/1078675364.db2.gz QTOZTMNUSJLVSF-SFHVURJKSA-N 1 0 414.510 0.982 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000609290053 1078665276 /nfs/dbraw/zinc/66/52/76/1078665276.db2.gz IPNGWAMXROJZOV-DOTOQJQBSA-N 1 0 409.556 0.816 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000609290054 1078665304 /nfs/dbraw/zinc/66/53/04/1078665304.db2.gz IPNGWAMXROJZOV-NVXWUHKLSA-N 1 0 409.556 0.816 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000609290055 1078665417 /nfs/dbraw/zinc/66/54/17/1078665417.db2.gz IPNGWAMXROJZOV-RDJZCZTQSA-N 1 0 409.556 0.816 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000609290056 1078665380 /nfs/dbraw/zinc/66/53/80/1078665380.db2.gz IPNGWAMXROJZOV-WBVHZDCISA-N 1 0 409.556 0.816 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccnc(N4CCOCC4)c3)C2)CC1 ZINC000609290121 1078671869 /nfs/dbraw/zinc/67/18/69/1078671869.db2.gz BJPLCVAMTUUZNY-IBGZPJMESA-N 1 0 402.543 0.840 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccnc(N4CCOCC4)c3)C2)CC1 ZINC000609290122 1078671923 /nfs/dbraw/zinc/67/19/23/1078671923.db2.gz BJPLCVAMTUUZNY-LJQANCHMSA-N 1 0 402.543 0.840 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000609290128 1078660772 /nfs/dbraw/zinc/66/07/72/1078660772.db2.gz BMLZMUOMFSMJAQ-GOSISDBHSA-N 1 0 415.604 0.612 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000609290129 1078660924 /nfs/dbraw/zinc/66/09/24/1078660924.db2.gz BMLZMUOMFSMJAQ-SFHVURJKSA-N 1 0 415.604 0.612 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCC3(NS(C)(=O)=O)CCCCC3)C2)CC1 ZINC000609290152 1078661246 /nfs/dbraw/zinc/66/12/46/1078661246.db2.gz DJQMFJCPFTZKOI-KRWDZBQOSA-N 1 0 415.604 0.660 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC3(NS(C)(=O)=O)CCCCC3)C2)CC1 ZINC000609290153 1078661365 /nfs/dbraw/zinc/66/13/65/1078661365.db2.gz DJQMFJCPFTZKOI-QGZVFWFLSA-N 1 0 415.604 0.660 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3cccnc3N3CCOCC3)C2)CC1 ZINC000609290303 1078676716 /nfs/dbraw/zinc/67/67/16/1078676716.db2.gz HVLYJGMNOLINPA-IBGZPJMESA-N 1 0 402.543 0.840 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cccnc3N3CCOCC3)C2)CC1 ZINC000609290304 1078676742 /nfs/dbraw/zinc/67/67/42/1078676742.db2.gz HVLYJGMNOLINPA-LJQANCHMSA-N 1 0 402.543 0.840 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000609290350 1078677146 /nfs/dbraw/zinc/67/71/46/1078677146.db2.gz KITSTAZWYZDGMZ-KRWDZBQOSA-N 1 0 409.556 0.386 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000609290351 1078677227 /nfs/dbraw/zinc/67/72/27/1078677227.db2.gz KITSTAZWYZDGMZ-QGZVFWFLSA-N 1 0 409.556 0.386 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)C2)CC1 ZINC000609290451 1078697155 /nfs/dbraw/zinc/69/71/55/1078697155.db2.gz SKQXDHIDNOXEHP-GOSISDBHSA-N 1 0 423.583 0.858 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)C2)CC1 ZINC000609290452 1078697242 /nfs/dbraw/zinc/69/72/42/1078697242.db2.gz SKQXDHIDNOXEHP-SFHVURJKSA-N 1 0 423.583 0.858 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)CC1 ZINC000609290627 1078694514 /nfs/dbraw/zinc/69/45/14/1078694514.db2.gz SGNDKDGNKUNMIA-GOSISDBHSA-N 1 0 423.583 0.695 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)CC1 ZINC000609290628 1078694461 /nfs/dbraw/zinc/69/44/61/1078694461.db2.gz SGNDKDGNKUNMIA-SFHVURJKSA-N 1 0 423.583 0.695 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccc(CS(=O)(=O)NC)cc3)C2)CC1 ZINC000609290669 1078695268 /nfs/dbraw/zinc/69/52/68/1078695268.db2.gz ZZUPGOBDWZNQOU-IBGZPJMESA-N 1 0 423.583 0.657 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccc(CS(=O)(=O)NC)cc3)C2)CC1 ZINC000609290670 1078695299 /nfs/dbraw/zinc/69/52/99/1078695299.db2.gz ZZUPGOBDWZNQOU-LJQANCHMSA-N 1 0 423.583 0.657 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cccc(OCC(=O)NC)c3)C2)CC1 ZINC000609290840 1078690907 /nfs/dbraw/zinc/69/09/07/1078690907.db2.gz DJTWSGYJSHUZFV-GOSISDBHSA-N 1 0 403.527 0.733 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3cccc(OCC(=O)NC)c3)C2)CC1 ZINC000609290841 1078691158 /nfs/dbraw/zinc/69/11/58/1078691158.db2.gz DJTWSGYJSHUZFV-SFHVURJKSA-N 1 0 403.527 0.733 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000609291139 1078669532 /nfs/dbraw/zinc/66/95/32/1078669532.db2.gz LWZBFCSJXZLSCU-IBGZPJMESA-N 1 0 408.591 0.398 20 0 HCADRO CCCNC(=O)CN1CCC(NC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000609291140 1078669600 /nfs/dbraw/zinc/66/96/00/1078669600.db2.gz LWZBFCSJXZLSCU-LJQANCHMSA-N 1 0 408.591 0.398 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3cccc(S(=O)(=O)NC)c3)C2)CC1 ZINC000609291335 1078756226 /nfs/dbraw/zinc/75/62/26/1078756226.db2.gz RWXZKZPMJDYCOI-KRWDZBQOSA-N 1 0 409.556 0.516 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cccc(S(=O)(=O)NC)c3)C2)CC1 ZINC000609291336 1078756383 /nfs/dbraw/zinc/75/63/83/1078756383.db2.gz RWXZKZPMJDYCOI-QGZVFWFLSA-N 1 0 409.556 0.516 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)C2)CC1 ZINC000609292044 1078720112 /nfs/dbraw/zinc/72/01/12/1078720112.db2.gz JSGMUVIAIXFPHO-AZUAARDMSA-N 1 0 411.616 0.616 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)C2)CC1 ZINC000609292047 1078720029 /nfs/dbraw/zinc/72/00/29/1078720029.db2.gz JSGMUVIAIXFPHO-ICSRJNTNSA-N 1 0 411.616 0.616 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)C2)CC1 ZINC000609292049 1078720127 /nfs/dbraw/zinc/72/01/27/1078720127.db2.gz JSGMUVIAIXFPHO-QUCCMNQESA-N 1 0 411.616 0.616 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)C2)CC1 ZINC000609292050 1078720466 /nfs/dbraw/zinc/72/04/66/1078720466.db2.gz JSGMUVIAIXFPHO-UYAOXDASSA-N 1 0 411.616 0.616 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCNC(=O)Cc3cccc(F)c3)C2)CC1 ZINC000609292248 1078719450 /nfs/dbraw/zinc/71/94/50/1078719450.db2.gz JFNCJNUKBSGJFW-IBGZPJMESA-N 1 0 405.518 0.906 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCNC(=O)Cc3cccc(F)c3)C2)CC1 ZINC000609292249 1078719390 /nfs/dbraw/zinc/71/93/90/1078719390.db2.gz JFNCJNUKBSGJFW-LJQANCHMSA-N 1 0 405.518 0.906 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCC(=O)N(C)CCc3ccccn3)C2)CC1 ZINC000609292973 1078768733 /nfs/dbraw/zinc/76/87/33/1078768733.db2.gz FOQBDMCTELFDQW-IBGZPJMESA-N 1 0 402.543 0.504 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC(=O)N(C)CCc3ccccn3)C2)CC1 ZINC000609292974 1078768707 /nfs/dbraw/zinc/76/87/07/1078768707.db2.gz FOQBDMCTELFDQW-LJQANCHMSA-N 1 0 402.543 0.504 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccc(OCC(N)=O)c(OC)c3)C2)CC1 ZINC000609293100 1078754594 /nfs/dbraw/zinc/75/45/94/1078754594.db2.gz WNRRBPWSRQISNM-KRWDZBQOSA-N 1 0 419.526 0.481 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccc(OCC(N)=O)c(OC)c3)C2)CC1 ZINC000609293108 1078754765 /nfs/dbraw/zinc/75/47/65/1078754765.db2.gz WNRRBPWSRQISNM-QGZVFWFLSA-N 1 0 419.526 0.481 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000609293273 1078764015 /nfs/dbraw/zinc/76/40/15/1078764015.db2.gz ZKZOMNPHJJHDTE-KRWDZBQOSA-N 1 0 405.547 0.193 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000609293281 1078754123 /nfs/dbraw/zinc/75/41/23/1078754123.db2.gz ZKZOMNPHJJHDTE-QGZVFWFLSA-N 1 0 405.547 0.193 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCOc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000609293666 1078791459 /nfs/dbraw/zinc/79/14/59/1078791459.db2.gz UKDRXJFWKBIKRV-KRWDZBQOSA-N 1 0 424.567 0.890 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCOc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000609293667 1078791680 /nfs/dbraw/zinc/79/16/80/1078791680.db2.gz UKDRXJFWKBIKRV-QGZVFWFLSA-N 1 0 424.567 0.890 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000609296226 1078837192 /nfs/dbraw/zinc/83/71/92/1078837192.db2.gz IJDTZEMDVIYMSQ-HNNXBMFYSA-N 1 0 405.499 0.276 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000609296229 1078837036 /nfs/dbraw/zinc/83/70/36/1078837036.db2.gz IJDTZEMDVIYMSQ-OAHLLOKOSA-N 1 0 405.499 0.276 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(CCNS(C)(=O)=O)cc3)C2)CC1 ZINC000609309544 1079114461 /nfs/dbraw/zinc/11/44/61/1079114461.db2.gz GKELIODGOIBAFF-IBGZPJMESA-N 1 0 408.568 0.630 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(CCNS(C)(=O)=O)cc3)C2)CC1 ZINC000609309545 1079111506 /nfs/dbraw/zinc/11/15/06/1079111506.db2.gz GKELIODGOIBAFF-LJQANCHMSA-N 1 0 408.568 0.630 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)C2)CC1 ZINC000609309546 1079111541 /nfs/dbraw/zinc/11/15/41/1079111541.db2.gz GQFPOUNGVRVNLU-KRWDZBQOSA-N 1 0 405.543 0.822 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)C2)CC1 ZINC000609309549 1079111576 /nfs/dbraw/zinc/11/15/76/1079111576.db2.gz GQFPOUNGVRVNLU-QGZVFWFLSA-N 1 0 405.543 0.822 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)NCCOC)c3)C2)CC1 ZINC000609310421 1079117746 /nfs/dbraw/zinc/11/77/46/1079117746.db2.gz OUBJLVZCIWPRGW-GOSISDBHSA-N 1 0 424.567 0.463 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(S(=O)(=O)NCCOC)c3)C2)CC1 ZINC000609310422 1079117717 /nfs/dbraw/zinc/11/77/17/1079117717.db2.gz OUBJLVZCIWPRGW-SFHVURJKSA-N 1 0 424.567 0.463 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)C2)CC1 ZINC000609310768 1079116714 /nfs/dbraw/zinc/11/67/14/1079116714.db2.gz MLBDOFMLFJHTGF-GOEBONIOSA-N 1 0 413.544 0.197 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)C2)CC1 ZINC000609310771 1079116702 /nfs/dbraw/zinc/11/67/02/1079116702.db2.gz MLBDOFMLFJHTGF-HOCLYGCPSA-N 1 0 413.544 0.197 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)C2)CC1 ZINC000609310808 1079116659 /nfs/dbraw/zinc/11/66/59/1079116659.db2.gz OCLOTSHDMNXPNX-CBGDNZLLSA-N 1 0 405.543 0.726 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)C2)CC1 ZINC000609310809 1079116706 /nfs/dbraw/zinc/11/67/06/1079116706.db2.gz OCLOTSHDMNXPNX-CSODHUTKSA-N 1 0 405.543 0.726 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)C2)CC1 ZINC000609310810 1079116697 /nfs/dbraw/zinc/11/66/97/1079116697.db2.gz OCLOTSHDMNXPNX-FVJLSDCUSA-N 1 0 405.543 0.726 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)C2)CC1 ZINC000609310811 1079116667 /nfs/dbraw/zinc/11/66/67/1079116667.db2.gz OCLOTSHDMNXPNX-LZJOCLMNSA-N 1 0 405.543 0.726 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000609310965 1079119656 /nfs/dbraw/zinc/11/96/56/1079119656.db2.gz YNAUVYPAPBCOPZ-KRWDZBQOSA-N 1 0 413.522 0.990 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000609310969 1079119575 /nfs/dbraw/zinc/11/95/75/1079119575.db2.gz YNAUVYPAPBCOPZ-QGZVFWFLSA-N 1 0 413.522 0.990 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](Cc3cccc(OC)c3)NC(C)=O)C2)CC1 ZINC000609311171 1079118102 /nfs/dbraw/zinc/11/81/02/1079118102.db2.gz LXXHKHZPISNWMW-CTNGQTDRSA-N 1 0 402.539 0.981 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](Cc3cccc(OC)c3)NC(C)=O)C2)CC1 ZINC000609311172 1079118132 /nfs/dbraw/zinc/11/81/32/1079118132.db2.gz LXXHKHZPISNWMW-FPOVZHCZSA-N 1 0 402.539 0.981 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](Cc3cccc(OC)c3)NC(C)=O)C2)CC1 ZINC000609311173 1079118176 /nfs/dbraw/zinc/11/81/76/1079118176.db2.gz LXXHKHZPISNWMW-PZJWPPBQSA-N 1 0 402.539 0.981 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](Cc3cccc(OC)c3)NC(C)=O)C2)CC1 ZINC000609311174 1079118168 /nfs/dbraw/zinc/11/81/68/1079118168.db2.gz LXXHKHZPISNWMW-TZIWHRDSSA-N 1 0 402.539 0.981 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)CC1 ZINC000609311213 1079118503 /nfs/dbraw/zinc/11/85/03/1079118503.db2.gz TZMZLXLYZYYZJA-FXAWDEMLSA-N 1 0 412.538 0.986 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)CC1 ZINC000609311214 1079118541 /nfs/dbraw/zinc/11/85/41/1079118541.db2.gz TZMZLXLYZYYZJA-PXNSSMCTSA-N 1 0 412.538 0.986 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)CC1 ZINC000609311215 1079118607 /nfs/dbraw/zinc/11/86/07/1079118607.db2.gz TZMZLXLYZYYZJA-XLIONFOSSA-N 1 0 412.538 0.986 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)CC1 ZINC000609311216 1079118656 /nfs/dbraw/zinc/11/86/56/1079118656.db2.gz TZMZLXLYZYYZJA-YLJYHZDGSA-N 1 0 412.538 0.986 20 0 HCADRO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cc2)[n-]1 ZINC000609311500 1079126434 /nfs/dbraw/zinc/12/64/34/1079126434.db2.gz LYDCGDYTSLZAHD-HNNXBMFYSA-N 1 0 415.494 0.247 20 0 HCADRO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)cc2)[n-]1 ZINC000609311501 1079126385 /nfs/dbraw/zinc/12/63/85/1079126385.db2.gz LYDCGDYTSLZAHD-OAHLLOKOSA-N 1 0 415.494 0.247 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CCNS(=O)(=O)c3cccs3)C2)CC1 ZINC000609311773 1079124889 /nfs/dbraw/zinc/12/48/89/1079124889.db2.gz SPYKOGBDKJQNPW-HNNXBMFYSA-N 1 0 400.570 0.655 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CCNS(=O)(=O)c3cccs3)C2)CC1 ZINC000609311779 1079124900 /nfs/dbraw/zinc/12/49/00/1079124900.db2.gz SPYKOGBDKJQNPW-OAHLLOKOSA-N 1 0 400.570 0.655 20 0 HCADRO CSC[C@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000609311858 1079125317 /nfs/dbraw/zinc/12/53/17/1079125317.db2.gz ZERSRYOHWVXHAT-LTIDMASMSA-N 1 0 410.584 0.645 20 0 HCADRO CSC[C@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000609311859 1079125239 /nfs/dbraw/zinc/12/52/39/1079125239.db2.gz ZERSRYOHWVXHAT-MWDXBVQZSA-N 1 0 410.584 0.645 20 0 HCADRO CSC[C@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000609311860 1079125305 /nfs/dbraw/zinc/12/53/05/1079125305.db2.gz ZERSRYOHWVXHAT-QBPKDAKJSA-N 1 0 410.584 0.645 20 0 HCADRO CSC[C@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000609311861 1079125226 /nfs/dbraw/zinc/12/52/26/1079125226.db2.gz ZERSRYOHWVXHAT-WCXIOVBPSA-N 1 0 410.584 0.645 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC000609315533 1079168655 /nfs/dbraw/zinc/16/86/55/1079168655.db2.gz HVFWXIPEANSGKO-HNNXBMFYSA-N 1 0 401.554 0.491 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC000609315534 1079168602 /nfs/dbraw/zinc/16/86/02/1079168602.db2.gz HVFWXIPEANSGKO-OAHLLOKOSA-N 1 0 401.554 0.491 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)C2)CC1 ZINC000609315536 1079169269 /nfs/dbraw/zinc/16/92/69/1079169269.db2.gz HZCYQSQKPXUHAX-INIZCTEOSA-N 1 0 415.581 0.799 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)C2)CC1 ZINC000609315537 1079169131 /nfs/dbraw/zinc/16/91/31/1079169131.db2.gz HZCYQSQKPXUHAX-MRXNPFEDSA-N 1 0 415.581 0.799 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(S(=O)(=O)CC)cc3)C2)CC1 ZINC000609315643 1079167046 /nfs/dbraw/zinc/16/70/46/1079167046.db2.gz VCWDHBLXHMCZHL-INIZCTEOSA-N 1 0 415.581 0.881 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(S(=O)(=O)CC)cc3)C2)CC1 ZINC000609315644 1079167107 /nfs/dbraw/zinc/16/71/07/1079167107.db2.gz VCWDHBLXHMCZHL-MRXNPFEDSA-N 1 0 415.581 0.881 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3S(C)(=O)=O)C2)CC1 ZINC000609315646 1079166784 /nfs/dbraw/zinc/16/67/84/1079166784.db2.gz VSEHVLZELJQJQO-HNNXBMFYSA-N 1 0 401.554 0.491 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3S(C)(=O)=O)C2)CC1 ZINC000609315647 1079167443 /nfs/dbraw/zinc/16/74/43/1079167443.db2.gz VSEHVLZELJQJQO-OAHLLOKOSA-N 1 0 401.554 0.491 20 0 HCADRO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000609315655 1079167512 /nfs/dbraw/zinc/16/75/12/1079167512.db2.gz XDEYLGALXLXMIZ-CYBMUJFWSA-N 1 0 413.496 0.174 20 0 HCADRO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000609315656 1079167486 /nfs/dbraw/zinc/16/74/86/1079167486.db2.gz XDEYLGALXLXMIZ-ZDUSSCGKSA-N 1 0 413.496 0.174 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000609315659 1079167413 /nfs/dbraw/zinc/16/74/13/1079167413.db2.gz XMIWKFIMFPXBOF-HNNXBMFYSA-N 1 0 401.554 0.491 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000609315660 1079167587 /nfs/dbraw/zinc/16/75/87/1079167587.db2.gz XMIWKFIMFPXBOF-OAHLLOKOSA-N 1 0 401.554 0.491 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(C(=O)NCC(=O)OC)cc3)C2)CC1 ZINC000609317478 1079201159 /nfs/dbraw/zinc/20/11/59/1079201159.db2.gz HBAKHDCGUOUSDA-GOSISDBHSA-N 1 0 417.510 0.833 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(C(=O)NCC(=O)OC)cc3)C2)CC1 ZINC000609317479 1079201265 /nfs/dbraw/zinc/20/12/65/1079201265.db2.gz HBAKHDCGUOUSDA-SFHVURJKSA-N 1 0 417.510 0.833 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)CC1 ZINC000609319774 1079207071 /nfs/dbraw/zinc/20/70/71/1079207071.db2.gz KETYKJXPUPLTEH-INIZCTEOSA-N 1 0 409.556 0.651 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)CC1 ZINC000609319775 1079207236 /nfs/dbraw/zinc/20/72/36/1079207236.db2.gz KETYKJXPUPLTEH-MRXNPFEDSA-N 1 0 409.556 0.651 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)C2)CC1 ZINC000609319793 1079207444 /nfs/dbraw/zinc/20/74/44/1079207444.db2.gz LTOQGISMYSPAMR-GOSISDBHSA-N 1 0 406.552 0.979 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)C2)CC1 ZINC000609319794 1079207518 /nfs/dbraw/zinc/20/75/18/1079207518.db2.gz LTOQGISMYSPAMR-SFHVURJKSA-N 1 0 406.552 0.979 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)C2)CC1 ZINC000609319877 1079205787 /nfs/dbraw/zinc/20/57/87/1079205787.db2.gz RLYUMYZOWATJQT-GOSISDBHSA-N 1 0 406.552 0.996 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)C2)CC1 ZINC000609319879 1079205758 /nfs/dbraw/zinc/20/57/58/1079205758.db2.gz RLYUMYZOWATJQT-SFHVURJKSA-N 1 0 406.552 0.996 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)CC1 ZINC000609320262 1079206260 /nfs/dbraw/zinc/20/62/60/1079206260.db2.gz VBXQUYHIWPPURG-HNNXBMFYSA-N 1 0 407.540 0.278 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)CC1 ZINC000609320264 1079206193 /nfs/dbraw/zinc/20/61/93/1079206193.db2.gz VBXQUYHIWPPURG-OAHLLOKOSA-N 1 0 407.540 0.278 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(CCNC(C)=O)cc3)C2)CC1 ZINC000609320303 1079206122 /nfs/dbraw/zinc/20/61/22/1079206122.db2.gz VYCMZKCIPVBDFK-IBGZPJMESA-N 1 0 408.568 0.766 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(CCNC(C)=O)cc3)C2)CC1 ZINC000609320305 1079206208 /nfs/dbraw/zinc/20/62/08/1079206208.db2.gz VYCMZKCIPVBDFK-LJQANCHMSA-N 1 0 408.568 0.766 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(OCC(=O)OC)cc3)C2)CC1 ZINC000609320348 1079208672 /nfs/dbraw/zinc/20/86/72/1079208672.db2.gz YVMVJRPIXPLIHQ-INIZCTEOSA-N 1 0 411.524 0.639 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(OCC(=O)OC)cc3)C2)CC1 ZINC000609320349 1079211574 /nfs/dbraw/zinc/21/15/74/1079211574.db2.gz YVMVJRPIXPLIHQ-MRXNPFEDSA-N 1 0 411.524 0.639 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000609320358 1079211554 /nfs/dbraw/zinc/21/15/54/1079211554.db2.gz FMEKSLMNVAZCHE-INIZCTEOSA-N 1 0 416.478 0.661 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000609320359 1079211632 /nfs/dbraw/zinc/21/16/32/1079211632.db2.gz FMEKSLMNVAZCHE-MRXNPFEDSA-N 1 0 416.478 0.661 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC4=O)cc3)C2)CC1 ZINC000609320998 1079210072 /nfs/dbraw/zinc/21/00/72/1079210072.db2.gz BHXDVFDSRQUMQP-GOSISDBHSA-N 1 0 414.510 0.393 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC4=O)cc3)C2)CC1 ZINC000609321001 1079210137 /nfs/dbraw/zinc/21/01/37/1079210137.db2.gz BHXDVFDSRQUMQP-SFHVURJKSA-N 1 0 414.510 0.393 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(N(C)C(C)=O)cc3)C2)CC1 ZINC000609321050 1079210497 /nfs/dbraw/zinc/21/04/97/1079210497.db2.gz DPWKULNSLQOWPE-IBGZPJMESA-N 1 0 401.511 0.846 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(N(C)C(C)=O)cc3)C2)CC1 ZINC000609321051 1079210423 /nfs/dbraw/zinc/21/04/23/1079210423.db2.gz DPWKULNSLQOWPE-LJQANCHMSA-N 1 0 401.511 0.846 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4=O)cc3)C2)CC1 ZINC000609321066 1079210561 /nfs/dbraw/zinc/21/05/61/1079210561.db2.gz FHLNVGFDMLAZBP-IBGZPJMESA-N 1 0 413.522 0.990 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4=O)cc3)C2)CC1 ZINC000609321067 1079210447 /nfs/dbraw/zinc/21/04/47/1079210447.db2.gz FHLNVGFDMLAZBP-LJQANCHMSA-N 1 0 413.522 0.990 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)NC4CC4)cc3)C2)CC1 ZINC000609321080 1079211130 /nfs/dbraw/zinc/21/11/30/1079211130.db2.gz GQMZDXGOCFYMPI-IBGZPJMESA-N 1 0 413.522 0.756 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)NC4CC4)cc3)C2)CC1 ZINC000609321081 1079211218 /nfs/dbraw/zinc/21/12/18/1079211218.db2.gz GQMZDXGOCFYMPI-LJQANCHMSA-N 1 0 413.522 0.756 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)CC1 ZINC000609321090 1079211197 /nfs/dbraw/zinc/21/11/97/1079211197.db2.gz HEEFVWJYMUFUGP-HNNXBMFYSA-N 1 0 401.467 0.194 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)CC1 ZINC000609321091 1079209457 /nfs/dbraw/zinc/20/94/57/1079209457.db2.gz HEEFVWJYMUFUGP-OAHLLOKOSA-N 1 0 401.467 0.194 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)C2)CC1 ZINC000609321092 1079209373 /nfs/dbraw/zinc/20/93/73/1079209373.db2.gz HETFXLKIBFKLEX-INIZCTEOSA-N 1 0 414.510 0.054 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)C2)CC1 ZINC000609321093 1079209291 /nfs/dbraw/zinc/20/92/91/1079209291.db2.gz HETFXLKIBFKLEX-MRXNPFEDSA-N 1 0 414.510 0.054 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(C(=O)OC)c3C)C2)CC1 ZINC000609321144 1079209399 /nfs/dbraw/zinc/20/93/99/1079209399.db2.gz LQPYLJHSPHLJRR-INIZCTEOSA-N 1 0 402.495 0.959 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(C(=O)OC)c3C)C2)CC1 ZINC000609321145 1079209262 /nfs/dbraw/zinc/20/92/62/1079209262.db2.gz LQPYLJHSPHLJRR-MRXNPFEDSA-N 1 0 402.495 0.959 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCN4C(C)=O)C2)CC1 ZINC000609321164 1079209246 /nfs/dbraw/zinc/20/92/46/1079209246.db2.gz NJZOJCRJEHYWDS-IBGZPJMESA-N 1 0 413.522 0.773 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCN4C(C)=O)C2)CC1 ZINC000609321165 1079209416 /nfs/dbraw/zinc/20/94/16/1079209416.db2.gz NJZOJCRJEHYWDS-LJQANCHMSA-N 1 0 413.522 0.773 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000609321182 1079209487 /nfs/dbraw/zinc/20/94/87/1079209487.db2.gz OCKOJPQEAFEZGH-GOSISDBHSA-N 1 0 400.527 0.859 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000609321183 1079209300 /nfs/dbraw/zinc/20/93/00/1079209300.db2.gz OCKOJPQEAFEZGH-SFHVURJKSA-N 1 0 400.527 0.859 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CS4)C2)CC1 ZINC000609321184 1079209359 /nfs/dbraw/zinc/20/93/59/1079209359.db2.gz ONMMWOGBOCCMJX-HNNXBMFYSA-N 1 0 417.535 0.908 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CS4)C2)CC1 ZINC000609321185 1079209671 /nfs/dbraw/zinc/20/96/71/1079209671.db2.gz ONMMWOGBOCCMJX-OAHLLOKOSA-N 1 0 417.535 0.908 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)C2)CC1 ZINC000609321208 1079209740 /nfs/dbraw/zinc/20/97/40/1079209740.db2.gz RLQVXJVFQXUSLD-HNNXBMFYSA-N 1 0 401.467 0.194 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)C2)CC1 ZINC000609321209 1079209828 /nfs/dbraw/zinc/20/98/28/1079209828.db2.gz RLQVXJVFQXUSLD-OAHLLOKOSA-N 1 0 401.467 0.194 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)OC)c(C)c3)C2)CC1 ZINC000609321222 1079209813 /nfs/dbraw/zinc/20/98/13/1079209813.db2.gz TUQZVPJEPBWZSL-KRWDZBQOSA-N 1 0 402.495 0.959 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)OC)c(C)c3)C2)CC1 ZINC000609321223 1079209767 /nfs/dbraw/zinc/20/97/67/1079209767.db2.gz TUQZVPJEPBWZSL-QGZVFWFLSA-N 1 0 402.495 0.959 20 0 HCADRO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000609321228 1079208979 /nfs/dbraw/zinc/20/89/79/1079208979.db2.gz UDUXUKXBTDPRCL-GOSISDBHSA-N 1 0 415.538 0.922 20 0 HCADRO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000609321229 1079208925 /nfs/dbraw/zinc/20/89/25/1079208925.db2.gz UDUXUKXBTDPRCL-SFHVURJKSA-N 1 0 415.538 0.922 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)C2)CC1 ZINC000609321256 1079210748 /nfs/dbraw/zinc/21/07/48/1079210748.db2.gz XISXCFUGKIICEB-INIZCTEOSA-N 1 0 417.510 0.118 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)C2)CC1 ZINC000609321257 1079210889 /nfs/dbraw/zinc/21/08/89/1079210889.db2.gz XISXCFUGKIICEB-MRXNPFEDSA-N 1 0 417.510 0.118 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(CC(=O)NC)cc3)C2)CC1 ZINC000609321278 1079210814 /nfs/dbraw/zinc/21/08/14/1079210814.db2.gz YRJCKSVVJTYBDW-GOSISDBHSA-N 1 0 401.511 0.152 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(CC(=O)NC)cc3)C2)CC1 ZINC000609321279 1079211080 /nfs/dbraw/zinc/21/10/80/1079211080.db2.gz YRJCKSVVJTYBDW-SFHVURJKSA-N 1 0 401.511 0.152 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cc(NC(C)=O)ccc3OC)C2)CC1 ZINC000609321284 1079211143 /nfs/dbraw/zinc/21/11/43/1079211143.db2.gz ZQSNCDBDEBGIGN-KRWDZBQOSA-N 1 0 417.510 0.831 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc(NC(C)=O)ccc3OC)C2)CC1 ZINC000609321285 1079211232 /nfs/dbraw/zinc/21/12/32/1079211232.db2.gz ZQSNCDBDEBGIGN-QGZVFWFLSA-N 1 0 417.510 0.831 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CNC(=O)c3ccc(OC)c(OC)c3)C2)CC1 ZINC000609321314 1079213784 /nfs/dbraw/zinc/21/37/84/1079213784.db2.gz CWZGQIVOINCSMA-KRWDZBQOSA-N 1 0 404.511 0.672 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CNC(=O)c3ccc(OC)c(OC)c3)C2)CC1 ZINC000609321315 1079213619 /nfs/dbraw/zinc/21/36/19/1079213619.db2.gz CWZGQIVOINCSMA-QGZVFWFLSA-N 1 0 404.511 0.672 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000609321340 1079213559 /nfs/dbraw/zinc/21/35/59/1079213559.db2.gz HWUGLXXOSQMYDK-MSOLQXFVSA-N 1 0 400.589 0.819 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000609321341 1079213669 /nfs/dbraw/zinc/21/36/69/1079213669.db2.gz HWUGLXXOSQMYDK-QZTJIDSGSA-N 1 0 400.589 0.819 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000609321342 1079213761 /nfs/dbraw/zinc/21/37/61/1079213761.db2.gz HWUGLXXOSQMYDK-ROUUACIJSA-N 1 0 400.589 0.819 20 0 HCADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000609321343 1079213638 /nfs/dbraw/zinc/21/36/38/1079213638.db2.gz HWUGLXXOSQMYDK-ZWKOTPCHSA-N 1 0 400.589 0.819 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CS(=O)(=O)NC3CCC(C)CC3)C2)CC1 ZINC000609321568 1079214094 /nfs/dbraw/zinc/21/40/94/1079214094.db2.gz MRIPDSQBWDKGEB-ABHNRTSZSA-N 1 0 400.589 0.723 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CS(=O)(=O)NC3CCC(C)CC3)C2)CC1 ZINC000609321571 1079214121 /nfs/dbraw/zinc/21/41/21/1079214121.db2.gz MRIPDSQBWDKGEB-DAWZGUTISA-N 1 0 400.589 0.723 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CNC(=O)c3cc(OC)cc(OC)c3)C2)CC1 ZINC000609321780 1079214066 /nfs/dbraw/zinc/21/40/66/1079214066.db2.gz WPQIEESJELOXAY-KRWDZBQOSA-N 1 0 404.511 0.672 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CNC(=O)c3cc(OC)cc(OC)c3)C2)CC1 ZINC000609321781 1079214158 /nfs/dbraw/zinc/21/41/58/1079214158.db2.gz WPQIEESJELOXAY-QGZVFWFLSA-N 1 0 404.511 0.672 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C(C)=O)cc3)C2)CC1 ZINC000609321797 1079214001 /nfs/dbraw/zinc/21/40/01/1079214001.db2.gz XKHIOGJHSAFKAY-GOSISDBHSA-N 1 0 422.551 0.406 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C(C)=O)cc3)C2)CC1 ZINC000609321799 1079214047 /nfs/dbraw/zinc/21/40/47/1079214047.db2.gz XKHIOGJHSAFKAY-SFHVURJKSA-N 1 0 422.551 0.406 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(OCC(=O)OC)c3)C2)CC1 ZINC000609323658 1079227102 /nfs/dbraw/zinc/22/71/02/1079227102.db2.gz DTICSTLGNHQCBK-QGZVFWFLSA-N 1 0 418.494 0.415 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)CC1 ZINC000609323804 1079228219 /nfs/dbraw/zinc/22/82/19/1079228219.db2.gz IKIOJTFSNXTDAZ-GDBMZVCRSA-N 1 0 415.494 0.583 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)C2)CC1 ZINC000609323805 1079228311 /nfs/dbraw/zinc/22/83/11/1079228311.db2.gz IKIOJTFSNXTDAZ-GOEBONIOSA-N 1 0 415.494 0.583 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)C2)CC1 ZINC000609323806 1079228269 /nfs/dbraw/zinc/22/82/69/1079228269.db2.gz IKIOJTFSNXTDAZ-HOCLYGCPSA-N 1 0 415.494 0.583 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)CC1 ZINC000609323807 1079228091 /nfs/dbraw/zinc/22/80/91/1079228091.db2.gz IKIOJTFSNXTDAZ-ZBFHGGJFSA-N 1 0 415.494 0.583 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cc(C(=O)OC)ccc3F)C2)CC1 ZINC000609324003 1079222956 /nfs/dbraw/zinc/22/29/56/1079222956.db2.gz NZQWDQRHAFUAIG-HNNXBMFYSA-N 1 0 406.458 0.789 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc(C(=O)OC)ccc3F)C2)CC1 ZINC000609324005 1079223073 /nfs/dbraw/zinc/22/30/73/1079223073.db2.gz NZQWDQRHAFUAIG-OAHLLOKOSA-N 1 0 406.458 0.789 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3OCCOC)C2)CC1 ZINC000609324154 1079219956 /nfs/dbraw/zinc/21/99/56/1079219956.db2.gz UJLGSVGIVQSIKE-QGZVFWFLSA-N 1 0 404.511 0.889 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(Cn4cncn4)c3)C2)CC1 ZINC000609324194 1079220230 /nfs/dbraw/zinc/22/02/30/1079220230.db2.gz WPRBUTYZOSLMJF-IBGZPJMESA-N 1 0 411.510 0.503 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(Cn4cncn4)c3)C2)CC1 ZINC000609324195 1079220498 /nfs/dbraw/zinc/22/04/98/1079220498.db2.gz WPRBUTYZOSLMJF-LJQANCHMSA-N 1 0 411.510 0.503 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(C)c(-n4cnnn4)c3)C2)CC1 ZINC000609324384 1079231730 /nfs/dbraw/zinc/23/17/30/1079231730.db2.gz YQSYUPVLSCBFIA-KRWDZBQOSA-N 1 0 412.498 0.148 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(C)c(-n4cnnn4)c3)C2)CC1 ZINC000609324385 1079231817 /nfs/dbraw/zinc/23/18/17/1079231817.db2.gz YQSYUPVLSCBFIA-QGZVFWFLSA-N 1 0 412.498 0.148 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(-c4nncn4C)c3)C2)CC1 ZINC000609324393 1079231759 /nfs/dbraw/zinc/23/17/59/1079231759.db2.gz ZAMXUFLXXGYLDB-GOSISDBHSA-N 1 0 411.510 0.659 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(-c4nncn4C)c3)C2)CC1 ZINC000609324394 1079231771 /nfs/dbraw/zinc/23/17/71/1079231771.db2.gz ZAMXUFLXXGYLDB-SFHVURJKSA-N 1 0 411.510 0.659 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)CC)cc3)C2)CC1 ZINC000609324395 1079231870 /nfs/dbraw/zinc/23/18/70/1079231870.db2.gz ZAXBUFQELMNRMT-KRWDZBQOSA-N 1 0 422.551 0.657 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)CC)cc3)C2)CC1 ZINC000609324396 1079231832 /nfs/dbraw/zinc/23/18/32/1079231832.db2.gz ZAXBUFQELMNRMT-QGZVFWFLSA-N 1 0 422.551 0.657 20 0 HCADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000609331453 1079245430 /nfs/dbraw/zinc/24/54/30/1079245430.db2.gz LGZXHYJBLORHSJ-CVEARBPZSA-N 1 0 407.602 0.761 20 0 HCADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000609331454 1079245321 /nfs/dbraw/zinc/24/53/21/1079245321.db2.gz LGZXHYJBLORHSJ-HOTGVXAUSA-N 1 0 407.602 0.761 20 0 HCADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000609331455 1079245235 /nfs/dbraw/zinc/24/52/35/1079245235.db2.gz LGZXHYJBLORHSJ-HZPDHXFCSA-N 1 0 407.602 0.761 20 0 HCADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000609331457 1079245461 /nfs/dbraw/zinc/24/54/61/1079245461.db2.gz LGZXHYJBLORHSJ-JKSUJKDBSA-N 1 0 407.602 0.761 20 0 HCADRO CCOC(=O)C1CCN(S(=O)(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000609352891 1079248321 /nfs/dbraw/zinc/24/83/21/1079248321.db2.gz RMULABKDMQMWRR-UHFFFAOYSA-N 1 0 405.561 0.985 20 0 HCADRO COC(=O)c1ccc(S(=O)(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000609353209 1079248441 /nfs/dbraw/zinc/24/84/41/1079248441.db2.gz QKPCBGYQNNJGDZ-UHFFFAOYSA-N 1 0 408.480 0.952 20 0 HCADRO CC[N@@H+]1CC[C@@H](CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000609357793 1079253441 /nfs/dbraw/zinc/25/34/41/1079253441.db2.gz XYAXYAZRDYIJJH-AWEZNQCLSA-N 1 0 401.554 0.904 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000609405085 1079257973 /nfs/dbraw/zinc/25/79/73/1079257973.db2.gz JFMWMLJJHBKNHP-KRWDZBQOSA-N 1 0 416.478 0.057 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000609405092 1079257915 /nfs/dbraw/zinc/25/79/15/1079257915.db2.gz JFMWMLJJHBKNHP-QGZVFWFLSA-N 1 0 416.478 0.057 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000609405241 1079257693 /nfs/dbraw/zinc/25/76/93/1079257693.db2.gz SAMLRLGRPKFCMV-KRWDZBQOSA-N 1 0 416.478 0.519 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000609405242 1079257758 /nfs/dbraw/zinc/25/77/58/1079257758.db2.gz SAMLRLGRPKFCMV-QGZVFWFLSA-N 1 0 416.478 0.519 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000609405356 1079257837 /nfs/dbraw/zinc/25/78/37/1079257837.db2.gz ZLAXLNFIQHADJU-MRXNPFEDSA-N 1 0 402.451 0.128 20 0 HCADRO C[NH+](C)C1CCN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000609417370 1079259485 /nfs/dbraw/zinc/25/94/85/1079259485.db2.gz 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CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000609562731 1078476413 /nfs/dbraw/zinc/47/64/13/1078476413.db2.gz GWGMBBSXPBGUDZ-MSOLQXFVSA-N 1 0 414.554 0.786 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000609562732 1078476378 /nfs/dbraw/zinc/47/63/78/1078476378.db2.gz GWGMBBSXPBGUDZ-QZTJIDSGSA-N 1 0 414.554 0.786 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000609562733 1078476282 /nfs/dbraw/zinc/47/62/82/1078476282.db2.gz GWGMBBSXPBGUDZ-ROUUACIJSA-N 1 0 414.554 0.786 20 0 HCADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)c2ccccc2O1 ZINC000609565949 1078477457 /nfs/dbraw/zinc/47/74/57/1078477457.db2.gz PQCAHHADNQZOJR-GOSISDBHSA-N 1 0 419.478 0.523 20 0 HCADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)c2ccccc2O1 ZINC000609565950 1078477441 /nfs/dbraw/zinc/47/74/41/1078477441.db2.gz PQCAHHADNQZOJR-SFHVURJKSA-N 1 0 419.478 0.523 20 0 HCADRO 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COCCN(CC(=O)OC)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000609625482 1078496233 /nfs/dbraw/zinc/49/62/33/1078496233.db2.gz OIEHTVZCITZEEK-UHFFFAOYSA-N 1 0 401.467 0.825 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc(I)c[nH]2)C1 ZINC000609661546 1078503475 /nfs/dbraw/zinc/50/34/75/1078503475.db2.gz DMAGIHRVNHLCFK-JTQLQIEISA-N 1 0 404.252 0.937 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(I)c[nH]2)C1 ZINC000609661547 1078503641 /nfs/dbraw/zinc/50/36/41/1078503641.db2.gz DMAGIHRVNHLCFK-SNVBAGLBSA-N 1 0 404.252 0.937 20 0 HCADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609664906 1078505881 /nfs/dbraw/zinc/50/58/81/1078505881.db2.gz MPOOHXMVASNZKF-CVEARBPZSA-N 1 0 406.618 0.286 20 0 HCADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000609664907 1078505772 /nfs/dbraw/zinc/50/57/72/1078505772.db2.gz MPOOHXMVASNZKF-HOTGVXAUSA-N 1 0 406.618 0.286 20 0 HCADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609664908 1078505848 /nfs/dbraw/zinc/50/58/48/1078505848.db2.gz MPOOHXMVASNZKF-HZPDHXFCSA-N 1 0 406.618 0.286 20 0 HCADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000609664909 1078505200 /nfs/dbraw/zinc/50/52/00/1078505200.db2.gz MPOOHXMVASNZKF-JKSUJKDBSA-N 1 0 406.618 0.286 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CSCC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000609667095 1078506469 /nfs/dbraw/zinc/50/64/69/1078506469.db2.gz DFMVHALLKUADSH-DLBZAZTESA-N 1 0 401.573 0.832 20 0 HCADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CSCC(=O)N2CCOCC2)[C@H](C)C1 ZINC000609667096 1078506594 /nfs/dbraw/zinc/50/65/94/1078506594.db2.gz DFMVHALLKUADSH-IAGOWNOFSA-N 1 0 401.573 0.832 20 0 HCADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CSCC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000609667098 1078506260 /nfs/dbraw/zinc/50/62/60/1078506260.db2.gz DFMVHALLKUADSH-IRXDYDNUSA-N 1 0 401.573 0.832 20 0 HCADRO COC(=O)c1cn(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c2ccccc12 ZINC000609667973 1078507531 /nfs/dbraw/zinc/50/75/31/1078507531.db2.gz ATYHDIOCGQMIGC-KRWDZBQOSA-N 1 0 414.506 0.951 20 0 HCADRO COC(=O)c1cn(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c2ccccc12 ZINC000609667974 1078507721 /nfs/dbraw/zinc/50/77/21/1078507721.db2.gz ATYHDIOCGQMIGC-QGZVFWFLSA-N 1 0 414.506 0.951 20 0 HCADRO CSCC[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668485 1078506402 /nfs/dbraw/zinc/50/64/02/1078506402.db2.gz SFEBBSNDXBMTEW-DLBZAZTESA-N 1 0 424.567 0.654 20 0 HCADRO CSCC[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668487 1078506869 /nfs/dbraw/zinc/50/68/69/1078506869.db2.gz SFEBBSNDXBMTEW-IAGOWNOFSA-N 1 0 424.567 0.654 20 0 HCADRO CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668488 1078506311 /nfs/dbraw/zinc/50/63/11/1078506311.db2.gz SFEBBSNDXBMTEW-IRXDYDNUSA-N 1 0 424.567 0.654 20 0 HCADRO CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668561 1078506352 /nfs/dbraw/zinc/50/63/52/1078506352.db2.gz SFEBBSNDXBMTEW-SJORKVTESA-N 1 0 424.567 0.654 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(I)c[nH]1 ZINC000609668760 1078508329 /nfs/dbraw/zinc/50/83/29/1078508329.db2.gz ZYOBRCAZKYSYRR-CYBMUJFWSA-N 1 0 418.279 0.756 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(I)c[nH]1 ZINC000609668761 1078508699 /nfs/dbraw/zinc/50/86/99/1078508699.db2.gz ZYOBRCAZKYSYRR-ZDUSSCGKSA-N 1 0 418.279 0.756 20 0 HCADRO CCOC(=O)Cc1csc(NC(=O)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000609672446 1078509760 /nfs/dbraw/zinc/50/97/60/1078509760.db2.gz HQRQUCYEDXKZTG-INIZCTEOSA-N 1 0 409.556 0.899 20 0 HCADRO CCOC(=O)Cc1csc(NC(=O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000609672447 1078509465 /nfs/dbraw/zinc/50/94/65/1078509465.db2.gz HQRQUCYEDXKZTG-MRXNPFEDSA-N 1 0 409.556 0.899 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)CC2)C1 ZINC000609672740 1078511094 /nfs/dbraw/zinc/51/10/94/1078511094.db2.gz PTSLJGDWBNKOBG-INIZCTEOSA-N 1 0 403.483 0.775 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)CC2)C1 ZINC000609672741 1078510797 /nfs/dbraw/zinc/51/07/97/1078510797.db2.gz PTSLJGDWBNKOBG-MRXNPFEDSA-N 1 0 403.483 0.775 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)C1 ZINC000609672785 1078511056 /nfs/dbraw/zinc/51/10/56/1078511056.db2.gz VUVBULSGPPPFHF-KRWDZBQOSA-N 1 0 417.510 0.818 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)C1 ZINC000609672786 1078511181 /nfs/dbraw/zinc/51/11/81/1078511181.db2.gz VUVBULSGPPPFHF-QGZVFWFLSA-N 1 0 417.510 0.818 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(OC)c(C(=O)N(C)C)c3)C2)CC1 ZINC000609674237 1078511728 /nfs/dbraw/zinc/51/17/28/1078511728.db2.gz INHLSTZCQGQFLG-INIZCTEOSA-N 1 0 424.567 0.798 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(OC)c(C(=O)N(C)C)c3)C2)CC1 ZINC000609674238 1078511497 /nfs/dbraw/zinc/51/14/97/1078511497.db2.gz INHLSTZCQGQFLG-MRXNPFEDSA-N 1 0 424.567 0.798 20 0 HCADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000609675224 1078512315 /nfs/dbraw/zinc/51/23/15/1078512315.db2.gz FDUXEXFLAGBGDV-SJORKVTESA-N 1 0 402.561 0.218 20 0 HCADRO COC(=O)COc1ccc(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000609675298 1078512374 /nfs/dbraw/zinc/51/23/74/1078512374.db2.gz IWIJWKZCIYJOEK-INIZCTEOSA-N 1 0 411.524 0.639 20 0 HCADRO COC(=O)COc1ccc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000609675299 1078512210 /nfs/dbraw/zinc/51/22/10/1078512210.db2.gz IWIJWKZCIYJOEK-MRXNPFEDSA-N 1 0 411.524 0.639 20 0 HCADRO COC(=O)COc1cccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000609679428 1078513696 /nfs/dbraw/zinc/51/36/96/1078513696.db2.gz LSCYNVAROCCLBQ-UHFFFAOYSA-N 1 0 418.494 0.688 20 0 HCADRO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC([N@H+](C)CCCO)CC1 ZINC000609680843 1078515181 /nfs/dbraw/zinc/51/51/81/1078515181.db2.gz ICKBKRPAYNCTDR-FQEVSTJZSA-N 1 0 403.523 0.892 20 0 HCADRO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCC([N@H+](C)CCCO)CC1 ZINC000609680846 1078515081 /nfs/dbraw/zinc/51/50/81/1078515081.db2.gz ICKBKRPAYNCTDR-HXUWFJFHSA-N 1 0 403.523 0.892 20 0 HCADRO CC1CCC([NH+]2CCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000609681771 1078514992 /nfs/dbraw/zinc/51/49/92/1078514992.db2.gz YNCKGFRSBNUVMR-HWOWSKLDSA-N 1 0 400.545 0.196 20 0 HCADRO CC1CCC([NH+]2CCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000609681772 1078514875 /nfs/dbraw/zinc/51/48/75/1078514875.db2.gz YNCKGFRSBNUVMR-PCKAHOCUSA-N 1 0 400.545 0.196 20 0 HCADRO COC(=O)c1cc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1OC ZINC000609684661 1078515033 /nfs/dbraw/zinc/51/50/33/1078515033.db2.gz HVPPWLDADHGCKX-KRWDZBQOSA-N 1 0 420.510 0.688 20 0 HCADRO COC(=O)c1cc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1OC ZINC000609684663 1078515276 /nfs/dbraw/zinc/51/52/76/1078515276.db2.gz HVPPWLDADHGCKX-QGZVFWFLSA-N 1 0 420.510 0.688 20 0 HCADRO COC(=O)c1ccc(CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000609685439 1078514940 /nfs/dbraw/zinc/51/49/40/1078514940.db2.gz WLTWPKDULIGCHQ-IBGZPJMESA-N 1 0 404.511 0.721 20 0 HCADRO COC(=O)c1ccc(CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000609685440 1078514901 /nfs/dbraw/zinc/51/49/01/1078514901.db2.gz WLTWPKDULIGCHQ-LJQANCHMSA-N 1 0 404.511 0.721 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cccc(OCC(=O)OC)c2)CC1 ZINC000609685805 1078517059 /nfs/dbraw/zinc/51/70/59/1078517059.db2.gz GTEBGLFJQWVDBZ-UHFFFAOYSA-N 1 0 420.510 0.934 20 0 HCADRO COC(=O)c1ccc(OCCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000609686208 1078517026 /nfs/dbraw/zinc/51/70/26/1078517026.db2.gz RKGMYFKSXUGOBD-GOSISDBHSA-N 1 0 420.510 0.558 20 0 HCADRO COC(=O)c1ccc(OCCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000609686209 1078516769 /nfs/dbraw/zinc/51/67/69/1078516769.db2.gz RKGMYFKSXUGOBD-SFHVURJKSA-N 1 0 420.510 0.558 20 0 HCADRO COC(=O)c1ccc2c(c1)CN(C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC000609686347 1078516074 /nfs/dbraw/zinc/51/60/74/1078516074.db2.gz BXMSPBICIJJFDY-IBGZPJMESA-N 1 0 402.495 0.905 20 0 HCADRO COC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC000609686348 1078516592 /nfs/dbraw/zinc/51/65/92/1078516592.db2.gz BXMSPBICIJJFDY-LJQANCHMSA-N 1 0 402.495 0.905 20 0 HCADRO COC(=O)c1cc(CN(C)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)oc1C ZINC000609686468 1078515694 /nfs/dbraw/zinc/51/56/94/1078515694.db2.gz KFDBYOUFWCFVCD-INIZCTEOSA-N 1 0 408.499 0.923 20 0 HCADRO COC(=O)c1cc(CN(C)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)oc1C ZINC000609686469 1078516230 /nfs/dbraw/zinc/51/62/30/1078516230.db2.gz KFDBYOUFWCFVCD-MRXNPFEDSA-N 1 0 408.499 0.923 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2)CC1 ZINC000609686721 1078517122 /nfs/dbraw/zinc/51/71/22/1078517122.db2.gz ACLMEAXYAMWQEV-HNNXBMFYSA-N 1 0 413.519 0.395 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2)CC1 ZINC000609686722 1078516960 /nfs/dbraw/zinc/51/69/60/1078516960.db2.gz ACLMEAXYAMWQEV-OAHLLOKOSA-N 1 0 413.519 0.395 20 0 HCADRO COC(=O)COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000609687964 1078517453 /nfs/dbraw/zinc/51/74/53/1078517453.db2.gz YXCIJHQGVCSGHH-GOSISDBHSA-N 1 0 420.510 0.444 20 0 HCADRO COC(=O)COc1cccc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000609687966 1078518140 /nfs/dbraw/zinc/51/81/40/1078518140.db2.gz YXCIJHQGVCSGHH-SFHVURJKSA-N 1 0 420.510 0.444 20 0 HCADRO COC(=O)c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000609690362 1078519042 /nfs/dbraw/zinc/51/90/42/1078519042.db2.gz BOYOGUWDSYHYLP-INIZCTEOSA-N 1 0 402.495 0.959 20 0 HCADRO COC(=O)c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000609690363 1078518762 /nfs/dbraw/zinc/51/87/62/1078518762.db2.gz BOYOGUWDSYHYLP-MRXNPFEDSA-N 1 0 402.495 0.959 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000609690399 1078518800 /nfs/dbraw/zinc/51/88/00/1078518800.db2.gz FBJLSZYSLXFZDA-KRWDZBQOSA-N 1 0 402.495 0.959 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000609690400 1078518973 /nfs/dbraw/zinc/51/89/73/1078518973.db2.gz FBJLSZYSLXFZDA-QGZVFWFLSA-N 1 0 402.495 0.959 20 0 HCADRO COC(=O)COc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000609690435 1078519000 /nfs/dbraw/zinc/51/90/00/1078519000.db2.gz HQOHKGMIUDSASU-KRWDZBQOSA-N 1 0 418.494 0.415 20 0 HCADRO COC(=O)COc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000609690436 1078518878 /nfs/dbraw/zinc/51/88/78/1078518878.db2.gz HQOHKGMIUDSASU-QGZVFWFLSA-N 1 0 418.494 0.415 20 0 HCADRO COC(=O)COc1cccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000609690452 1078518926 /nfs/dbraw/zinc/51/89/26/1078518926.db2.gz JJRLQGGFJJFAIQ-UHFFFAOYSA-N 1 0 407.467 0.482 20 0 HCADRO COC(=O)COc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000609690459 1078518322 /nfs/dbraw/zinc/51/83/22/1078518322.db2.gz KKXIHMRZIBNUPW-KRWDZBQOSA-N 1 0 418.494 0.415 20 0 HCADRO COC(=O)COc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000609690460 1078518240 /nfs/dbraw/zinc/51/82/40/1078518240.db2.gz KKXIHMRZIBNUPW-QGZVFWFLSA-N 1 0 418.494 0.415 20 0 HCADRO COC(=O)COc1ccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c(C)c1 ZINC000609690475 1078518365 /nfs/dbraw/zinc/51/83/65/1078518365.db2.gz LHXYTWBBCNUCID-UHFFFAOYSA-N 1 0 421.494 0.791 20 0 HCADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c2ccccc2O1 ZINC000609690486 1078518401 /nfs/dbraw/zinc/51/84/01/1078518401.db2.gz LXNKJLIUJYHWLC-GOSISDBHSA-N 1 0 419.478 0.259 20 0 HCADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c2ccccc2O1 ZINC000609690487 1078518300 /nfs/dbraw/zinc/51/83/00/1078518300.db2.gz LXNKJLIUJYHWLC-SFHVURJKSA-N 1 0 419.478 0.259 20 0 HCADRO COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000609690553 1078518732 /nfs/dbraw/zinc/51/87/32/1078518732.db2.gz QAVGMQBZSDBMKM-HNNXBMFYSA-N 1 0 406.458 0.789 20 0 HCADRO COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000609690554 1078518603 /nfs/dbraw/zinc/51/86/03/1078518603.db2.gz QAVGMQBZSDBMKM-OAHLLOKOSA-N 1 0 406.458 0.789 20 0 HCADRO COC(=O)COc1ccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000609690575 1078518686 /nfs/dbraw/zinc/51/86/86/1078518686.db2.gz RMXNGGIPQXNDPH-UHFFFAOYSA-N 1 0 407.467 0.482 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(F)cc1F ZINC000609690716 1078520208 /nfs/dbraw/zinc/52/02/08/1078520208.db2.gz CFMFACHBTGQEKB-CYBMUJFWSA-N 1 0 424.448 0.928 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(F)cc1F ZINC000609690717 1078520285 /nfs/dbraw/zinc/52/02/85/1078520285.db2.gz CFMFACHBTGQEKB-ZDUSSCGKSA-N 1 0 424.448 0.928 20 0 HCADRO COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000609690784 1078510139 /nfs/dbraw/zinc/51/01/39/1078510139.db2.gz GPCWYKHTUOETCY-IBGZPJMESA-N 1 0 416.522 0.969 20 0 HCADRO COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000609690786 1078510303 /nfs/dbraw/zinc/51/03/03/1078510303.db2.gz GPCWYKHTUOETCY-LJQANCHMSA-N 1 0 416.522 0.969 20 0 HCADRO COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000609691192 1078510067 /nfs/dbraw/zinc/51/00/67/1078510067.db2.gz PYSXYRCCHWHBAB-KRWDZBQOSA-N 1 0 402.495 0.959 20 0 HCADRO COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000609691194 1078510189 /nfs/dbraw/zinc/51/01/89/1078510189.db2.gz PYSXYRCCHWHBAB-QGZVFWFLSA-N 1 0 402.495 0.959 20 0 HCADRO COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000609691255 1078510249 /nfs/dbraw/zinc/51/02/49/1078510249.db2.gz QSTZTYLSDRMWHQ-GOSISDBHSA-N 1 0 402.495 0.579 20 0 HCADRO COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000609691260 1078510206 /nfs/dbraw/zinc/51/02/06/1078510206.db2.gz QSTZTYLSDRMWHQ-SFHVURJKSA-N 1 0 402.495 0.579 20 0 HCADRO CCOC(=O)CCS(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000609692104 1078512729 /nfs/dbraw/zinc/51/27/29/1078512729.db2.gz KGZLWFOQGZAJTB-UHFFFAOYSA-N 1 0 405.561 0.685 20 0 HCADRO CCOC(=O)CCS(=O)(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000609692352 1078511158 /nfs/dbraw/zinc/51/11/58/1078511158.db2.gz OCEYDLUBLIUONR-KRWDZBQOSA-N 1 0 411.524 0.757 20 0 HCADRO CCOC(=O)CCS(=O)(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000609692354 1078510931 /nfs/dbraw/zinc/51/09/31/1078510931.db2.gz OCEYDLUBLIUONR-QGZVFWFLSA-N 1 0 411.524 0.757 20 0 HCADRO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000609730977 1078524517 /nfs/dbraw/zinc/52/45/17/1078524517.db2.gz HFJKXZGIECUKFQ-GOSISDBHSA-N 1 0 402.495 0.479 20 0 HCADRO COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000609730979 1078524434 /nfs/dbraw/zinc/52/44/34/1078524434.db2.gz HFJKXZGIECUKFQ-SFHVURJKSA-N 1 0 402.495 0.479 20 0 HCADRO Cc1nnc2n1C[C@H](CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)CC2 ZINC000609746410 1078529211 /nfs/dbraw/zinc/52/92/11/1078529211.db2.gz QYAIPAGESWQSOD-KRWDZBQOSA-N 1 0 413.526 0.940 20 0 HCADRO Cc1nnc2n1C[C@@H](CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)CC2 ZINC000609746411 1078529327 /nfs/dbraw/zinc/52/93/27/1078529327.db2.gz QYAIPAGESWQSOD-QGZVFWFLSA-N 1 0 413.526 0.940 20 0 HCADRO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CCO1 ZINC000609756404 1078536639 /nfs/dbraw/zinc/53/66/39/1078536639.db2.gz NDWHKIPRMDVZSA-HNNXBMFYSA-N 1 0 413.858 0.619 20 0 HCADRO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CCO1 ZINC000609756405 1078536528 /nfs/dbraw/zinc/53/65/28/1078536528.db2.gz NDWHKIPRMDVZSA-OAHLLOKOSA-N 1 0 413.858 0.619 20 0 HCADRO Cc1nnc2n1C[C@@H](CNC(=O)N1CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC1)CC2 ZINC000609779133 1078540720 /nfs/dbraw/zinc/54/07/20/1078540720.db2.gz QNIYZNUABLHZAQ-MOPGFXCFSA-N 1 0 419.574 0.585 20 0 HCADRO Cc1nnc2n1C[C@H](CNC(=O)N1CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC1)CC2 ZINC000609779148 1078541425 /nfs/dbraw/zinc/54/14/25/1078541425.db2.gz QNIYZNUABLHZAQ-OALUTQOASA-N 1 0 419.574 0.585 20 0 HCADRO Cc1nnc2n1C[C@H](CNC(=O)N1CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC1)CC2 ZINC000609779150 1078541168 /nfs/dbraw/zinc/54/11/68/1078541168.db2.gz QNIYZNUABLHZAQ-RBUKOAKNSA-N 1 0 419.574 0.585 20 0 HCADRO Cc1nnc2n1C[C@@H](CNC(=O)N1CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC1)CC2 ZINC000609779153 1078541273 /nfs/dbraw/zinc/54/12/73/1078541273.db2.gz QNIYZNUABLHZAQ-RTBURBONSA-N 1 0 419.574 0.585 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)C2)CC1 ZINC000609810010 1078549008 /nfs/dbraw/zinc/54/90/08/1078549008.db2.gz DBOMHAMVVDPGIB-GOSISDBHSA-N 1 0 409.556 0.980 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)C2)CC1 ZINC000609810011 1078549196 /nfs/dbraw/zinc/54/91/96/1078549196.db2.gz DBOMHAMVVDPGIB-SFHVURJKSA-N 1 0 409.556 0.980 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000609811379 1078549533 /nfs/dbraw/zinc/54/95/33/1078549533.db2.gz AOGGJTVQDRVEIH-INIZCTEOSA-N 1 0 404.467 0.057 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000609811381 1078549744 /nfs/dbraw/zinc/54/97/44/1078549744.db2.gz AOGGJTVQDRVEIH-MRXNPFEDSA-N 1 0 404.467 0.057 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 ZINC000609811552 1078549688 /nfs/dbraw/zinc/54/96/88/1078549688.db2.gz JFQMSANZZKOIDW-INIZCTEOSA-N 1 0 404.467 0.519 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 ZINC000609811553 1078549580 /nfs/dbraw/zinc/54/95/80/1078549580.db2.gz JFQMSANZZKOIDW-MRXNPFEDSA-N 1 0 404.467 0.519 20 0 HCADRO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NCC[NH+](C)C)c1 ZINC000609811666 1078549626 /nfs/dbraw/zinc/54/96/26/1078549626.db2.gz NWTKVRFNHMURGP-INIZCTEOSA-N 1 0 404.467 0.471 20 0 HCADRO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NCC[NH+](C)C)c1 ZINC000609811667 1078549758 /nfs/dbraw/zinc/54/97/58/1078549758.db2.gz NWTKVRFNHMURGP-MRXNPFEDSA-N 1 0 404.467 0.471 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000609811745 1078549657 /nfs/dbraw/zinc/54/96/57/1078549657.db2.gz RBDDDYOZXLFFNR-UHFFFAOYSA-N 1 0 418.494 0.909 20 0 HCADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(I)c1 ZINC000609811809 1078549564 /nfs/dbraw/zinc/54/95/64/1078549564.db2.gz ANVAKRNPAKQTQL-UHFFFAOYSA-N 1 0 405.236 0.924 20 0 HCADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000609811825 1078549598 /nfs/dbraw/zinc/54/95/98/1078549598.db2.gz APQHMYMFXGHAEH-UHFFFAOYSA-N 1 0 405.236 0.924 20 0 HCADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 ZINC000609811967 1078550131 /nfs/dbraw/zinc/55/01/31/1078550131.db2.gz HTJPEUWYNOUCTC-KRWDZBQOSA-N 1 0 418.494 0.861 20 0 HCADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 ZINC000609811968 1078550175 /nfs/dbraw/zinc/55/01/75/1078550175.db2.gz HTJPEUWYNOUCTC-QGZVFWFLSA-N 1 0 418.494 0.861 20 0 HCADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1I ZINC000609811980 1078550072 /nfs/dbraw/zinc/55/00/72/1078550072.db2.gz IGZXBHGSXMRUAG-UHFFFAOYSA-N 1 0 405.236 0.924 20 0 HCADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000609812721 1078549713 /nfs/dbraw/zinc/54/97/13/1078549713.db2.gz GYUUTMYKGZYWLN-KRWDZBQOSA-N 1 0 418.494 0.447 20 0 HCADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000609812722 1078549770 /nfs/dbraw/zinc/54/97/70/1078549770.db2.gz GYUUTMYKGZYWLN-QGZVFWFLSA-N 1 0 418.494 0.447 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 ZINC000609813006 1078550622 /nfs/dbraw/zinc/55/06/22/1078550622.db2.gz QGAQVSPJJWEWOW-PBHICJAKSA-N 1 0 405.451 0.181 20 0 HCADRO COC(=O)CCCS(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000609823873 1078545535 /nfs/dbraw/zinc/54/55/35/1078545535.db2.gz ISIUSFAEQFBWLB-UHFFFAOYSA-N 1 0 405.561 0.685 20 0 HCADRO COC(=O)CCCS(=O)(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000609824130 1078545959 /nfs/dbraw/zinc/54/59/59/1078545959.db2.gz OJVNARWYUIPPMX-KRWDZBQOSA-N 1 0 411.524 0.757 20 0 HCADRO COC(=O)CCCS(=O)(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000609824132 1078545981 /nfs/dbraw/zinc/54/59/81/1078545981.db2.gz OJVNARWYUIPPMX-QGZVFWFLSA-N 1 0 411.524 0.757 20 0 HCADRO COC(=O)CCCS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000609824841 1078546019 /nfs/dbraw/zinc/54/60/19/1078546019.db2.gz REDWVTQXOUXDEM-UHFFFAOYSA-N 1 0 403.545 0.584 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000609842681 1078555918 /nfs/dbraw/zinc/55/59/18/1078555918.db2.gz CKLGRYVYURSNSS-INIZCTEOSA-N 1 0 419.526 0.985 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000609842682 1078555967 /nfs/dbraw/zinc/55/59/67/1078555967.db2.gz CKLGRYVYURSNSS-MRXNPFEDSA-N 1 0 419.526 0.985 20 0 HCADRO COC(=O)c1cc(NC(=O)CN2CC[NH+](C(C)(C)CO)CC2)cc(C(=O)OC)c1 ZINC000609845970 1078552045 /nfs/dbraw/zinc/55/20/45/1078552045.db2.gz QCGOMIQKXYFIOH-UHFFFAOYSA-N 1 0 407.467 0.587 20 0 HCADRO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CC[NH+](C(C)(C)CO)CC1 ZINC000609845975 1078551882 /nfs/dbraw/zinc/55/18/82/1078551882.db2.gz QZANXUIVSCXKCE-AWEZNQCLSA-N 1 0 406.483 0.883 20 0 HCADRO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CC[NH+](C(C)(C)CO)CC1 ZINC000609845976 1078551985 /nfs/dbraw/zinc/55/19/85/1078551985.db2.gz QZANXUIVSCXKCE-CQSZACIVSA-N 1 0 406.483 0.883 20 0 HCADRO COC(=O)COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c(C)c1 ZINC000609848555 1078553170 /nfs/dbraw/zinc/55/31/70/1078553170.db2.gz CVBCEYFHMQDTCN-UHFFFAOYSA-N 1 0 407.467 0.448 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000609848625 1078552555 /nfs/dbraw/zinc/55/25/55/1078552555.db2.gz KHOHMRLKWHFVSG-GFCCVEGCSA-N 1 0 424.885 0.769 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000609848626 1078552472 /nfs/dbraw/zinc/55/24/72/1078552472.db2.gz KHOHMRLKWHFVSG-LBPRGKRZSA-N 1 0 424.885 0.769 20 0 HCADRO COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000609848632 1078552463 /nfs/dbraw/zinc/55/24/63/1078552463.db2.gz KVXSRDMWNIXPKI-CYBMUJFWSA-N 1 0 424.885 0.769 20 0 HCADRO COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000609848633 1078552403 /nfs/dbraw/zinc/55/24/03/1078552403.db2.gz KVXSRDMWNIXPKI-ZDUSSCGKSA-N 1 0 424.885 0.769 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1Cl ZINC000609848635 1078552482 /nfs/dbraw/zinc/55/24/82/1078552482.db2.gz LDXOSHJWAVQCOZ-GFCCVEGCSA-N 1 0 424.885 0.769 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1Cl ZINC000609848636 1078552571 /nfs/dbraw/zinc/55/25/71/1078552571.db2.gz LDXOSHJWAVQCOZ-LBPRGKRZSA-N 1 0 424.885 0.769 20 0 HCADRO COC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000609848711 1078552420 /nfs/dbraw/zinc/55/24/20/1078552420.db2.gz SRBMVXSELJKYFB-HNNXBMFYSA-N 1 0 406.483 0.177 20 0 HCADRO COC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000609848712 1078553023 /nfs/dbraw/zinc/55/30/23/1078553023.db2.gz SRBMVXSELJKYFB-OAHLLOKOSA-N 1 0 406.483 0.177 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(F)cc1F ZINC000609848757 1078552382 /nfs/dbraw/zinc/55/23/82/1078552382.db2.gz XZYXMNPZKSDBEG-GFCCVEGCSA-N 1 0 412.437 0.690 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(F)cc1F ZINC000609848758 1078552509 /nfs/dbraw/zinc/55/25/09/1078552509.db2.gz XZYXMNPZKSDBEG-LBPRGKRZSA-N 1 0 412.437 0.690 20 0 HCADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000609865658 1078556318 /nfs/dbraw/zinc/55/63/18/1078556318.db2.gz ZISVZBMFFZWFLU-INIZCTEOSA-N 1 0 407.602 0.618 20 0 HCADRO COC(=O)Cc1nc(NC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)n[nH]1 ZINC000609879562 1078557130 /nfs/dbraw/zinc/55/71/30/1078557130.db2.gz BHKSOBJJNKXDCV-UHFFFAOYSA-N 1 0 410.438 0.650 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)Cc2cccc(C(=O)OC)c2)CC1 ZINC000609897581 1078562831 /nfs/dbraw/zinc/56/28/31/1078562831.db2.gz JZPAJEUWCGNTEX-UHFFFAOYSA-N 1 0 411.524 0.789 20 0 HCADRO CCOC(=O)C1CCN(S(=O)(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000609899436 1078562758 /nfs/dbraw/zinc/56/27/58/1078562758.db2.gz CBIKAWRUWXWMRA-UHFFFAOYSA-N 1 0 403.545 0.551 20 0 HCADRO CSC[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000609903057 1078559376 /nfs/dbraw/zinc/55/93/76/1078559376.db2.gz RVOMFZKPSUQYLV-CQSZACIVSA-N 1 0 401.558 0.584 20 0 HCADRO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000609920330 1078566045 /nfs/dbraw/zinc/56/60/45/1078566045.db2.gz GHZSXENUGSAFIQ-DLBZAZTESA-N 1 0 412.531 0.540 20 0 HCADRO CCOC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)CC2)nc1 ZINC000609920392 1078566137 /nfs/dbraw/zinc/56/61/37/1078566137.db2.gz JJMOHVNZMBKSED-QGZVFWFLSA-N 1 0 405.499 0.811 20 0 HCADRO CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000609920428 1078566066 /nfs/dbraw/zinc/56/60/66/1078566066.db2.gz LROWSQGKEWGWBM-UHFFFAOYSA-N 1 0 412.531 0.540 20 0 HCADRO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000609920570 1078566157 /nfs/dbraw/zinc/56/61/57/1078566157.db2.gz RITURBRROHDVFH-INIZCTEOSA-N 1 0 412.531 0.540 20 0 HCADRO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000609920571 1078566016 /nfs/dbraw/zinc/56/60/16/1078566016.db2.gz RITURBRROHDVFH-MRXNPFEDSA-N 1 0 412.531 0.540 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000609926657 1078566617 /nfs/dbraw/zinc/56/66/17/1078566617.db2.gz LKQMSBPSSMUPIK-DOTOQJQBSA-N 1 0 408.524 0.206 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000609926658 1078566583 /nfs/dbraw/zinc/56/65/83/1078566583.db2.gz LKQMSBPSSMUPIK-RDJZCZTQSA-N 1 0 408.524 0.206 20 0 HCADRO COC(=O)CCc1nnc(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000609931599 1078567021 /nfs/dbraw/zinc/56/70/21/1078567021.db2.gz CBBHEVVCHWRHLQ-GFCCVEGCSA-N 1 0 412.516 0.708 20 0 HCADRO COC(=O)CCc1nnc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC000609931600 1078566946 /nfs/dbraw/zinc/56/69/46/1078566946.db2.gz CBBHEVVCHWRHLQ-LBPRGKRZSA-N 1 0 412.516 0.708 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000609942823 1078564913 /nfs/dbraw/zinc/56/49/13/1078564913.db2.gz GDADLBYRUZFHBJ-GDLZYMKVSA-N 1 0 415.519 0.826 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000609944008 1078578191 /nfs/dbraw/zinc/57/81/91/1078578191.db2.gz LHLNTRLHAJZVKZ-DEXQXJORSA-N 1 0 408.524 0.421 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000609944011 1078578174 /nfs/dbraw/zinc/57/81/74/1078578174.db2.gz LHLNTRLHAJZVKZ-WVDZOPJMSA-N 1 0 408.524 0.421 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)c(F)c3)C2)CC1 ZINC000609944766 1078578053 /nfs/dbraw/zinc/57/80/53/1078578053.db2.gz VOGZPUUMFOWZRA-INIZCTEOSA-N 1 0 415.473 0.583 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)c(F)c3)C2)CC1 ZINC000609944767 1078578149 /nfs/dbraw/zinc/57/81/49/1078578149.db2.gz VOGZPUUMFOWZRA-MRXNPFEDSA-N 1 0 415.473 0.583 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc([S@](C)=O)c2)CC1 ZINC000609945098 1078579108 /nfs/dbraw/zinc/57/91/08/1078579108.db2.gz OLVSBJBHBUMELA-HPGBDJQBSA-N 1 0 406.552 0.991 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000609945099 1078579172 /nfs/dbraw/zinc/57/91/72/1078579172.db2.gz OLVSBJBHBUMELA-JYRCXFKTSA-N 1 0 406.552 0.991 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000609945101 1078579012 /nfs/dbraw/zinc/57/90/12/1078579012.db2.gz OLVSBJBHBUMELA-YMGMXPECSA-N 1 0 406.552 0.991 20 0 HCADRO C[S@@](=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000609945624 1078578554 /nfs/dbraw/zinc/57/85/54/1078578554.db2.gz VJMUIEXUVPFOCX-MUUNZHRXSA-N 1 0 406.508 0.129 20 0 HCADRO C[S@](=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000609945625 1078578723 /nfs/dbraw/zinc/57/87/23/1078578723.db2.gz VJMUIEXUVPFOCX-NDEPHWFRSA-N 1 0 406.508 0.129 20 0 HCADRO CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)ccc21 ZINC000609945946 1078579185 /nfs/dbraw/zinc/57/91/85/1078579185.db2.gz VAMBBYSCBQHOBX-KRWDZBQOSA-N 1 0 415.494 0.505 20 0 HCADRO CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)ccc21 ZINC000609945947 1078579075 /nfs/dbraw/zinc/57/90/75/1078579075.db2.gz VAMBBYSCBQHOBX-QGZVFWFLSA-N 1 0 415.494 0.505 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(F)c1 ZINC000609946975 1078579817 /nfs/dbraw/zinc/57/98/17/1078579817.db2.gz DFCXVJVXXAMYLF-HNNXBMFYSA-N 1 0 406.458 0.789 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(F)c1 ZINC000609946985 1078580661 /nfs/dbraw/zinc/58/06/61/1078580661.db2.gz DFCXVJVXXAMYLF-OAHLLOKOSA-N 1 0 406.458 0.789 20 0 HCADRO COC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000609948257 1078581052 /nfs/dbraw/zinc/58/10/52/1078581052.db2.gz KDGIZOTWTXUQPJ-UHFFFAOYSA-N 1 0 419.478 0.748 20 0 HCADRO COC(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000609948343 1078581075 /nfs/dbraw/zinc/58/10/75/1078581075.db2.gz SMAQPZBIMARUQX-UHFFFAOYSA-N 1 0 403.479 0.911 20 0 HCADRO CCOC(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000609951232 1078568750 /nfs/dbraw/zinc/56/87/50/1078568750.db2.gz PLDPQZHBUKKDPM-UHFFFAOYSA-N 1 0 404.467 0.472 20 0 HCADRO CCOC(=O)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000609951285 1078568873 /nfs/dbraw/zinc/56/88/73/1078568873.db2.gz WCCHDMMMABBWQX-UHFFFAOYSA-N 1 0 404.467 0.392 20 0 HCADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000609951878 1078568500 /nfs/dbraw/zinc/56/85/00/1078568500.db2.gz GWSNJTAWBYFZPI-UHFFFAOYSA-N 1 0 418.494 0.861 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC(=O)OC(C)(C)C)ccc2oc1=O ZINC000609951956 1078569852 /nfs/dbraw/zinc/56/98/52/1078569852.db2.gz LRIGXYUZULTXSY-UHFFFAOYSA-N 1 0 406.439 0.553 20 0 HCADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)CC1 ZINC000609952776 1078569235 /nfs/dbraw/zinc/56/92/35/1078569235.db2.gz HAPOLZBWXIKPHV-UHFFFAOYSA-N 1 0 418.494 0.766 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000609953483 1078570297 /nfs/dbraw/zinc/57/02/97/1078570297.db2.gz VPFSMLWXLGDTEN-UHFFFAOYSA-N 1 0 404.467 0.376 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000609953511 1078570217 /nfs/dbraw/zinc/57/02/17/1078570217.db2.gz XNLYRMBSUYFBBJ-UHFFFAOYSA-N 1 0 418.494 0.305 20 0 HCADRO COC(=O)c1cc2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)ccc2o1 ZINC000609953842 1078570126 /nfs/dbraw/zinc/57/01/26/1078570126.db2.gz HKPQNTQNHUGJMQ-AWEZNQCLSA-N 1 0 416.434 0.614 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000609954158 1078571380 /nfs/dbraw/zinc/57/13/80/1078571380.db2.gz UFOGACGMHFVQMT-AWEZNQCLSA-N 1 0 410.858 0.521 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1Cl ZINC000609954160 1078571345 /nfs/dbraw/zinc/57/13/45/1078571345.db2.gz UFOGACGMHFVQMT-CQSZACIVSA-N 1 0 410.858 0.521 20 0 HCADRO COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000609954340 1078571139 /nfs/dbraw/zinc/57/11/39/1078571139.db2.gz ZALSUIDZKAZQIW-AWEZNQCLSA-N 1 0 404.467 0.328 20 0 HCADRO COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000609954341 1078571300 /nfs/dbraw/zinc/57/13/00/1078571300.db2.gz ZALSUIDZKAZQIW-CQSZACIVSA-N 1 0 404.467 0.328 20 0 HCADRO COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000609954629 1078570839 /nfs/dbraw/zinc/57/08/39/1078570839.db2.gz YZGKECHMKXLBOK-CYBMUJFWSA-N 1 0 404.467 0.248 20 0 HCADRO COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000609954630 1078570815 /nfs/dbraw/zinc/57/08/15/1078570815.db2.gz YZGKECHMKXLBOK-ZDUSSCGKSA-N 1 0 404.467 0.248 20 0 HCADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NCCSCCCO)CC1 ZINC000609954646 1078570725 /nfs/dbraw/zinc/57/07/25/1078570725.db2.gz BBJBXHUIKWIRLL-UHFFFAOYSA-N 1 0 422.551 0.635 20 0 HCADRO Cc1nnc2n1C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000609955611 1078572321 /nfs/dbraw/zinc/57/23/21/1078572321.db2.gz GPDLVONVDRWTQN-OAHLLOKOSA-N 1 0 400.483 0.844 20 0 HCADRO Cc1nnc2n1C[C@H](CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)CC2 ZINC000609955865 1078572190 /nfs/dbraw/zinc/57/21/90/1078572190.db2.gz NNJUNZQULCSIKA-HNNXBMFYSA-N 1 0 400.483 0.844 20 0 HCADRO Cc1nnc2n1C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)CC2 ZINC000609955866 1078572278 /nfs/dbraw/zinc/57/22/78/1078572278.db2.gz NNJUNZQULCSIKA-OAHLLOKOSA-N 1 0 400.483 0.844 20 0 HCADRO C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000609959429 1078575247 /nfs/dbraw/zinc/57/52/47/1078575247.db2.gz TWPSEAVXYBOQLW-AVNFZHSVSA-N 1 0 408.524 0.883 20 0 HCADRO C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000609959430 1078575286 /nfs/dbraw/zinc/57/52/86/1078575286.db2.gz TWPSEAVXYBOQLW-MUKSBBSRSA-N 1 0 408.524 0.883 20 0 HCADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000609959431 1078575105 /nfs/dbraw/zinc/57/51/05/1078575105.db2.gz TWPSEAVXYBOQLW-VSGRFQRGSA-N 1 0 408.524 0.883 20 0 HCADRO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000609959432 1078574996 /nfs/dbraw/zinc/57/49/96/1078574996.db2.gz TWPSEAVXYBOQLW-TXTZVMOISA-N 1 0 408.524 0.883 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(I)cn2)C1 ZINC000609963243 1078576262 /nfs/dbraw/zinc/57/62/62/1078576262.db2.gz LMTSQPZVRYDBCK-CYBMUJFWSA-N 1 0 406.268 0.961 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(I)cn2)C1 ZINC000609963244 1078576234 /nfs/dbraw/zinc/57/62/34/1078576234.db2.gz LMTSQPZVRYDBCK-ZDUSSCGKSA-N 1 0 406.268 0.961 20 0 HCADRO COC(=O)C1CCN(S(=O)(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000610008674 1078591179 /nfs/dbraw/zinc/59/11/79/1078591179.db2.gz WIKMDZIIFNZZAP-CALCHBBNSA-N 1 0 416.588 0.607 20 0 HCADRO COC(=O)C1CCN(S(=O)(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000610008679 1078591154 /nfs/dbraw/zinc/59/11/54/1078591154.db2.gz WIKMDZIIFNZZAP-IAGOWNOFSA-N 1 0 416.588 0.607 20 0 HCADRO CCOC(=O)Cc1cccc(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000610027616 1078597918 /nfs/dbraw/zinc/59/79/18/1078597918.db2.gz AUVPCTWSWFGICG-UHFFFAOYSA-N 1 0 404.511 0.873 20 0 HCADRO CCOC(=O)Cc1cccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000610027761 1078597997 /nfs/dbraw/zinc/59/79/97/1078597997.db2.gz HMSGTNOZWIGGLW-UHFFFAOYSA-N 1 0 404.511 0.873 20 0 HCADRO CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)c1 ZINC000610028101 1078597900 /nfs/dbraw/zinc/59/79/00/1078597900.db2.gz NQHAYYJCWWFQSN-MRXNPFEDSA-N 1 0 404.511 0.873 20 0 HCADRO CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000610028597 1078598561 /nfs/dbraw/zinc/59/85/61/1078598561.db2.gz DZYGPOHAKQSXFS-IBGZPJMESA-N 1 0 416.522 0.969 20 0 HCADRO CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000610028598 1078598337 /nfs/dbraw/zinc/59/83/37/1078598337.db2.gz DZYGPOHAKQSXFS-LJQANCHMSA-N 1 0 416.522 0.969 20 0 HCADRO CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000610028709 1078599198 /nfs/dbraw/zinc/59/91/98/1078599198.db2.gz KJHUWXIFYQPBAP-GOSISDBHSA-N 1 0 405.495 0.940 20 0 HCADRO CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000610028710 1078599182 /nfs/dbraw/zinc/59/91/82/1078599182.db2.gz KJHUWXIFYQPBAP-SFHVURJKSA-N 1 0 405.495 0.940 20 0 HCADRO CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000610029072 1078599658 /nfs/dbraw/zinc/59/96/58/1078599658.db2.gz UFYASXGFJOVEMT-IBGZPJMESA-N 1 0 416.522 0.969 20 0 HCADRO CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000610029074 1078599552 /nfs/dbraw/zinc/59/95/52/1078599552.db2.gz UFYASXGFJOVEMT-LJQANCHMSA-N 1 0 416.522 0.969 20 0 HCADRO CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000610031818 1078600226 /nfs/dbraw/zinc/60/02/26/1078600226.db2.gz GMDRFIPYSGVXJI-GOSISDBHSA-N 1 0 410.496 0.325 20 0 HCADRO CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000610031820 1078600260 /nfs/dbraw/zinc/60/02/60/1078600260.db2.gz GMDRFIPYSGVXJI-SFHVURJKSA-N 1 0 410.496 0.325 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)CSC)cc2)CC1 ZINC000610032268 1078602281 /nfs/dbraw/zinc/60/22/81/1078602281.db2.gz WMPNDLUUHXSSHF-FQEVSTJZSA-N 1 0 408.568 0.993 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)CSC)cc2)CC1 ZINC000610032270 1078602326 /nfs/dbraw/zinc/60/23/26/1078602326.db2.gz WMPNDLUUHXSSHF-HXUWFJFHSA-N 1 0 408.568 0.993 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(OC)c(C(=O)OC)c3)C2)CC1 ZINC000610084349 1078619817 /nfs/dbraw/zinc/61/98/17/1078619817.db2.gz BJYJCXDGHLZBIW-HNNXBMFYSA-N 1 0 411.524 0.882 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(OC)c(C(=O)OC)c3)C2)CC1 ZINC000610084353 1078619744 /nfs/dbraw/zinc/61/97/44/1078619744.db2.gz BJYJCXDGHLZBIW-OAHLLOKOSA-N 1 0 411.524 0.882 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1OC ZINC000610085075 1078619857 /nfs/dbraw/zinc/61/98/57/1078619857.db2.gz YFUBDOQKEFROTQ-CYBMUJFWSA-N 1 0 413.496 0.348 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1OC ZINC000610085079 1078619699 /nfs/dbraw/zinc/61/96/99/1078619699.db2.gz YFUBDOQKEFROTQ-ZDUSSCGKSA-N 1 0 413.496 0.348 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1OC ZINC000610085491 1078620538 /nfs/dbraw/zinc/62/05/38/1078620538.db2.gz TZRVGMYMOWGFQR-HNNXBMFYSA-N 1 0 411.524 0.882 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1OC ZINC000610085492 1078620480 /nfs/dbraw/zinc/62/04/80/1078620480.db2.gz TZRVGMYMOWGFQR-OAHLLOKOSA-N 1 0 411.524 0.882 20 0 HCADRO CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000610103048 1078629402 /nfs/dbraw/zinc/62/94/02/1078629402.db2.gz MRRWXJVRJFLGKE-INIZCTEOSA-N 1 0 404.511 0.730 20 0 HCADRO CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000610103049 1078629116 /nfs/dbraw/zinc/62/91/16/1078629116.db2.gz MRRWXJVRJFLGKE-MRXNPFEDSA-N 1 0 404.511 0.730 20 0 HCADRO CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000610103115 1078629876 /nfs/dbraw/zinc/62/98/76/1078629876.db2.gz RRHDDUYTRBMNJK-UHFFFAOYSA-N 1 0 418.494 0.718 20 0 HCADRO COC(=O)COc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000610103149 1078629783 /nfs/dbraw/zinc/62/97/83/1078629783.db2.gz VFMAYSUFXRQDDU-HNNXBMFYSA-N 1 0 406.483 0.177 20 0 HCADRO COC(=O)COc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000610103150 1078629847 /nfs/dbraw/zinc/62/98/47/1078629847.db2.gz VFMAYSUFXRQDDU-OAHLLOKOSA-N 1 0 406.483 0.177 20 0 HCADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000610114307 1078625310 /nfs/dbraw/zinc/62/53/10/1078625310.db2.gz FCOVWIVAIGLFKO-UHFFFAOYSA-N 1 0 405.543 0.936 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000610115945 1078625677 /nfs/dbraw/zinc/62/56/77/1078625677.db2.gz JKWPSTAAMDHPAM-UHFFFAOYSA-N 1 0 406.483 0.900 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000610115974 1078625736 /nfs/dbraw/zinc/62/57/36/1078625736.db2.gz SIEUIVFSDFYLGZ-INIZCTEOSA-N 1 0 419.526 0.985 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000610115975 1078626023 /nfs/dbraw/zinc/62/60/23/1078626023.db2.gz SIEUIVFSDFYLGZ-MRXNPFEDSA-N 1 0 419.526 0.985 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)C1 ZINC000610116000 1078625782 /nfs/dbraw/zinc/62/57/82/1078625782.db2.gz ARRIARCNLQVFRF-INIZCTEOSA-N 1 0 418.494 0.849 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)C1 ZINC000610116001 1078625874 /nfs/dbraw/zinc/62/58/74/1078625874.db2.gz ARRIARCNLQVFRF-MRXNPFEDSA-N 1 0 418.494 0.849 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000610116161 1078626499 /nfs/dbraw/zinc/62/64/99/1078626499.db2.gz MCFPGJNEHJNOQP-UHFFFAOYSA-N 1 0 420.510 0.829 20 0 HCADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CC1 ZINC000610116228 1078626533 /nfs/dbraw/zinc/62/65/33/1078626533.db2.gz MWPGOONNGUZLMV-UHFFFAOYSA-N 1 0 418.494 0.447 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000610144659 1078631665 /nfs/dbraw/zinc/63/16/65/1078631665.db2.gz PPNURXQZUNMVAN-AEFFLSMTSA-N 1 0 422.551 0.596 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000610144660 1078631809 /nfs/dbraw/zinc/63/18/09/1078631809.db2.gz PPNURXQZUNMVAN-FUHWJXTLSA-N 1 0 422.551 0.596 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000610144661 1078631638 /nfs/dbraw/zinc/63/16/38/1078631638.db2.gz PPNURXQZUNMVAN-SJLPKXTDSA-N 1 0 422.551 0.596 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000610144662 1078631473 /nfs/dbraw/zinc/63/14/73/1078631473.db2.gz PPNURXQZUNMVAN-WMZOPIPTSA-N 1 0 422.551 0.596 20 0 HCADRO COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000610148327 1078633520 /nfs/dbraw/zinc/63/35/20/1078633520.db2.gz JBQMOJFHRXNDKZ-UHFFFAOYSA-N 1 0 418.494 0.585 20 0 HCADRO CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)ccc21 ZINC000610148452 1078633562 /nfs/dbraw/zinc/63/35/62/1078633562.db2.gz MTHXIBIWYLVROM-UHFFFAOYSA-N 1 0 416.478 0.716 20 0 HCADRO COC(=O)CSCc1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000610148460 1078633544 /nfs/dbraw/zinc/63/35/44/1078633544.db2.gz NFZRTXBNAXBVAR-UHFFFAOYSA-N 1 0 409.508 0.604 20 0 HCADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccccc2I)CC1 ZINC000610148547 1078633487 /nfs/dbraw/zinc/63/34/87/1078633487.db2.gz VXKGAWHRNMVWAW-UHFFFAOYSA-N 1 0 417.247 0.803 20 0 HCADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(I)c2)CC1 ZINC000610148568 1078633442 /nfs/dbraw/zinc/63/34/42/1078633442.db2.gz YQIAJFVCPDDTQX-UHFFFAOYSA-N 1 0 417.247 0.803 20 0 HCADRO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000610151403 1078639918 /nfs/dbraw/zinc/63/99/18/1078639918.db2.gz VSRURLJWRCWKTI-ZDUSSCGKSA-N 1 0 413.496 0.174 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncc(I)cn2)CC1 ZINC000613282439 1077275977 /nfs/dbraw/zinc/27/59/77/1077275977.db2.gz ZRDGHGSNPSLWRN-GFCCVEGCSA-N 1 0 401.252 1.000 20 0 HCADRO CN(C)S(=O)(=O)N1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000613401811 1077542814 /nfs/dbraw/zinc/54/28/14/1077542814.db2.gz RWQOXLVUQCOELG-UHFFFAOYSA-N 1 0 423.583 0.323 20 0 HCADRO Cc1ccc(NC(=O)CN2CCC([NH+](C)C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000613417407 1077573086 /nfs/dbraw/zinc/57/30/86/1077573086.db2.gz SZWCLGFTUXITOV-UHFFFAOYSA-N 1 0 424.567 0.980 20 0 HCADRO CSc1nc2nc(C)c(CC(=O)N3CCN(C(=O)C[NH+](C)C)CC3)c(C)n2n1 ZINC000613550597 1077905048 /nfs/dbraw/zinc/90/50/48/1077905048.db2.gz KZQDSUDBMRTIQP-UHFFFAOYSA-N 1 0 405.528 0.238 20 0 HCADRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000615157295 1078699529 /nfs/dbraw/zinc/69/95/29/1078699529.db2.gz GJOCNRXTHLYKRP-GOSISDBHSA-N 1 0 410.496 0.514 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000615188064 1078815991 /nfs/dbraw/zinc/81/59/91/1078815991.db2.gz ZGDPPJSTLAYSRO-CYBMUJFWSA-N 1 0 404.467 0.374 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000615188065 1078816097 /nfs/dbraw/zinc/81/60/97/1078816097.db2.gz ZGDPPJSTLAYSRO-ZDUSSCGKSA-N 1 0 404.467 0.374 20 0 HCADRO C[C@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cc2)C1 ZINC000615223374 1074171782 /nfs/dbraw/zinc/17/17/82/1074171782.db2.gz ITYXCLZWSNDEDX-HNNXBMFYSA-N 1 0 420.535 0.794 20 0 HCADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cc2)C1 ZINC000615223375 1074171654 /nfs/dbraw/zinc/17/16/54/1074171654.db2.gz ITYXCLZWSNDEDX-OAHLLOKOSA-N 1 0 420.535 0.794 20 0 HCADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000615224498 1074387505 /nfs/dbraw/zinc/38/75/05/1074387505.db2.gz AXFIKCDBHRLTSG-HNNXBMFYSA-N 1 0 420.535 0.937 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000615224503 1074390320 /nfs/dbraw/zinc/39/03/20/1074390320.db2.gz AXFIKCDBHRLTSG-OAHLLOKOSA-N 1 0 420.535 0.937 20 0 HCADRO O=C(NCC[NH+]1CCCCC1)c1cc(S(=O)(=O)NCCN2CCCCC2)c[nH]1 ZINC000615226297 1078181015 /nfs/dbraw/zinc/18/10/15/1078181015.db2.gz HFYMCQGUOMRUPU-UHFFFAOYSA-N 1 0 411.572 0.995 20 0 HCADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000615231718 1078839964 /nfs/dbraw/zinc/83/99/64/1078839964.db2.gz RQRSAZBBALASLQ-HNNXBMFYSA-N 1 0 420.535 0.794 20 0 HCADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000615231719 1079202803 /nfs/dbraw/zinc/20/28/03/1079202803.db2.gz RQRSAZBBALASLQ-OAHLLOKOSA-N 1 0 420.535 0.794 20 0 HCADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000615233805 1078639847 /nfs/dbraw/zinc/63/98/47/1078639847.db2.gz ZCBYJRHBZADFND-HNNXBMFYSA-N 1 0 420.535 0.937 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000615233807 1078639821 /nfs/dbraw/zinc/63/98/21/1078639821.db2.gz ZCBYJRHBZADFND-OAHLLOKOSA-N 1 0 420.535 0.937 20 0 HCADRO COc1ccc(S(=O)(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1C(N)=O ZINC000615242325 1078642263 /nfs/dbraw/zinc/64/22/63/1078642263.db2.gz IOWMGILWVKVMDV-UHFFFAOYSA-N 1 0 419.507 0.419 20 0 HCADRO C[NH+]1CCN(c2cc(CNS(=O)(=O)c3ccccc3S(C)(=O)=O)ccn2)CC1 ZINC000615242576 1078642217 /nfs/dbraw/zinc/64/22/17/1078642217.db2.gz OEKMNEUINPMOBF-UHFFFAOYSA-N 1 0 424.548 0.715 20 0 HCADRO C[NH+]1CCN(c2cc(CNS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccn2)CC1 ZINC000615242592 1078642183 /nfs/dbraw/zinc/64/21/83/1078642183.db2.gz PKAOIMSWAYDWLQ-UHFFFAOYSA-N 1 0 402.480 0.894 20 0 HCADRO CCOC(=O)c1cc(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1C ZINC000615244341 1078642906 /nfs/dbraw/zinc/64/29/06/1078642906.db2.gz HOFRXPUSLDBCFS-KRWDZBQOSA-N 1 0 419.526 0.767 20 0 HCADRO CCOC(=O)c1cc(NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1C ZINC000615244342 1078643013 /nfs/dbraw/zinc/64/30/13/1078643013.db2.gz HOFRXPUSLDBCFS-QGZVFWFLSA-N 1 0 419.526 0.767 20 0 HCADRO CN(C(=O)C(=O)Nc1cccc([S@](C)=O)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615244387 1078641696 /nfs/dbraw/zinc/64/16/96/1078641696.db2.gz NSIAZGYIWPJKTJ-HPGBDJQBSA-N 1 0 406.552 0.989 20 0 HCADRO CN(C(=O)C(=O)Nc1cccc([S@@](C)=O)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615244388 1078641627 /nfs/dbraw/zinc/64/16/27/1078641627.db2.gz NSIAZGYIWPJKTJ-JYRCXFKTSA-N 1 0 406.552 0.989 20 0 HCADRO CN(C(=O)C(=O)Nc1cccc([S@](C)=O)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615244389 1078641740 /nfs/dbraw/zinc/64/17/40/1078641740.db2.gz NSIAZGYIWPJKTJ-UULLZXFKSA-N 1 0 406.552 0.989 20 0 HCADRO CN(C(=O)C(=O)Nc1cccc([S@@](C)=O)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615244390 1078641717 /nfs/dbraw/zinc/64/17/17/1078641717.db2.gz NSIAZGYIWPJKTJ-YMGMXPECSA-N 1 0 406.552 0.989 20 0 HCADRO COC(=O)Cc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615244404 1078641583 /nfs/dbraw/zinc/64/15/83/1078641583.db2.gz POWXDMCUFQODPW-GOSISDBHSA-N 1 0 416.522 0.968 20 0 HCADRO 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CCOC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1C ZINC000615310975 1078653842 /nfs/dbraw/zinc/65/38/42/1078653842.db2.gz DFAHCQBVOKROGX-CQSZACIVSA-N 1 0 405.499 0.425 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000615311059 1078653825 /nfs/dbraw/zinc/65/38/25/1078653825.db2.gz FXUQMJQCWHHBCX-AWEZNQCLSA-N 1 0 406.458 0.836 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000615311062 1078653860 /nfs/dbraw/zinc/65/38/60/1078653860.db2.gz FXUQMJQCWHHBCX-CQSZACIVSA-N 1 0 406.458 0.836 20 0 HCADRO COC(=O)c1c(F)cccc1NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615311082 1078653773 /nfs/dbraw/zinc/65/37/73/1078653773.db2.gz GSKKUWJZXAIROT-CYBMUJFWSA-N 1 0 406.458 0.836 20 0 HCADRO COC(=O)c1c(F)cccc1NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615311085 1078653795 /nfs/dbraw/zinc/65/37/95/1078653795.db2.gz GSKKUWJZXAIROT-ZDUSSCGKSA-N 1 0 406.458 0.836 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)cc1F ZINC000615311097 1078653498 /nfs/dbraw/zinc/65/34/98/1078653498.db2.gz HDURBFHGWCQVEL-GFCCVEGCSA-N 1 0 424.448 0.975 20 0 HCADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)cc1F ZINC000615311099 1078653699 /nfs/dbraw/zinc/65/36/99/1078653699.db2.gz HDURBFHGWCQVEL-LBPRGKRZSA-N 1 0 424.448 0.975 20 0 HCADRO COC(=O)c1ccc(F)c(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000615311480 1078655810 /nfs/dbraw/zinc/65/58/10/1078655810.db2.gz KYNIACYVSQDZEG-AWEZNQCLSA-N 1 0 406.458 0.836 20 0 HCADRO COC(=O)c1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000615311481 1078655621 /nfs/dbraw/zinc/65/56/21/1078655621.db2.gz KYNIACYVSQDZEG-CQSZACIVSA-N 1 0 406.458 0.836 20 0 HCADRO COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615311504 1078655895 /nfs/dbraw/zinc/65/58/95/1078655895.db2.gz MNIKFKDOBXSTSO-GFCCVEGCSA-N 1 0 424.448 0.975 20 0 HCADRO COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615311505 1078655700 /nfs/dbraw/zinc/65/57/00/1078655700.db2.gz MNIKFKDOBXSTSO-LBPRGKRZSA-N 1 0 424.448 0.975 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000615311557 1078655250 /nfs/dbraw/zinc/65/52/50/1078655250.db2.gz POLDYZKDSACMLZ-AWEZNQCLSA-N 1 0 406.458 0.836 20 0 HCADRO COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000615311559 1078655278 /nfs/dbraw/zinc/65/52/78/1078655278.db2.gz POLDYZKDSACMLZ-CQSZACIVSA-N 1 0 406.458 0.836 20 0 HCADRO COC(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615311622 1078653220 /nfs/dbraw/zinc/65/32/20/1078653220.db2.gz RFNSYDSCDMNICG-AWEZNQCLSA-N 1 0 406.458 0.836 20 0 HCADRO COC(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615311623 1078653116 /nfs/dbraw/zinc/65/31/16/1078653116.db2.gz RFNSYDSCDMNICG-CQSZACIVSA-N 1 0 406.458 0.836 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3ccc([S@@](C)=O)c(F)c3)C2)CC1 ZINC000615311816 1078655117 /nfs/dbraw/zinc/65/51/17/1078655117.db2.gz TYIWYYDXAMNLSB-GMYLUUGSSA-N 1 0 410.515 0.786 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)Nc3ccc([S@@](C)=O)c(F)c3)C2)CC1 ZINC000615311817 1078655298 /nfs/dbraw/zinc/65/52/98/1078655298.db2.gz TYIWYYDXAMNLSB-HJFSHJIFSA-N 1 0 410.515 0.786 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)Nc3ccc([S@](C)=O)c(F)c3)C2)CC1 ZINC000615311818 1078654580 /nfs/dbraw/zinc/65/45/80/1078654580.db2.gz TYIWYYDXAMNLSB-POXGOYDTSA-N 1 0 410.515 0.786 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3ccc([S@](C)=O)c(F)c3)C2)CC1 ZINC000615311819 1078654385 /nfs/dbraw/zinc/65/43/85/1078654385.db2.gz TYIWYYDXAMNLSB-SUMNFNSASA-N 1 0 410.515 0.786 20 0 HCADRO COC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000615311820 1078654567 /nfs/dbraw/zinc/65/45/67/1078654567.db2.gz UAGHIHOXGHLBRO-KRWDZBQOSA-N 1 0 402.495 0.625 20 0 HCADRO 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HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000615422977 1078666324 /nfs/dbraw/zinc/66/63/24/1078666324.db2.gz XYAWACPSWOQIML-QGZVFWFLSA-N 1 0 418.494 0.446 20 0 HCADRO COC(=O)c1ccc(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(OC)c1 ZINC000615451507 1078670172 /nfs/dbraw/zinc/67/01/72/1078670172.db2.gz ZHNSNHCWKDLKAC-INIZCTEOSA-N 1 0 411.524 0.882 20 0 HCADRO COC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(OC)c1 ZINC000615451508 1078670094 /nfs/dbraw/zinc/67/00/94/1078670094.db2.gz ZHNSNHCWKDLKAC-MRXNPFEDSA-N 1 0 411.524 0.882 20 0 HCADRO Cc1ccccc1[C@H](C)[N@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000615462860 1078671925 /nfs/dbraw/zinc/67/19/25/1078671925.db2.gz HDCIQQBSKKDFIK-IBGZPJMESA-N 1 0 402.539 0.991 20 0 HCADRO Cc1ccccc1[C@@H](C)[N@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000615462862 1078671812 /nfs/dbraw/zinc/67/18/12/1078671812.db2.gz HDCIQQBSKKDFIK-LJQANCHMSA-N 1 0 402.539 0.991 20 0 HCADRO CCn1c2ccc(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc2[nH]c(=O)c1=O ZINC000615614153 1078675830 /nfs/dbraw/zinc/67/58/30/1078675830.db2.gz AETPSFGIGBJOLE-UHFFFAOYSA-N 1 0 422.489 0.787 20 0 HCADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000615614435 1078675845 /nfs/dbraw/zinc/67/58/45/1078675845.db2.gz JSUFZMZMGMPMSY-AWEZNQCLSA-N 1 0 407.471 0.249 20 0 HCADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000615614438 1078675815 /nfs/dbraw/zinc/67/58/15/1078675815.db2.gz JSUFZMZMGMPMSY-CQSZACIVSA-N 1 0 407.471 0.249 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)ccn2)CC1 ZINC000615614794 1078675889 /nfs/dbraw/zinc/67/58/89/1078675889.db2.gz OSWWAKYNKKBFFR-UHFFFAOYSA-N 1 0 422.489 0.815 20 0 HCADRO CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000615616560 1078676314 /nfs/dbraw/zinc/67/63/14/1078676314.db2.gz WTFVCQKTCBUWJI-UHFFFAOYSA-N 1 0 406.512 0.342 20 0 HCADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615623589 1078678294 /nfs/dbraw/zinc/67/82/94/1078678294.db2.gz NUMRVCNAWHDEEB-HNNXBMFYSA-N 1 0 420.514 0.162 20 0 HCADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615623590 1078678266 /nfs/dbraw/zinc/67/82/66/1078678266.db2.gz NUMRVCNAWHDEEB-OAHLLOKOSA-N 1 0 420.514 0.162 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(S(N)(=O)=O)cn3C)cn2)CC1 ZINC000615624295 1078678309 /nfs/dbraw/zinc/67/83/09/1078678309.db2.gz HZBDCAZGYJWVKO-UHFFFAOYSA-N 1 0 406.512 0.139 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3c4ccccc4c(=O)[nH]c3=O)cn2)CC1 ZINC000615624700 1078678253 /nfs/dbraw/zinc/67/82/53/1078678253.db2.gz PYJAXVHDWWJCHD-UHFFFAOYSA-N 1 0 422.489 0.955 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)cn2)CC1 ZINC000615626709 1078678286 /nfs/dbraw/zinc/67/82/86/1078678286.db2.gz XBLGIETVEZMFHV-UHFFFAOYSA-N 1 0 420.539 0.732 20 0 HCADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000615659451 1078682555 /nfs/dbraw/zinc/68/25/55/1078682555.db2.gz XCFJWCVFAYCHPQ-UHFFFAOYSA-N 1 0 413.522 0.932 20 0 HCADRO CC1CC[NH+](CCNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 ZINC000615672015 1078683146 /nfs/dbraw/zinc/68/31/46/1078683146.db2.gz DZUKBDMJJBPMRR-UHFFFAOYSA-N 1 0 407.559 0.864 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)C1 ZINC000615672046 1078682958 /nfs/dbraw/zinc/68/29/58/1078682958.db2.gz GPXKHUMUQVBZEG-INIZCTEOSA-N 1 0 407.559 0.864 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)C1 ZINC000615672047 1078683037 /nfs/dbraw/zinc/68/30/37/1078683037.db2.gz GPXKHUMUQVBZEG-MRXNPFEDSA-N 1 0 407.559 0.864 20 0 HCADRO CN(CC(=O)NCc1cccc(OCC[NH+](C)C)c1)S(=O)(=O)c1cccnc1 ZINC000615700285 1078685452 /nfs/dbraw/zinc/68/54/52/1078685452.db2.gz CJQACFKBGOLIDF-UHFFFAOYSA-N 1 0 406.508 0.959 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC000615701215 1078685493 /nfs/dbraw/zinc/68/54/93/1078685493.db2.gz JFGFBWAPYGRRNG-DLBZAZTESA-N 1 0 423.535 0.279 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC000615701216 1078685474 /nfs/dbraw/zinc/68/54/74/1078685474.db2.gz JFGFBWAPYGRRNG-IAGOWNOFSA-N 1 0 423.535 0.279 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 ZINC000615701217 1078685526 /nfs/dbraw/zinc/68/55/26/1078685526.db2.gz JFGFBWAPYGRRNG-IRXDYDNUSA-N 1 0 423.535 0.279 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 ZINC000615701218 1078685497 /nfs/dbraw/zinc/68/54/97/1078685497.db2.gz JFGFBWAPYGRRNG-SJORKVTESA-N 1 0 423.535 0.279 20 0 HCADRO CCN1CCN(CC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C(=O)C1=O ZINC000615707195 1078685996 /nfs/dbraw/zinc/68/59/96/1078685996.db2.gz MEDPESHIRUPENI-IBGZPJMESA-N 1 0 415.538 0.172 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000615724365 1078686894 /nfs/dbraw/zinc/68/68/94/1078686894.db2.gz DJNMTOPNIHVQOO-IBGZPJMESA-N 1 0 421.517 0.614 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000615724366 1078686758 /nfs/dbraw/zinc/68/67/58/1078686758.db2.gz DJNMTOPNIHVQOO-LJQANCHMSA-N 1 0 421.517 0.614 20 0 HCADRO CCN1CCN(CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C(=O)C1=O ZINC000615743477 1078688773 /nfs/dbraw/zinc/68/87/73/1078688773.db2.gz WSGPLTAOLFSKAL-UHFFFAOYSA-N 1 0 401.511 0.006 20 0 HCADRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000615751385 1078688998 /nfs/dbraw/zinc/68/89/98/1078688998.db2.gz BOTFOIXOXRHDIZ-UHFFFAOYSA-N 1 0 417.576 0.154 20 0 HCADRO O=C(CN1CCCS1(=O)=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000615757644 1078689209 /nfs/dbraw/zinc/68/92/09/1078689209.db2.gz MXUUCHVZQCOOKK-UHFFFAOYSA-N 1 0 408.568 0.736 20 0 HCADRO COC(=O)[C@](C)(CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000615793538 1078693153 /nfs/dbraw/zinc/69/31/53/1078693153.db2.gz PACINSPITOBKMP-DENIHFKCSA-N 1 0 418.538 0.823 20 0 HCADRO COC(=O)[C@@](C)(CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000615793539 1078693115 /nfs/dbraw/zinc/69/31/15/1078693115.db2.gz PACINSPITOBKMP-KNQAVFIVSA-N 1 0 418.538 0.823 20 0 HCADRO COC(=O)[C@](C)(CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000615793540 1078693132 /nfs/dbraw/zinc/69/31/32/1078693132.db2.gz PACINSPITOBKMP-SIKLNZKXSA-N 1 0 418.538 0.823 20 0 HCADRO COC(=O)[C@@](C)(CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000615793542 1078693171 /nfs/dbraw/zinc/69/31/71/1078693171.db2.gz PACINSPITOBKMP-UGKGYDQZSA-N 1 0 418.538 0.823 20 0 HCADRO CCN1CCN(CC(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C(=O)C1=O ZINC000615809777 1078694483 /nfs/dbraw/zinc/69/44/83/1078694483.db2.gz WZGVATNTELIYMU-KRWDZBQOSA-N 1 0 414.506 0.782 20 0 HCADRO CCN1CCN(CC(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C(=O)C1=O ZINC000615809778 1078694454 /nfs/dbraw/zinc/69/44/54/1078694454.db2.gz WZGVATNTELIYMU-QGZVFWFLSA-N 1 0 414.506 0.782 20 0 HCADRO Cn1ncc2c1ncn(CC(=O)NCCCC[NH+]1CCN(c3ccccc3)CC1)c2=O ZINC000615812411 1078696704 /nfs/dbraw/zinc/69/67/04/1078696704.db2.gz GTCHJBXJLBMYBP-UHFFFAOYSA-N 1 0 423.521 0.849 20 0 HCADRO CCN(CCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)S(C)(=O)=O ZINC000615827377 1079850971 /nfs/dbraw/zinc/85/09/71/1079850971.db2.gz JJHVJUPCGYIYCJ-UHFFFAOYSA-N 1 0 412.560 0.304 20 0 HCADRO Cn1c(=O)c2ccc(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)nc2n(C)c1=O ZINC000615834239 1078696258 /nfs/dbraw/zinc/69/62/58/1078696258.db2.gz LPQPWLFPFLDBIA-UHFFFAOYSA-N 1 0 408.462 0.422 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000615870128 1078702342 /nfs/dbraw/zinc/70/23/42/1078702342.db2.gz KFTRAALWIPDOEE-UHFFFAOYSA-N 1 0 423.583 0.356 20 0 HCADRO COC(=O)[C@@H](NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C)c1ccn(C)n1 ZINC000615903337 1078702555 /nfs/dbraw/zinc/70/25/55/1078702555.db2.gz SFKSNNUWQLUEAL-IBGZPJMESA-N 1 0 423.477 0.941 20 0 HCADRO COC(=O)[C@H](NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C)c1ccn(C)n1 ZINC000615903343 1078702603 /nfs/dbraw/zinc/70/26/03/1078702603.db2.gz SFKSNNUWQLUEAL-LJQANCHMSA-N 1 0 423.477 0.941 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC000615914918 1078703587 /nfs/dbraw/zinc/70/35/87/1078703587.db2.gz PGBCDTQWSGDKSQ-UHFFFAOYSA-N 1 0 410.540 0.427 20 0 HCADRO COC(=O)[C@@](C)(CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000615924197 1078706132 /nfs/dbraw/zinc/70/61/32/1078706132.db2.gz YDUWCWICYLTUAW-FQEVSTJZSA-N 1 0 401.467 0.630 20 0 HCADRO COC(=O)[C@](C)(CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000615924198 1078705915 /nfs/dbraw/zinc/70/59/15/1078705915.db2.gz YDUWCWICYLTUAW-HXUWFJFHSA-N 1 0 401.467 0.630 20 0 HCADRO NC(=O)NC[C@@H]1CCCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000616005186 1078709659 /nfs/dbraw/zinc/70/96/59/1078709659.db2.gz GQGOLFMXJJPCPJ-IBGZPJMESA-N 1 0 402.543 0.894 20 0 HCADRO NC(=O)NC[C@H]1CCCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000616005188 1080019247 /nfs/dbraw/zinc/01/92/47/1080019247.db2.gz GQGOLFMXJJPCPJ-LJQANCHMSA-N 1 0 402.543 0.894 20 0 HCADRO O=C(CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)NCC(F)(F)F ZINC000616005376 1078709704 /nfs/dbraw/zinc/70/97/04/1078709704.db2.gz IJZWQNNMDMMHND-UHFFFAOYSA-N 1 0 401.433 0.782 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000616013210 1078712457 /nfs/dbraw/zinc/71/24/57/1078712457.db2.gz RIULVMZHVGDBOF-GOSISDBHSA-N 1 0 404.559 0.877 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000616013219 1078712529 /nfs/dbraw/zinc/71/25/29/1078712529.db2.gz RIULVMZHVGDBOF-SFHVURJKSA-N 1 0 404.559 0.877 20 0 HCADRO O=C(CC[NH+]1CCC(c2nnc3n2CCC3)CC1)N1CCN(c2ncccn2)CC1 ZINC000616013537 1078712473 /nfs/dbraw/zinc/71/24/73/1078712473.db2.gz WMBKQGWHGHJRAA-UHFFFAOYSA-N 1 0 410.526 0.933 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000616013542 1078712427 /nfs/dbraw/zinc/71/24/27/1078712427.db2.gz WVUPVQHRUDBEOX-INIZCTEOSA-N 1 0 410.526 0.931 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000616013543 1078712544 /nfs/dbraw/zinc/71/25/44/1078712544.db2.gz WVUPVQHRUDBEOX-MRXNPFEDSA-N 1 0 410.526 0.931 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C1 ZINC000616015827 1080021664 /nfs/dbraw/zinc/02/16/64/1080021664.db2.gz RRCQKDSJDFSQNR-DLBZAZTESA-N 1 0 404.577 0.847 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C1 ZINC000616015828 1078712503 /nfs/dbraw/zinc/71/25/03/1078712503.db2.gz RRCQKDSJDFSQNR-IAGOWNOFSA-N 1 0 404.577 0.847 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C1 ZINC000616015829 1078712449 /nfs/dbraw/zinc/71/24/49/1078712449.db2.gz RRCQKDSJDFSQNR-IRXDYDNUSA-N 1 0 404.577 0.847 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C1 ZINC000616015830 1078712433 /nfs/dbraw/zinc/71/24/33/1078712433.db2.gz RRCQKDSJDFSQNR-SJORKVTESA-N 1 0 404.577 0.847 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)cn2)CC1 ZINC000616054288 1078714535 /nfs/dbraw/zinc/71/45/35/1078714535.db2.gz ANUCEJUJWLZAOJ-KRWDZBQOSA-N 1 0 424.571 0.304 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)cn2)CC1 ZINC000616054289 1080042342 /nfs/dbraw/zinc/04/23/42/1080042342.db2.gz ANUCEJUJWLZAOJ-QGZVFWFLSA-N 1 0 424.571 0.304 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C[C@H](C)O1 ZINC000616057027 1078714424 /nfs/dbraw/zinc/71/44/24/1078714424.db2.gz ZGKJDOAHLNAEOY-BBWFWOEESA-N 1 0 404.577 0.989 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C[C@@H](C)O1 ZINC000616057028 1078714574 /nfs/dbraw/zinc/71/45/74/1078714574.db2.gz ZGKJDOAHLNAEOY-BRWVUGGUSA-N 1 0 404.577 0.989 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C[C@H](C)O1 ZINC000616057029 1078714360 /nfs/dbraw/zinc/71/43/60/1078714360.db2.gz ZGKJDOAHLNAEOY-IXDOHACOSA-N 1 0 404.577 0.989 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C[C@@H](C)O1 ZINC000616057030 1078714398 /nfs/dbraw/zinc/71/43/98/1078714398.db2.gz ZGKJDOAHLNAEOY-ZACQAIPSSA-N 1 0 404.577 0.989 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1 ZINC000616058368 1078715011 /nfs/dbraw/zinc/71/50/11/1078715011.db2.gz GJNASELXGKCATF-UHFFFAOYSA-N 1 0 409.560 0.924 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000616058566 1078714445 /nfs/dbraw/zinc/71/44/45/1078714445.db2.gz LNMLBGOZBNUFFE-INIZCTEOSA-N 1 0 403.593 0.516 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000616058567 1078714973 /nfs/dbraw/zinc/71/49/73/1078714973.db2.gz LNMLBGOZBNUFFE-MRXNPFEDSA-N 1 0 403.593 0.516 20 0 HCADRO CN(C)C(=O)COc1cccc(CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000616058597 1080045394 /nfs/dbraw/zinc/04/53/94/1080045394.db2.gz NTPZBCGIRHFFCU-UHFFFAOYSA-N 1 0 405.543 0.979 20 0 HCADRO COc1ccc(C(=O)NCCNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000616059274 1078715040 /nfs/dbraw/zinc/71/50/40/1078715040.db2.gz DGAHNASYQLBIID-IBGZPJMESA-N 1 0 405.543 0.996 20 0 HCADRO COc1ccc(C(=O)NCCNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000616059275 1078714944 /nfs/dbraw/zinc/71/49/44/1078714944.db2.gz DGAHNASYQLBIID-LJQANCHMSA-N 1 0 405.543 0.996 20 0 HCADRO CC(C)[C@H](CNC(=O)NCCN1CCN(c2ncccn2)CC1)[NH+]1CCN(C)CC1 ZINC000616059454 1078715064 /nfs/dbraw/zinc/71/50/64/1078715064.db2.gz KFMGBYXFKQACHN-IBGZPJMESA-N 1 0 418.590 0.170 20 0 HCADRO CC(C)[C@@H](CNC(=O)NCCN1CCN(c2ncccn2)CC1)[NH+]1CCN(C)CC1 ZINC000616059455 1078714894 /nfs/dbraw/zinc/71/48/94/1078714894.db2.gz KFMGBYXFKQACHN-LJQANCHMSA-N 1 0 418.590 0.170 20 0 HCADRO CC(C)[C@H](CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[NH+]1CCN(C)CC1 ZINC000616059476 1078715114 /nfs/dbraw/zinc/71/51/14/1078715114.db2.gz LZTFTXRKVHKYAS-MSOLQXFVSA-N 1 0 417.620 0.762 20 0 HCADRO CC(C)[C@@H](CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[NH+]1CCN(C)CC1 ZINC000616059477 1080045907 /nfs/dbraw/zinc/04/59/07/1080045907.db2.gz LZTFTXRKVHKYAS-QZTJIDSGSA-N 1 0 417.620 0.762 20 0 HCADRO CC(C)[C@H](CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)[NH+]1CCN(C)CC1 ZINC000616059478 1080045969 /nfs/dbraw/zinc/04/59/69/1080045969.db2.gz LZTFTXRKVHKYAS-ROUUACIJSA-N 1 0 417.620 0.762 20 0 HCADRO CC(C)[C@@H](CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)[NH+]1CCN(C)CC1 ZINC000616059479 1080045747 /nfs/dbraw/zinc/04/57/47/1080045747.db2.gz LZTFTXRKVHKYAS-ZWKOTPCHSA-N 1 0 417.620 0.762 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000616063968 1078713928 /nfs/dbraw/zinc/71/39/28/1078713928.db2.gz ACWIWBKXRWPVSZ-KRWDZBQOSA-N 1 0 403.593 0.516 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000616063969 1078713816 /nfs/dbraw/zinc/71/38/16/1078713816.db2.gz ACWIWBKXRWPVSZ-QGZVFWFLSA-N 1 0 403.593 0.516 20 0 HCADRO O=C(NCCN1CCN(c2ncccn2)CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000616064036 1078715569 /nfs/dbraw/zinc/71/55/69/1078715569.db2.gz FHALTFYOWKSIFR-UHFFFAOYSA-N 1 0 424.553 0.957 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1 ZINC000616064364 1078717651 /nfs/dbraw/zinc/71/76/51/1078717651.db2.gz SZECLUIDMPNQQP-UHFFFAOYSA-N 1 0 409.560 0.924 20 0 HCADRO C[C@@H](CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C[NH+]1CCCC1 ZINC000616067165 1080051791 /nfs/dbraw/zinc/05/17/91/1080051791.db2.gz LDBYSKVXKRPNPP-INIZCTEOSA-N 1 0 401.511 0.790 20 0 HCADRO C[C@H](CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C[NH+]1CCCC1 ZINC000616067166 1078718155 /nfs/dbraw/zinc/71/81/55/1078718155.db2.gz LDBYSKVXKRPNPP-MRXNPFEDSA-N 1 0 401.511 0.790 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)ccn2)CC1 ZINC000616067352 1078718296 /nfs/dbraw/zinc/71/82/96/1078718296.db2.gz SJUZKGNJHQERLU-KRWDZBQOSA-N 1 0 424.571 0.304 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)ccn2)CC1 ZINC000616067353 1080051806 /nfs/dbraw/zinc/05/18/06/1080051806.db2.gz SJUZKGNJHQERLU-QGZVFWFLSA-N 1 0 424.571 0.304 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CNC(N)=O)C3)cn2)CC1 ZINC000616072826 1078718276 /nfs/dbraw/zinc/71/82/76/1078718276.db2.gz QXGAQDLCEWUPDW-KRWDZBQOSA-N 1 0 403.531 0.813 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](CNC(N)=O)C3)cn2)CC1 ZINC000616072829 1078718235 /nfs/dbraw/zinc/71/82/35/1078718235.db2.gz QXGAQDLCEWUPDW-QGZVFWFLSA-N 1 0 403.531 0.813 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC(=O)NCC(F)(F)F)cn2)CC1 ZINC000616073018 1078718187 /nfs/dbraw/zinc/71/81/87/1078718187.db2.gz UPILLXCMGRHLAQ-UHFFFAOYSA-N 1 0 402.421 0.701 20 0 HCADRO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000616082585 1080060900 /nfs/dbraw/zinc/06/09/00/1080060900.db2.gz CSOONIQJMVISTI-UHFFFAOYSA-N 1 0 405.503 0.261 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000616082726 1078716910 /nfs/dbraw/zinc/71/69/10/1078716910.db2.gz BLDROUVQJURIHV-KRWDZBQOSA-N 1 0 403.593 0.375 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000616082727 1078717145 /nfs/dbraw/zinc/71/71/45/1078717145.db2.gz BLDROUVQJURIHV-QGZVFWFLSA-N 1 0 403.593 0.375 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000616082799 1078716984 /nfs/dbraw/zinc/71/69/84/1078716984.db2.gz DQZGHJNQAWFRGH-UHFFFAOYSA-N 1 0 418.590 0.316 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000616083513 1078717055 /nfs/dbraw/zinc/71/70/55/1078717055.db2.gz VTRLELQNDJVSKC-GOSISDBHSA-N 1 0 417.620 0.908 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000616083514 1078717066 /nfs/dbraw/zinc/71/70/66/1078717066.db2.gz VTRLELQNDJVSKC-SFHVURJKSA-N 1 0 417.620 0.908 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)NCCS(=O)(=O)NC1CC1 ZINC000616099598 1078719174 /nfs/dbraw/zinc/71/91/74/1078719174.db2.gz CIMLQRCNRBBCDD-UHFFFAOYSA-N 1 0 423.583 0.970 20 0 HCADRO COCCNS(=O)(=O)c1ccc(CNC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000616109827 1078719889 /nfs/dbraw/zinc/71/98/89/1078719889.db2.gz RCESBNBRODTYEI-UHFFFAOYSA-N 1 0 410.540 0.849 20 0 HCADRO C[C@@H](CNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)C[NH+]1CCCC1 ZINC000616115553 1078720252 /nfs/dbraw/zinc/72/02/52/1078720252.db2.gz AMAOHKVTJJUCPG-INIZCTEOSA-N 1 0 409.556 0.898 20 0 HCADRO C[C@H](CNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)C[NH+]1CCCC1 ZINC000616115560 1078720325 /nfs/dbraw/zinc/72/03/25/1078720325.db2.gz AMAOHKVTJJUCPG-MRXNPFEDSA-N 1 0 409.556 0.898 20 0 HCADRO CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCN3CC[NH+](C)CC3)cc(C(C)C)nc21 ZINC000616120809 1078723160 /nfs/dbraw/zinc/72/31/60/1078723160.db2.gz XBHLTVPXRAXGAJ-UHFFFAOYSA-N 1 0 402.499 0.618 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000616128967 1078720693 /nfs/dbraw/zinc/72/06/93/1078720693.db2.gz NLYSKDMNOLTXTP-UHFFFAOYSA-N 1 0 402.543 0.898 20 0 HCADRO O=C(CN1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1)NC1CC1 ZINC000616129045 1078720739 /nfs/dbraw/zinc/72/07/39/1078720739.db2.gz PPYBZYXODWSHCG-UHFFFAOYSA-N 1 0 400.527 0.652 20 0 HCADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000616129058 1078720777 /nfs/dbraw/zinc/72/07/77/1078720777.db2.gz QCYYPBSKGYKQJA-UHFFFAOYSA-N 1 0 414.510 0.178 20 0 HCADRO O=C(NCCN1CCN(c2ncccn2)CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000616134964 1078721799 /nfs/dbraw/zinc/72/17/99/1078721799.db2.gz OIFZKFBGKFGLMU-UHFFFAOYSA-N 1 0 417.558 0.352 20 0 HCADRO CS(=O)(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000616140555 1078722689 /nfs/dbraw/zinc/72/26/89/1078722689.db2.gz XWGGADBTQLFBSL-UHFFFAOYSA-N 1 0 423.583 0.876 20 0 HCADRO C[NH+](C)CCCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000616178396 1078727328 /nfs/dbraw/zinc/72/73/28/1078727328.db2.gz DEMLZRNSXRRRPO-UHFFFAOYSA-N 1 0 422.551 0.818 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCC[NH+](C)C ZINC000616178400 1078727200 /nfs/dbraw/zinc/72/72/00/1078727200.db2.gz FIYRQDSDIBWDLJ-UHFFFAOYSA-N 1 0 410.540 0.674 20 0 HCADRO CC1(C)CC(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC(C)(C)[NH2+]1 ZINC000616178430 1078727374 /nfs/dbraw/zinc/72/73/74/1078727374.db2.gz KWBBDHOPDMKISR-UHFFFAOYSA-N 1 0 402.499 0.382 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc2O1 ZINC000616178493 1078727187 /nfs/dbraw/zinc/72/71/87/1078727187.db2.gz ZBKSQSWYCIKRGF-INIZCTEOSA-N 1 0 402.495 0.952 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc2O1 ZINC000616178494 1078727248 /nfs/dbraw/zinc/72/72/48/1078727248.db2.gz ZBKSQSWYCIKRGF-MRXNPFEDSA-N 1 0 402.495 0.952 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000616188332 1078727743 /nfs/dbraw/zinc/72/77/43/1078727743.db2.gz XLTVUXQBSRJBSV-UHFFFAOYSA-N 1 0 417.554 0.790 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c2ccccc2O1 ZINC000616192651 1078728294 /nfs/dbraw/zinc/72/82/94/1078728294.db2.gz JUDJSQWKPBJJJL-HKUYNNGSSA-N 1 0 410.474 0.946 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c2ccccc2O1 ZINC000616192652 1078728324 /nfs/dbraw/zinc/72/83/24/1078728324.db2.gz JUDJSQWKPBJJJL-IEBWSBKVSA-N 1 0 410.474 0.946 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c2ccccc2O1 ZINC000616192653 1078728244 /nfs/dbraw/zinc/72/82/44/1078728244.db2.gz JUDJSQWKPBJJJL-MJGOQNOKSA-N 1 0 410.474 0.946 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c2ccccc2O1 ZINC000616192654 1078728274 /nfs/dbraw/zinc/72/82/74/1078728274.db2.gz JUDJSQWKPBJJJL-PKOBYXMFSA-N 1 0 410.474 0.946 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)c1ccccc1 ZINC000616192912 1078728340 /nfs/dbraw/zinc/72/83/40/1078728340.db2.gz YZGIOCMBDLVCEM-KRWDZBQOSA-N 1 0 410.478 0.375 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)c1ccccc1 ZINC000616192913 1078728204 /nfs/dbraw/zinc/72/82/04/1078728204.db2.gz YZGIOCMBDLVCEM-QGZVFWFLSA-N 1 0 410.478 0.375 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCCCC1 ZINC000616198866 1080096138 /nfs/dbraw/zinc/09/61/38/1080096138.db2.gz HTZNRNGPVVTZGP-UHFFFAOYSA-N 1 0 402.499 0.337 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)c2ccccc2O1 ZINC000616198896 1078729905 /nfs/dbraw/zinc/72/99/05/1078729905.db2.gz JEKUDYZVCHHVQO-KRWDZBQOSA-N 1 0 402.495 0.907 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)c2ccccc2O1 ZINC000616198898 1078729723 /nfs/dbraw/zinc/72/97/23/1078729723.db2.gz JEKUDYZVCHHVQO-QGZVFWFLSA-N 1 0 402.495 0.907 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)[NH+]2CCCC2)cc1 ZINC000616199274 1080095993 /nfs/dbraw/zinc/09/59/93/1080095993.db2.gz SGJFGOYZWKJTMM-KRWDZBQOSA-N 1 0 414.466 0.269 20 0 HCADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)[NH+]2CCCC2)cc1 ZINC000616199277 1080095922 /nfs/dbraw/zinc/09/59/22/1080095922.db2.gz SGJFGOYZWKJTMM-QGZVFWFLSA-N 1 0 414.466 0.269 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)c1cccs1 ZINC000616205927 1078728762 /nfs/dbraw/zinc/72/87/62/1078728762.db2.gz WXBIJNXPULNXFK-AWEZNQCLSA-N 1 0 416.507 0.437 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)c1cccs1 ZINC000616205928 1078728715 /nfs/dbraw/zinc/72/87/15/1078728715.db2.gz WXBIJNXPULNXFK-CQSZACIVSA-N 1 0 416.507 0.437 20 0 HCADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000616212323 1078729310 /nfs/dbraw/zinc/72/93/10/1078729310.db2.gz IMMIZBRZXQHNQB-UHFFFAOYSA-N 1 0 400.476 0.761 20 0 HCADRO CC(C)(CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[NH+]1CCCCC1 ZINC000616212332 1078729253 /nfs/dbraw/zinc/72/92/53/1078729253.db2.gz JDBAXAKHLIQYKC-UHFFFAOYSA-N 1 0 402.499 0.337 20 0 HCADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc2)CC1 ZINC000616212340 1078729341 /nfs/dbraw/zinc/72/93/41/1078729341.db2.gz JQCALBUWMPUKIA-UHFFFAOYSA-N 1 0 403.527 0.398 20 0 HCADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000616212687 1078729301 /nfs/dbraw/zinc/72/93/01/1078729301.db2.gz XVKDLGQXZZQOJR-KRWDZBQOSA-N 1 0 418.494 0.096 20 0 HCADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000616212688 1078729195 /nfs/dbraw/zinc/72/91/95/1078729195.db2.gz XVKDLGQXZZQOJR-QGZVFWFLSA-N 1 0 418.494 0.096 20 0 HCADRO COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)[NH+]1CCCC1 ZINC000616217086 1078729381 /nfs/dbraw/zinc/72/93/81/1078729381.db2.gz GKJRTEDKHRIHFL-INIZCTEOSA-N 1 0 414.466 0.269 20 0 HCADRO COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)[NH+]1CCCC1 ZINC000616217087 1078729233 /nfs/dbraw/zinc/72/92/33/1078729233.db2.gz GKJRTEDKHRIHFL-MRXNPFEDSA-N 1 0 414.466 0.269 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[NH+](C)C)c1 ZINC000616221879 1078729399 /nfs/dbraw/zinc/72/93/99/1078729399.db2.gz OTVJBORXNOXQTA-INIZCTEOSA-N 1 0 420.491 0.851 20 0 HCADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[NH+](C)C)c1 ZINC000616221880 1078729780 /nfs/dbraw/zinc/72/97/80/1078729780.db2.gz OTVJBORXNOXQTA-MRXNPFEDSA-N 1 0 420.491 0.851 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)c1cccc(F)c1 ZINC000616221956 1078729883 /nfs/dbraw/zinc/72/98/83/1078729883.db2.gz QLVVRUPFYIHUKN-HNNXBMFYSA-N 1 0 408.455 0.982 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)c1cccc(F)c1 ZINC000616221957 1078729667 /nfs/dbraw/zinc/72/96/67/1078729667.db2.gz QLVVRUPFYIHUKN-OAHLLOKOSA-N 1 0 408.455 0.982 20 0 HCADRO COCCn1cc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000616223365 1078729707 /nfs/dbraw/zinc/72/97/07/1078729707.db2.gz LXYZJAPEMWOCKM-UHFFFAOYSA-N 1 0 414.510 0.402 20 0 HCADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000616226094 1078729838 /nfs/dbraw/zinc/72/98/38/1078729838.db2.gz LRXWIANNYOHOLL-INIZCTEOSA-N 1 0 402.476 0.814 20 0 HCADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000616226098 1078729688 /nfs/dbraw/zinc/72/96/88/1078729688.db2.gz LRXWIANNYOHOLL-MRXNPFEDSA-N 1 0 402.476 0.814 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)[NH+]2CCCC2)c1 ZINC000616230322 1078732276 /nfs/dbraw/zinc/73/22/76/1078732276.db2.gz XTZNMDOZBPUUHF-KRWDZBQOSA-N 1 0 414.466 0.269 20 0 HCADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)[NH+]2CCCC2)c1 ZINC000616230323 1078732403 /nfs/dbraw/zinc/73/24/03/1078732403.db2.gz XTZNMDOZBPUUHF-QGZVFWFLSA-N 1 0 414.466 0.269 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCCCCC1 ZINC000616243666 1078730824 /nfs/dbraw/zinc/73/08/24/1078730824.db2.gz CFNKWXDGXOZEHN-UHFFFAOYSA-N 1 0 416.526 0.727 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000616247287 1078731480 /nfs/dbraw/zinc/73/14/80/1078731480.db2.gz GSTKDWNZDMXGGV-HNNXBMFYSA-N 1 0 406.483 0.352 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000616247288 1078731170 /nfs/dbraw/zinc/73/11/70/1078731170.db2.gz GSTKDWNZDMXGGV-OAHLLOKOSA-N 1 0 406.483 0.352 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000616247353 1078731241 /nfs/dbraw/zinc/73/12/41/1078731241.db2.gz IVPSVVITEMPMTN-GOSISDBHSA-N 1 0 420.510 0.565 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000616247354 1078731328 /nfs/dbraw/zinc/73/13/28/1078731328.db2.gz IVPSVVITEMPMTN-SFHVURJKSA-N 1 0 420.510 0.565 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2Cn2cncn2)C1 ZINC000616247389 1078731407 /nfs/dbraw/zinc/73/14/07/1078731407.db2.gz KDPZMLKPDMVSBC-KRWDZBQOSA-N 1 0 400.483 0.738 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2Cn2cncn2)C1 ZINC000616247390 1078731430 /nfs/dbraw/zinc/73/14/30/1078731430.db2.gz KDPZMLKPDMVSBC-QGZVFWFLSA-N 1 0 400.483 0.738 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)C1 ZINC000616247600 1078731278 /nfs/dbraw/zinc/73/12/78/1078731278.db2.gz QFDYTODMHCOTDY-GOSISDBHSA-N 1 0 400.483 0.738 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)C1 ZINC000616247601 1078731452 /nfs/dbraw/zinc/73/14/52/1078731452.db2.gz QFDYTODMHCOTDY-SFHVURJKSA-N 1 0 400.483 0.738 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)c2ccccc2O1 ZINC000616258486 1078733269 /nfs/dbraw/zinc/73/32/69/1078733269.db2.gz UUDODODRQIFQKY-IBGZPJMESA-N 1 0 410.474 0.905 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)c2ccccc2O1 ZINC000616258487 1078733895 /nfs/dbraw/zinc/73/38/95/1078733895.db2.gz UUDODODRQIFQKY-LJQANCHMSA-N 1 0 410.474 0.905 20 0 HCADRO CC(C)(C)NC(=O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000616263684 1078734231 /nfs/dbraw/zinc/73/42/31/1078734231.db2.gz UYHLVQRRWOPRLO-UHFFFAOYSA-N 1 0 417.510 0.353 20 0 HCADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000616265445 1078734837 /nfs/dbraw/zinc/73/48/37/1078734837.db2.gz BRQZSBGQBRVGES-UHFFFAOYSA-N 1 0 412.487 0.906 20 0 HCADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCC2)c2ccccc2O1 ZINC000616265519 1078734274 /nfs/dbraw/zinc/73/42/74/1078734274.db2.gz JAFWEZXBUYHLSO-GOSISDBHSA-N 1 0 402.495 0.909 20 0 HCADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCC2)c2ccccc2O1 ZINC000616265520 1078734687 /nfs/dbraw/zinc/73/46/87/1078734687.db2.gz JAFWEZXBUYHLSO-SFHVURJKSA-N 1 0 402.495 0.909 20 0 HCADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCCC3)cc2)CC1 ZINC000616265553 1078734769 /nfs/dbraw/zinc/73/47/69/1078734769.db2.gz LDKXLJUDEOEJOE-UHFFFAOYSA-N 1 0 415.538 0.544 20 0 HCADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000616265708 1078734342 /nfs/dbraw/zinc/73/43/42/1078734342.db2.gz XXHSCFHHXUHSCW-UHFFFAOYSA-N 1 0 402.499 0.195 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c2ccccc2O1 ZINC000616266458 1078734859 /nfs/dbraw/zinc/73/48/59/1078734859.db2.gz ANBBKNGOTUFAHZ-GOSISDBHSA-N 1 0 402.495 0.765 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c2ccccc2O1 ZINC000616266459 1078734702 /nfs/dbraw/zinc/73/47/02/1078734702.db2.gz ANBBKNGOTUFAHZ-SFHVURJKSA-N 1 0 402.495 0.765 20 0 HCADRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)Cc1ccccc1 ZINC000616266888 1078734849 /nfs/dbraw/zinc/73/48/49/1078734849.db2.gz WHMQZFHCOINRJY-UHFFFAOYSA-N 1 0 424.505 0.595 20 0 HCADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)cc2)CC1 ZINC000616278840 1078732875 /nfs/dbraw/zinc/73/28/75/1078732875.db2.gz RBYZMCHSPBOHMX-UHFFFAOYSA-N 1 0 415.538 0.544 20 0 HCADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCCCC2)c2ccccc2O1 ZINC000616279653 1078733416 /nfs/dbraw/zinc/73/34/16/1078733416.db2.gz APDSJNPNKPBJEW-GOSISDBHSA-N 1 0 402.495 0.909 20 0 HCADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCCCC2)c2ccccc2O1 ZINC000616279654 1078733328 /nfs/dbraw/zinc/73/33/28/1078733328.db2.gz APDSJNPNKPBJEW-SFHVURJKSA-N 1 0 402.495 0.909 20 0 HCADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000616280036 1078733286 /nfs/dbraw/zinc/73/32/86/1078733286.db2.gz SWWMLFWOYGJQQN-UHFFFAOYSA-N 1 0 412.487 0.906 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(C(N)=O)ccc3F)cn2)CC1 ZINC000616307935 1078736793 /nfs/dbraw/zinc/73/67/93/1078736793.db2.gz GGIYNIQJSQAMPM-UHFFFAOYSA-N 1 0 414.441 0.326 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cccnc3-n3cccn3)cn2)CC1 ZINC000616308098 1078736726 /nfs/dbraw/zinc/73/67/26/1078736726.db2.gz SUNPXXYYZBCNKP-UHFFFAOYSA-N 1 0 420.477 0.669 20 0 HCADRO Cc1nn(C)c2ncc(NC(=O)C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cc12 ZINC000616308306 1078736870 /nfs/dbraw/zinc/73/68/70/1078736870.db2.gz HAPAEUYBBCYCQT-UHFFFAOYSA-N 1 0 422.493 0.678 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4cccn4)nc3)cn2)CC1 ZINC000616308360 1078737345 /nfs/dbraw/zinc/73/73/45/1078737345.db2.gz KOIHSXQRPTYJAV-UHFFFAOYSA-N 1 0 420.477 0.669 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C[C@H](C)O1 ZINC000616308796 1078737386 /nfs/dbraw/zinc/73/73/86/1078737386.db2.gz ATUPHZHGYPBXDD-HOTGVXAUSA-N 1 0 420.510 0.708 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C[C@@H](C)O1 ZINC000616308797 1078737482 /nfs/dbraw/zinc/73/74/82/1078737482.db2.gz ATUPHZHGYPBXDD-HZPDHXFCSA-N 1 0 420.510 0.708 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccccc2Cn2cncn2)C[C@H](C)O1 ZINC000616308975 1078737419 /nfs/dbraw/zinc/73/74/19/1078737419.db2.gz IARMMFPASUAYRL-HOTGVXAUSA-N 1 0 400.483 0.880 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccccc2Cn2cncn2)C[C@@H](C)O1 ZINC000616308976 1078737455 /nfs/dbraw/zinc/73/74/55/1078737455.db2.gz IARMMFPASUAYRL-HZPDHXFCSA-N 1 0 400.483 0.880 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2Cn2cncn2)C[C@H](C)O1 ZINC000616308977 1078737404 /nfs/dbraw/zinc/73/74/04/1078737404.db2.gz IARMMFPASUAYRL-IYBDPMFKSA-N 1 0 400.483 0.880 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)C[C@H](C)O1 ZINC000616309095 1078737445 /nfs/dbraw/zinc/73/74/45/1078737445.db2.gz MAPNFHKESCOHOC-HOTGVXAUSA-N 1 0 400.483 0.880 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)C[C@@H](C)O1 ZINC000616309096 1078737494 /nfs/dbraw/zinc/73/74/94/1078737494.db2.gz MAPNFHKESCOHOC-HZPDHXFCSA-N 1 0 400.483 0.880 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)C[C@H](C)O1 ZINC000616309097 1078737366 /nfs/dbraw/zinc/73/73/66/1078737366.db2.gz MAPNFHKESCOHOC-IYBDPMFKSA-N 1 0 400.483 0.880 20 0 HCADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[C@H](C)O1 ZINC000616309357 1078737952 /nfs/dbraw/zinc/73/79/52/1078737952.db2.gz SKXFOSSQTOQGCJ-GASCZTMLSA-N 1 0 406.483 0.495 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[C@H](C)O1 ZINC000616309358 1078738089 /nfs/dbraw/zinc/73/80/89/1078738089.db2.gz SKXFOSSQTOQGCJ-GJZGRUSLSA-N 1 0 406.483 0.495 20 0 HCADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[C@@H](C)O1 ZINC000616309359 1078737794 /nfs/dbraw/zinc/73/77/94/1078737794.db2.gz SKXFOSSQTOQGCJ-HUUCEWRRSA-N 1 0 406.483 0.495 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2O1 ZINC000616309422 1078737841 /nfs/dbraw/zinc/73/78/41/1078737841.db2.gz VCAZODAILQEMGU-DAYGRLMNSA-N 1 0 418.494 0.142 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccccc2O1 ZINC000616309423 1078738036 /nfs/dbraw/zinc/73/80/36/1078738036.db2.gz VCAZODAILQEMGU-MPGHIAIKSA-N 1 0 418.494 0.142 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc2O1 ZINC000616309424 1078738100 /nfs/dbraw/zinc/73/81/00/1078738100.db2.gz VCAZODAILQEMGU-RKVPGOIHSA-N 1 0 418.494 0.142 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2O1 ZINC000616309425 1078737814 /nfs/dbraw/zinc/73/78/14/1078737814.db2.gz VCAZODAILQEMGU-RVKKMQEKSA-N 1 0 418.494 0.142 20 0 HCADRO Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NCC(C)(C)N3CC[NH+](C)CC3)cn2)n1 ZINC000616313604 1078739203 /nfs/dbraw/zinc/73/92/03/1078739203.db2.gz ANPFODPWCNGDDQ-UHFFFAOYSA-N 1 0 413.526 0.965 20 0 HCADRO CNC(=O)c1cc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)ccc1Cl ZINC000616313735 1078739112 /nfs/dbraw/zinc/73/91/12/1078739112.db2.gz GTKKLVKZAVRGGB-UHFFFAOYSA-N 1 0 409.918 0.780 20 0 HCADRO CC(C)NC(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000616313756 1078739099 /nfs/dbraw/zinc/73/90/99/1078739099.db2.gz IIPZRSIYDGUNRW-UHFFFAOYSA-N 1 0 403.527 0.906 20 0 HCADRO COCCOCc1cccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000616313760 1078739221 /nfs/dbraw/zinc/73/92/21/1078739221.db2.gz ITNFOBOTTDUCQA-UHFFFAOYSA-N 1 0 406.527 0.930 20 0 HCADRO CNC(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1Cl ZINC000616313775 1078739018 /nfs/dbraw/zinc/73/90/18/1078739018.db2.gz KBGAJJYULLBGHO-UHFFFAOYSA-N 1 0 409.918 0.780 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000616313789 1078739139 /nfs/dbraw/zinc/73/91/39/1078739139.db2.gz LKCOTCOGFVPJKZ-UHFFFAOYSA-N 1 0 405.499 0.022 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000616313795 1078738937 /nfs/dbraw/zinc/73/89/37/1078738937.db2.gz LTQLPMNTSLSHPE-UHFFFAOYSA-N 1 0 415.538 0.890 20 0 HCADRO CN(C)C(=O)COc1cccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000616313860 1078738953 /nfs/dbraw/zinc/73/89/53/1078738953.db2.gz RIZRKDYQNNHINQ-UHFFFAOYSA-N 1 0 419.526 0.234 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000616313918 1078739174 /nfs/dbraw/zinc/73/91/74/1078739174.db2.gz XFSKEOMOGCFQPQ-UHFFFAOYSA-N 1 0 403.527 0.604 20 0 HCADRO CCCNC(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000616313965 1078739190 /nfs/dbraw/zinc/73/91/90/1078739190.db2.gz ZWDIWUCXYKSKQN-UHFFFAOYSA-N 1 0 403.527 0.907 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1OCCC(N)=O)N1CC[NH+](C)CC1 ZINC000616314989 1078739042 /nfs/dbraw/zinc/73/90/42/1078739042.db2.gz NZHYBGNAWMMGPA-KRWDZBQOSA-N 1 0 419.526 0.268 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1OCCC(N)=O)N1CC[NH+](C)CC1 ZINC000616314990 1078739000 /nfs/dbraw/zinc/73/90/00/1078739000.db2.gz NZHYBGNAWMMGPA-QGZVFWFLSA-N 1 0 419.526 0.268 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC000616315182 1078739126 /nfs/dbraw/zinc/73/91/26/1078739126.db2.gz YTWTXMFTMCODKO-FQEVSTJZSA-N 1 0 417.554 0.850 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC000616315183 1078738916 /nfs/dbraw/zinc/73/89/16/1078738916.db2.gz YTWTXMFTMCODKO-HXUWFJFHSA-N 1 0 417.554 0.850 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)N1CC[NH+](C)CC1 ZINC000616315186 1078739152 /nfs/dbraw/zinc/73/91/52/1078739152.db2.gz YWKPWQBHSFQZLI-IBGZPJMESA-N 1 0 413.526 0.653 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)N1CC[NH+](C)CC1 ZINC000616315187 1078739079 /nfs/dbraw/zinc/73/90/79/1078739079.db2.gz YWKPWQBHSFQZLI-LJQANCHMSA-N 1 0 413.526 0.653 20 0 HCADRO CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000616316082 1078739703 /nfs/dbraw/zinc/73/97/03/1078739703.db2.gz NVYSODXJBXRCBK-SFHVURJKSA-N 1 0 403.527 0.763 20 0 HCADRO Cc1nn(C)c2ncc(NC(=O)C(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)cc12 ZINC000616316127 1078739757 /nfs/dbraw/zinc/73/97/57/1078739757.db2.gz SHKSYFOKKSMARP-KRWDZBQOSA-N 1 0 401.515 0.603 20 0 HCADRO Cc1nn(C)c2ncc(NC(=O)C(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)cc12 ZINC000616316128 1078739596 /nfs/dbraw/zinc/73/95/96/1078739596.db2.gz SHKSYFOKKSMARP-QGZVFWFLSA-N 1 0 401.515 0.603 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)CC(C)C ZINC000616316155 1078738970 /nfs/dbraw/zinc/73/89/70/1078738970.db2.gz VDECXYYZLOGARD-KRWDZBQOSA-N 1 0 418.542 0.829 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)CC(C)C ZINC000616316156 1078739033 /nfs/dbraw/zinc/73/90/33/1078739033.db2.gz VDECXYYZLOGARD-QGZVFWFLSA-N 1 0 418.542 0.829 20 0 HCADRO CN(C(=O)Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1)c1ccccc1 ZINC000616327278 1078740151 /nfs/dbraw/zinc/74/01/51/1078740151.db2.gz ACZVWCLCTSVHEM-IBGZPJMESA-N 1 0 412.490 0.869 20 0 HCADRO CN(C(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1)c1ccccc1 ZINC000616327279 1078740202 /nfs/dbraw/zinc/74/02/02/1078740202.db2.gz ACZVWCLCTSVHEM-LJQANCHMSA-N 1 0 412.490 0.869 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000616327315 1078740113 /nfs/dbraw/zinc/74/01/13/1078740113.db2.gz CRCARZKVAHEWQW-KRWDZBQOSA-N 1 0 414.462 0.681 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000616327329 1078740133 /nfs/dbraw/zinc/74/01/33/1078740133.db2.gz DMMCMNZYTNEFDN-INIZCTEOSA-N 1 0 415.446 0.972 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000616327330 1078740146 /nfs/dbraw/zinc/74/01/46/1078740146.db2.gz DMMCMNZYTNEFDN-MRXNPFEDSA-N 1 0 415.446 0.972 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000616327393 1078740175 /nfs/dbraw/zinc/74/01/75/1078740175.db2.gz HNXFFCUJKHIZQM-GFCCVEGCSA-N 1 0 410.272 0.612 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000616327394 1078740167 /nfs/dbraw/zinc/74/01/67/1078740167.db2.gz HNXFFCUJKHIZQM-LBPRGKRZSA-N 1 0 410.272 0.612 20 0 HCADRO Cc1c(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cccc1-c1nnc2n1CCCCC2 ZINC000616327395 1078740473 /nfs/dbraw/zinc/74/04/73/1078740473.db2.gz HOFPYPJNRGCAAQ-HNNXBMFYSA-N 1 0 414.510 0.957 20 0 HCADRO Cc1c(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cccc1-c1nnc2n1CCCCC2 ZINC000616327396 1078740533 /nfs/dbraw/zinc/74/05/33/1078740533.db2.gz HOFPYPJNRGCAAQ-OAHLLOKOSA-N 1 0 414.510 0.957 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000616327408 1078740605 /nfs/dbraw/zinc/74/06/05/1078740605.db2.gz JDONBVBZGFHCQN-HNNXBMFYSA-N 1 0 403.508 0.683 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000616327409 1078740480 /nfs/dbraw/zinc/74/04/80/1078740480.db2.gz JDONBVBZGFHCQN-OAHLLOKOSA-N 1 0 403.508 0.683 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000616327429 1078740582 /nfs/dbraw/zinc/74/05/82/1078740582.db2.gz KKBHMTLDENZTGG-INIZCTEOSA-N 1 0 416.453 0.984 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000616327430 1078740597 /nfs/dbraw/zinc/74/05/97/1078740597.db2.gz KKBHMTLDENZTGG-MRXNPFEDSA-N 1 0 416.453 0.984 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000616327473 1078740524 /nfs/dbraw/zinc/74/05/24/1078740524.db2.gz NLGTZXUVPQGXGC-SFHVURJKSA-N 1 0 416.453 0.733 20 0 HCADRO Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000616327487 1078740458 /nfs/dbraw/zinc/74/04/58/1078740458.db2.gz OHCKTNNQFWEDPE-AWEZNQCLSA-N 1 0 414.528 0.001 20 0 HCADRO Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000616327488 1078740590 /nfs/dbraw/zinc/74/05/90/1078740590.db2.gz OHCKTNNQFWEDPE-CQSZACIVSA-N 1 0 414.528 0.001 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000616327493 1078740425 /nfs/dbraw/zinc/74/04/25/1078740425.db2.gz OVZBPWHJYXLTSS-KRWDZBQOSA-N 1 0 416.453 0.733 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000616327494 1078740464 /nfs/dbraw/zinc/74/04/64/1078740464.db2.gz OVZBPWHJYXLTSS-QGZVFWFLSA-N 1 0 416.453 0.733 20 0 HCADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1 ZINC000616335079 1078740959 /nfs/dbraw/zinc/74/09/59/1078740959.db2.gz BXCODKBIXWGUFB-HNNXBMFYSA-N 1 0 412.494 0.998 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1 ZINC000616335082 1078741075 /nfs/dbraw/zinc/74/10/75/1078741075.db2.gz BXCODKBIXWGUFB-OAHLLOKOSA-N 1 0 412.494 0.998 20 0 HCADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000616335353 1078741119 /nfs/dbraw/zinc/74/11/19/1078741119.db2.gz HVIUQVCYPFXSAK-HNNXBMFYSA-N 1 0 412.494 0.998 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000616335354 1078741579 /nfs/dbraw/zinc/74/15/79/1078741579.db2.gz HVIUQVCYPFXSAK-OAHLLOKOSA-N 1 0 412.494 0.998 20 0 HCADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)Nc3cnn(CC(N)=O)c3)cc2)C1 ZINC000616337084 1078741542 /nfs/dbraw/zinc/74/15/42/1078741542.db2.gz ASGLZWJMZJSYBE-HNNXBMFYSA-N 1 0 412.494 0.855 20 0 HCADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)Nc3cnn(CC(N)=O)c3)cc2)C1 ZINC000616337085 1078741624 /nfs/dbraw/zinc/74/16/24/1078741624.db2.gz ASGLZWJMZJSYBE-OAHLLOKOSA-N 1 0 412.494 0.855 20 0 HCADRO Cc1nn(C)c2ncc(NC(=O)C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc12 ZINC000616342934 1078742056 /nfs/dbraw/zinc/74/20/56/1078742056.db2.gz MVZPLPQHIZWVKS-UHFFFAOYSA-N 1 0 422.493 0.678 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)Nc3cccnc3-n3cccn3)ccn2)CC1 ZINC000616342975 1078742130 /nfs/dbraw/zinc/74/21/30/1078742130.db2.gz PIGDPQZWNAHTDC-UHFFFAOYSA-N 1 0 420.477 0.669 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cnn(CCOC)c3)cn2)CC1 ZINC000616357259 1078743681 /nfs/dbraw/zinc/74/36/81/1078743681.db2.gz LQJVCHKFKDRZJK-UHFFFAOYSA-N 1 0 415.498 0.321 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(N(C)C)nc3)cn2)CC1 ZINC000616357302 1078743636 /nfs/dbraw/zinc/74/36/36/1078743636.db2.gz PWFFEWGNWCNFLY-UHFFFAOYSA-N 1 0 411.510 0.939 20 0 HCADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)c2ccccc2O1 ZINC000616363685 1078743759 /nfs/dbraw/zinc/74/37/59/1078743759.db2.gz FNIMINJQNIHHLO-MAUKXSAKSA-N 1 0 402.495 0.907 20 0 HCADRO Cc1nn(C)c2ncc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)cc12 ZINC000616367639 1078744263 /nfs/dbraw/zinc/74/42/63/1078744263.db2.gz CDZXNIGOUODUAD-GOSISDBHSA-N 1 0 422.489 0.751 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000616368128 1078744232 /nfs/dbraw/zinc/74/42/32/1078744232.db2.gz MTJLXTXXUKCREB-INIZCTEOSA-N 1 0 419.526 0.234 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000616368129 1078744290 /nfs/dbraw/zinc/74/42/90/1078744290.db2.gz MTJLXTXXUKCREB-MRXNPFEDSA-N 1 0 419.526 0.234 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[N@@H+]1CCCC[C@H]1C ZINC000616371206 1078744177 /nfs/dbraw/zinc/74/41/77/1078744177.db2.gz YNWBNVMLQIZPHN-CABCVRRESA-N 1 0 402.499 0.335 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[N@@H+]1CCCC[C@@H]1C ZINC000616371207 1078744318 /nfs/dbraw/zinc/74/43/18/1078744318.db2.gz YNWBNVMLQIZPHN-GJZGRUSLSA-N 1 0 402.499 0.335 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c2ccccc2O1 ZINC000616372008 1078744204 /nfs/dbraw/zinc/74/42/04/1078744204.db2.gz IZTGTGPINGASJZ-DAYGRLMNSA-N 1 0 402.495 0.763 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c2ccccc2O1 ZINC000616372076 1078744132 /nfs/dbraw/zinc/74/41/32/1078744132.db2.gz IZTGTGPINGASJZ-RKVPGOIHSA-N 1 0 402.495 0.763 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c2ccccc2O1 ZINC000616372077 1078744249 /nfs/dbraw/zinc/74/42/49/1078744249.db2.gz IZTGTGPINGASJZ-VKJFTORMSA-N 1 0 402.495 0.763 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000616372379 1078744773 /nfs/dbraw/zinc/74/47/73/1078744773.db2.gz RGURMVSECNYFJO-HUUCEWRRSA-N 1 0 402.499 0.193 20 0 HCADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000616373301 1078744861 /nfs/dbraw/zinc/74/48/61/1078744861.db2.gz RJUAHRZZBBHVAN-UHFFFAOYSA-N 1 0 417.554 0.788 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)CC1 ZINC000616374578 1078744643 /nfs/dbraw/zinc/74/46/43/1078744643.db2.gz FOHCHUJYLXDAJT-UHFFFAOYSA-N 1 0 403.527 0.907 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)CC1 ZINC000616374612 1078744679 /nfs/dbraw/zinc/74/46/79/1078744679.db2.gz GYVDAAIPLZYLJZ-UHFFFAOYSA-N 1 0 409.918 0.782 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1 ZINC000616374749 1078744717 /nfs/dbraw/zinc/74/47/17/1078744717.db2.gz SQLNDEOFLJBGTR-UHFFFAOYSA-N 1 0 421.929 0.924 20 0 HCADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000616376481 1078744759 /nfs/dbraw/zinc/74/47/59/1078744759.db2.gz ZFKQKMYCXULSJV-HZPDHXFCSA-N 1 0 416.526 0.441 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000616376482 1078744662 /nfs/dbraw/zinc/74/46/62/1078744662.db2.gz ZFKQKMYCXULSJV-IYBDPMFKSA-N 1 0 416.526 0.441 20 0 HCADRO C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000616378754 1078745271 /nfs/dbraw/zinc/74/52/71/1078745271.db2.gz 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SUQBMMPBSWKNDZ-UHFFFAOYSA-N 1 0 406.483 0.319 20 0 HCADRO COCC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000616472804 1078752390 /nfs/dbraw/zinc/75/23/90/1078752390.db2.gz YKXWEVZDRZESDC-UHFFFAOYSA-N 1 0 406.483 0.319 20 0 HCADRO COCC(=O)NC1CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)CC1 ZINC000616473516 1078752382 /nfs/dbraw/zinc/75/23/82/1078752382.db2.gz IFDFRZMTEXRATH-UHFFFAOYSA-N 1 0 406.483 0.449 20 0 HCADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000616491901 1078757336 /nfs/dbraw/zinc/75/73/36/1078757336.db2.gz LYMWSSDIIVHSSN-UHFFFAOYSA-N 1 0 418.542 0.783 20 0 HCADRO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000616512625 1078757360 /nfs/dbraw/zinc/75/73/60/1078757360.db2.gz BUZOFOWAXQFIBC-UHFFFAOYSA-N 1 0 403.527 0.825 20 0 HCADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000616594516 1078761618 /nfs/dbraw/zinc/76/16/18/1078761618.db2.gz RFAWJMYSEAEKSF-HNNXBMFYSA-N 1 0 411.524 0.991 20 0 HCADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000616594535 1078761458 /nfs/dbraw/zinc/76/14/58/1078761458.db2.gz RFAWJMYSEAEKSF-OAHLLOKOSA-N 1 0 411.524 0.991 20 0 HCADRO C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000616607786 1078761346 /nfs/dbraw/zinc/76/13/46/1078761346.db2.gz FPCHVUAUSSXDPL-BFYDXBDKSA-N 1 0 423.535 0.880 20 0 HCADRO C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000616607791 1078761505 /nfs/dbraw/zinc/76/15/05/1078761505.db2.gz FPCHVUAUSSXDPL-HLLBOEOZSA-N 1 0 423.535 0.880 20 0 HCADRO C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000616607793 1078761567 /nfs/dbraw/zinc/76/15/67/1078761567.db2.gz FPCHVUAUSSXDPL-INMHGKMJSA-N 1 0 423.535 0.880 20 0 HCADRO C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000616607796 1078761475 /nfs/dbraw/zinc/76/14/75/1078761475.db2.gz FPCHVUAUSSXDPL-UXLLHSPISA-N 1 0 423.535 0.880 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000616607977 1078761527 /nfs/dbraw/zinc/76/15/27/1078761527.db2.gz HNHSGBMZMHHFSZ-GOSISDBHSA-N 1 0 422.551 0.408 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000616607984 1078761379 /nfs/dbraw/zinc/76/13/79/1078761379.db2.gz HNHSGBMZMHHFSZ-SFHVURJKSA-N 1 0 422.551 0.408 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(C)=O)CC3)c(C)c2)CC1 ZINC000616641191 1078762164 /nfs/dbraw/zinc/76/21/64/1078762164.db2.gz JFFIUAMVXFEBIH-UHFFFAOYSA-N 1 0 401.511 0.766 20 0 HCADRO CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000616651340 1078762135 /nfs/dbraw/zinc/76/21/35/1078762135.db2.gz GIIPRLRHVOFQJJ-UHFFFAOYSA-N 1 0 415.494 0.013 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000616703268 1078766093 /nfs/dbraw/zinc/76/60/93/1078766093.db2.gz GDHMFBMWMPFYMW-UHFFFAOYSA-N 1 0 401.511 0.487 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)c(C)c2)CC1 ZINC000616703309 1078765949 /nfs/dbraw/zinc/76/59/49/1078765949.db2.gz HOWLHUSMPNFFLV-UHFFFAOYSA-N 1 0 401.511 0.799 20 0 HCADRO CCN1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC[NH+](CC)CC)c2)CC1 ZINC000616720851 1078763912 /nfs/dbraw/zinc/76/39/12/1078763912.db2.gz HDAYMKZEBIYXBC-UHFFFAOYSA-N 1 0 403.527 0.861 20 0 HCADRO CCN1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000616721043 1078763135 /nfs/dbraw/zinc/76/31/35/1078763135.db2.gz ZAVIERMAVHHDHH-UHFFFAOYSA-N 1 0 401.511 0.487 20 0 HCADRO CCCCN(CCO)C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000616736047 1078767540 /nfs/dbraw/zinc/76/75/40/1078767540.db2.gz UMPVECPHXYYGFB-UHFFFAOYSA-N 1 0 404.511 0.943 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000616778252 1078769588 /nfs/dbraw/zinc/76/95/88/1078769588.db2.gz ARXHKZUSERLGLE-GOSISDBHSA-N 1 0 418.494 0.415 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000616778253 1078769701 /nfs/dbraw/zinc/76/97/01/1078769701.db2.gz ARXHKZUSERLGLE-SFHVURJKSA-N 1 0 418.494 0.415 20 0 HCADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000616778805 1078770208 /nfs/dbraw/zinc/77/02/08/1078770208.db2.gz QNUSJVSDSJZWPN-SFHVURJKSA-N 1 0 418.494 0.545 20 0 HCADRO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000616832010 1078776344 /nfs/dbraw/zinc/77/63/44/1078776344.db2.gz HIEJYJWFLGJTRE-UHFFFAOYSA-N 1 0 422.551 0.659 20 0 HCADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000616832197 1078776307 /nfs/dbraw/zinc/77/63/07/1078776307.db2.gz IZIIDHJBYBCEPB-UHFFFAOYSA-N 1 0 412.498 0.149 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc(OC)c1OC ZINC000616832564 1078775809 /nfs/dbraw/zinc/77/58/09/1078775809.db2.gz OQAVLTIXRJLMIL-UHFFFAOYSA-N 1 0 420.510 0.891 20 0 HCADRO O=C(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000616833233 1078776870 /nfs/dbraw/zinc/77/68/70/1078776870.db2.gz BXXVTKPAUAPQFM-UHFFFAOYSA-N 1 0 413.522 0.757 20 0 HCADRO 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/nfs/dbraw/zinc/79/89/72/1078798972.db2.gz RYYABLNANVNMBB-UHFFFAOYSA-N 1 0 402.495 0.534 20 0 HCADRO Cn1cc(S(=O)(=O)NCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cn1 ZINC000617035087 1078800026 /nfs/dbraw/zinc/80/00/26/1078800026.db2.gz VRQUKYVIMQTJOP-UHFFFAOYSA-N 1 0 409.487 0.618 20 0 HCADRO CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cn1 ZINC000617045934 1078801527 /nfs/dbraw/zinc/80/15/27/1078801527.db2.gz XFLCISHTVGTBPD-HPGBDJQBSA-N 1 0 410.588 0.744 20 0 HCADRO CCn1cc([C@H]2C[S@](=O)CCN2C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cn1 ZINC000617045938 1078801432 /nfs/dbraw/zinc/80/14/32/1078801432.db2.gz XFLCISHTVGTBPD-JYRCXFKTSA-N 1 0 410.588 0.744 20 0 HCADRO CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cn1 ZINC000617045939 1078801511 /nfs/dbraw/zinc/80/15/11/1078801511.db2.gz XFLCISHTVGTBPD-UULLZXFKSA-N 1 0 410.588 0.744 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000617055565 1078802210 /nfs/dbraw/zinc/80/22/10/1078802210.db2.gz AKGHOYAUXPFYEA-UHFFFAOYSA-N 1 0 410.540 0.650 20 0 HCADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)NCC(C)(C)N1CC[NH+](C)CC1)OCO2 ZINC000617066867 1078802492 /nfs/dbraw/zinc/80/24/92/1078802492.db2.gz HMYLQPPILMIPFC-UHFFFAOYSA-N 1 0 420.466 0.283 20 0 HCADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CCN(c3cc[nH+]cc3)CC1)OCO2 ZINC000617070254 1078801187 /nfs/dbraw/zinc/80/11/87/1078801187.db2.gz YHSJCLWDFGLYBM-UHFFFAOYSA-N 1 0 412.402 0.884 20 0 HCADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)OCO2 ZINC000617086229 1078803449 /nfs/dbraw/zinc/80/34/49/1078803449.db2.gz QIAJXZROPFNEOS-UHFFFAOYSA-N 1 0 403.395 0.537 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000617092259 1078804218 /nfs/dbraw/zinc/80/42/18/1078804218.db2.gz AMVPYHDCVAEOMB-AWEZNQCLSA-N 1 0 408.524 0.866 20 0 HCADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000617110759 1078804565 /nfs/dbraw/zinc/80/45/65/1078804565.db2.gz GAWWHBRIYLKSOX-BBRMVZONSA-N 1 0 411.524 0.971 20 0 HCADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000617110760 1078804477 /nfs/dbraw/zinc/80/44/77/1078804477.db2.gz GAWWHBRIYLKSOX-XJKSGUPXSA-N 1 0 411.524 0.971 20 0 HCADRO C[NH+](C)CCOc1ccccc1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000617120838 1078805197 /nfs/dbraw/zinc/80/51/97/1078805197.db2.gz WRYKTCGHFIPIIL-UHFFFAOYSA-N 1 0 416.478 0.060 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000617161343 1078807461 /nfs/dbraw/zinc/80/74/61/1078807461.db2.gz VUTXDYKKUXYUMU-ZDUSSCGKSA-N 1 0 405.480 0.357 20 0 HCADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCCNc1cc[nH+]cc1 ZINC000617162118 1078807179 /nfs/dbraw/zinc/80/71/79/1078807179.db2.gz UVDQANFVLCVMQJ-AWEZNQCLSA-N 1 0 420.491 0.560 20 0 HCADRO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C[NH+]1CCCCC1 ZINC000617182238 1078806570 /nfs/dbraw/zinc/80/65/70/1078806570.db2.gz KYMUPBLQXXPJJK-INIZCTEOSA-N 1 0 422.551 0.659 20 0 HCADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C[NH+]1CCCCC1 ZINC000617182239 1078806472 /nfs/dbraw/zinc/80/64/72/1078806472.db2.gz KYMUPBLQXXPJJK-MRXNPFEDSA-N 1 0 422.551 0.659 20 0 HCADRO C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C[NH+]1CCCCC1 ZINC000617182300 1078806557 /nfs/dbraw/zinc/80/65/57/1078806557.db2.gz OYQZBNRIDWPJPU-INIZCTEOSA-N 1 0 412.556 0.898 20 0 HCADRO C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C[NH+]1CCCCC1 ZINC000617182301 1078806525 /nfs/dbraw/zinc/80/65/25/1078806525.db2.gz OYQZBNRIDWPJPU-MRXNPFEDSA-N 1 0 412.556 0.898 20 0 HCADRO Cn1c2ncn(CC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)c2c(=O)n(C)c1=O ZINC000617250792 1078808733 /nfs/dbraw/zinc/80/87/33/1078808733.db2.gz IGFVWHMOQQOMSJ-UHFFFAOYSA-N 1 0 416.526 0.548 20 0 HCADRO Cn1c2ncn(CCC(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)c2c(=O)n(C)c1=O ZINC000617289796 1078810278 /nfs/dbraw/zinc/81/02/78/1078810278.db2.gz IDBKJGAXYKIBAH-INIZCTEOSA-N 1 0 412.494 0.113 20 0 HCADRO Cn1c2ncn(CCC(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)c2c(=O)n(C)c1=O ZINC000617289800 1078810268 /nfs/dbraw/zinc/81/02/68/1078810268.db2.gz IDBKJGAXYKIBAH-MRXNPFEDSA-N 1 0 412.494 0.113 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000617289893 1078810261 /nfs/dbraw/zinc/81/02/61/1078810261.db2.gz MHCJFRMXRGDOGX-KRWDZBQOSA-N 1 0 420.535 0.938 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000617289894 1078810240 /nfs/dbraw/zinc/81/02/40/1078810240.db2.gz MHCJFRMXRGDOGX-QGZVFWFLSA-N 1 0 420.535 0.938 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000617290982 1078810188 /nfs/dbraw/zinc/81/01/88/1078810188.db2.gz NABVBKLMWFKSDA-BZSNNMDCSA-N 1 0 407.536 0.311 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000617290983 1078810154 /nfs/dbraw/zinc/81/01/54/1078810154.db2.gz NABVBKLMWFKSDA-FGTMMUONSA-N 1 0 407.536 0.311 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000617290984 1078810147 /nfs/dbraw/zinc/81/01/47/1078810147.db2.gz NABVBKLMWFKSDA-OKZBNKHCSA-N 1 0 407.536 0.311 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000617290985 1078810206 /nfs/dbraw/zinc/81/02/06/1078810206.db2.gz NABVBKLMWFKSDA-SQNIBIBYSA-N 1 0 407.536 0.311 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000617411332 1078812152 /nfs/dbraw/zinc/81/21/52/1078812152.db2.gz HYSPILMOCYOCPF-KRWDZBQOSA-N 1 0 408.524 0.363 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000617411333 1078812522 /nfs/dbraw/zinc/81/25/22/1078812522.db2.gz HYSPILMOCYOCPF-QGZVFWFLSA-N 1 0 408.524 0.363 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000617411526 1078812506 /nfs/dbraw/zinc/81/25/06/1078812506.db2.gz NJLAUJYKGXVKMA-KDOFPFPSSA-N 1 0 411.524 0.971 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000617411527 1078812453 /nfs/dbraw/zinc/81/24/53/1078812453.db2.gz NJLAUJYKGXVKMA-KSSFIOAISA-N 1 0 411.524 0.971 20 0 HCADRO COc1ccc(CC(=O)N[C@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000617411552 1078812553 /nfs/dbraw/zinc/81/25/53/1078812553.db2.gz NRGDLMLTHKKDNE-INIZCTEOSA-N 1 0 411.524 0.469 20 0 HCADRO COc1ccc(CC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000617411553 1078812498 /nfs/dbraw/zinc/81/24/98/1078812498.db2.gz NRGDLMLTHKKDNE-MRXNPFEDSA-N 1 0 411.524 0.469 20 0 HCADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000617412299 1078812465 /nfs/dbraw/zinc/81/24/65/1078812465.db2.gz GPCQLFZMNIOGFL-INIZCTEOSA-N 1 0 410.540 0.657 20 0 HCADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000617412300 1078812392 /nfs/dbraw/zinc/81/23/92/1078812392.db2.gz GPCQLFZMNIOGFL-MRXNPFEDSA-N 1 0 410.540 0.657 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000617412781 1078812486 /nfs/dbraw/zinc/81/24/86/1078812486.db2.gz ULEAMQVRGTXSBW-KRWDZBQOSA-N 1 0 408.524 0.363 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000617412782 1078812404 /nfs/dbraw/zinc/81/24/04/1078812404.db2.gz ULEAMQVRGTXSBW-QGZVFWFLSA-N 1 0 408.524 0.363 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000617413090 1078812419 /nfs/dbraw/zinc/81/24/19/1078812419.db2.gz BJSCBIJSZZVMMT-INIZCTEOSA-N 1 0 410.540 0.657 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000617413091 1078812535 /nfs/dbraw/zinc/81/25/35/1078812535.db2.gz BJSCBIJSZZVMMT-MRXNPFEDSA-N 1 0 410.540 0.657 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000617413535 1078812543 /nfs/dbraw/zinc/81/25/43/1078812543.db2.gz MUGDDPJXCWLYDH-KRWDZBQOSA-N 1 0 422.551 0.510 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000617413536 1078812561 /nfs/dbraw/zinc/81/25/61/1078812561.db2.gz MUGDDPJXCWLYDH-QGZVFWFLSA-N 1 0 422.551 0.510 20 0 HCADRO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H]1CCC[N@H+](C)C1)n2C ZINC000617413974 1078812473 /nfs/dbraw/zinc/81/24/73/1078812473.db2.gz WZYNTHPMBHVRDY-AWEZNQCLSA-N 1 0 407.540 0.967 20 0 HCADRO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H]1CCC[N@H+](C)C1)n2C ZINC000617413975 1078812570 /nfs/dbraw/zinc/81/25/70/1078812570.db2.gz WZYNTHPMBHVRDY-CQSZACIVSA-N 1 0 407.540 0.967 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000617414612 1078812439 /nfs/dbraw/zinc/81/24/39/1078812439.db2.gz MQGQMZHUSYPAFL-HNNXBMFYSA-N 1 0 410.540 0.598 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000617414613 1078812862 /nfs/dbraw/zinc/81/28/62/1078812862.db2.gz MQGQMZHUSYPAFL-OAHLLOKOSA-N 1 0 410.540 0.598 20 0 HCADRO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000617415514 1078812893 /nfs/dbraw/zinc/81/28/93/1078812893.db2.gz FCOQNSVNRHZUED-KRWDZBQOSA-N 1 0 413.540 0.794 20 0 HCADRO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000617415515 1078812820 /nfs/dbraw/zinc/81/28/20/1078812820.db2.gz FCOQNSVNRHZUED-QGZVFWFLSA-N 1 0 413.540 0.794 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000617481731 1078817602 /nfs/dbraw/zinc/81/76/02/1078817602.db2.gz HLYCFKQEOUYKBM-UHFFFAOYSA-N 1 0 417.510 0.926 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000617482014 1078817372 /nfs/dbraw/zinc/81/73/72/1078817372.db2.gz WMUBMQKHTUPDDZ-UHFFFAOYSA-N 1 0 417.510 0.926 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000617502746 1078818973 /nfs/dbraw/zinc/81/89/73/1078818973.db2.gz BCPCDSZWKFVEGM-UHFFFAOYSA-N 1 0 420.510 0.567 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000617502789 1078818963 /nfs/dbraw/zinc/81/89/63/1078818963.db2.gz DOCLDJKCCWBKCZ-UHFFFAOYSA-N 1 0 420.510 0.567 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)CC1 ZINC000617502927 1078818922 /nfs/dbraw/zinc/81/89/22/1078818922.db2.gz NPCPAMRPIZICPA-UHFFFAOYSA-N 1 0 420.510 0.697 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cccc1-n1cnnn1 ZINC000617526022 1078822062 /nfs/dbraw/zinc/82/20/62/1078822062.db2.gz ATSNPQDWODFUOV-INIZCTEOSA-N 1 0 413.482 0.623 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cccc1-n1cnnn1 ZINC000617526023 1078821974 /nfs/dbraw/zinc/82/19/74/1078821974.db2.gz ATSNPQDWODFUOV-MRXNPFEDSA-N 1 0 413.482 0.623 20 0 HCADRO NC(=O)COc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000617526060 1078821638 /nfs/dbraw/zinc/82/16/38/1078821638.db2.gz BQMJVZRAATXSAX-KRWDZBQOSA-N 1 0 404.467 0.203 20 0 HCADRO NC(=O)COc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000617526061 1078821591 /nfs/dbraw/zinc/82/15/91/1078821591.db2.gz BQMJVZRAATXSAX-QGZVFWFLSA-N 1 0 404.467 0.203 20 0 HCADRO Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)cc12 ZINC000617526084 1078821631 /nfs/dbraw/zinc/82/16/31/1078821631.db2.gz COVPDRLZPPUXKH-INIZCTEOSA-N 1 0 400.483 0.929 20 0 HCADRO Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)cc12 ZINC000617526085 1078821967 /nfs/dbraw/zinc/82/19/67/1078821967.db2.gz COVPDRLZPPUXKH-MRXNPFEDSA-N 1 0 400.483 0.929 20 0 HCADRO CN1C(=O)c2ccc(NC(=O)C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)cc2C1=O ZINC000617526198 1078821981 /nfs/dbraw/zinc/82/19/81/1078821981.db2.gz GYFJKCNHKPGBFY-HNNXBMFYSA-N 1 0 414.462 0.564 20 0 HCADRO CN1C(=O)c2ccc(NC(=O)C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)cc2C1=O ZINC000617526199 1078822100 /nfs/dbraw/zinc/82/21/00/1078822100.db2.gz GYFJKCNHKPGBFY-OAHLLOKOSA-N 1 0 414.462 0.564 20 0 HCADRO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000617526215 1078821558 /nfs/dbraw/zinc/82/15/58/1078821558.db2.gz HQYXQKGMSAVPAQ-IBGZPJMESA-N 1 0 416.522 0.969 20 0 HCADRO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000617526216 1078821514 /nfs/dbraw/zinc/82/15/14/1078821514.db2.gz HQYXQKGMSAVPAQ-LJQANCHMSA-N 1 0 416.522 0.969 20 0 HCADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000617526417 1078821540 /nfs/dbraw/zinc/82/15/40/1078821540.db2.gz KUCWTDBORUMYOR-INIZCTEOSA-N 1 0 409.508 0.742 20 0 HCADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000617526418 1078821648 /nfs/dbraw/zinc/82/16/48/1078821648.db2.gz KUCWTDBORUMYOR-MRXNPFEDSA-N 1 0 409.508 0.742 20 0 HCADRO O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000617526466 1078821616 /nfs/dbraw/zinc/82/16/16/1078821616.db2.gz LZNRCLKYNQNLCY-IBGZPJMESA-N 1 0 412.494 0.978 20 0 HCADRO O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000617526467 1078821498 /nfs/dbraw/zinc/82/14/98/1078821498.db2.gz LZNRCLKYNQNLCY-LJQANCHMSA-N 1 0 412.494 0.978 20 0 HCADRO O=C(Nc1cccc(N2CCNC2=O)c1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000617526494 1078821582 /nfs/dbraw/zinc/82/15/82/1078821582.db2.gz MGMGGZJPNBWADP-GOSISDBHSA-N 1 0 415.494 0.868 20 0 HCADRO O=C(Nc1cccc(N2CCNC2=O)c1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000617526507 1078821568 /nfs/dbraw/zinc/82/15/68/1078821568.db2.gz MGMGGZJPNBWADP-SFHVURJKSA-N 1 0 415.494 0.868 20 0 HCADRO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000617526515 1078822051 /nfs/dbraw/zinc/82/20/51/1078822051.db2.gz MQFJPFSGFDKTRX-INIZCTEOSA-N 1 0 418.494 0.707 20 0 HCADRO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000617526519 1078821949 /nfs/dbraw/zinc/82/19/49/1078821949.db2.gz MQFJPFSGFDKTRX-MRXNPFEDSA-N 1 0 418.494 0.707 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1-n1cnnn1 ZINC000617527083 1078822040 /nfs/dbraw/zinc/82/20/40/1078822040.db2.gz RNNZUILGLWOKJK-KRWDZBQOSA-N 1 0 413.482 0.623 20 0 HCADRO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1-n1cnnn1 ZINC000617527084 1078822081 /nfs/dbraw/zinc/82/20/81/1078822081.db2.gz RNNZUILGLWOKJK-QGZVFWFLSA-N 1 0 413.482 0.623 20 0 HCADRO CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000617527239 1078821957 /nfs/dbraw/zinc/82/19/57/1078821957.db2.gz TWZUQZCESVTAAE-INIZCTEOSA-N 1 0 409.508 0.742 20 0 HCADRO CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000617527240 1078822009 /nfs/dbraw/zinc/82/20/09/1078822009.db2.gz TWZUQZCESVTAAE-MRXNPFEDSA-N 1 0 409.508 0.742 20 0 HCADRO O=C(Nc1ccc2c(c1)NC(=O)CO2)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000617527253 1078822033 /nfs/dbraw/zinc/82/20/33/1078822033.db2.gz UOIFFCLGUSMJHN-HNNXBMFYSA-N 1 0 402.451 0.669 20 0 HCADRO O=C(Nc1ccc2c(c1)NC(=O)CO2)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000617527254 1078821996 /nfs/dbraw/zinc/82/19/96/1078821996.db2.gz UOIFFCLGUSMJHN-OAHLLOKOSA-N 1 0 402.451 0.669 20 0 HCADRO O=C(Nc1cccc(Cn2cncn2)c1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000617527293 1078822072 /nfs/dbraw/zinc/82/20/72/1078822072.db2.gz VVIYTXQYRRTORU-IBGZPJMESA-N 1 0 412.494 0.978 20 0 HCADRO O=C(Nc1cccc(Cn2cncn2)c1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000617527294 1078822058 /nfs/dbraw/zinc/82/20/58/1078822058.db2.gz VVIYTXQYRRTORU-LJQANCHMSA-N 1 0 412.494 0.978 20 0 HCADRO NC(=O)COc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000617527403 1078822018 /nfs/dbraw/zinc/82/20/18/1078822018.db2.gz VYNPHBGGADMZNF-KRWDZBQOSA-N 1 0 404.467 0.203 20 0 HCADRO NC(=O)COc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000617527404 1078822003 /nfs/dbraw/zinc/82/20/03/1078822003.db2.gz VYNPHBGGADMZNF-QGZVFWFLSA-N 1 0 404.467 0.203 20 0 HCADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000617527513 1078822553 /nfs/dbraw/zinc/82/25/53/1078822553.db2.gz YNHYKQYXVBWTSV-GOSISDBHSA-N 1 0 402.495 0.627 20 0 HCADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000617527514 1078822521 /nfs/dbraw/zinc/82/25/21/1078822521.db2.gz YNHYKQYXVBWTSV-SFHVURJKSA-N 1 0 402.495 0.627 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1-n1cnnn1 ZINC000617528920 1078822401 /nfs/dbraw/zinc/82/24/01/1078822401.db2.gz DDFSONLZVAZOSZ-KRWDZBQOSA-N 1 0 413.482 0.623 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1-n1cnnn1 ZINC000617528921 1078822506 /nfs/dbraw/zinc/82/25/06/1078822506.db2.gz DDFSONLZVAZOSZ-QGZVFWFLSA-N 1 0 413.482 0.623 20 0 HCADRO COCCOc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000617528973 1078822449 /nfs/dbraw/zinc/82/24/49/1078822449.db2.gz IDWBHBWGORHIQN-KRWDZBQOSA-N 1 0 406.483 0.759 20 0 HCADRO COCCOc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cn1 ZINC000617528974 1078822439 /nfs/dbraw/zinc/82/24/39/1078822439.db2.gz IDWBHBWGORHIQN-QGZVFWFLSA-N 1 0 406.483 0.759 20 0 HCADRO NC(=O)CCOc1ccccc1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000617529009 1078822537 /nfs/dbraw/zinc/82/25/37/1078822537.db2.gz KJHCBBAKAKVZBR-INIZCTEOSA-N 1 0 418.494 0.593 20 0 HCADRO NC(=O)CCOc1ccccc1NC(=O)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000617529010 1078822492 /nfs/dbraw/zinc/82/24/92/1078822492.db2.gz KJHCBBAKAKVZBR-MRXNPFEDSA-N 1 0 418.494 0.593 20 0 HCADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000617529021 1078822426 /nfs/dbraw/zinc/82/24/26/1078822426.db2.gz KZZDASSZOVGIRC-HNNXBMFYSA-N 1 0 410.496 0.137 20 0 HCADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cn1 ZINC000617529022 1078822460 /nfs/dbraw/zinc/82/24/60/1078822460.db2.gz KZZDASSZOVGIRC-OAHLLOKOSA-N 1 0 410.496 0.137 20 0 HCADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000617529033 1078822368 /nfs/dbraw/zinc/82/23/68/1078822368.db2.gz LREFHJPZOHAONB-GOSISDBHSA-N 1 0 413.482 0.623 20 0 HCADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000617529034 1078822357 /nfs/dbraw/zinc/82/23/57/1078822357.db2.gz LREFHJPZOHAONB-SFHVURJKSA-N 1 0 413.482 0.623 20 0 HCADRO O=C(Nc1ccccc1Cn1cncn1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000617529125 1078822470 /nfs/dbraw/zinc/82/24/70/1078822470.db2.gz OGSYZGZTOQIYLQ-GOSISDBHSA-N 1 0 412.494 0.978 20 0 HCADRO O=C(Nc1ccccc1Cn1cncn1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000617529126 1078822411 /nfs/dbraw/zinc/82/24/11/1078822411.db2.gz OGSYZGZTOQIYLQ-SFHVURJKSA-N 1 0 412.494 0.978 20 0 HCADRO O=C(Nc1cccc(-n2cnnn2)c1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000617577721 1078824693 /nfs/dbraw/zinc/82/46/93/1078824693.db2.gz KMFQTISRPPJNGR-UHFFFAOYSA-N 1 0 406.450 0.777 20 0 HCADRO O=C(Nc1ccc2c(c1)NC(=O)CO2)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000617590430 1078825633 /nfs/dbraw/zinc/82/56/33/1078825633.db2.gz INUGLTJMDRYMDR-UHFFFAOYSA-N 1 0 402.451 0.527 20 0 HCADRO CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000617590431 1078825712 /nfs/dbraw/zinc/82/57/12/1078825712.db2.gz JLDRLEXOEHYGCW-UHFFFAOYSA-N 1 0 402.495 0.898 20 0 HCADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000617590432 1078825747 /nfs/dbraw/zinc/82/57/47/1078825747.db2.gz LIHGEGNZIFTBQK-UHFFFAOYSA-N 1 0 402.495 0.484 20 0 HCADRO Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)cc12 ZINC000617590449 1078825668 /nfs/dbraw/zinc/82/56/68/1078825668.db2.gz ZNZRXFNCEQQFCA-UHFFFAOYSA-N 1 0 400.483 0.786 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000617591501 1078825687 /nfs/dbraw/zinc/82/56/87/1078825687.db2.gz LHLIKSLOJCCYPV-UHFFFAOYSA-N 1 0 408.524 0.868 20 0 HCADRO CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000617593240 1078825698 /nfs/dbraw/zinc/82/56/98/1078825698.db2.gz AVUKBPHGWWODDL-UHFFFAOYSA-N 1 0 415.538 0.813 20 0 HCADRO CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CCC(C[NH+](C)C)CC3)c2)C1=O ZINC000617595086 1078826295 /nfs/dbraw/zinc/82/62/95/1078826295.db2.gz PTVUCKLGQJPXCF-UHFFFAOYSA-N 1 0 401.467 0.824 20 0 HCADRO CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000617596663 1078827544 /nfs/dbraw/zinc/82/75/44/1078827544.db2.gz MLTUTNURWWOPSC-UHFFFAOYSA-N 1 0 403.527 0.699 20 0 HCADRO CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000617596844 1078827528 /nfs/dbraw/zinc/82/75/28/1078827528.db2.gz QGXDKTDBYZUWET-UHFFFAOYSA-N 1 0 417.510 0.259 20 0 HCADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000617613071 1078830325 /nfs/dbraw/zinc/83/03/25/1078830325.db2.gz DEOPURXXRUVALJ-AWEZNQCLSA-N 1 0 412.512 0.236 20 0 HCADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000617613072 1078830300 /nfs/dbraw/zinc/83/03/00/1078830300.db2.gz DEOPURXXRUVALJ-CQSZACIVSA-N 1 0 412.512 0.236 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000617613077 1078830010 /nfs/dbraw/zinc/83/00/10/1078830010.db2.gz DHBGPFXCFHWNEQ-HNNXBMFYSA-N 1 0 412.512 0.106 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000617613078 1078830018 /nfs/dbraw/zinc/83/00/18/1078830018.db2.gz DHBGPFXCFHWNEQ-OAHLLOKOSA-N 1 0 412.512 0.106 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC000617613732 1078831013 /nfs/dbraw/zinc/83/10/13/1078831013.db2.gz UFFPRZRHCRFOBZ-HNNXBMFYSA-N 1 0 412.512 0.106 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000617613733 1078831073 /nfs/dbraw/zinc/83/10/73/1078831073.db2.gz UFFPRZRHCRFOBZ-OAHLLOKOSA-N 1 0 412.512 0.106 20 0 HCADRO NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)C1 ZINC000617650746 1078832585 /nfs/dbraw/zinc/83/25/85/1078832585.db2.gz XIRJRBQZUFPIDB-HNNXBMFYSA-N 1 0 415.494 0.773 20 0 HCADRO NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)C1 ZINC000617650747 1078832500 /nfs/dbraw/zinc/83/25/00/1078832500.db2.gz XIRJRBQZUFPIDB-OAHLLOKOSA-N 1 0 415.494 0.773 20 0 HCADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000617663649 1078833619 /nfs/dbraw/zinc/83/36/19/1078833619.db2.gz HCAVAIFWQVNJHD-UHFFFAOYSA-N 1 0 412.512 0.437 20 0 HCADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000617663658 1078833576 /nfs/dbraw/zinc/83/35/76/1078833576.db2.gz HQBXUNHOEVUMNF-UHFFFAOYSA-N 1 0 408.524 0.962 20 0 HCADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC([NH+](C)C)CC2)c2ccccc2O1 ZINC000617663669 1078833597 /nfs/dbraw/zinc/83/35/97/1078833597.db2.gz KEKMHTLJYXMMMF-GOSISDBHSA-N 1 0 402.495 0.859 20 0 HCADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC([NH+](C)C)CC2)c2ccccc2O1 ZINC000617663670 1078833589 /nfs/dbraw/zinc/83/35/89/1078833589.db2.gz KEKMHTLJYXMMMF-SFHVURJKSA-N 1 0 402.495 0.859 20 0 HCADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000617663672 1078833603 /nfs/dbraw/zinc/83/36/03/1078833603.db2.gz LFDQLQMKQJLENJ-UHFFFAOYSA-N 1 0 424.523 0.199 20 0 HCADRO CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000617663679 1078833546 /nfs/dbraw/zinc/83/35/46/1078833546.db2.gz MAADKCHZMNTZKH-UHFFFAOYSA-N 1 0 401.511 0.565 20 0 HCADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000617663731 1078833562 /nfs/dbraw/zinc/83/35/62/1078833562.db2.gz VBRKAMRYABIIHQ-UHFFFAOYSA-N 1 0 408.524 0.962 20 0 HCADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000617663732 1078833594 /nfs/dbraw/zinc/83/35/94/1078833594.db2.gz VKVHSILBAZJKTJ-UHFFFAOYSA-N 1 0 424.523 0.199 20 0 HCADRO C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1)n1cncn1 ZINC000617664769 1078834293 /nfs/dbraw/zinc/83/42/93/1078834293.db2.gz BEIHMAJZVJNPAB-AWEZNQCLSA-N 1 0 413.482 0.969 20 0 HCADRO C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1)n1cncn1 ZINC000617664776 1078834167 /nfs/dbraw/zinc/83/41/67/1078834167.db2.gz BEIHMAJZVJNPAB-CQSZACIVSA-N 1 0 413.482 0.969 20 0 HCADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000617664854 1078834280 /nfs/dbraw/zinc/83/42/80/1078834280.db2.gz CNIJTEHAPHDJST-UHFFFAOYSA-N 1 0 424.523 0.627 20 0 HCADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 ZINC000617664899 1078834206 /nfs/dbraw/zinc/83/42/06/1078834206.db2.gz DGSUYENVMHQVQD-UHFFFAOYSA-N 1 0 412.487 0.857 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1OCC(=O)NC1CC1 ZINC000617664985 1078834288 /nfs/dbraw/zinc/83/42/88/1078834288.db2.gz IFUIMUNBOPAQPQ-UHFFFAOYSA-N 1 0 418.494 0.844 20 0 HCADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000617665236 1078833885 /nfs/dbraw/zinc/83/38/85/1078833885.db2.gz QLVZVOMGQAGURP-UHFFFAOYSA-N 1 0 415.538 0.494 20 0 HCADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000617665270 1078833864 /nfs/dbraw/zinc/83/38/64/1078833864.db2.gz SDVQJJSFBMHJFH-UHFFFAOYSA-N 1 0 402.495 0.579 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)C[NH+]1CCCC1 ZINC000617724587 1078836800 /nfs/dbraw/zinc/83/68/00/1078836800.db2.gz DUGCQXTZPPTSMN-KRWDZBQOSA-N 1 0 415.538 0.861 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)C[NH+]1CCCC1 ZINC000617724588 1078836729 /nfs/dbraw/zinc/83/67/29/1078836729.db2.gz DUGCQXTZPPTSMN-QGZVFWFLSA-N 1 0 415.538 0.861 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1C ZINC000617738559 1078838481 /nfs/dbraw/zinc/83/84/81/1078838481.db2.gz PGIHCQCZJNJNPD-INIZCTEOSA-N 1 0 408.524 0.928 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1C ZINC000617738579 1078838554 /nfs/dbraw/zinc/83/85/54/1078838554.db2.gz PGIHCQCZJNJNPD-MRXNPFEDSA-N 1 0 408.524 0.928 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000617738777 1078838558 /nfs/dbraw/zinc/83/85/58/1078838558.db2.gz SMNOFHOQEMJXRV-INIZCTEOSA-N 1 0 400.483 0.043 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000617738778 1078838443 /nfs/dbraw/zinc/83/84/43/1078838443.db2.gz SMNOFHOQEMJXRV-MRXNPFEDSA-N 1 0 400.483 0.043 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c2ccccc2O1 ZINC000617738899 1078837080 /nfs/dbraw/zinc/83/70/80/1078837080.db2.gz UDYYHYMURLACMD-CRAIPNDOSA-N 1 0 400.479 0.613 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c2ccccc2O1 ZINC000617738900 1078837069 /nfs/dbraw/zinc/83/70/69/1078837069.db2.gz UDYYHYMURLACMD-MAUKXSAKSA-N 1 0 400.479 0.613 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c2ccccc2O1 ZINC000617738901 1078837137 /nfs/dbraw/zinc/83/71/37/1078837137.db2.gz UDYYHYMURLACMD-QAPCUYQASA-N 1 0 400.479 0.613 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c2ccccc2O1 ZINC000617738902 1078837204 /nfs/dbraw/zinc/83/72/04/1078837204.db2.gz UDYYHYMURLACMD-YJBOKZPZSA-N 1 0 400.479 0.613 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000617739001 1078837197 /nfs/dbraw/zinc/83/71/97/1078837197.db2.gz VYHQOXBWCUPVME-INIZCTEOSA-N 1 0 408.524 0.962 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000617739004 1078837088 /nfs/dbraw/zinc/83/70/88/1078837088.db2.gz VYHQOXBWCUPVME-MRXNPFEDSA-N 1 0 408.524 0.962 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1OCC(N)=O ZINC000617739155 1078836851 /nfs/dbraw/zinc/83/68/51/1078836851.db2.gz YXGNWNGKPBGEHF-HNNXBMFYSA-N 1 0 404.467 0.585 20 0 HCADRO COc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1OCC(N)=O ZINC000617739160 1078836837 /nfs/dbraw/zinc/83/68/37/1078836837.db2.gz YXGNWNGKPBGEHF-OAHLLOKOSA-N 1 0 404.467 0.585 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000617740167 1078837180 /nfs/dbraw/zinc/83/71/80/1078837180.db2.gz KWDCXKSWZBKNQA-GOSISDBHSA-N 1 0 415.494 0.948 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)c1 ZINC000617740168 1078837521 /nfs/dbraw/zinc/83/75/21/1078837521.db2.gz KWDCXKSWZBKNQA-SFHVURJKSA-N 1 0 415.494 0.948 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000617740701 1078837122 /nfs/dbraw/zinc/83/71/22/1078837122.db2.gz SSTDIIHOPFQPSD-GOSISDBHSA-N 1 0 415.494 0.948 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 ZINC000617740702 1078837208 /nfs/dbraw/zinc/83/72/08/1078837208.db2.gz SSTDIIHOPFQPSD-SFHVURJKSA-N 1 0 415.494 0.948 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000617885221 1078846460 /nfs/dbraw/zinc/84/64/60/1078846460.db2.gz BWEIPLBUFAFUAC-INIZCTEOSA-N 1 0 422.551 0.817 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000617885222 1078846489 /nfs/dbraw/zinc/84/64/89/1078846489.db2.gz BWEIPLBUFAFUAC-MRXNPFEDSA-N 1 0 422.551 0.817 20 0 HCADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)N(C)C ZINC000617885435 1078846336 /nfs/dbraw/zinc/84/63/36/1078846336.db2.gz GXQSIARUHBNIKE-AWEZNQCLSA-N 1 0 412.512 0.485 20 0 HCADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)N(C)C ZINC000617885436 1078846434 /nfs/dbraw/zinc/84/64/34/1078846434.db2.gz GXQSIARUHBNIKE-CQSZACIVSA-N 1 0 412.512 0.485 20 0 HCADRO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000617885751 1078846449 /nfs/dbraw/zinc/84/64/49/1078846449.db2.gz MGPURQXSGBIBPV-CYBMUJFWSA-N 1 0 411.528 0.152 20 0 HCADRO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000617885752 1078846392 /nfs/dbraw/zinc/84/63/92/1078846392.db2.gz MGPURQXSGBIBPV-ZDUSSCGKSA-N 1 0 411.528 0.152 20 0 HCADRO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000617886125 1078846822 /nfs/dbraw/zinc/84/68/22/1078846822.db2.gz SZOVQFLNEVRSHI-DZGCQCFKSA-N 1 0 412.512 0.149 20 0 HCADRO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000617886126 1078846738 /nfs/dbraw/zinc/84/67/38/1078846738.db2.gz SZOVQFLNEVRSHI-HIFRSBDPSA-N 1 0 412.512 0.149 20 0 HCADRO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000617886127 1078846897 /nfs/dbraw/zinc/84/68/97/1078846897.db2.gz SZOVQFLNEVRSHI-UKRRQHHQSA-N 1 0 412.512 0.149 20 0 HCADRO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000617886128 1078846846 /nfs/dbraw/zinc/84/68/46/1078846846.db2.gz SZOVQFLNEVRSHI-ZFWWWQNUSA-N 1 0 412.512 0.149 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 ZINC000617886330 1078846885 /nfs/dbraw/zinc/84/68/85/1078846885.db2.gz XEAZIMAOLGFQRA-AWEZNQCLSA-N 1 0 407.496 0.306 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 ZINC000617886336 1078846792 /nfs/dbraw/zinc/84/67/92/1078846792.db2.gz XEAZIMAOLGFQRA-CQSZACIVSA-N 1 0 407.496 0.306 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000617886359 1078846869 /nfs/dbraw/zinc/84/68/69/1078846869.db2.gz YDPIZHJXTWGNRH-HNNXBMFYSA-N 1 0 424.523 0.165 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000617886363 1078846833 /nfs/dbraw/zinc/84/68/33/1078846833.db2.gz YDPIZHJXTWGNRH-OAHLLOKOSA-N 1 0 424.523 0.165 20 0 HCADRO COc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1OCC(=O)NC1CC1 ZINC000617886641 1078846379 /nfs/dbraw/zinc/84/63/79/1078846379.db2.gz ABNDRLDZKLYNIH-HNNXBMFYSA-N 1 0 404.467 0.502 20 0 HCADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1OCC(=O)NC1CC1 ZINC000617886642 1078846442 /nfs/dbraw/zinc/84/64/42/1078846442.db2.gz ABNDRLDZKLYNIH-OAHLLOKOSA-N 1 0 404.467 0.502 20 0 HCADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000617886786 1078846499 /nfs/dbraw/zinc/84/64/99/1078846499.db2.gz BUCABYKLSUIHLA-CYBMUJFWSA-N 1 0 410.496 0.285 20 0 HCADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000617886791 1078846473 /nfs/dbraw/zinc/84/64/73/1078846473.db2.gz BUCABYKLSUIHLA-ZDUSSCGKSA-N 1 0 410.496 0.285 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000617886839 1078846325 /nfs/dbraw/zinc/84/63/25/1078846325.db2.gz CQADLTAKIANQAP-GFCCVEGCSA-N 1 0 402.904 0.739 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000617886840 1078846422 /nfs/dbraw/zinc/84/64/22/1078846422.db2.gz CQADLTAKIANQAP-LBPRGKRZSA-N 1 0 402.904 0.739 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 ZINC000617887373 1078847284 /nfs/dbraw/zinc/84/72/84/1078847284.db2.gz KJLZTXZRLCNWSZ-KRWDZBQOSA-N 1 0 403.483 0.106 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 ZINC000617887374 1078847344 /nfs/dbraw/zinc/84/73/44/1078847344.db2.gz KJLZTXZRLCNWSZ-QGZVFWFLSA-N 1 0 403.483 0.106 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 ZINC000617888300 1078847358 /nfs/dbraw/zinc/84/73/58/1078847358.db2.gz YKRCAGLLYOGQND-KRWDZBQOSA-N 1 0 408.462 0.693 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 ZINC000617888301 1078847266 /nfs/dbraw/zinc/84/72/66/1078847266.db2.gz YKRCAGLLYOGQND-QGZVFWFLSA-N 1 0 408.462 0.693 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000617915803 1078847755 /nfs/dbraw/zinc/84/77/55/1078847755.db2.gz YORLRCUHQXFTCB-AWEZNQCLSA-N 1 0 412.512 0.932 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000617915804 1078847673 /nfs/dbraw/zinc/84/76/73/1078847673.db2.gz YORLRCUHQXFTCB-CQSZACIVSA-N 1 0 412.512 0.932 20 0 HCADRO COC(=O)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2O1 ZINC000617925271 1078848626 /nfs/dbraw/zinc/84/86/26/1078848626.db2.gz XMTHEZVQFMYNOQ-CRAIPNDOSA-N 1 0 419.478 0.571 20 0 HCADRO COC(=O)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2O1 ZINC000617925277 1078848527 /nfs/dbraw/zinc/84/85/27/1078848527.db2.gz XMTHEZVQFMYNOQ-MAUKXSAKSA-N 1 0 419.478 0.571 20 0 HCADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2O1 ZINC000617925278 1078848663 /nfs/dbraw/zinc/84/86/63/1078848663.db2.gz XMTHEZVQFMYNOQ-QAPCUYQASA-N 1 0 419.478 0.571 20 0 HCADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2O1 ZINC000617925279 1078848563 /nfs/dbraw/zinc/84/85/63/1078848563.db2.gz XMTHEZVQFMYNOQ-YJBOKZPZSA-N 1 0 419.478 0.571 20 0 HCADRO COC(=O)[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000618050562 1078853235 /nfs/dbraw/zinc/85/32/35/1078853235.db2.gz ALJJHHXMKYXLGM-INIZCTEOSA-N 1 0 405.430 0.595 20 0 HCADRO COC(=O)[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000618050563 1078853200 /nfs/dbraw/zinc/85/32/00/1078853200.db2.gz ALJJHHXMKYXLGM-MRXNPFEDSA-N 1 0 405.430 0.595 20 0 HCADRO CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000618095916 1078855304 /nfs/dbraw/zinc/85/53/04/1078855304.db2.gz CMAVJPNNJSAFCP-INIZCTEOSA-N 1 0 410.540 0.978 20 0 HCADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000618095917 1078855417 /nfs/dbraw/zinc/85/54/17/1078855417.db2.gz CMAVJPNNJSAFCP-MRXNPFEDSA-N 1 0 410.540 0.978 20 0 HCADRO O=C(CC[C@H]1NC(=O)NC1=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000618150760 1078856358 /nfs/dbraw/zinc/85/63/58/1078856358.db2.gz WBKDKIOJVDRBTR-GOSISDBHSA-N 1 0 401.511 0.689 20 0 HCADRO CCOC(=O)c1n[nH]c(C2CCN(C(=O)NCC(C)(C)N3CC[NH+](C)CC3)CC2)n1 ZINC000618343550 1078858798 /nfs/dbraw/zinc/85/87/98/1078858798.db2.gz SEMVIXOAOACLDM-UHFFFAOYSA-N 1 0 421.546 0.896 20 0 HCADRO CN(CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C(=O)c1ccc(Br)o1 ZINC000618375623 1078859171 /nfs/dbraw/zinc/85/91/71/1078859171.db2.gz YFZHWMXIQPMIGI-UHFFFAOYSA-N 1 0 415.288 0.347 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000618382493 1078859832 /nfs/dbraw/zinc/85/98/32/1078859832.db2.gz UKELHODCIBPNRS-KRWDZBQOSA-N 1 0 416.588 0.497 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000618382498 1078859898 /nfs/dbraw/zinc/85/98/98/1078859898.db2.gz UKELHODCIBPNRS-QGZVFWFLSA-N 1 0 416.588 0.497 20 0 HCADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000618383388 1078859787 /nfs/dbraw/zinc/85/97/87/1078859787.db2.gz AUWFXCOEKFODMF-UHFFFAOYSA-N 1 0 400.545 0.706 20 0 HCADRO COCCn1cc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)ccc1=O ZINC000618383474 1078859801 /nfs/dbraw/zinc/85/98/01/1078859801.db2.gz IDGSNVMOOGQTBG-UHFFFAOYSA-N 1 0 418.538 0.949 20 0 HCADRO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000618384499 1078859771 /nfs/dbraw/zinc/85/97/71/1078859771.db2.gz YXXHOBPHZNZCQN-KRWDZBQOSA-N 1 0 414.572 0.251 20 0 HCADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000618384500 1078859812 /nfs/dbraw/zinc/85/98/12/1078859812.db2.gz YXXHOBPHZNZCQN-QGZVFWFLSA-N 1 0 414.572 0.251 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000618394779 1078859482 /nfs/dbraw/zinc/85/94/82/1078859482.db2.gz CHCAJMCCKINJBZ-INIZCTEOSA-N 1 0 410.540 0.746 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000618394781 1078859531 /nfs/dbraw/zinc/85/95/31/1078859531.db2.gz CHCAJMCCKINJBZ-MRXNPFEDSA-N 1 0 410.540 0.746 20 0 HCADRO C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCCN3S(C)(=O)=O)cc2)CC1 ZINC000618395093 1078859516 /nfs/dbraw/zinc/85/95/16/1078859516.db2.gz UMHDALITISVOLR-IBGZPJMESA-N 1 0 408.568 0.864 20 0 HCADRO C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCCCN3S(C)(=O)=O)cc2)CC1 ZINC000618395094 1078859534 /nfs/dbraw/zinc/85/95/34/1078859534.db2.gz UMHDALITISVOLR-LJQANCHMSA-N 1 0 408.568 0.864 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 ZINC000618400555 1078859890 /nfs/dbraw/zinc/85/98/90/1078859890.db2.gz TXRYEPZCWWQHOJ-KRWDZBQOSA-N 1 0 410.584 0.782 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 ZINC000618400556 1078859861 /nfs/dbraw/zinc/85/98/61/1078859861.db2.gz TXRYEPZCWWQHOJ-QGZVFWFLSA-N 1 0 410.584 0.782 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000618401236 1078859456 /nfs/dbraw/zinc/85/94/56/1078859456.db2.gz GZUGPXISXBRPMZ-UHFFFAOYSA-N 1 0 410.584 0.876 20 0 HCADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)o1 ZINC000618406068 1078860135 /nfs/dbraw/zinc/86/01/35/1078860135.db2.gz PNNJBYHMNCKHQN-UHFFFAOYSA-N 1 0 404.467 0.555 20 0 HCADRO CC(C)[N@H+](C)CC1CCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000618407782 1078860244 /nfs/dbraw/zinc/86/02/44/1078860244.db2.gz IJLRSPHYIMHHAQ-UHFFFAOYSA-N 1 0 404.515 0.403 20 0 HCADRO CCC[NH+]1CCC(N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000618413987 1078859851 /nfs/dbraw/zinc/85/98/51/1078859851.db2.gz RNGRSHWNEIYYSF-UHFFFAOYSA-N 1 0 412.556 0.992 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000618421216 1078860239 /nfs/dbraw/zinc/86/02/39/1078860239.db2.gz HBTYBBYNYHILTK-UHFFFAOYSA-N 1 0 412.556 0.850 20 0 HCADRO CCOC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC000618444149 1078860525 /nfs/dbraw/zinc/86/05/25/1078860525.db2.gz HKHWBFLVPNDRKB-UHFFFAOYSA-N 1 0 414.528 0.625 20 0 HCADRO CCOC1CC[NH+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000618444188 1078860516 /nfs/dbraw/zinc/86/05/16/1078860516.db2.gz JVMUAPSINABYGW-FQEVSTJZSA-N 1 0 417.506 0.998 20 0 HCADRO CCOC1CC[NH+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000618444189 1078860409 /nfs/dbraw/zinc/86/04/09/1078860409.db2.gz JVMUAPSINABYGW-HXUWFJFHSA-N 1 0 417.506 0.998 20 0 HCADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)s1 ZINC000618460052 1078861285 /nfs/dbraw/zinc/86/12/85/1078861285.db2.gz WTQJRMZIUXFAEL-GFCCVEGCSA-N 1 0 402.542 0.340 20 0 HCADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)s1 ZINC000618460053 1078861155 /nfs/dbraw/zinc/86/11/55/1078861155.db2.gz WTQJRMZIUXFAEL-LBPRGKRZSA-N 1 0 402.542 0.340 20 0 HCADRO CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000618535872 1078864460 /nfs/dbraw/zinc/86/44/60/1078864460.db2.gz RVNRGBSKBSNLSB-KRWDZBQOSA-N 1 0 420.539 0.753 20 0 HCADRO CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000618535876 1078864441 /nfs/dbraw/zinc/86/44/41/1078864441.db2.gz RVNRGBSKBSNLSB-QGZVFWFLSA-N 1 0 420.539 0.753 20 0 HCADRO CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000618538047 1078864484 /nfs/dbraw/zinc/86/44/84/1078864484.db2.gz IBRPISMIVZBOOH-UHFFFAOYSA-N 1 0 420.539 0.610 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1cccs1 ZINC000618546234 1078864102 /nfs/dbraw/zinc/86/41/02/1078864102.db2.gz KIIFVNLNQFJNKV-AWEZNQCLSA-N 1 0 421.523 0.354 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1cccs1 ZINC000618546236 1078864060 /nfs/dbraw/zinc/86/40/60/1078864060.db2.gz KIIFVNLNQFJNKV-CQSZACIVSA-N 1 0 421.523 0.354 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 ZINC000618548374 1078864135 /nfs/dbraw/zinc/86/41/35/1078864135.db2.gz BHQCYXOEEGWJIW-GOSISDBHSA-N 1 0 410.540 0.742 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 ZINC000618548375 1078864081 /nfs/dbraw/zinc/86/40/81/1078864081.db2.gz BHQCYXOEEGWJIW-SFHVURJKSA-N 1 0 410.540 0.742 20 0 HCADRO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(CO)(OC)CC1 ZINC000618551321 1078864018 /nfs/dbraw/zinc/86/40/18/1078864018.db2.gz VDKOJPIHFUMUDL-GOSISDBHSA-N 1 0 403.479 0.842 20 0 HCADRO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(CO)(OC)CC1 ZINC000618551322 1078864071 /nfs/dbraw/zinc/86/40/71/1078864071.db2.gz VDKOJPIHFUMUDL-SFHVURJKSA-N 1 0 403.479 0.842 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)C1 ZINC000618560510 1078864926 /nfs/dbraw/zinc/86/49/26/1078864926.db2.gz ACVGVOHXIVJUKU-HNNXBMFYSA-N 1 0 421.523 0.291 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)C1 ZINC000618560511 1078864839 /nfs/dbraw/zinc/86/48/39/1078864839.db2.gz ACVGVOHXIVJUKU-OAHLLOKOSA-N 1 0 421.523 0.291 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000618561093 1078865301 /nfs/dbraw/zinc/86/53/01/1078865301.db2.gz MFPASEZDQDYHFB-CYBMUJFWSA-N 1 0 424.552 0.801 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000618561094 1078865333 /nfs/dbraw/zinc/86/53/33/1078865333.db2.gz MFPASEZDQDYHFB-ZDUSSCGKSA-N 1 0 424.552 0.801 20 0 HCADRO O=C(Nc1ccc2c(c1)OCC(=O)N2)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000618598419 1078866333 /nfs/dbraw/zinc/86/63/33/1078866333.db2.gz AMUISSOFYFKJHS-HNNXBMFYSA-N 1 0 402.451 0.669 20 0 HCADRO O=C(Nc1ccc2c(c1)OCC(=O)N2)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000618598423 1078866266 /nfs/dbraw/zinc/86/62/66/1078866266.db2.gz AMUISSOFYFKJHS-OAHLLOKOSA-N 1 0 402.451 0.669 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC1 ZINC000618646795 1078866910 /nfs/dbraw/zinc/86/69/10/1078866910.db2.gz ZWHNDOWIUFNRJK-UHFFFAOYSA-N 1 0 418.604 0.791 20 0 HCADRO CC(C)(C)NS(=O)(=O)CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000618647127 1078866606 /nfs/dbraw/zinc/86/66/06/1078866606.db2.gz VSXVTCUNPXZOLL-UHFFFAOYSA-N 1 0 416.588 0.545 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000618687486 1078868218 /nfs/dbraw/zinc/86/82/18/1078868218.db2.gz JXRXUWRSFNMJJW-UHFFFAOYSA-N 1 0 420.535 0.908 20 0 HCADRO Cn1c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000618792396 1078873191 /nfs/dbraw/zinc/87/31/91/1078873191.db2.gz DKRHAIJGXJQHQV-UHFFFAOYSA-N 1 0 413.478 0.446 20 0 HCADRO Cn1c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000618809915 1078873466 /nfs/dbraw/zinc/87/34/66/1078873466.db2.gz LEKSHTIVCCDKES-INIZCTEOSA-N 1 0 401.442 0.748 20 0 HCADRO Cn1c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000618809917 1078873447 /nfs/dbraw/zinc/87/34/47/1078873447.db2.gz LEKSHTIVCCDKES-MRXNPFEDSA-N 1 0 401.442 0.748 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000618907747 1078878085 /nfs/dbraw/zinc/87/80/85/1078878085.db2.gz PQEOAJICGXADFS-HNNXBMFYSA-N 1 0 411.572 0.981 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000618907748 1078877956 /nfs/dbraw/zinc/87/79/56/1078877956.db2.gz PQEOAJICGXADFS-OAHLLOKOSA-N 1 0 411.572 0.981 20 0 HCADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000618930712 1078877918 /nfs/dbraw/zinc/87/79/18/1078877918.db2.gz YMNCEAFBJRRBRQ-FUHWJXTLSA-N 1 0 409.556 0.956 20 0 HCADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000618930717 1078878062 /nfs/dbraw/zinc/87/80/62/1078878062.db2.gz YMNCEAFBJRRBRQ-SJLPKXTDSA-N 1 0 409.556 0.956 20 0 HCADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000618942617 1078879118 /nfs/dbraw/zinc/87/91/18/1078879118.db2.gz IKNROVLNQHKTHD-OAGGEKHMSA-N 1 0 416.588 0.736 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000618942618 1078879142 /nfs/dbraw/zinc/87/91/42/1078879142.db2.gz IKNROVLNQHKTHD-XHSDSOJGSA-N 1 0 416.588 0.736 20 0 HCADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000618942739 1078879130 /nfs/dbraw/zinc/87/91/30/1078879130.db2.gz ZLENMJOBJZFUMJ-HOTGVXAUSA-N 1 0 406.535 0.283 20 0 HCADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000618942740 1078879161 /nfs/dbraw/zinc/87/91/61/1078879161.db2.gz ZLENMJOBJZFUMJ-HZPDHXFCSA-N 1 0 406.535 0.283 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000618942741 1078879098 /nfs/dbraw/zinc/87/90/98/1078879098.db2.gz ZLENMJOBJZFUMJ-IYBDPMFKSA-N 1 0 406.535 0.283 20 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COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000619608045 1078919853 /nfs/dbraw/zinc/91/98/53/1078919853.db2.gz ANEBYLMFNHABMM-UHFFFAOYSA-N 1 0 420.901 0.783 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cncc(-c2cnn(C)c2)c1 ZINC000619608058 1078919972 /nfs/dbraw/zinc/91/99/72/1078919972.db2.gz HNYQVRRTNZRQBZ-UHFFFAOYSA-N 1 0 400.483 0.345 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1COc2cc(OC)ccc2C1 ZINC000619608064 1078919902 /nfs/dbraw/zinc/91/99/02/1078919902.db2.gz KNPRLPSSGQYOKV-KRWDZBQOSA-N 1 0 405.495 0.495 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1COc2cc(OC)ccc2C1 ZINC000619608065 1078920059 /nfs/dbraw/zinc/92/00/59/1078920059.db2.gz KNPRLPSSGQYOKV-QGZVFWFLSA-N 1 0 405.495 0.495 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000619608079 1078919989 /nfs/dbraw/zinc/91/99/89/1078919989.db2.gz WTXDNGGUDBZSLQ-UHFFFAOYSA-N 1 0 415.494 0.517 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000619608155 1078919961 /nfs/dbraw/zinc/91/99/61/1078919961.db2.gz OETYARHCRGVRPD-UHFFFAOYSA-N 1 0 401.467 0.127 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000619608161 1078920120 /nfs/dbraw/zinc/92/01/20/1078920120.db2.gz WKMYRKNHPCAHKA-KRWDZBQOSA-N 1 0 402.495 0.289 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000619608162 1078920031 /nfs/dbraw/zinc/92/00/31/1078920031.db2.gz WKMYRKNHPCAHKA-QGZVFWFLSA-N 1 0 402.495 0.289 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1CCN(c2ccc(C)cn2)CC1 ZINC000619608167 1078919916 /nfs/dbraw/zinc/91/99/16/1078919916.db2.gz AJQBOTYTSSGELK-UHFFFAOYSA-N 1 0 417.554 0.855 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000619608186 1078920045 /nfs/dbraw/zinc/92/00/45/1078920045.db2.gz MSWKXHGHUDIQAY-UHFFFAOYSA-N 1 0 424.933 0.593 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1csc(-c2ncccn2)n1 ZINC000619608250 1078920107 /nfs/dbraw/zinc/92/01/07/1078920107.db2.gz FAWBWVRKYRENQC-UHFFFAOYSA-N 1 0 404.496 0.463 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(N2CCNC2=O)c(C)c1 ZINC000619608263 1078919999 /nfs/dbraw/zinc/91/99/99/1078919999.db2.gz NJRRJRUNGZWCHF-UHFFFAOYSA-N 1 0 417.510 0.387 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCn1cc(Br)cn1 ZINC000619608305 1078920072 /nfs/dbraw/zinc/92/00/72/1078920072.db2.gz IFXGVYIUGQQKDO-UHFFFAOYSA-N 1 0 416.320 0.285 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(Cn2cncn2)cc1 ZINC000619608316 1078919524 /nfs/dbraw/zinc/91/95/24/1078919524.db2.gz OZROIAKIMKQKJA-UHFFFAOYSA-N 1 0 400.483 0.189 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnn(-c2ccccn2)c1C ZINC000619608317 1078919402 /nfs/dbraw/zinc/91/94/02/1078919402.db2.gz PBSVJZJHMJSRSP-UHFFFAOYSA-N 1 0 400.483 0.438 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000619608322 1078919884 /nfs/dbraw/zinc/91/98/84/1078919884.db2.gz SCUBVNODVOCVIZ-UHFFFAOYSA-N 1 0 402.495 0.824 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC000619608324 1078920096 /nfs/dbraw/zinc/92/00/96/1078920096.db2.gz SFYAQGODGKVPBT-IBGZPJMESA-N 1 0 402.495 0.213 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000619608325 1078919829 /nfs/dbraw/zinc/91/98/29/1078919829.db2.gz STQBZJSTQVSDCB-UHFFFAOYSA-N 1 0 422.501 0.525 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCc1c(C)nc2ccnn2c1C ZINC000619608326 1078919945 /nfs/dbraw/zinc/91/99/45/1078919945.db2.gz TWLDQWKAVIETTQ-UHFFFAOYSA-N 1 0 416.526 0.528 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1ccc2cc(OC)ccc21 ZINC000619608329 1078920017 /nfs/dbraw/zinc/92/00/17/1078920017.db2.gz XTGYTLVHQIQHDI-UHFFFAOYSA-N 1 0 402.495 0.899 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000619608334 1078920135 /nfs/dbraw/zinc/92/01/35/1078920135.db2.gz YNYLFUAVJIIBJG-UHFFFAOYSA-N 1 0 403.458 0.874 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ncc(Br)s1 ZINC000619617962 1078919048 /nfs/dbraw/zinc/91/90/48/1078919048.db2.gz CJCRALKPXOZQQN-UHFFFAOYSA-N 1 0 405.318 0.768 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1sc2nc(C)nc(N)c2c1C ZINC000619617979 1078919002 /nfs/dbraw/zinc/91/90/02/1078919002.db2.gz LURHCDGZDPHYHV-UHFFFAOYSA-N 1 0 420.539 0.753 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1nc(SC)ncc1Cl ZINC000619618014 1078919079 /nfs/dbraw/zinc/91/90/79/1078919079.db2.gz YJTBVVFBFWTNRB-UHFFFAOYSA-N 1 0 401.920 0.715 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000619618020 1078919025 /nfs/dbraw/zinc/91/90/25/1078919025.db2.gz YOXIAHAQUGDLQO-UHFFFAOYSA-N 1 0 400.479 0.732 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1noc(-c2cccc(F)c2)n1 ZINC000619618054 1078918977 /nfs/dbraw/zinc/91/89/77/1078918977.db2.gz QOVQTSCCBKNOJD-UHFFFAOYSA-N 1 0 405.430 0.738 20 0 HCADRO COC(=O)c1ccc(NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)nn1 ZINC000619631634 1078920988 /nfs/dbraw/zinc/92/09/88/1078920988.db2.gz OQYPDHGQQJXOFV-UHFFFAOYSA-N 1 0 400.439 0.876 20 0 HCADRO COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)nn1 ZINC000619634443 1078920952 /nfs/dbraw/zinc/92/09/52/1078920952.db2.gz LAXBKRDRUXJJMZ-INIZCTEOSA-N 1 0 414.466 0.674 20 0 HCADRO CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000619646964 1078923071 /nfs/dbraw/zinc/92/30/71/1078923071.db2.gz OLTBVLAMFFLZQK-IBGZPJMESA-N 1 0 409.487 0.202 20 0 HCADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000619646965 1078923172 /nfs/dbraw/zinc/92/31/72/1078923172.db2.gz OLTBVLAMFFLZQK-LJQANCHMSA-N 1 0 409.487 0.202 20 0 HCADRO COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000619684494 1078926003 /nfs/dbraw/zinc/92/60/03/1078926003.db2.gz IVUMBSXTZLHQNL-UHFFFAOYSA-N 1 0 406.483 0.563 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc(C(=O)NCC(=O)NC)c3)C2)CC1 ZINC000619729828 1078931217 /nfs/dbraw/zinc/93/12/17/1078931217.db2.gz WVDCLUBWQXQXBS-GOSISDBHSA-N 1 0 416.526 0.406 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc(C(=O)NCC(=O)NC)c3)C2)CC1 ZINC000619729830 1078931133 /nfs/dbraw/zinc/93/11/33/1078931133.db2.gz WVDCLUBWQXQXBS-SFHVURJKSA-N 1 0 416.526 0.406 20 0 HCADRO COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000619732384 1078931694 /nfs/dbraw/zinc/93/16/94/1078931694.db2.gz JJBAJMIBNNKTCN-HNNXBMFYSA-N 1 0 419.478 0.991 20 0 HCADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000619734927 1078929138 /nfs/dbraw/zinc/92/91/38/1078929138.db2.gz QDOGISLCPKGOMG-GOSISDBHSA-N 1 0 409.556 0.397 20 0 HCADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000619734936 1078929021 /nfs/dbraw/zinc/92/90/21/1078929021.db2.gz QDOGISLCPKGOMG-SFHVURJKSA-N 1 0 409.556 0.397 20 0 HCADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000619734955 1078929055 /nfs/dbraw/zinc/92/90/55/1078929055.db2.gz RSFFXQQXKAXHFN-IBGZPJMESA-N 1 0 423.583 0.785 20 0 HCADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000619734957 1078929108 /nfs/dbraw/zinc/92/91/08/1078929108.db2.gz RSFFXQQXKAXHFN-LJQANCHMSA-N 1 0 423.583 0.785 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)CC1 ZINC000619738129 1078929976 /nfs/dbraw/zinc/92/99/76/1078929976.db2.gz GKTZLCOFXVLRPY-UHFFFAOYSA-N 1 0 421.586 0.380 20 0 HCADRO Cn1c2ncn(CC[NH+]3CCC(CC(=O)NC4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000619738697 1078929895 /nfs/dbraw/zinc/92/98/95/1078929895.db2.gz YQHVFNXDUCBSFV-UHFFFAOYSA-N 1 0 416.526 0.595 20 0 HCADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000619740058 1078929819 /nfs/dbraw/zinc/92/98/19/1078929819.db2.gz WOXRUWRQSQWZNV-JZXOWHBKSA-N 1 0 415.531 0.602 20 0 HCADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000619740059 1078929504 /nfs/dbraw/zinc/92/95/04/1078929504.db2.gz WOXRUWRQSQWZNV-NUJGCVRESA-N 1 0 415.531 0.602 20 0 HCADRO COC(=O)[C@@]1(NCCC(=O)N2CCN(C)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000619781382 1078936819 /nfs/dbraw/zinc/93/68/19/1078936819.db2.gz QLDUFEGSHXTEIB-JOCHJYFZSA-N 1 0 402.539 0.948 20 0 HCADRO COC(=O)[C@]1(NCCC(=O)N2CCN(C)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000619781383 1078936902 /nfs/dbraw/zinc/93/69/02/1078936902.db2.gz QLDUFEGSHXTEIB-QFIPXVFZSA-N 1 0 402.539 0.948 20 0 HCADRO CCNC(=O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000619785444 1078937460 /nfs/dbraw/zinc/93/74/60/1078937460.db2.gz FMCLTSIUWBHKGT-UHFFFAOYSA-N 1 0 424.505 0.595 20 0 HCADRO O=C(NCCCn1cncn1)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000619790711 1078941986 /nfs/dbraw/zinc/94/19/86/1078941986.db2.gz ORUXNGXFUZMPGQ-UHFFFAOYSA-N 1 0 411.510 0.955 20 0 HCADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000619793935 1078941931 /nfs/dbraw/zinc/94/19/31/1078941931.db2.gz BAKANSZSWACQOL-MOPGFXCFSA-N 1 0 413.522 0.756 20 0 HCADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000619793936 1078941863 /nfs/dbraw/zinc/94/18/63/1078941863.db2.gz BAKANSZSWACQOL-OALUTQOASA-N 1 0 413.522 0.756 20 0 HCADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000619793937 1078941570 /nfs/dbraw/zinc/94/15/70/1078941570.db2.gz BAKANSZSWACQOL-RBUKOAKNSA-N 1 0 413.522 0.756 20 0 HCADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000619793938 1078942313 /nfs/dbraw/zinc/94/23/13/1078942313.db2.gz BAKANSZSWACQOL-RTBURBONSA-N 1 0 413.522 0.756 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)C4CC4)CC3)c2)CC1 ZINC000619801278 1078939396 /nfs/dbraw/zinc/93/93/96/1078939396.db2.gz ZBCSOUXRTNGVQL-UHFFFAOYSA-N 1 0 413.522 0.453 20 0 HCADRO CS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000619806126 1078940370 /nfs/dbraw/zinc/94/03/70/1078940370.db2.gz LILZZSFXENNKQW-UHFFFAOYSA-N 1 0 422.551 0.804 20 0 HCADRO CC(C)(C)OC(=O)c1cnc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cn1 ZINC000619806847 1078941079 /nfs/dbraw/zinc/94/10/79/1078941079.db2.gz DNNIBPQRTZRPFA-HNNXBMFYSA-N 1 0 405.499 0.568 20 0 HCADRO CC(C)(C)OC(=O)c1cnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cn1 ZINC000619806848 1078940922 /nfs/dbraw/zinc/94/09/22/1078940922.db2.gz DNNIBPQRTZRPFA-OAHLLOKOSA-N 1 0 405.499 0.568 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000619809865 1078945724 /nfs/dbraw/zinc/94/57/24/1078945724.db2.gz KBISLCGCVUWGHR-GOSISDBHSA-N 1 0 422.551 0.804 20 0 HCADRO CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000619809866 1078945687 /nfs/dbraw/zinc/94/56/87/1078945687.db2.gz KBISLCGCVUWGHR-SFHVURJKSA-N 1 0 422.551 0.804 20 0 HCADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000619810999 1078942455 /nfs/dbraw/zinc/94/24/55/1078942455.db2.gz FWVXLHNMEARVKB-UHFFFAOYSA-N 1 0 408.524 0.413 20 0 HCADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000619811006 1078942254 /nfs/dbraw/zinc/94/22/54/1078942254.db2.gz HDENTFAXKSXUJB-UHFFFAOYSA-N 1 0 401.511 0.565 20 0 HCADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000619827312 1078945117 /nfs/dbraw/zinc/94/51/17/1078945117.db2.gz JBLKNMBDHKLJPP-KRWDZBQOSA-N 1 0 415.538 0.861 20 0 HCADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000619827313 1078945315 /nfs/dbraw/zinc/94/53/15/1078945315.db2.gz JBLKNMBDHKLJPP-QGZVFWFLSA-N 1 0 415.538 0.861 20 0 HCADRO COC(=O)c1c(F)cc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1F ZINC000619829061 1078947104 /nfs/dbraw/zinc/94/71/04/1078947104.db2.gz JVKQOXLADIFYEE-UHFFFAOYSA-N 1 0 412.437 0.832 20 0 HCADRO COC(=O)c1c(F)cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1F ZINC000619830767 1078947065 /nfs/dbraw/zinc/94/70/65/1078947065.db2.gz XVXBDSWTSSNOLJ-AWEZNQCLSA-N 1 0 424.448 0.928 20 0 HCADRO COC(=O)c1c(F)cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1F ZINC000619830768 1078947079 /nfs/dbraw/zinc/94/70/79/1078947079.db2.gz XVXBDSWTSSNOLJ-CQSZACIVSA-N 1 0 424.448 0.928 20 0 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KGACOTFEFFEQRY-MRXNPFEDSA-N 1 0 419.526 0.742 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000620560821 1079015729 /nfs/dbraw/zinc/01/57/29/1079015729.db2.gz UECBPJBCUZVWSU-INIZCTEOSA-N 1 0 403.527 0.859 20 0 HCADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000620560822 1079015639 /nfs/dbraw/zinc/01/56/39/1079015639.db2.gz UECBPJBCUZVWSU-MRXNPFEDSA-N 1 0 403.527 0.859 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000620560829 1079015830 /nfs/dbraw/zinc/01/58/30/1079015830.db2.gz VLHMSVQJKOBSLE-AWEZNQCLSA-N 1 0 423.539 0.942 20 0 HCADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000620560830 1079015813 /nfs/dbraw/zinc/01/58/13/1079015813.db2.gz VLHMSVQJKOBSLE-CQSZACIVSA-N 1 0 423.539 0.942 20 0 HCADRO CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000620601339 1079019729 /nfs/dbraw/zinc/01/97/29/1079019729.db2.gz YPFCRAPLYMPUMG-UHFFFAOYSA-N 1 0 408.568 0.980 20 0 HCADRO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000620602663 1079017432 /nfs/dbraw/zinc/01/74/32/1079017432.db2.gz KPFLWDAJEAOELD-UHFFFAOYSA-N 1 0 407.496 0.621 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000620603967 1079017549 /nfs/dbraw/zinc/01/75/49/1079017549.db2.gz GVJRBBAMMGDXOD-UHFFFAOYSA-N 1 0 408.462 0.967 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000620603983 1079017573 /nfs/dbraw/zinc/01/75/73/1079017573.db2.gz PGYDYIWJPDIDBG-UHFFFAOYSA-N 1 0 417.535 0.730 20 0 HCADRO CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000620604853 1079017350 /nfs/dbraw/zinc/01/73/50/1079017350.db2.gz QMUAMWGRRLNMQV-UHFFFAOYSA-N 1 0 417.535 0.980 20 0 HCADRO COCCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000620618319 1079020236 /nfs/dbraw/zinc/02/02/36/1079020236.db2.gz BPCACRMCBJKUGJ-UHFFFAOYSA-N 1 0 411.524 0.690 20 0 HCADRO Cc1ccc(S(=O)(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1C(N)=O ZINC000620623783 1079020723 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0.057 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000620631531 1079020746 /nfs/dbraw/zinc/02/07/46/1079020746.db2.gz JPPGQFLVXQWIRC-UHFFFAOYSA-N 1 0 418.542 0.518 20 0 HCADRO COCC(=O)NC1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000620631619 1079021319 /nfs/dbraw/zinc/02/13/19/1079021319.db2.gz VEQJJLAHEXPDGQ-UHFFFAOYSA-N 1 0 404.515 0.270 20 0 HCADRO CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000620636078 1079021339 /nfs/dbraw/zinc/02/13/39/1079021339.db2.gz OANMUQDLHINCGS-IBGZPJMESA-N 1 0 408.568 0.592 20 0 HCADRO CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000620636079 1079021691 /nfs/dbraw/zinc/02/16/91/1079021691.db2.gz OANMUQDLHINCGS-LJQANCHMSA-N 1 0 408.568 0.592 20 0 HCADRO CS(=O)(=O)N1CCN(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000620636115 1079020274 /nfs/dbraw/zinc/02/02/74/1079020274.db2.gz VIUDVAGQFCIZLP-UHFFFAOYSA-N 1 0 408.568 0.592 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCC[N@H+](C)C1CC1 ZINC000620636992 1079021611 /nfs/dbraw/zinc/02/16/11/1079021611.db2.gz WVCUVXKLDKUNFZ-SFHVURJKSA-N 1 0 411.524 0.971 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000620641065 1079021622 /nfs/dbraw/zinc/02/16/22/1079021622.db2.gz SEMSFUHOCDJEIS-INIZCTEOSA-N 1 0 410.540 0.746 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000620641066 1079021642 /nfs/dbraw/zinc/02/16/42/1079021642.db2.gz SEMSFUHOCDJEIS-MRXNPFEDSA-N 1 0 410.540 0.746 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000620642248 1079021734 /nfs/dbraw/zinc/02/17/34/1079021734.db2.gz QHFFHCWUUPKQGY-INIZCTEOSA-N 1 0 412.556 0.822 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000620642249 1079021632 /nfs/dbraw/zinc/02/16/32/1079021632.db2.gz QHFFHCWUUPKQGY-MRXNPFEDSA-N 1 0 412.556 0.822 20 0 HCADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000620642632 1079021620 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ZINC000620820668 1079031129 /nfs/dbraw/zinc/03/11/29/1079031129.db2.gz UDRXADGSKFIEJW-DLBZAZTESA-N 1 0 410.540 0.590 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000620820679 1079031750 /nfs/dbraw/zinc/03/17/50/1079031750.db2.gz UDRXADGSKFIEJW-IAGOWNOFSA-N 1 0 410.540 0.590 20 0 HCADRO Cc1ccc([C@H](CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000620820680 1079031826 /nfs/dbraw/zinc/03/18/26/1079031826.db2.gz UDRXADGSKFIEJW-IRXDYDNUSA-N 1 0 410.540 0.590 20 0 HCADRO Cc1ccc([C@H](CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000620820681 1079031682 /nfs/dbraw/zinc/03/16/82/1079031682.db2.gz UDRXADGSKFIEJW-SJORKVTESA-N 1 0 410.540 0.590 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccco1 ZINC000620822045 1079031249 /nfs/dbraw/zinc/03/12/49/1079031249.db2.gz IXDRRLWYXQDSRC-HNNXBMFYSA-N 1 0 401.533 0.796 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccco1 ZINC000620822051 1079031156 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1 0 405.499 0.088 20 0 HCADRO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000620831029 1079032569 /nfs/dbraw/zinc/03/25/69/1079032569.db2.gz HKSDCNVHAYDAGQ-CQSZACIVSA-N 1 0 405.499 0.088 20 0 HCADRO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000620835604 1079033534 /nfs/dbraw/zinc/03/35/34/1079033534.db2.gz FSIMKECCTQBKAW-MRXNPFEDSA-N 1 0 417.510 0.232 20 0 HCADRO COc1ccc(NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)c(OC)n1 ZINC000620837390 1079033902 /nfs/dbraw/zinc/03/39/02/1079033902.db2.gz GEFKABMJWVCLQR-UHFFFAOYSA-N 1 0 414.466 0.501 20 0 HCADRO CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000620837843 1079033985 /nfs/dbraw/zinc/03/39/85/1079033985.db2.gz ACRNDMDFDJDWMD-UHFFFAOYSA-N 1 0 424.505 0.377 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000620837859 1079034053 /nfs/dbraw/zinc/03/40/53/1079034053.db2.gz HLUUNKBTWNWCCS-UHFFFAOYSA-N 1 0 414.441 0.326 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000620837866 1079034438 /nfs/dbraw/zinc/03/44/38/1079034438.db2.gz NNDWIRPVDIAGSK-UHFFFAOYSA-N 1 0 424.461 0.419 20 0 HCADRO Cc1nn(C)c2ncc(NC(=O)C(=O)NCc3cccnc3N3CC[NH+](C)CC3)cc12 ZINC000620837873 1079034328 /nfs/dbraw/zinc/03/43/28/1079034328.db2.gz UBWKBUADFZNUEJ-UHFFFAOYSA-N 1 0 422.493 0.678 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c2ccccc2O1 ZINC000620839801 1079034408 /nfs/dbraw/zinc/03/44/08/1079034408.db2.gz ZIAYZVMWNDLICY-CRAIPNDOSA-N 1 0 402.495 0.763 20 0 HCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c2ccccc2O1 ZINC000620839802 1079034371 /nfs/dbraw/zinc/03/43/71/1079034371.db2.gz ZIAYZVMWNDLICY-MAUKXSAKSA-N 1 0 402.495 0.763 20 0 HCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c2ccccc2O1 ZINC000620839803 1079034423 /nfs/dbraw/zinc/03/44/23/1079034423.db2.gz ZIAYZVMWNDLICY-QAPCUYQASA-N 1 0 402.495 0.763 20 0 HCADRO 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CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000620845453 1079036000 /nfs/dbraw/zinc/03/60/00/1079036000.db2.gz KFBXFHQVDYRJFF-MRXNPFEDSA-N 1 0 402.495 0.944 20 0 HCADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)C1 ZINC000620845474 1079035818 /nfs/dbraw/zinc/03/58/18/1079035818.db2.gz OZUAEEYZQBBKSY-GOSISDBHSA-N 1 0 416.522 0.873 20 0 HCADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)C1 ZINC000620845475 1079035919 /nfs/dbraw/zinc/03/59/19/1079035919.db2.gz OZUAEEYZQBBKSY-SFHVURJKSA-N 1 0 416.522 0.873 20 0 HCADRO Cn1c2ncn(CCC(=O)N(CC[NH+](C)C)C3CCCCC3)c2c(=O)n(C)c1=O ZINC000620856754 1079035265 /nfs/dbraw/zinc/03/52/65/1079035265.db2.gz SCBFHYMMBYNDJF-UHFFFAOYSA-N 1 0 404.515 0.547 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC3CC[NH+](C)CC3)c2)CC1 ZINC000620879618 1079037190 /nfs/dbraw/zinc/03/71/90/1079037190.db2.gz RDIPUQLGTLWBJR-UHFFFAOYSA-N 1 0 408.524 0.363 20 0 HCADRO NS(=O)(=O)N1CCC(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000620910027 1079038951 /nfs/dbraw/zinc/03/89/51/1079038951.db2.gz PQAXHZPGSXACLH-UHFFFAOYSA-N 1 0 406.552 0.951 20 0 HCADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c(F)c1 ZINC000620945418 1079041144 /nfs/dbraw/zinc/04/11/44/1079041144.db2.gz CPBXJBHEIYCLHC-UHFFFAOYSA-N 1 0 414.503 0.863 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000620995132 1080488208 /nfs/dbraw/zinc/48/82/08/1080488208.db2.gz CNEXRBQSRXVFBF-UHFFFAOYSA-N 1 0 400.321 0.952 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000620995528 1079046644 /nfs/dbraw/zinc/04/66/44/1079046644.db2.gz CMIHWPSZVSTRCB-UHFFFAOYSA-N 1 0 401.467 0.420 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 ZINC000620996390 1079046795 /nfs/dbraw/zinc/04/67/95/1079046795.db2.gz JBOYIYCNHMRDRV-UHFFFAOYSA-N 1 0 424.567 0.308 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000620996396 1079046691 /nfs/dbraw/zinc/04/66/91/1079046691.db2.gz NETGOWUKMPDIME-KRWDZBQOSA-N 1 0 401.511 0.347 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000620996397 1079046747 /nfs/dbraw/zinc/04/67/47/1079046747.db2.gz NETGOWUKMPDIME-QGZVFWFLSA-N 1 0 401.511 0.347 20 0 HCADRO Cc1c(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cccc1-n1cnnn1 ZINC000621000021 1079046754 /nfs/dbraw/zinc/04/67/54/1079046754.db2.gz NZBNVXVGKNKWTI-UHFFFAOYSA-N 1 0 400.487 0.892 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000621016826 1079048716 /nfs/dbraw/zinc/04/87/16/1079048716.db2.gz VWBJLEQXYNKCJR-UHFFFAOYSA-N 1 0 401.511 0.613 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc2)CC1 ZINC000621016854 1079048762 /nfs/dbraw/zinc/04/87/62/1079048762.db2.gz XZBBFOBUNUZKQU-UHFFFAOYSA-N 1 0 403.527 0.859 20 0 HCADRO CC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000621017463 1079049223 /nfs/dbraw/zinc/04/92/23/1079049223.db2.gz OOIXNUKPMDKPLH-LJQANCHMSA-N 1 0 403.527 0.996 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000621018448 1079049636 /nfs/dbraw/zinc/04/96/36/1079049636.db2.gz MYFVKTGHVBHFAQ-UHFFFAOYSA-N 1 0 415.538 0.955 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000621019661 1079049836 /nfs/dbraw/zinc/04/98/36/1079049836.db2.gz YZZQBMUBRSCDHM-GOSISDBHSA-N 1 0 401.511 0.613 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000621019662 1079049720 /nfs/dbraw/zinc/04/97/20/1079049720.db2.gz YZZQBMUBRSCDHM-SFHVURJKSA-N 1 0 401.511 0.613 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc2)CC1 ZINC000621021177 1080492454 /nfs/dbraw/zinc/49/24/54/1080492454.db2.gz SPXUHGPKBWJFCS-INIZCTEOSA-N 1 0 403.527 0.859 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc2)CC1 ZINC000621021178 1080492555 /nfs/dbraw/zinc/49/25/55/1080492555.db2.gz SPXUHGPKBWJFCS-MRXNPFEDSA-N 1 0 403.527 0.859 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC000621023537 1080493434 /nfs/dbraw/zinc/49/34/34/1080493434.db2.gz CBQANJCYOWUVHW-UHFFFAOYSA-N 1 0 413.482 0.122 20 0 HCADRO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000621023554 1079050528 /nfs/dbraw/zinc/05/05/28/1079050528.db2.gz OIJXYWAYFOMUEK-UHFFFAOYSA-N 1 0 417.510 0.291 20 0 HCADRO CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000621023570 1079050673 /nfs/dbraw/zinc/05/06/73/1079050673.db2.gz UWULKSGNNUKPDX-UHFFFAOYSA-N 1 0 417.510 0.524 20 0 HCADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000621062173 1079052831 /nfs/dbraw/zinc/05/28/31/1079052831.db2.gz CAFMWXXPUSOWDC-UHFFFAOYSA-N 1 0 401.577 0.775 20 0 HCADRO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000621079286 1079053281 /nfs/dbraw/zinc/05/32/81/1079053281.db2.gz RWKSKGIVTAAUFB-UHFFFAOYSA-N 1 0 418.494 0.659 20 0 HCADRO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000621080027 1079053247 /nfs/dbraw/zinc/05/32/47/1079053247.db2.gz SPWYEXDPTKPCQS-OAHLLOKOSA-N 1 0 404.467 0.317 20 0 HCADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 ZINC000621251590 1079060278 /nfs/dbraw/zinc/06/02/78/1079060278.db2.gz JIFFIGMLOYGJSO-INIZCTEOSA-N 1 0 412.556 0.896 20 0 HCADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 ZINC000621251591 1079060186 /nfs/dbraw/zinc/06/01/86/1079060186.db2.gz JIFFIGMLOYGJSO-MRXNPFEDSA-N 1 0 412.556 0.896 20 0 HCADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000621260306 1079060800 /nfs/dbraw/zinc/06/08/00/1079060800.db2.gz BVFNPXWLWKZUOX-UHFFFAOYSA-N 1 0 412.556 0.992 20 0 HCADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)N2CC[NH2+]CC2)C(C)C)c1 ZINC000621462827 1079066080 /nfs/dbraw/zinc/06/60/80/1079066080.db2.gz GAIQUUNSXVTXDW-GOSISDBHSA-N 1 0 424.567 0.903 20 0 HCADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N2CC[NH2+]CC2)C(C)C)c1 ZINC000621462828 1079065953 /nfs/dbraw/zinc/06/59/53/1079065953.db2.gz GAIQUUNSXVTXDW-SFHVURJKSA-N 1 0 424.567 0.903 20 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C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCN3CC[NH2+]CC3)c2)C[C@@H](C)O1 ZINC000621475081 1079066373 /nfs/dbraw/zinc/06/63/73/1079066373.db2.gz DGNTVRPEKIRPGI-HZPDHXFCSA-N 1 0 410.540 0.120 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCN3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000621475082 1079066499 /nfs/dbraw/zinc/06/64/99/1079066499.db2.gz DGNTVRPEKIRPGI-IYBDPMFKSA-N 1 0 410.540 0.120 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000621476283 1079066971 /nfs/dbraw/zinc/06/69/71/1079066971.db2.gz RIPFODDONMXNQL-UHFFFAOYSA-N 1 0 410.540 0.311 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCC[C@H](CO)C3)CC2)cc1 ZINC000621477032 1079066919 /nfs/dbraw/zinc/06/69/19/1079066919.db2.gz NKEPHHKHDLVLTR-MSOLQXFVSA-N 1 0 409.552 0.921 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCC[C@@H](CO)C3)CC2)cc1 ZINC000621477033 1079067064 /nfs/dbraw/zinc/06/70/64/1079067064.db2.gz NKEPHHKHDLVLTR-QZTJIDSGSA-N 1 0 409.552 0.921 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCC[C@H](CO)C3)CC2)cc1 ZINC000621477034 1079067061 /nfs/dbraw/zinc/06/70/61/1079067061.db2.gz NKEPHHKHDLVLTR-ROUUACIJSA-N 1 0 409.552 0.921 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCC[C@@H](CO)C3)CC2)cc1 ZINC000621477035 1079066981 /nfs/dbraw/zinc/06/69/81/1079066981.db2.gz NKEPHHKHDLVLTR-ZWKOTPCHSA-N 1 0 409.552 0.921 20 0 HCADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000621521399 1079067311 /nfs/dbraw/zinc/06/73/11/1079067311.db2.gz GFTHHAKBNSXAEC-UHFFFAOYSA-N 1 0 412.490 0.128 20 0 HCADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000621629410 1079071584 /nfs/dbraw/zinc/07/15/84/1079071584.db2.gz XIOCIHPPLLDPGS-QZTJIDSGSA-N 1 0 404.511 0.713 20 0 HCADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000621629411 1079071514 /nfs/dbraw/zinc/07/15/14/1079071514.db2.gz XIOCIHPPLLDPGS-ROUUACIJSA-N 1 0 404.511 0.713 20 0 HCADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000621629412 1079071940 /nfs/dbraw/zinc/07/19/40/1079071940.db2.gz XIOCIHPPLLDPGS-ZWKOTPCHSA-N 1 0 404.511 0.713 20 0 HCADRO COc1cccc([C@@H](CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[NH+](C)C)c1 ZINC000621631332 1079071972 /nfs/dbraw/zinc/07/19/72/1079071972.db2.gz FJTOAZMYNAQUTR-AZUAARDMSA-N 1 0 418.538 0.595 20 0 HCADRO COc1cccc([C@H](CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[NH+](C)C)c1 ZINC000621631333 1079071930 /nfs/dbraw/zinc/07/19/30/1079071930.db2.gz FJTOAZMYNAQUTR-ICSRJNTNSA-N 1 0 418.538 0.595 20 0 HCADRO COc1cccc([C@H](CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[NH+](C)C)c1 ZINC000621631334 1079071853 /nfs/dbraw/zinc/07/18/53/1079071853.db2.gz FJTOAZMYNAQUTR-QUCCMNQESA-N 1 0 418.538 0.595 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(F)c1 ZINC000621631394 1079071985 /nfs/dbraw/zinc/07/19/85/1079071985.db2.gz UUYDMPBEOVROLJ-HKUYNNGSSA-N 1 0 406.502 0.725 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(F)c1 ZINC000621631395 1079071883 /nfs/dbraw/zinc/07/18/83/1079071883.db2.gz UUYDMPBEOVROLJ-MJGOQNOKSA-N 1 0 406.502 0.725 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(F)c1 ZINC000621631396 1079071805 /nfs/dbraw/zinc/07/18/05/1079071805.db2.gz UUYDMPBEOVROLJ-PKOBYXMFSA-N 1 0 406.502 0.725 20 0 HCADRO O=C(CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)Nc1ccc(Cl)cc1 ZINC000621646895 1079073199 /nfs/dbraw/zinc/07/31/99/1079073199.db2.gz XAAFZMCEENCZJV-AWEZNQCLSA-N 1 0 408.886 0.575 20 0 HCADRO Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[NH+](C)C)cc1 ZINC000621652493 1079073670 /nfs/dbraw/zinc/07/36/70/1079073670.db2.gz KJOOOCFCWYOUIG-PMACEKPBSA-N 1 0 402.539 0.895 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[NH+](C)C)cc1 ZINC000621652494 1079073693 /nfs/dbraw/zinc/07/36/93/1079073693.db2.gz KJOOOCFCWYOUIG-VQTJNVASSA-N 1 0 402.539 0.895 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[NH+](C)C)cc1 ZINC000621652495 1079073507 /nfs/dbraw/zinc/07/35/07/1079073507.db2.gz KJOOOCFCWYOUIG-WOJBJXKFSA-N 1 0 402.539 0.895 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccco1 ZINC000621652549 1079073607 /nfs/dbraw/zinc/07/36/07/1079073607.db2.gz YAIAJPZMEJFSIZ-MSOLQXFVSA-N 1 0 406.527 0.959 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccco1 ZINC000621652550 1079073588 /nfs/dbraw/zinc/07/35/88/1079073588.db2.gz YAIAJPZMEJFSIZ-ROUUACIJSA-N 1 0 406.527 0.959 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccco1 ZINC000621652551 1080692613 /nfs/dbraw/zinc/69/26/13/1080692613.db2.gz YAIAJPZMEJFSIZ-ZWKOTPCHSA-N 1 0 406.527 0.959 20 0 HCADRO CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000621701690 1079074072 /nfs/dbraw/zinc/07/40/72/1079074072.db2.gz CHLJMIMAEPAAJA-UHFFFAOYSA-N 1 0 423.583 0.659 20 0 HCADRO C[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000621701905 1079074397 /nfs/dbraw/zinc/07/43/97/1079074397.db2.gz GKZXQNZGIGRRIF-QGZVFWFLSA-N 1 0 423.583 0.310 20 0 HCADRO CS(=O)(=O)N1CCN(CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000621702532 1079074445 /nfs/dbraw/zinc/07/44/45/1079074445.db2.gz BSIFGBALDWVYGG-UHFFFAOYSA-N 1 0 423.583 0.659 20 0 HCADRO CS(=O)(=O)N1CCN(CCNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000621702626 1079074373 /nfs/dbraw/zinc/07/43/73/1079074373.db2.gz VZUFYBIKGDFPPB-UHFFFAOYSA-N 1 0 423.583 0.311 20 0 HCADRO CS(=O)(=O)N1CCN(CCNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000621704471 1079074825 /nfs/dbraw/zinc/07/48/25/1079074825.db2.gz RPNATRKCPZIHHS-IBGZPJMESA-N 1 0 423.583 0.527 20 0 HCADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000621704723 1079074847 /nfs/dbraw/zinc/07/48/47/1079074847.db2.gz PLYQLISXVXHGRT-HKUYNNGSSA-N 1 0 423.583 0.698 20 0 HCADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000621704724 1079074808 /nfs/dbraw/zinc/07/48/08/1079074808.db2.gz PLYQLISXVXHGRT-IEBWSBKVSA-N 1 0 423.583 0.698 20 0 HCADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000621704725 1079074879 /nfs/dbraw/zinc/07/48/79/1079074879.db2.gz PLYQLISXVXHGRT-MJGOQNOKSA-N 1 0 423.583 0.698 20 0 HCADRO CN(C)S(=O)(=O)N1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000621845006 1079078665 /nfs/dbraw/zinc/07/86/65/1079078665.db2.gz OHWNLJXMSBQQAX-UHFFFAOYSA-N 1 0 413.544 0.261 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)ccc2oc1=O ZINC000621953050 1079082916 /nfs/dbraw/zinc/08/29/16/1079082916.db2.gz XKVPAZMJSSGJRO-AWEZNQCLSA-N 1 0 410.496 0.909 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000621977996 1079084324 /nfs/dbraw/zinc/08/43/24/1079084324.db2.gz HXYHQIQMDYYNRF-KRWDZBQOSA-N 1 0 416.526 0.085 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000621977997 1079084204 /nfs/dbraw/zinc/08/42/04/1079084204.db2.gz HXYHQIQMDYYNRF-QGZVFWFLSA-N 1 0 416.526 0.085 20 0 HCADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000622062046 1079088755 /nfs/dbraw/zinc/08/87/55/1079088755.db2.gz IYAIXAXYPJMNMW-KBPBESRZSA-N 1 0 409.508 0.868 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000622064382 1079088691 /nfs/dbraw/zinc/08/86/91/1079088691.db2.gz RXUUNOMXHNGZGR-IBGZPJMESA-N 1 0 418.538 0.424 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000622064383 1079088773 /nfs/dbraw/zinc/08/87/73/1079088773.db2.gz RXUUNOMXHNGZGR-LJQANCHMSA-N 1 0 418.538 0.424 20 0 HCADRO CC(C)NC(=O)CN1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000622144865 1079097063 /nfs/dbraw/zinc/09/70/63/1079097063.db2.gz UTSRYANRYXSSKH-UHFFFAOYSA-N 1 0 405.543 0.979 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000622144880 1079096938 /nfs/dbraw/zinc/09/69/38/1079096938.db2.gz YIQDMNFUSBNHBJ-UHFFFAOYSA-N 1 0 403.527 0.733 20 0 HCADRO CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000622162146 1079097525 /nfs/dbraw/zinc/09/75/25/1079097525.db2.gz KUDWORJCQAHPHQ-GOSISDBHSA-N 1 0 423.535 0.883 20 0 HCADRO CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000622162147 1079097446 /nfs/dbraw/zinc/09/74/46/1079097446.db2.gz KUDWORJCQAHPHQ-SFHVURJKSA-N 1 0 423.535 0.883 20 0 HCADRO CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000622162201 1079097456 /nfs/dbraw/zinc/09/74/56/1079097456.db2.gz ZNIGROWMFQQGKX-KRWDZBQOSA-N 1 0 423.535 0.883 20 0 HCADRO CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000622162202 1079097418 /nfs/dbraw/zinc/09/74/18/1079097418.db2.gz ZNIGROWMFQQGKX-QGZVFWFLSA-N 1 0 423.535 0.883 20 0 HCADRO CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000622162204 1079097483 /nfs/dbraw/zinc/09/74/83/1079097483.db2.gz ZWRIXTFKHRFYAR-GOSISDBHSA-N 1 0 423.535 0.883 20 0 HCADRO CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000622162205 1079097434 /nfs/dbraw/zinc/09/74/34/1079097434.db2.gz ZWRIXTFKHRFYAR-SFHVURJKSA-N 1 0 423.535 0.883 20 0 HCADRO CCN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000622164697 1079097999 /nfs/dbraw/zinc/09/79/99/1079097999.db2.gz KHZYNAMKHPIWNT-AWEZNQCLSA-N 1 0 404.467 0.980 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCCCn3ccnc3)cc21 ZINC000622167564 1079097973 /nfs/dbraw/zinc/09/79/73/1079097973.db2.gz SMUVLLUAPFKRHO-UHFFFAOYSA-N 1 0 414.466 0.888 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC(=O)NC3CCCC3)ccc2oc1=O ZINC000622242548 1079100374 /nfs/dbraw/zinc/10/03/74/1079100374.db2.gz MAKIMKGGLCHMSW-UHFFFAOYSA-N 1 0 417.466 0.270 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC(=O)NC3CCCC3)c2)CC1 ZINC000622243243 1079100390 /nfs/dbraw/zinc/10/03/90/1079100390.db2.gz DKGFWKDXAJZUCU-UHFFFAOYSA-N 1 0 401.511 0.548 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC(=O)NC3CCCC3)cc2)CC1 ZINC000622243589 1079100849 /nfs/dbraw/zinc/10/08/49/1079100849.db2.gz TYLVYRKIIUMKSG-UHFFFAOYSA-N 1 0 415.538 0.938 20 0 HCADRO C[NH+](C)CCn1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000622281933 1079102992 /nfs/dbraw/zinc/10/29/92/1079102992.db2.gz YDBPDKREAWVJCN-UHFFFAOYSA-N 1 0 405.524 0.733 20 0 HCADRO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000622295661 1079104094 /nfs/dbraw/zinc/10/40/94/1079104094.db2.gz MABXASCOZROQPH-GOSISDBHSA-N 1 0 414.572 0.505 20 0 HCADRO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000622295662 1079104158 /nfs/dbraw/zinc/10/41/58/1079104158.db2.gz MABXASCOZROQPH-SFHVURJKSA-N 1 0 414.572 0.505 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000622328139 1079105458 /nfs/dbraw/zinc/10/54/58/1079105458.db2.gz JFJNSJJWCDUNJL-UHFFFAOYSA-N 1 0 414.514 0.614 20 0 HCADRO CN(C)[C@@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1cncn1C ZINC000622328495 1079105523 /nfs/dbraw/zinc/10/55/23/1079105523.db2.gz 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C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000623171638 1079189614 /nfs/dbraw/zinc/18/96/14/1079189614.db2.gz XZMYWADCIQFXPW-MOPGFXCFSA-N 1 0 415.538 0.690 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000623171639 1079189868 /nfs/dbraw/zinc/18/98/68/1079189868.db2.gz XZMYWADCIQFXPW-OALUTQOASA-N 1 0 415.538 0.690 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000623171640 1079190086 /nfs/dbraw/zinc/19/00/86/1079190086.db2.gz XZMYWADCIQFXPW-RBUKOAKNSA-N 1 0 415.538 0.690 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000623171641 1079189715 /nfs/dbraw/zinc/18/97/15/1079189715.db2.gz XZMYWADCIQFXPW-RTBURBONSA-N 1 0 415.538 0.690 20 0 HCADRO Cn1c2ncn(CC[NH+]3CCC(C(=O)c4ccc(O)cc4)CC3)c2c(=O)n(C)c1=O ZINC000623172707 1079191353 /nfs/dbraw/zinc/19/13/53/1079191353.db2.gz LFPGZGMDBOOMCA-UHFFFAOYSA-N 1 0 411.462 0.734 20 0 HCADRO C[N@@H+]1CCCN(CCCNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000623192424 1079196555 /nfs/dbraw/zinc/19/65/55/1079196555.db2.gz RTGLOPWOEJQXPI-UHFFFAOYSA-N 1 0 403.570 0.933 20 0 HCADRO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)C2=O ZINC000623203805 1079193622 /nfs/dbraw/zinc/19/36/22/1079193622.db2.gz LLOMCRPNMFKHKE-JERHATOGSA-N 1 0 419.526 0.428 20 0 HCADRO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)C2=O ZINC000623203806 1079193754 /nfs/dbraw/zinc/19/37/54/1079193754.db2.gz LLOMCRPNMFKHKE-PKAMJGAUSA-N 1 0 419.526 0.428 20 0 HCADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)C2=O ZINC000623203921 1079193546 /nfs/dbraw/zinc/19/35/46/1079193546.db2.gz PJHKZCTXRQTBKL-IUSZMWJPSA-N 1 0 419.526 0.428 20 0 HCADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)C2=O ZINC000623203922 1079192964 /nfs/dbraw/zinc/19/29/64/1079192964.db2.gz PJHKZCTXRQTBKL-IVZHQMGZSA-N 1 0 419.526 0.428 20 0 HCADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)C2=O ZINC000623203923 1079192899 /nfs/dbraw/zinc/19/28/99/1079192899.db2.gz PJHKZCTXRQTBKL-NVAPDCRFSA-N 1 0 419.526 0.428 20 0 HCADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)C2=O ZINC000623203924 1079192858 /nfs/dbraw/zinc/19/28/58/1079192858.db2.gz PJHKZCTXRQTBKL-ZJTDPSCFSA-N 1 0 419.526 0.428 20 0 HCADRO CN(CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000623203977 1079192937 /nfs/dbraw/zinc/19/29/37/1079192937.db2.gz SLGKFVPLWLHQPC-KRWDZBQOSA-N 1 0 408.524 0.248 20 0 HCADRO CN(CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000623203978 1079192884 /nfs/dbraw/zinc/19/28/84/1079192884.db2.gz SLGKFVPLWLHQPC-QGZVFWFLSA-N 1 0 408.524 0.248 20 0 HCADRO COc1ccc(N2C[C@H](C(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)CC2=O)cc1 ZINC000623204015 1079192662 /nfs/dbraw/zinc/19/26/62/1079192662.db2.gz UZIAFQSRYWGPBK-BEFAXECRSA-N 1 0 414.506 0.989 20 0 HCADRO COc1ccc(N2C[C@H](C(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)CC2=O)cc1 ZINC000623204016 1079193710 /nfs/dbraw/zinc/19/37/10/1079193710.db2.gz UZIAFQSRYWGPBK-DNVCBOLYSA-N 1 0 414.506 0.989 20 0 HCADRO COc1ccc(N2C[C@@H](C(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)CC2=O)cc1 ZINC000623204017 1079193442 /nfs/dbraw/zinc/19/34/42/1079193442.db2.gz UZIAFQSRYWGPBK-HNAYVOBHSA-N 1 0 414.506 0.989 20 0 HCADRO COc1ccc(N2C[C@@H](C(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)CC2=O)cc1 ZINC000623204018 1079193748 /nfs/dbraw/zinc/19/37/48/1079193748.db2.gz UZIAFQSRYWGPBK-KXBFYZLASA-N 1 0 414.506 0.989 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000623204185 1079193583 /nfs/dbraw/zinc/19/35/83/1079193583.db2.gz XOBGGRBYNKTYIE-KRWDZBQOSA-N 1 0 408.524 0.491 20 0 HCADRO CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000623204186 1079193733 /nfs/dbraw/zinc/19/37/33/1079193733.db2.gz XOBGGRBYNKTYIE-QGZVFWFLSA-N 1 0 408.524 0.491 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000623204225 1079197441 /nfs/dbraw/zinc/19/74/41/1079197441.db2.gz ZCCGVYHKKYFVGH-AEFFLSMTSA-N 1 0 405.543 0.855 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000623204226 1079197303 /nfs/dbraw/zinc/19/73/03/1079197303.db2.gz ZCCGVYHKKYFVGH-FUHWJXTLSA-N 1 0 405.543 0.855 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000623204227 1079197146 /nfs/dbraw/zinc/19/71/46/1079197146.db2.gz ZCCGVYHKKYFVGH-SJLPKXTDSA-N 1 0 405.543 0.855 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000623204228 1079197598 /nfs/dbraw/zinc/19/75/98/1079197598.db2.gz ZCCGVYHKKYFVGH-WMZOPIPTSA-N 1 0 405.543 0.855 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000623204995 1079192803 /nfs/dbraw/zinc/19/28/03/1079192803.db2.gz AAZXNHHCFKJUKL-KRWDZBQOSA-N 1 0 408.524 0.491 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000623204996 1079192592 /nfs/dbraw/zinc/19/25/92/1079192592.db2.gz AAZXNHHCFKJUKL-QGZVFWFLSA-N 1 0 408.524 0.491 20 0 HCADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000623205009 1079192983 /nfs/dbraw/zinc/19/29/83/1079192983.db2.gz AHTKBBMHDBSWGE-GOSISDBHSA-N 1 0 422.551 0.848 20 0 HCADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000623205010 1079192996 /nfs/dbraw/zinc/19/29/96/1079192996.db2.gz AHTKBBMHDBSWGE-SFHVURJKSA-N 1 0 422.551 0.848 20 0 HCADRO CCOc1ccccc1C(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000623205037 1079197026 /nfs/dbraw/zinc/19/70/26/1079197026.db2.gz BBUOXGCERLWLNS-KRWDZBQOSA-N 1 0 402.495 0.756 20 0 HCADRO CCOc1ccccc1C(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000623205038 1079197403 /nfs/dbraw/zinc/19/74/03/1079197403.db2.gz BBUOXGCERLWLNS-QGZVFWFLSA-N 1 0 402.495 0.756 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000623205069 1079197517 /nfs/dbraw/zinc/19/75/17/1079197517.db2.gz CPVXWAYZKKJHQO-GOSISDBHSA-N 1 0 420.535 0.682 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000623205070 1079197563 /nfs/dbraw/zinc/19/75/63/1079197563.db2.gz CPVXWAYZKKJHQO-SFHVURJKSA-N 1 0 420.535 0.682 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000623205085 1079197083 /nfs/dbraw/zinc/19/70/83/1079197083.db2.gz DAOJTGPQYUBAHF-KRWDZBQOSA-N 1 0 413.478 0.433 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000623205086 1079197208 /nfs/dbraw/zinc/19/72/08/1079197208.db2.gz DAOJTGPQYUBAHF-QGZVFWFLSA-N 1 0 413.478 0.433 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1OC ZINC000623205127 1079195446 /nfs/dbraw/zinc/19/54/46/1079195446.db2.gz FPIRCNJURKKKSV-HNNXBMFYSA-N 1 0 424.523 0.158 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1OC ZINC000623205128 1079195688 /nfs/dbraw/zinc/19/56/88/1079195688.db2.gz FPIRCNJURKKKSV-OAHLLOKOSA-N 1 0 424.523 0.158 20 0 HCADRO CCn1c(=O)[nH]c2cc(C(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)ccc2c1=O ZINC000623205297 1079198990 /nfs/dbraw/zinc/19/89/90/1079198990.db2.gz KFQVTJWORIVUAZ-KRWDZBQOSA-N 1 0 413.478 0.676 20 0 HCADRO CCn1c(=O)[nH]c2cc(C(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)ccc2c1=O ZINC000623205298 1079199079 /nfs/dbraw/zinc/19/90/79/1079199079.db2.gz KFQVTJWORIVUAZ-QGZVFWFLSA-N 1 0 413.478 0.676 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000623205325 1079199001 /nfs/dbraw/zinc/19/90/01/1079199001.db2.gz KZRQTUYWTAXFAK-GOSISDBHSA-N 1 0 420.535 0.781 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000623205326 1079198848 /nfs/dbraw/zinc/19/88/48/1079198848.db2.gz KZRQTUYWTAXFAK-SFHVURJKSA-N 1 0 420.535 0.781 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000623205333 1079199215 /nfs/dbraw/zinc/19/92/15/1079199215.db2.gz LELJVRSMHRZDNG-BBWFWOEESA-N 1 0 404.511 0.492 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000623205334 1079199139 /nfs/dbraw/zinc/19/91/39/1079199139.db2.gz LELJVRSMHRZDNG-IXDOHACOSA-N 1 0 404.511 0.492 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000623205335 1079198895 /nfs/dbraw/zinc/19/88/95/1079198895.db2.gz LELJVRSMHRZDNG-ULQDDVLXSA-N 1 0 404.511 0.492 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000623205336 1079199046 /nfs/dbraw/zinc/19/90/46/1079199046.db2.gz LELJVRSMHRZDNG-ZACQAIPSSA-N 1 0 404.511 0.492 20 0 HCADRO COc1ccc(C(=O)NCC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1OC ZINC000623205361 1079199284 /nfs/dbraw/zinc/19/92/84/1079199284.db2.gz LTNDEHUJXYJVHY-INIZCTEOSA-N 1 0 418.494 0.374 20 0 HCADRO COc1ccc(C(=O)NCC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1OC ZINC000623205362 1079199167 /nfs/dbraw/zinc/19/91/67/1079199167.db2.gz LTNDEHUJXYJVHY-MRXNPFEDSA-N 1 0 418.494 0.374 20 0 HCADRO CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000623205379 1079199022 /nfs/dbraw/zinc/19/90/22/1079199022.db2.gz MOKYTIUKBYLNTA-GOSISDBHSA-N 1 0 422.551 0.928 20 0 HCADRO CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000623205380 1079198806 /nfs/dbraw/zinc/19/88/06/1079198806.db2.gz MOKYTIUKBYLNTA-SFHVURJKSA-N 1 0 422.551 0.928 20 0 HCADRO CCNS(=O)(=O)c1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000623205385 1079198021 /nfs/dbraw/zinc/19/80/21/1079198021.db2.gz MTFFRVYPVZXJQP-KRWDZBQOSA-N 1 0 408.524 0.539 20 0 HCADRO CCNS(=O)(=O)c1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000623205386 1079197906 /nfs/dbraw/zinc/19/79/06/1079197906.db2.gz MTFFRVYPVZXJQP-QGZVFWFLSA-N 1 0 408.524 0.539 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCN2c3ccccc3OCC2=O)CC1 ZINC000623205393 1079198207 /nfs/dbraw/zinc/19/82/07/1079198207.db2.gz NBXLFLAUYXMAMU-KRWDZBQOSA-N 1 0 400.479 0.743 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCN2c3ccccc3OCC2=O)CC1 ZINC000623205394 1079198228 /nfs/dbraw/zinc/19/82/28/1079198228.db2.gz NBXLFLAUYXMAMU-QGZVFWFLSA-N 1 0 400.479 0.743 20 0 HCADRO C[C@H]1Oc2ccccc2N(CC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000623205397 1079198419 /nfs/dbraw/zinc/19/84/19/1079198419.db2.gz NFTRDSBVKNGNCH-PBHICJAKSA-N 1 0 400.479 0.741 20 0 HCADRO C[C@H]1Oc2ccccc2N(CC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000623205398 1079197940 /nfs/dbraw/zinc/19/79/40/1079197940.db2.gz NFTRDSBVKNGNCH-RHSMWYFYSA-N 1 0 400.479 0.741 20 0 HCADRO C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000623205399 1079198180 /nfs/dbraw/zinc/19/81/80/1079198180.db2.gz NFTRDSBVKNGNCH-WMLDXEAASA-N 1 0 400.479 0.741 20 0 HCADRO C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000623205400 1079199190 /nfs/dbraw/zinc/19/91/90/1079199190.db2.gz NFTRDSBVKNGNCH-YOEHRIQHSA-N 1 0 400.479 0.741 20 0 HCADRO CS(=O)(=O)N1CCc2cc(C(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)ccc21 ZINC000623205527 1079198770 /nfs/dbraw/zinc/19/87/70/1079198770.db2.gz RTUDJTIOYIMREM-GOSISDBHSA-N 1 0 420.535 0.563 20 0 HCADRO CS(=O)(=O)N1CCc2cc(C(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)ccc21 ZINC000623205528 1079197979 /nfs/dbraw/zinc/19/79/79/1079197979.db2.gz RTUDJTIOYIMREM-SFHVURJKSA-N 1 0 420.535 0.563 20 0 HCADRO CCOc1ccc(C(=O)NCC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000623205533 1079198251 /nfs/dbraw/zinc/19/82/51/1079198251.db2.gz SAKMOYZSEFCKKW-GOSISDBHSA-N 1 0 402.495 0.756 20 0 HCADRO CCOc1ccc(C(=O)NCC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000623205534 1079198144 /nfs/dbraw/zinc/19/81/44/1079198144.db2.gz SAKMOYZSEFCKKW-SFHVURJKSA-N 1 0 402.495 0.756 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000623205553 1079198301 /nfs/dbraw/zinc/19/83/01/1079198301.db2.gz SOVJEIZHVIKFNI-GOSISDBHSA-N 1 0 420.535 0.682 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000623205554 1079198476 /nfs/dbraw/zinc/19/84/76/1079198476.db2.gz SOVJEIZHVIKFNI-SFHVURJKSA-N 1 0 420.535 0.682 20 0 HCADRO CNS(=O)(=O)c1ccc(CCC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000623205765 1079198361 /nfs/dbraw/zinc/19/83/61/1079198361.db2.gz XGCVCBMLLWECNM-GOSISDBHSA-N 1 0 422.551 0.468 20 0 HCADRO CNS(=O)(=O)c1ccc(CCC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000623205766 1079198102 /nfs/dbraw/zinc/19/81/02/1079198102.db2.gz XGCVCBMLLWECNM-SFHVURJKSA-N 1 0 422.551 0.468 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000623205909 1079198330 /nfs/dbraw/zinc/19/83/30/1079198330.db2.gz ZAKKONCPPDKROQ-HNNXBMFYSA-N 1 0 402.451 0.086 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000623205910 1079198392 /nfs/dbraw/zinc/19/83/92/1079198392.db2.gz ZAKKONCPPDKROQ-OAHLLOKOSA-N 1 0 402.451 0.086 20 0 HCADRO CN1C(=O)N(CC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C(=O)C12CCCCC2 ZINC000623205935 1079198272 /nfs/dbraw/zinc/19/82/72/1079198272.db2.gz ZMWANAUROKZSBW-INIZCTEOSA-N 1 0 419.526 0.524 20 0 HCADRO CN1C(=O)N(CC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C(=O)C12CCCCC2 ZINC000623205936 1079198439 /nfs/dbraw/zinc/19/84/39/1079198439.db2.gz ZMWANAUROKZSBW-MRXNPFEDSA-N 1 0 419.526 0.524 20 0 HCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)CCc3nc(-c4nc[nH]n4)no3)cc21 ZINC000623230359 1079201209 /nfs/dbraw/zinc/20/12/09/1079201209.db2.gz QNLMYCLXGOIAHE-UHFFFAOYSA-N 1 0 412.410 0.896 20 0 HCADRO CCC[NH+]1CCC(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000623412238 1079219407 /nfs/dbraw/zinc/21/94/07/1079219407.db2.gz NLNHSGMPHXNPIO-UHFFFAOYSA-N 1 0 412.556 0.898 20 0 HCADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000623486491 1079224394 /nfs/dbraw/zinc/22/43/94/1079224394.db2.gz KFAODRPIXDARQU-HNNXBMFYSA-N 1 0 411.524 0.973 20 0 HCADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000623486492 1079224328 /nfs/dbraw/zinc/22/43/28/1079224328.db2.gz KFAODRPIXDARQU-OAHLLOKOSA-N 1 0 411.524 0.973 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000623507833 1079224799 /nfs/dbraw/zinc/22/47/99/1079224799.db2.gz OREUBRGZYSRQKF-HDICACEKSA-N 1 0 423.583 0.767 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000623507834 1079224823 /nfs/dbraw/zinc/22/48/23/1079224823.db2.gz OREUBRGZYSRQKF-QZTJIDSGSA-N 1 0 423.583 0.767 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000623507835 1079225224 /nfs/dbraw/zinc/22/52/24/1079225224.db2.gz OREUBRGZYSRQKF-ROUUACIJSA-N 1 0 423.583 0.767 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000623509352 1074805009 /nfs/dbraw/zinc/80/50/09/1074805009.db2.gz AXUSPPBYXLBHMV-FGTMMUONSA-N 1 0 400.589 0.818 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000623509353 1079225025 /nfs/dbraw/zinc/22/50/25/1079225025.db2.gz AXUSPPBYXLBHMV-KSZLIROESA-N 1 0 400.589 0.818 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000623509354 1074804906 /nfs/dbraw/zinc/80/49/06/1074804906.db2.gz AXUSPPBYXLBHMV-KURKYZTESA-N 1 0 400.589 0.818 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000623509355 1079225320 /nfs/dbraw/zinc/22/53/20/1079225320.db2.gz AXUSPPBYXLBHMV-KZNAEPCWSA-N 1 0 400.589 0.818 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)[NH+]1CCCC1 ZINC000623560242 1075602440 /nfs/dbraw/zinc/60/24/40/1075602440.db2.gz DFIDQAHAPKZLGC-HNNXBMFYSA-N 1 0 401.511 0.927 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)[NH+]1CCCC1 ZINC000623560243 1079228303 /nfs/dbraw/zinc/22/83/03/1079228303.db2.gz DFIDQAHAPKZLGC-OAHLLOKOSA-N 1 0 401.511 0.927 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C1 ZINC000623568428 1079229347 /nfs/dbraw/zinc/22/93/47/1079229347.db2.gz ORPZWUWMHKRNFS-KRWDZBQOSA-N 1 0 404.536 0.953 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C1 ZINC000623568429 1079229515 /nfs/dbraw/zinc/22/95/15/1079229515.db2.gz ORPZWUWMHKRNFS-QGZVFWFLSA-N 1 0 404.536 0.953 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000623583247 1079230592 /nfs/dbraw/zinc/23/05/92/1079230592.db2.gz RRPJPVWZDXNRSA-GASCZTMLSA-N 1 0 419.501 0.880 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000623583248 1079230663 /nfs/dbraw/zinc/23/06/63/1079230663.db2.gz RRPJPVWZDXNRSA-GJZGRUSLSA-N 1 0 419.501 0.880 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000623583249 1079230525 /nfs/dbraw/zinc/23/05/25/1079230525.db2.gz RRPJPVWZDXNRSA-HUUCEWRRSA-N 1 0 419.501 0.880 20 0 HCADRO O=C(CN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1)N1CCOCC1 ZINC000623628790 1079235251 /nfs/dbraw/zinc/23/52/51/1079235251.db2.gz JTAIENJQKWLVEQ-FQEVSTJZSA-N 1 0 415.538 0.297 20 0 HCADRO O=C(CN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1)N1CCOCC1 ZINC000623628791 1079235053 /nfs/dbraw/zinc/23/50/53/1079235053.db2.gz JTAIENJQKWLVEQ-HXUWFJFHSA-N 1 0 415.538 0.297 20 0 HCADRO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000623647172 1079234955 /nfs/dbraw/zinc/23/49/55/1079234955.db2.gz BRNDEQYUZUAZFY-MOPGFXCFSA-N 1 0 406.552 0.625 20 0 HCADRO O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000623647173 1079235190 /nfs/dbraw/zinc/23/51/90/1079235190.db2.gz BRNDEQYUZUAZFY-OALUTQOASA-N 1 0 406.552 0.625 20 0 HCADRO O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000623647174 1079235163 /nfs/dbraw/zinc/23/51/63/1079235163.db2.gz BRNDEQYUZUAZFY-RBUKOAKNSA-N 1 0 406.552 0.625 20 0 HCADRO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000623647175 1079234998 /nfs/dbraw/zinc/23/49/98/1079234998.db2.gz BRNDEQYUZUAZFY-RTBURBONSA-N 1 0 406.552 0.625 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000623701713 1079238123 /nfs/dbraw/zinc/23/81/23/1079238123.db2.gz CEOFWCVMBBINHT-UHFFFAOYSA-N 1 0 416.570 0.660 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000623736478 1079247701 /nfs/dbraw/zinc/24/77/01/1079247701.db2.gz KOUCVGWMBHKULC-CQSZACIVSA-N 1 0 414.553 0.134 20 0 HCADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCCN3CCS(=O)(=O)CC3)cc2)CC1 ZINC000623737466 1079249146 /nfs/dbraw/zinc/24/91/46/1079249146.db2.gz RXCLTUPZDKGFSM-UHFFFAOYSA-N 1 0 408.568 0.677 20 0 HCADRO CC(C)(C)CC[NH+]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000623768622 1079262380 /nfs/dbraw/zinc/26/23/80/1079262380.db2.gz IIJXEDICTBUGAU-UHFFFAOYSA-N 1 0 403.593 0.327 20 0 HCADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000623768730 1079262246 /nfs/dbraw/zinc/26/22/46/1079262246.db2.gz SHFMJRQXEPKFAU-UHFFFAOYSA-N 1 0 411.572 0.337 20 0 HCADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000623768776 1079262735 /nfs/dbraw/zinc/26/27/35/1079262735.db2.gz WUVYVDYOCXBQJE-UHFFFAOYSA-N 1 0 403.593 0.325 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC000623769490 1079263523 /nfs/dbraw/zinc/26/35/23/1079263523.db2.gz AFHFXONHJUOPGU-HNNXBMFYSA-N 1 0 403.574 0.227 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC000623769491 1079263472 /nfs/dbraw/zinc/26/34/72/1079263472.db2.gz AFHFXONHJUOPGU-OAHLLOKOSA-N 1 0 403.574 0.227 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000623769508 1079263367 /nfs/dbraw/zinc/26/33/67/1079263367.db2.gz ATPQYMWPFRFYIB-KRWDZBQOSA-N 1 0 403.593 0.517 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000623769509 1079263576 /nfs/dbraw/zinc/26/35/76/1079263576.db2.gz ATPQYMWPFRFYIB-QGZVFWFLSA-N 1 0 403.593 0.517 20 0 HCADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)o1 ZINC000623769588 1079263417 /nfs/dbraw/zinc/26/34/17/1079263417.db2.gz DSCLQSIVCOUSND-UHFFFAOYSA-N 1 0 415.560 0.238 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)CC(C)C ZINC000623769600 1079263552 /nfs/dbraw/zinc/26/35/52/1079263552.db2.gz DZTQJSUYOVAOIJ-KRWDZBQOSA-N 1 0 405.609 0.619 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)CC(C)C ZINC000623769601 1079263350 /nfs/dbraw/zinc/26/33/50/1079263350.db2.gz DZTQJSUYOVAOIJ-QGZVFWFLSA-N 1 0 405.609 0.619 20 0 HCADRO CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000623769631 1079263639 /nfs/dbraw/zinc/26/36/39/1079263639.db2.gz GBEIVEFOAKYNDZ-UHFFFAOYSA-N 1 0 423.583 0.659 20 0 HCADRO CC[NH+](CC)CC1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000623769706 1079262715 /nfs/dbraw/zinc/26/27/15/1079262715.db2.gz IYOXDKUGEHOPGT-UHFFFAOYSA-N 1 0 403.593 0.327 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000623769711 1079262763 /nfs/dbraw/zinc/26/27/63/1079262763.db2.gz JKFIJRLDMAEYAR-GOSISDBHSA-N 1 0 411.572 0.036 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000623769712 1079262733 /nfs/dbraw/zinc/26/27/33/1079262733.db2.gz JKFIJRLDMAEYAR-SFHVURJKSA-N 1 0 411.572 0.036 20 0 HCADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000623769722 1079262844 /nfs/dbraw/zinc/26/28/44/1079262844.db2.gz JTFDLIUPRNQILP-KRWDZBQOSA-N 1 0 403.593 0.375 20 0 HCADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000623769723 1079262768 /nfs/dbraw/zinc/26/27/68/1079262768.db2.gz JTFDLIUPRNQILP-QGZVFWFLSA-N 1 0 403.593 0.375 20 0 HCADRO CCCC[N@H+](C)CC1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000623769877 1079264580 /nfs/dbraw/zinc/26/45/80/1079264580.db2.gz QVEVWPMIKPNRBQ-UHFFFAOYSA-N 1 0 417.620 0.717 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000623769889 1079264552 /nfs/dbraw/zinc/26/45/52/1079264552.db2.gz ROEKWQBYKRMPRC-CALCHBBNSA-N 1 0 403.593 0.231 20 0 HCADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000623769890 1079264495 /nfs/dbraw/zinc/26/44/95/1079264495.db2.gz ROEKWQBYKRMPRC-IAGOWNOFSA-N 1 0 403.593 0.231 20 0 HCADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000623769891 1079264681 /nfs/dbraw/zinc/26/46/81/1079264681.db2.gz ROEKWQBYKRMPRC-IRXDYDNUSA-N 1 0 403.593 0.231 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000623769897 1079264469 /nfs/dbraw/zinc/26/44/69/1079264469.db2.gz RZKOQPSASCHLDR-KRWDZBQOSA-N 1 0 415.535 0.305 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000623769898 1079264788 /nfs/dbraw/zinc/26/47/88/1079264788.db2.gz RZKOQPSASCHLDR-QGZVFWFLSA-N 1 0 415.535 0.305 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000623770015 1079264055 /nfs/dbraw/zinc/26/40/55/1079264055.db2.gz XHTOLQGCUNTWPB-GOSISDBHSA-N 1 0 411.572 0.036 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000623770016 1079264098 /nfs/dbraw/zinc/26/40/98/1079264098.db2.gz XHTOLQGCUNTWPB-SFHVURJKSA-N 1 0 411.572 0.036 20 0 HCADRO CC1CC[NH+](CCCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000623770029 1079264128 /nfs/dbraw/zinc/26/41/28/1079264128.db2.gz XRRGZKQQYMQQIY-UHFFFAOYSA-N 1 0 403.593 0.375 20 0 HCADRO CC(C)[C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[NH+]1CCCCCC1 ZINC000623770043 1079264032 /nfs/dbraw/zinc/26/40/32/1079264032.db2.gz YGJIDFOOBRNCTB-GOSISDBHSA-N 1 0 417.620 0.763 20 0 HCADRO CC(C)[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[NH+]1CCCCCC1 ZINC000623770044 1079264089 /nfs/dbraw/zinc/26/40/89/1079264089.db2.gz YGJIDFOOBRNCTB-SFHVURJKSA-N 1 0 417.620 0.763 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000623770060 1079264003 /nfs/dbraw/zinc/26/40/03/1079264003.db2.gz YZLZSADKJXYLJE-HDICACEKSA-N 1 0 417.620 0.621 20 0 HCADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000623770061 1079264117 /nfs/dbraw/zinc/26/41/17/1079264117.db2.gz YZLZSADKJXYLJE-QZTJIDSGSA-N 1 0 417.620 0.621 20 0 HCADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000623770062 1079264049 /nfs/dbraw/zinc/26/40/49/1079264049.db2.gz YZLZSADKJXYLJE-ROUUACIJSA-N 1 0 417.620 0.621 20 0 HCADRO C[C@@H]1CCC[C@](CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC000623771072 1079265094 /nfs/dbraw/zinc/26/50/94/1079265094.db2.gz DCWNXJWYAVQXHR-AEFFLSMTSA-N 1 0 403.593 0.373 20 0 HCADRO C[C@H]1CCC[C@@](CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC000623771073 1079265148 /nfs/dbraw/zinc/26/51/48/1079265148.db2.gz DCWNXJWYAVQXHR-FUHWJXTLSA-N 1 0 403.593 0.373 20 0 HCADRO C[C@@H]1CCC[C@@](CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC000623771074 1079265200 /nfs/dbraw/zinc/26/52/00/1079265200.db2.gz DCWNXJWYAVQXHR-SJLPKXTDSA-N 1 0 403.593 0.373 20 0 HCADRO C[C@H]1CCC[C@](CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC000623771075 1079265636 /nfs/dbraw/zinc/26/56/36/1079265636.db2.gz DCWNXJWYAVQXHR-WMZOPIPTSA-N 1 0 403.593 0.373 20 0 HCADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000623771496 1079264611 /nfs/dbraw/zinc/26/46/11/1079264611.db2.gz XMQDMUGSPMTBBM-UHFFFAOYSA-N 1 0 405.609 0.573 20 0 HCADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 ZINC000623771555 1079264512 /nfs/dbraw/zinc/26/45/12/1079264512.db2.gz ZJXXYVKSKNMNAV-UHFFFAOYSA-N 1 0 411.572 0.515 20 0 HCADRO CCN1CCN(CC(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)C(=O)C1=O ZINC000623822213 1079272459 /nfs/dbraw/zinc/27/24/59/1079272459.db2.gz MSQAERKKEHGZFQ-INIZCTEOSA-N 1 0 415.494 0.013 20 0 HCADRO CCN1CCN(CC(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)C(=O)C1=O ZINC000623822214 1079272411 /nfs/dbraw/zinc/27/24/11/1079272411.db2.gz MSQAERKKEHGZFQ-MRXNPFEDSA-N 1 0 415.494 0.013 20 0 HCADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000623830044 1079272624 /nfs/dbraw/zinc/27/26/24/1079272624.db2.gz MUXAPKRSVAMOHZ-UHFFFAOYSA-N 1 0 405.524 0.964 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)COc3ccc(S(N)(=O)=O)cc3)ccn2)CC1 ZINC000623841968 1079273712 /nfs/dbraw/zinc/27/37/12/1079273712.db2.gz QFSRSSTWQOCRFX-UHFFFAOYSA-N 1 0 419.507 0.176 20 0 HCADRO NS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000623843028 1079273876 /nfs/dbraw/zinc/27/38/76/1079273876.db2.gz OLOYCRICQCJOOY-UHFFFAOYSA-N 1 0 404.492 0.889 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)COc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000623843029 1079274514 /nfs/dbraw/zinc/27/45/14/1079274514.db2.gz OQSGNAHBBYKUEH-UHFFFAOYSA-N 1 0 407.492 0.970 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000623949999 1079276833 /nfs/dbraw/zinc/27/68/33/1079276833.db2.gz HFPJGWQSMGSIIP-KRWDZBQOSA-N 1 0 421.523 0.976 20 0 HCADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000623950001 1079276949 /nfs/dbraw/zinc/27/69/49/1079276949.db2.gz HFPJGWQSMGSIIP-QGZVFWFLSA-N 1 0 421.523 0.976 20 0 HCADRO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(S(N)(=O)=O)cc3)cn2)CC1 ZINC000624029707 1079280750 /nfs/dbraw/zinc/28/07/50/1079280750.db2.gz DYWHYSBQYLDQOX-UHFFFAOYSA-N 1 0 405.480 0.498 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)COc3ccc(S(N)(=O)=O)cc3)cn2)CC1 ZINC000624029744 1079280649 /nfs/dbraw/zinc/28/06/49/1079280649.db2.gz MBRQAFFFSPKEDD-UHFFFAOYSA-N 1 0 419.507 0.176 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)COc2ccc(S(N)(=O)=O)cc2)c1 ZINC000624039396 1079282412 /nfs/dbraw/zinc/28/24/12/1079282412.db2.gz RMEDZZDCZAVPDA-UHFFFAOYSA-N 1 0 407.492 0.970 20 0 HCADRO NS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000624040810 1079282498 /nfs/dbraw/zinc/28/24/98/1079282498.db2.gz NCNFBJQNGJDZBK-UHFFFAOYSA-N 1 0 404.492 0.889 20 0 HCADRO NS(=O)(=O)c1cnn(CCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000624050350 1079284212 /nfs/dbraw/zinc/28/42/12/1079284212.db2.gz UPTKHEWYMCWXQZ-UHFFFAOYSA-N 1 0 405.524 0.949 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000624244473 1079295508 /nfs/dbraw/zinc/29/55/08/1079295508.db2.gz RCACBQNVDOOXPI-UHFFFAOYSA-N 1 0 419.507 0.176 20 0 HCADRO NS(=O)(=O)c1cnn(CCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000624245144 1079295528 /nfs/dbraw/zinc/29/55/28/1079295528.db2.gz DHILHFWNPTUTNF-KRWDZBQOSA-N 1 0 405.524 0.949 20 0 HCADRO NS(=O)(=O)c1cnn(CCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000624245145 1079295407 /nfs/dbraw/zinc/29/54/07/1079295407.db2.gz DHILHFWNPTUTNF-QGZVFWFLSA-N 1 0 405.524 0.949 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000624246780 1079294784 /nfs/dbraw/zinc/29/47/84/1079294784.db2.gz SZLWLROZONYABW-UHFFFAOYSA-N 1 0 407.492 0.970 20 0 HCADRO CN1CCC([NH+]2CCC(NC(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000624247746 1079294837 /nfs/dbraw/zinc/29/48/37/1079294837.db2.gz BLDSPBYTZJITAU-UHFFFAOYSA-N 1 0 410.540 0.388 20 0 HCADRO CC[NH+](CC)CCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000624258992 1079297509 /nfs/dbraw/zinc/29/75/09/1079297509.db2.gz IKTZRRUBIUBREO-UHFFFAOYSA-N 1 0 400.545 0.898 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000624268789 1079509679 /nfs/dbraw/zinc/50/96/79/1079509679.db2.gz ZPUHDEXLLQQMPG-HNNXBMFYSA-N 1 0 412.556 0.725 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000624268790 1079509665 /nfs/dbraw/zinc/50/96/65/1079509665.db2.gz ZPUHDEXLLQQMPG-OAHLLOKOSA-N 1 0 412.556 0.725 20 0 HCADRO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC[NH+](C)CC1 ZINC000624269808 1079513447 /nfs/dbraw/zinc/51/34/47/1079513447.db2.gz PZGMYCRZXNLFOG-AWEZNQCLSA-N 1 0 408.524 0.267 20 0 HCADRO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC[NH+](C)CC1 ZINC000624269809 1079513202 /nfs/dbraw/zinc/51/32/02/1079513202.db2.gz PZGMYCRZXNLFOG-CQSZACIVSA-N 1 0 408.524 0.267 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)cn1C ZINC000624270514 1079513141 /nfs/dbraw/zinc/51/31/41/1079513141.db2.gz AEODSQZXIDJJOR-AWEZNQCLSA-N 1 0 411.572 0.976 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)cn1C ZINC000624270515 1079513335 /nfs/dbraw/zinc/51/33/35/1079513335.db2.gz AEODSQZXIDJJOR-CQSZACIVSA-N 1 0 411.572 0.976 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C1 ZINC000624426608 1080022773 /nfs/dbraw/zinc/02/27/73/1080022773.db2.gz NAYJJSNXSWDDGF-KRWDZBQOSA-N 1 0 414.510 0.289 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C1 ZINC000624426609 1080022957 /nfs/dbraw/zinc/02/29/57/1080022957.db2.gz NAYJJSNXSWDDGF-QGZVFWFLSA-N 1 0 414.510 0.289 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCC[N@H+](C)CC1 ZINC000624519089 1080035445 /nfs/dbraw/zinc/03/54/45/1080035445.db2.gz VGHGFGIOVDIUIK-SFHVURJKSA-N 1 0 411.524 0.925 20 0 HCADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000624529553 1080037831 /nfs/dbraw/zinc/03/78/31/1080037831.db2.gz DWJFFSAVAFSIDC-DOTOQJQBSA-N 1 0 408.524 0.746 20 0 HCADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000624529554 1080037901 /nfs/dbraw/zinc/03/79/01/1080037901.db2.gz DWJFFSAVAFSIDC-NVXWUHKLSA-N 1 0 408.524 0.746 20 0 HCADRO CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000624529555 1080037620 /nfs/dbraw/zinc/03/76/20/1080037620.db2.gz DWJFFSAVAFSIDC-RDJZCZTQSA-N 1 0 408.524 0.746 20 0 HCADRO CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000624529556 1080037519 /nfs/dbraw/zinc/03/75/19/1080037519.db2.gz DWJFFSAVAFSIDC-WBVHZDCISA-N 1 0 408.524 0.746 20 0 HCADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000624530949 1080037776 /nfs/dbraw/zinc/03/77/76/1080037776.db2.gz DQGIXMXZJXKDOC-GOSISDBHSA-N 1 0 422.551 0.789 20 0 HCADRO CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000624530950 1080037788 /nfs/dbraw/zinc/03/77/88/1080037788.db2.gz DQGIXMXZJXKDOC-SFHVURJKSA-N 1 0 422.551 0.789 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cn1 ZINC000624540853 1080038575 /nfs/dbraw/zinc/03/85/75/1080038575.db2.gz DPFDRLRRKURHME-UHFFFAOYSA-N 1 0 422.511 0.181 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cn1 ZINC000624540901 1080038662 /nfs/dbraw/zinc/03/86/62/1080038662.db2.gz XGYTYTQGRWHBOV-UHFFFAOYSA-N 1 0 404.496 0.978 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000624559090 1080041304 /nfs/dbraw/zinc/04/13/04/1080041304.db2.gz CYUMVNBSSLFUOT-AWEZNQCLSA-N 1 0 403.574 0.227 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000624559091 1080041139 /nfs/dbraw/zinc/04/11/39/1080041139.db2.gz CYUMVNBSSLFUOT-CQSZACIVSA-N 1 0 403.574 0.227 20 0 HCADRO CS(=O)(=O)N1CCN(CCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000624559113 1080040285 /nfs/dbraw/zinc/04/02/85/1080040285.db2.gz WUXHWXXVDOSRKY-INIZCTEOSA-N 1 0 413.544 0.293 20 0 HCADRO CS(=O)(=O)N1CCN(CCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000624559114 1080040301 /nfs/dbraw/zinc/04/03/01/1080040301.db2.gz WUXHWXXVDOSRKY-MRXNPFEDSA-N 1 0 413.544 0.293 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000624565547 1080041695 /nfs/dbraw/zinc/04/16/95/1080041695.db2.gz BUTONJRHVKYKHU-INIZCTEOSA-N 1 0 408.524 0.410 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000624565549 1080041712 /nfs/dbraw/zinc/04/17/12/1080041712.db2.gz BUTONJRHVKYKHU-MRXNPFEDSA-N 1 0 408.524 0.410 20 0 HCADRO Cc1nc(S(=O)(=O)NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cn1C ZINC000624576911 1080044729 /nfs/dbraw/zinc/04/47/29/1080044729.db2.gz DPCXLADMUZOMNB-UHFFFAOYSA-N 1 0 405.524 0.919 20 0 HCADRO COc1cc(CNC(=O)CS(=O)(=O)NC(C)(C)C)ccc1OCC[NH+](C)C ZINC000624646238 1080061308 /nfs/dbraw/zinc/06/13/08/1080061308.db2.gz JJICPBPSQPNBBI-UHFFFAOYSA-N 1 0 401.529 0.970 20 0 HCADRO C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000624647038 1080061274 /nfs/dbraw/zinc/06/12/74/1080061274.db2.gz HBFUEYROWDRYED-AWEZNQCLSA-N 1 0 403.458 0.315 20 0 HCADRO C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000624647040 1080061160 /nfs/dbraw/zinc/06/11/60/1080061160.db2.gz HBFUEYROWDRYED-CQSZACIVSA-N 1 0 403.458 0.315 20 0 HCADRO O=C(CNC(=O)c1cnc2ccccc2c1O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000624744232 1080282699 /nfs/dbraw/zinc/28/26/99/1080282699.db2.gz MSWQFDHXAVQYCO-INIZCTEOSA-N 1 0 412.490 0.971 20 0 HCADRO O=C(CNC(=O)c1cnc2ccccc2c1O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000624744238 1080282659 /nfs/dbraw/zinc/28/26/59/1080282659.db2.gz MSWQFDHXAVQYCO-MRXNPFEDSA-N 1 0 412.490 0.971 20 0 HCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC(C)(C)C[NH+](C)C)c2)CC1 ZINC000625040171 1081375494 /nfs/dbraw/zinc/37/54/94/1081375494.db2.gz XWHFSAMRFGMNST-UHFFFAOYSA-N 1 0 424.567 0.857 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000625040684 1081375457 /nfs/dbraw/zinc/37/54/57/1081375457.db2.gz VLYLWLGAVLDYJN-UHFFFAOYSA-N 1 0 400.545 0.583 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC[C@H](C)[NH+](C)C)CC2)cc1 ZINC000642174523 1074390218 /nfs/dbraw/zinc/39/02/18/1074390218.db2.gz XDISNTTUUCZYOG-KRWDZBQOSA-N 1 0 424.567 0.674 20 0 HCADRO C[C@H]1C[NH+](CCCNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C[C@H](C)O1 ZINC000642206926 1074674485 /nfs/dbraw/zinc/67/44/85/1074674485.db2.gz NPVDOKRYUNJERZ-GJZGRUSLSA-N 1 0 402.503 0.351 20 0 HCADRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000642213746 1074762520 /nfs/dbraw/zinc/76/25/20/1074762520.db2.gz MQGCVMQBDHMGDJ-UHFFFAOYSA-N 1 0 400.439 0.143 20 0 HCADRO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000642219190 1074806360 /nfs/dbraw/zinc/80/63/60/1074806360.db2.gz JIPBIRBNSGJBMZ-OAHLLOKOSA-N 1 0 410.540 0.609 20 0 HCADRO CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 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/nfs/dbraw/zinc/38/45/14/1077384514.db2.gz VEPOMQDHBFMRPA-OTWHNJEPSA-N 1 0 419.547 0.803 20 0 HCADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000642267437 1077384942 /nfs/dbraw/zinc/38/49/42/1077384942.db2.gz VEPOMQDHBFMRPA-QRVBRYPASA-N 1 0 419.547 0.803 20 0 HCADRO CN1CC[N@H+](CCCNC(=O)C2CCN(S(N)(=O)=O)CC2)[C@H](c2ccccc2)C1 ZINC000642320794 1077704185 /nfs/dbraw/zinc/70/41/85/1077704185.db2.gz CVPPYDUQEBFWNM-IBGZPJMESA-N 1 0 423.583 0.397 20 0 HCADRO CSc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CC2=O)cc1 ZINC000642355003 1078011010 /nfs/dbraw/zinc/01/10/10/1078011010.db2.gz KPOUOLKQGPLHDB-OAHLLOKOSA-N 1 0 404.536 0.994 20 0 HCADRO Cc1nnc(SCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)n1Cc1ccccc1 ZINC000642355032 1078011968 /nfs/dbraw/zinc/01/19/68/1078011968.db2.gz QOAUQFODVHMPMK-UHFFFAOYSA-N 1 0 416.551 0.959 20 0 HCADRO C[NH+]1CCN(CCNC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000642610250 1080051643 /nfs/dbraw/zinc/05/16/43/1080051643.db2.gz SWJQJVFKAWAGRD-UHFFFAOYSA-N 1 0 408.300 0.523 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000642613685 1080087627 /nfs/dbraw/zinc/08/76/27/1080087627.db2.gz NRPDQRJNHUDJGU-AWEZNQCLSA-N 1 0 414.528 0.529 20 0 HCADRO COc1cc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc(OC)c1OCC(N)=O ZINC000646321183 1073516805 /nfs/dbraw/zinc/51/68/05/1073516805.db2.gz IDZTYQLBFOEJJM-AWEZNQCLSA-N 1 0 421.494 0.893 20 0 HCADRO CC(C)C[C@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646419668 1074592039 /nfs/dbraw/zinc/59/20/39/1074592039.db2.gz KAENUWHZGNPUEH-OWCLPIDISA-N 1 0 404.502 0.646 20 0 HCADRO CC(C)C[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646419669 1074591912 /nfs/dbraw/zinc/59/19/12/1074591912.db2.gz KAENUWHZGNPUEH-PMPSAXMXSA-N 1 0 404.502 0.646 20 0 HCADRO CC(C)C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646419877 1074592401 /nfs/dbraw/zinc/59/24/01/1074592401.db2.gz WSEJKFHPMUHKDF-SJORKVTESA-N 1 0 416.588 0.351 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@H]([NH+](C)C)[C@@H]3C)CC2)cc1 ZINC000646476147 1074785655 /nfs/dbraw/zinc/78/56/55/1074785655.db2.gz OFZHOUJHESATKW-HKUYNNGSSA-N 1 0 408.568 0.852 20 0 HCADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000646686968 1077283408 /nfs/dbraw/zinc/28/34/08/1077283408.db2.gz IMFNAWNIGGJWLP-UHFFFAOYSA-N 1 0 418.519 0.944 20 0 HCADRO CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000646785641 1077331279 /nfs/dbraw/zinc/33/12/79/1077331279.db2.gz YZNXJBRJBCULBA-MSOLQXFVSA-N 1 0 424.553 0.667 20 0 HCADRO C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000646789579 1077333721 /nfs/dbraw/zinc/33/37/21/1077333721.db2.gz IRMGLFNTXGSLQP-CYBMUJFWSA-N 1 0 401.508 0.151 20 0 HCADRO C[C@H](NC(=O)CNS(=O)(=O)N(C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000646789580 1077333848 /nfs/dbraw/zinc/33/38/48/1077333848.db2.gz IRMGLFNTXGSLQP-ZDUSSCGKSA-N 1 0 401.508 0.151 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)cc2)C1 ZINC000646791547 1077334829 /nfs/dbraw/zinc/33/48/29/1077334829.db2.gz XVJKSPFOOWWEIL-HZPDHXFCSA-N 1 0 423.539 0.238 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)cc2)C1 ZINC000646791548 1077334948 /nfs/dbraw/zinc/33/49/48/1077334948.db2.gz XVJKSPFOOWWEIL-JKSUJKDBSA-N 1 0 423.539 0.238 20 0 HCADRO C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3)C(=O)N1CCS(=O)(=O)CC1 ZINC000646798454 1077336624 /nfs/dbraw/zinc/33/66/24/1077336624.db2.gz ZFSICVMLMTZYKN-CYBMUJFWSA-N 1 0 418.519 0.531 20 0 HCADRO NS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000646799838 1077337343 /nfs/dbraw/zinc/33/73/43/1077337343.db2.gz KRSVOVHFWWUYEV-KRWDZBQOSA-N 1 0 410.540 0.175 20 0 HCADRO NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000646799839 1077337453 /nfs/dbraw/zinc/33/74/53/1077337453.db2.gz KRSVOVHFWWUYEV-QGZVFWFLSA-N 1 0 410.540 0.175 20 0 HCADRO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000646817034 1077368958 /nfs/dbraw/zinc/36/89/58/1077368958.db2.gz ULRMENSYIVESSZ-HNNXBMFYSA-N 1 0 404.492 0.636 20 0 HCADRO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000646817035 1077368784 /nfs/dbraw/zinc/36/87/84/1077368784.db2.gz ULRMENSYIVESSZ-OAHLLOKOSA-N 1 0 404.492 0.636 20 0 HCADRO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646824235 1077384255 /nfs/dbraw/zinc/38/42/55/1077384255.db2.gz GJTXHSDEVXJATK-LEWJYISDSA-N 1 0 414.550 0.915 20 0 HCADRO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646824236 1077384171 /nfs/dbraw/zinc/38/41/71/1077384171.db2.gz GJTXHSDEVXJATK-NHCUHLMSSA-N 1 0 414.550 0.915 20 0 HCADRO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000669637064 1073398599 /nfs/dbraw/zinc/39/85/99/1073398599.db2.gz ICHQZJHIZUAZFJ-INIZCTEOSA-N 1 0 417.510 0.938 20 0 HCADRO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000669637065 1073399001 /nfs/dbraw/zinc/39/90/01/1073399001.db2.gz ICHQZJHIZUAZFJ-MRXNPFEDSA-N 1 0 417.510 0.938 20 0 HCADRO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000669638163 1073404218 /nfs/dbraw/zinc/40/42/18/1073404218.db2.gz SLXCPRLOTWZZIY-UHFFFAOYSA-N 1 0 405.499 0.748 20 0 HCADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1(C)C ZINC000669638995 1073409288 /nfs/dbraw/zinc/40/92/88/1073409288.db2.gz SRSHYGKFWYGCCQ-UHFFFAOYSA-N 1 0 403.527 0.604 20 0 HCADRO COCCOCc1cccc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000669639011 1073409328 /nfs/dbraw/zinc/40/93/28/1073409328.db2.gz IJVJTGRGSKDLPC-UHFFFAOYSA-N 1 0 406.527 0.930 20 0 HCADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1(C)C ZINC000669639025 1073409480 /nfs/dbraw/zinc/40/94/80/1073409480.db2.gz BNQOOVHUVVPVEH-UHFFFAOYSA-N 1 0 415.538 0.890 20 0 HCADRO COCCn1ncc2ccc(NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cc21 ZINC000669639036 1073409506 /nfs/dbraw/zinc/40/95/06/1073409506.db2.gz MLJVRYLSVNSTTA-UHFFFAOYSA-N 1 0 416.526 0.763 20 0 HCADRO CN1c2ccc(NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cc2CCC1=O ZINC000669639042 1073409429 /nfs/dbraw/zinc/40/94/29/1073409429.db2.gz WLCHOKHVDRRNIP-UHFFFAOYSA-N 1 0 401.511 0.676 20 0 HCADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)CC1(C)C ZINC000669639086 1073409169 /nfs/dbraw/zinc/40/91/69/1073409169.db2.gz PDMVRYNVRQTUEP-UHFFFAOYSA-N 1 0 403.462 0.487 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000669640826 1073416542 /nfs/dbraw/zinc/41/65/42/1073416542.db2.gz YVAXLNALGPLTAU-HNNXBMFYSA-N 1 0 424.567 0.698 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669643668 1073430717 /nfs/dbraw/zinc/43/07/17/1073430717.db2.gz PXCPAWXNUTVLLD-UHFFFAOYSA-N 1 0 411.572 0.692 20 0 HCADRO NS(=O)(=O)CCN1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000669644994 1073431952 /nfs/dbraw/zinc/43/19/52/1073431952.db2.gz CCIDTCDIPGVLBR-IBGZPJMESA-N 1 0 423.583 0.514 20 0 HCADRO NS(=O)(=O)CCN1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000669644995 1073432186 /nfs/dbraw/zinc/43/21/86/1073432186.db2.gz CCIDTCDIPGVLBR-LJQANCHMSA-N 1 0 423.583 0.514 20 0 HCADRO CN1CCC([NH+]2CCC(NC(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2)CC1 ZINC000669646425 1073431251 /nfs/dbraw/zinc/43/12/51/1073431251.db2.gz JLBWPWCSFGZUEM-UHFFFAOYSA-N 1 0 423.583 0.833 20 0 HCADRO NS(=O)(=O)Cc1cccc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000669649510 1073435200 /nfs/dbraw/zinc/43/52/00/1073435200.db2.gz VZWSIWNTBDDVLB-KRWDZBQOSA-N 1 0 410.540 0.775 20 0 HCADRO NS(=O)(=O)Cc1cccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000669649511 1073435453 /nfs/dbraw/zinc/43/54/53/1073435453.db2.gz VZWSIWNTBDDVLB-QGZVFWFLSA-N 1 0 410.540 0.775 20 0 HCADRO NS(=O)(=O)Cc1cccc(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000669649780 1073438116 /nfs/dbraw/zinc/43/81/16/1073438116.db2.gz GJCJAUSFUVVJFX-UHFFFAOYSA-N 1 0 410.540 0.919 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649987 1073440274 /nfs/dbraw/zinc/44/02/74/1073440274.db2.gz CJUWMFVISLRARO-HLLBOEOZSA-N 1 0 401.577 0.172 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649988 1073439883 /nfs/dbraw/zinc/43/98/83/1073439883.db2.gz CJUWMFVISLRARO-VYDXJSESSA-N 1 0 401.577 0.172 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649989 1073440154 /nfs/dbraw/zinc/44/01/54/1073440154.db2.gz CJUWMFVISLRARO-YQQAZPJKSA-N 1 0 401.577 0.172 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649990 1073440116 /nfs/dbraw/zinc/44/01/16/1073440116.db2.gz CJUWMFVISLRARO-ZOBUZTSGSA-N 1 0 401.577 0.172 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000669650037 1073437970 /nfs/dbraw/zinc/43/79/70/1073437970.db2.gz OSOOIUGSLAYCQJ-KRWDZBQOSA-N 1 0 409.556 0.443 20 0 HCADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000669650038 1073438131 /nfs/dbraw/zinc/43/81/31/1073438131.db2.gz OSOOIUGSLAYCQJ-QGZVFWFLSA-N 1 0 409.556 0.443 20 0 HCADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000669652243 1073444819 /nfs/dbraw/zinc/44/48/19/1073444819.db2.gz DFRFMFKVTOBJIK-FTRWYGJKSA-N 1 0 407.515 0.461 20 0 HCADRO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000669652244 1073444909 /nfs/dbraw/zinc/44/49/09/1073444909.db2.gz DFRFMFKVTOBJIK-RZQQEMMASA-N 1 0 407.515 0.461 20 0 HCADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000669652245 1073445236 /nfs/dbraw/zinc/44/52/36/1073445236.db2.gz DFRFMFKVTOBJIK-TWOQFEAHSA-N 1 0 407.515 0.461 20 0 HCADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000669652246 1073445309 /nfs/dbraw/zinc/44/53/09/1073445309.db2.gz DFRFMFKVTOBJIK-YRNRMSPPSA-N 1 0 407.515 0.461 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)N2CCC(CS(N)(=O)=O)CC2)c2ccccc2)CC1 ZINC000669653513 1073452835 /nfs/dbraw/zinc/45/28/35/1073452835.db2.gz YWFREZSGOHZONR-IBGZPJMESA-N 1 0 423.583 0.685 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)N2CCC(CS(N)(=O)=O)CC2)c2ccccc2)CC1 ZINC000669653514 1073452853 /nfs/dbraw/zinc/45/28/53/1073452853.db2.gz YWFREZSGOHZONR-LJQANCHMSA-N 1 0 423.583 0.685 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669653617 1073457930 /nfs/dbraw/zinc/45/79/30/1073457930.db2.gz ADMMUIAKWLUUAG-INIZCTEOSA-N 1 0 411.572 0.548 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669653618 1073458263 /nfs/dbraw/zinc/45/82/63/1073458263.db2.gz ADMMUIAKWLUUAG-MRXNPFEDSA-N 1 0 411.572 0.548 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)NCc2cccc(CS(N)(=O)=O)c2)ccn1 ZINC000669659155 1073472700 /nfs/dbraw/zinc/47/27/00/1073472700.db2.gz OEBFQVDKCTVVEF-UHFFFAOYSA-N 1 0 421.523 0.810 20 0 HCADRO CC(C)[NH+]1CCN(CCCN2CCN(c3ccccc3S(N)(=O)=O)CC2)CC1 ZINC000669693512 1073597669 /nfs/dbraw/zinc/59/76/69/1073597669.db2.gz AYAQSFIKMIBSBE-UHFFFAOYSA-N 1 0 409.600 0.872 20 0 HCADRO O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669723337 1073880684 /nfs/dbraw/zinc/88/06/84/1073880684.db2.gz MNQQNJONTUAFTJ-HOTGVXAUSA-N 1 0 411.528 0.819 20 0 HCADRO O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669723338 1073880736 /nfs/dbraw/zinc/88/07/36/1073880736.db2.gz MNQQNJONTUAFTJ-JKSUJKDBSA-N 1 0 411.528 0.819 20 0 HCADRO CNC(=O)CNC(=O)c1cccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000669729781 1074049515 /nfs/dbraw/zinc/04/95/15/1074049515.db2.gz NTFCWWYPDDWTMR-UHFFFAOYSA-N 1 0 404.515 0.310 20 0 HCADRO CNC(=O)CNC(=O)c1cccc(NC(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000669730137 1074046012 /nfs/dbraw/zinc/04/60/12/1074046012.db2.gz QADSZWFEJRRKKQ-UHFFFAOYSA-N 1 0 404.515 0.312 20 0 HCADRO CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000669730156 1074045645 /nfs/dbraw/zinc/04/56/45/1074045645.db2.gz ULGJGVXNFYQMRD-UHFFFAOYSA-N 1 0 405.499 0.473 20 0 HCADRO CNC(=O)CNC(=O)c1cccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000669730348 1074050476 /nfs/dbraw/zinc/05/04/76/1074050476.db2.gz KGCQSBPONVWCJI-DLBZAZTESA-N 1 0 403.483 0.225 20 0 HCADRO CNC(=O)CNC(=O)c1cccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000669730350 1074051072 /nfs/dbraw/zinc/05/10/72/1074051072.db2.gz KGCQSBPONVWCJI-IRXDYDNUSA-N 1 0 403.483 0.225 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 ZINC000669742039 1074226680 /nfs/dbraw/zinc/22/66/80/1074226680.db2.gz FPGXIQYCTHNPJC-HNNXBMFYSA-N 1 0 403.483 0.092 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 ZINC000669742040 1074226459 /nfs/dbraw/zinc/22/64/59/1074226459.db2.gz FPGXIQYCTHNPJC-OAHLLOKOSA-N 1 0 403.483 0.092 20 0 HCADRO COc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(C)c(OC)c1 ZINC000669742061 1074228183 /nfs/dbraw/zinc/22/81/83/1074228183.db2.gz MPQLZQXKOLHKDE-INIZCTEOSA-N 1 0 420.510 0.473 20 0 HCADRO Cc1c(C(=O)N2CC[C@H](S(C)(=O)=O)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000669742443 1074220612 /nfs/dbraw/zinc/22/06/12/1074220612.db2.gz KMNUAGAXDBJRAN-HNNXBMFYSA-N 1 0 403.508 0.823 20 0 HCADRO Cc1c(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000669742444 1074220532 /nfs/dbraw/zinc/22/05/32/1074220532.db2.gz KMNUAGAXDBJRAN-OAHLLOKOSA-N 1 0 403.508 0.823 20 0 HCADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000669742720 1074227670 /nfs/dbraw/zinc/22/76/70/1074227670.db2.gz HAKHKNNPXDAVDE-INIZCTEOSA-N 1 0 403.483 0.090 20 0 HCADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000669742721 1074227810 /nfs/dbraw/zinc/22/78/10/1074227810.db2.gz HAKHKNNPXDAVDE-MRXNPFEDSA-N 1 0 403.483 0.090 20 0 HCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC(C4CCOCC4)C3)ccc2oc1=O ZINC000669745454 1074270606 /nfs/dbraw/zinc/27/06/06/1074270606.db2.gz YCLWLDAQXIWCPU-UHFFFAOYSA-N 1 0 416.478 0.980 20 0 HCADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000669747002 1074320751 /nfs/dbraw/zinc/32/07/51/1074320751.db2.gz BFRAWRPEGCDITN-SFHVURJKSA-N 1 0 409.552 0.963 20 0 HCADRO O=C(Nc1ccn(-c2ncccc2F)n1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669751713 1074363799 /nfs/dbraw/zinc/36/37/99/1074363799.db2.gz LBFJHOKSICVGTE-HNNXBMFYSA-N 1 0 416.457 0.916 20 0 HCADRO O=C(Nc1cnn(C[C@H]2CCCO2)c1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669751726 1074363687 /nfs/dbraw/zinc/36/36/87/1074363687.db2.gz XJJNEESHEPLWPW-FUHWJXTLSA-N 1 0 405.499 0.571 20 0 HCADRO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669751727 1074364270 /nfs/dbraw/zinc/36/42/70/1074364270.db2.gz XJJNEESHEPLWPW-WMZOPIPTSA-N 1 0 405.499 0.571 20 0 HCADRO O=C(Nc1ccc2c(c1)NC(=O)CO2)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669751732 1074364158 /nfs/dbraw/zinc/36/41/58/1074364158.db2.gz AXMLFTOWNZKJTI-AWEZNQCLSA-N 1 0 402.451 0.527 20 0 HCADRO O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669751752 1074363961 /nfs/dbraw/zinc/36/39/61/1074363961.db2.gz ZQQVIKBYODBCAT-HNNXBMFYSA-N 1 0 400.479 0.482 20 0 HCADRO Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)cc12 ZINC000669751765 1074363525 /nfs/dbraw/zinc/36/35/25/1074363525.db2.gz OAHMIPUHXXYSIX-HNNXBMFYSA-N 1 0 400.483 0.786 20 0 HCADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000669751775 1074367761 /nfs/dbraw/zinc/36/77/61/1074367761.db2.gz USVOVWJRPRBFLJ-KRWDZBQOSA-N 1 0 402.495 0.484 20 0 HCADRO CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000669751781 1074367824 /nfs/dbraw/zinc/36/78/24/1074367824.db2.gz XNEWGLFWMJVVFP-HNNXBMFYSA-N 1 0 424.523 0.104 20 0 HCADRO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669751782 1074367745 /nfs/dbraw/zinc/36/77/45/1074367745.db2.gz YBJAHHUOGXGCLN-KRWDZBQOSA-N 1 0 412.494 0.836 20 0 HCADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000669752319 1074370289 /nfs/dbraw/zinc/37/02/89/1074370289.db2.gz YORXCMHOMSXLLD-DOMZBBRYSA-N 1 0 406.468 0.040 20 0 HCADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000669752320 1074370167 /nfs/dbraw/zinc/37/01/67/1074370167.db2.gz YORXCMHOMSXLLD-IUODEOHRSA-N 1 0 406.468 0.040 20 0 HCADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000669752321 1074370317 /nfs/dbraw/zinc/37/03/17/1074370317.db2.gz YORXCMHOMSXLLD-SWLSCSKDSA-N 1 0 406.468 0.040 20 0 HCADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000669752322 1074370952 /nfs/dbraw/zinc/37/09/52/1074370952.db2.gz YORXCMHOMSXLLD-WFASDCNBSA-N 1 0 406.468 0.040 20 0 HCADRO CS(=O)(=O)NC1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000669758791 1074432434 /nfs/dbraw/zinc/43/24/34/1074432434.db2.gz AVOANEVTCCUORY-KRWDZBQOSA-N 1 0 416.588 0.992 20 0 HCADRO CC(C)[C@@H](CNC(=O)NCc1cccc(CS(N)(=O)=O)c1)[NH+]1CCN(C)CC1 ZINC000669758897 1074447388 /nfs/dbraw/zinc/44/73/88/1074447388.db2.gz BEPJLMSREXTPTQ-GOSISDBHSA-N 1 0 411.572 0.546 20 0 HCADRO CC(C)[C@H](CNC(=O)NCc1cccc(CS(N)(=O)=O)c1)[NH+]1CCN(C)CC1 ZINC000669758898 1074447339 /nfs/dbraw/zinc/44/73/39/1074447339.db2.gz BEPJLMSREXTPTQ-SFHVURJKSA-N 1 0 411.572 0.546 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CC1 ZINC000669759023 1074445252 /nfs/dbraw/zinc/44/52/52/1074445252.db2.gz YFVRORWKXJUIIQ-UHFFFAOYSA-N 1 0 415.604 0.612 20 0 HCADRO NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000669763285 1074481397 /nfs/dbraw/zinc/48/13/97/1074481397.db2.gz BFSFFXWRHUCEBO-AWEZNQCLSA-N 1 0 414.503 0.727 20 0 HCADRO C[C@H]1C[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000669764890 1074501046 /nfs/dbraw/zinc/50/10/46/1074501046.db2.gz LRJCHXRDPKGZOA-BQFCYCMXSA-N 1 0 404.515 0.668 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000669764891 1074501517 /nfs/dbraw/zinc/50/15/17/1074501517.db2.gz LRJCHXRDPKGZOA-RYRKJORJSA-N 1 0 404.515 0.668 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000669764892 1074501575 /nfs/dbraw/zinc/50/15/75/1074501575.db2.gz LRJCHXRDPKGZOA-SOLBZPMBSA-N 1 0 404.515 0.668 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000669764893 1074501443 /nfs/dbraw/zinc/50/14/43/1074501443.db2.gz LRJCHXRDPKGZOA-XYJFISCASA-N 1 0 404.515 0.668 20 0 HCADRO NS(=O)(=O)Cc1cccc(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000669770756 1074534647 /nfs/dbraw/zinc/53/46/47/1074534647.db2.gz YQVNLOCCUUVVHE-UHFFFAOYSA-N 1 0 410.540 0.729 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2)C1 ZINC000669771093 1074533408 /nfs/dbraw/zinc/53/34/08/1074533408.db2.gz LIUTVVBIZCOVPS-GOSISDBHSA-N 1 0 409.556 0.397 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2)C1 ZINC000669771094 1074533456 /nfs/dbraw/zinc/53/34/56/1074533456.db2.gz LIUTVVBIZCOVPS-SFHVURJKSA-N 1 0 409.556 0.397 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000669771438 1074535626 /nfs/dbraw/zinc/53/56/26/1074535626.db2.gz WSNVVLKWMYKCDQ-UHFFFAOYSA-N 1 0 411.572 0.643 20 0 HCADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000669771518 1074535083 /nfs/dbraw/zinc/53/50/83/1074535083.db2.gz ZBYLUYPJJHZCOZ-HNNXBMFYSA-N 1 0 410.540 0.870 20 0 HCADRO NS(=O)(=O)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000669772529 1074539427 /nfs/dbraw/zinc/53/94/27/1074539427.db2.gz HEIVJOLRTLQLHU-SFHVURJKSA-N 1 0 410.540 0.729 20 0 HCADRO NS(=O)(=O)Cc1cccc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000669773079 1074544954 /nfs/dbraw/zinc/54/49/54/1074544954.db2.gz ZEOJYUQWKMLBPC-UHFFFAOYSA-N 1 0 410.540 0.729 20 0 HCADRO CN(C(=O)NCc1cccc(CS(N)(=O)=O)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000669773326 1074545519 /nfs/dbraw/zinc/54/55/19/1074545519.db2.gz HJTYPBTYJKYEKD-IBGZPJMESA-N 1 0 423.583 0.785 20 0 HCADRO CN(C(=O)NCc1cccc(CS(N)(=O)=O)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000669773327 1074545471 /nfs/dbraw/zinc/54/54/71/1074545471.db2.gz HJTYPBTYJKYEKD-LJQANCHMSA-N 1 0 423.583 0.785 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2)c1 ZINC000669773660 1074542542 /nfs/dbraw/zinc/54/25/42/1074542542.db2.gz SLFRUUBLYSWZHF-UHFFFAOYSA-N 1 0 419.507 0.911 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669773739 1074557309 /nfs/dbraw/zinc/55/73/09/1074557309.db2.gz VTGKPSLTANJLCQ-IBGZPJMESA-N 1 0 423.583 0.787 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669773740 1074557375 /nfs/dbraw/zinc/55/73/75/1074557375.db2.gz VTGKPSLTANJLCQ-LJQANCHMSA-N 1 0 423.583 0.787 20 0 HCADRO COc1c[nH+]ccc1N1CCN(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669773814 1074549460 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CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000670068841 1077547543 /nfs/dbraw/zinc/54/75/43/1077547543.db2.gz ZOHXYCDIAWDQPH-CVEARBPZSA-N 1 0 424.567 0.698 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000670068842 1077547586 /nfs/dbraw/zinc/54/75/86/1077547586.db2.gz ZOHXYCDIAWDQPH-HOTGVXAUSA-N 1 0 424.567 0.698 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCN2CCC[N@H+](C)CC2)cc1 ZINC000670069061 1077550548 /nfs/dbraw/zinc/55/05/48/1077550548.db2.gz ABGCATXFLSDWIN-INIZCTEOSA-N 1 0 424.567 0.700 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000670082935 1077592262 /nfs/dbraw/zinc/59/22/62/1077592262.db2.gz QFZVQCUEORRTGD-WMLDXEAASA-N 1 0 411.524 0.519 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000670082936 1077592694 /nfs/dbraw/zinc/59/26/94/1077592694.db2.gz QFZVQCUEORRTGD-YOEHRIQHSA-N 1 0 411.524 0.519 20 0 HCADRO 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CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)C1=O ZINC000670170212 1077832840 /nfs/dbraw/zinc/83/28/40/1077832840.db2.gz KMJNLPODCQRJKM-KRWDZBQOSA-N 1 0 410.540 0.576 20 0 HCADRO CCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)C1=O ZINC000670170213 1077832857 /nfs/dbraw/zinc/83/28/57/1077832857.db2.gz KMJNLPODCQRJKM-QGZVFWFLSA-N 1 0 410.540 0.576 20 0 HCADRO CS(=O)(=O)NC1CC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000670177477 1077845484 /nfs/dbraw/zinc/84/54/84/1077845484.db2.gz CIQXZIBBAXPREJ-AQEOSJORSA-N 1 0 410.540 0.249 20 0 HCADRO CS(=O)(=O)NC1CC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000670177478 1077845560 /nfs/dbraw/zinc/84/55/60/1077845560.db2.gz CIQXZIBBAXPREJ-BFWZDYSYSA-N 1 0 410.540 0.249 20 0 HCADRO CS(=O)(=O)NC1CC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000670177479 1077845541 /nfs/dbraw/zinc/84/55/41/1077845541.db2.gz CIQXZIBBAXPREJ-CPFNUKBASA-N 1 0 410.540 0.249 20 0 HCADRO CS(=O)(=O)NC1CC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000670177480 1077845506 /nfs/dbraw/zinc/84/55/06/1077845506.db2.gz CIQXZIBBAXPREJ-FCCDEINASA-N 1 0 410.540 0.249 20 0 HCADRO CN(C(=O)NC1CC(NS(C)(=O)=O)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000670177987 1077846484 /nfs/dbraw/zinc/84/64/84/1077846484.db2.gz XAUXTFHWQONRCZ-UHFFFAOYSA-N 1 0 409.556 0.810 20 0 HCADRO C[N@H+](CCN1CCN(C(=O)NC2CC(NS(C)(=O)=O)C2)CC1)Cc1ccccc1 ZINC000670178014 1077846503 /nfs/dbraw/zinc/84/65/03/1077846503.db2.gz YDNKBSOOKOSMJB-UHFFFAOYSA-N 1 0 423.583 0.526 20 0 HCADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000670178599 1077847156 /nfs/dbraw/zinc/84/71/56/1077847156.db2.gz SBMFSGNOHNXMFN-JUVOFCAFSA-N 1 0 401.577 0.267 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000670178600 1077847123 /nfs/dbraw/zinc/84/71/23/1077847123.db2.gz SBMFSGNOHNXMFN-NUWOQIAWSA-N 1 0 401.577 0.267 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000670178601 1077847342 /nfs/dbraw/zinc/84/73/42/1077847342.db2.gz SBMFSGNOHNXMFN-RYTJFDOTSA-N 1 0 401.577 0.267 20 0 HCADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NC3CC(NS(C)(=O)=O)C3)CC2)CC1 ZINC000670178705 1077847846 /nfs/dbraw/zinc/84/78/46/1077847846.db2.gz VVMWFLFZVSWNIF-UHFFFAOYSA-N 1 0 401.577 0.267 20 0 HCADRO CN1CC[NH+](CC2(C)CCN(C(=O)NC3CC(NS(C)(=O)=O)C3)CC2)CC1 ZINC000670178968 1077846847 /nfs/dbraw/zinc/84/68/47/1077846847.db2.gz FJKPUERZPPSEGG-UHFFFAOYSA-N 1 0 401.577 0.126 20 0 HCADRO CS(=O)(=O)NC1CC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000670179141 1077411672 /nfs/dbraw/zinc/41/16/72/1077411672.db2.gz KJTVITOCAGILHT-AQEOSJORSA-N 1 0 410.540 0.249 20 0 HCADRO CS(=O)(=O)NC1CC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000670179142 1077849504 /nfs/dbraw/zinc/84/95/04/1077849504.db2.gz KJTVITOCAGILHT-BFWZDYSYSA-N 1 0 410.540 0.249 20 0 HCADRO CS(=O)(=O)NC1CC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000670179143 1077849553 /nfs/dbraw/zinc/84/95/53/1077849553.db2.gz KJTVITOCAGILHT-CPFNUKBASA-N 1 0 410.540 0.249 20 0 HCADRO CS(=O)(=O)NC1CC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000670179144 1077849558 /nfs/dbraw/zinc/84/95/58/1077849558.db2.gz KJTVITOCAGILHT-FCCDEINASA-N 1 0 410.540 0.249 20 0 HCADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000670179758 1077848667 /nfs/dbraw/zinc/84/86/67/1077848667.db2.gz IJAHHGORKPDYPI-FAFZWHIHSA-N 1 0 410.540 0.345 20 0 HCADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000670179759 1077848650 /nfs/dbraw/zinc/84/86/50/1077848650.db2.gz IJAHHGORKPDYPI-TVPLGVNVSA-N 1 0 410.540 0.345 20 0 HCADRO O=C(COc1ccccc1)N1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000670182278 1077855272 /nfs/dbraw/zinc/85/52/72/1077855272.db2.gz FMFXPHSAVTZQFA-DFQSSKMNSA-N 1 0 416.522 0.907 20 0 HCADRO O=C(COc1ccccc1)N1CC[C@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000670182279 1077855232 /nfs/dbraw/zinc/85/52/32/1077855232.db2.gz FMFXPHSAVTZQFA-IHPCNDPISA-N 1 0 416.522 0.907 20 0 HCADRO O=C(COc1ccccc1)N1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000670182280 1077855266 /nfs/dbraw/zinc/85/52/66/1077855266.db2.gz FMFXPHSAVTZQFA-SXLOBPIMSA-N 1 0 416.522 0.907 20 0 HCADRO O=C(COc1ccccc1)N1CC[C@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000670182281 1077855296 /nfs/dbraw/zinc/85/52/96/1077855296.db2.gz FMFXPHSAVTZQFA-YSIASYRMSA-N 1 0 416.522 0.907 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000670182361 1077854711 /nfs/dbraw/zinc/85/47/11/1077854711.db2.gz QNQNZIKSBWBJPK-IBGZPJMESA-N 1 0 417.554 0.945 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000670182362 1077854927 /nfs/dbraw/zinc/85/49/27/1077854927.db2.gz QNQNZIKSBWBJPK-LJQANCHMSA-N 1 0 417.554 0.945 20 0 HCADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000670188221 1077864522 /nfs/dbraw/zinc/86/45/22/1077864522.db2.gz DUGZMAFOTFLOPL-BHIYHBOVSA-N 1 0 424.567 0.984 20 0 HCADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000670188222 1077864513 /nfs/dbraw/zinc/86/45/13/1077864513.db2.gz DUGZMAFOTFLOPL-NEWSRXKRSA-N 1 0 424.567 0.984 20 0 HCADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000670188223 1078187065 /nfs/dbraw/zinc/18/70/65/1078187065.db2.gz DUGZMAFOTFLOPL-NZSAHSFTSA-N 1 0 424.567 0.984 20 0 HCADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000670188224 1077864503 /nfs/dbraw/zinc/86/45/03/1077864503.db2.gz DUGZMAFOTFLOPL-QRQLOZEOSA-N 1 0 424.567 0.984 20 0 HCADRO O=C(Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000670209468 1078783211 /nfs/dbraw/zinc/78/32/11/1078783211.db2.gz PXKCZAZHLJAJLN-AWEZNQCLSA-N 1 0 424.408 0.913 20 0 HCADRO O=C(Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000670209469 1077910566 /nfs/dbraw/zinc/91/05/66/1077910566.db2.gz PXKCZAZHLJAJLN-CQSZACIVSA-N 1 0 424.408 0.913 20 0 HCADRO O=C(Nc1ccc(OC(F)F)nc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000670213344 1077919975 /nfs/dbraw/zinc/91/99/75/1077919975.db2.gz ZDZHUYJXTVSXSF-AWEZNQCLSA-N 1 0 413.425 0.144 20 0 HCADRO O=C(Nc1ccc(OC(F)F)nc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000670213345 1077920056 /nfs/dbraw/zinc/92/00/56/1077920056.db2.gz ZDZHUYJXTVSXSF-CQSZACIVSA-N 1 0 413.425 0.144 20 0 HCADRO CC(=O)NCCN(Cc1ccsc1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000670222437 1077963832 /nfs/dbraw/zinc/96/38/32/1077963832.db2.gz WZMFNVHDNIHPGP-UHFFFAOYSA-N 1 0 406.512 0.610 20 0 HCADRO CC(=O)NCCN(Cc1ccc(C)s1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000670222668 1077959503 /nfs/dbraw/zinc/95/95/03/1077959503.db2.gz GHURPOLJBKIXJA-UHFFFAOYSA-N 1 0 420.539 0.918 20 0 HCADRO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670223144 1077959291 /nfs/dbraw/zinc/95/92/91/1077959291.db2.gz XJJNEESHEPLWPW-AEFFLSMTSA-N 1 0 405.499 0.571 20 0 HCADRO O=C(Nc1cnn(C[C@H]2CCCO2)c1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670223145 1077959136 /nfs/dbraw/zinc/95/91/36/1077959136.db2.gz XJJNEESHEPLWPW-SJLPKXTDSA-N 1 0 405.499 0.571 20 0 HCADRO O=C(Nc1ccc2c(c1)NC(=O)CO2)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670223157 1077965115 /nfs/dbraw/zinc/96/51/15/1077965115.db2.gz AXMLFTOWNZKJTI-CQSZACIVSA-N 1 0 402.451 0.527 20 0 HCADRO Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)cc12 ZINC000670223185 1077963286 /nfs/dbraw/zinc/96/32/86/1077963286.db2.gz OAHMIPUHXXYSIX-OAHLLOKOSA-N 1 0 400.483 0.786 20 0 HCADRO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670223208 1078884711 /nfs/dbraw/zinc/88/47/11/1078884711.db2.gz YBJAHHUOGXGCLN-QGZVFWFLSA-N 1 0 412.494 0.836 20 0 HCADRO O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670223219 1077963937 /nfs/dbraw/zinc/96/39/37/1077963937.db2.gz ZQQVIKBYODBCAT-OAHLLOKOSA-N 1 0 400.479 0.482 20 0 HCADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000670223248 1077974011 /nfs/dbraw/zinc/97/40/11/1077974011.db2.gz USVOVWJRPRBFLJ-QGZVFWFLSA-N 1 0 402.495 0.484 20 0 HCADRO CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000670223253 1078884729 /nfs/dbraw/zinc/88/47/29/1078884729.db2.gz XNEWGLFWMJVVFP-OAHLLOKOSA-N 1 0 424.523 0.104 20 0 HCADRO O=C(Nc1ccn(-c2ncccc2F)n1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670223275 1077974491 /nfs/dbraw/zinc/97/44/91/1077974491.db2.gz LBFJHOKSICVGTE-OAHLLOKOSA-N 1 0 416.457 0.916 20 0 HCADRO Cc1ccc(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)c(OCC[NH+](C)C)c1 ZINC000670228145 1077991045 /nfs/dbraw/zinc/99/10/45/1077991045.db2.gz DWHOVRKSSIMSNB-UHFFFAOYSA-N 1 0 412.512 0.070 20 0 HCADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)cccc21 ZINC000670228246 1078004049 /nfs/dbraw/zinc/00/40/49/1078004049.db2.gz LLTXKMYRSAYUGA-KOHJWAIASA-N 1 0 410.496 0.207 20 0 HCADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)cccc21 ZINC000670228247 1078004185 /nfs/dbraw/zinc/00/41/85/1078004185.db2.gz LLTXKMYRSAYUGA-QOZQQMKHSA-N 1 0 410.496 0.207 20 0 HCADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)cc1 ZINC000670228698 1078003060 /nfs/dbraw/zinc/00/30/60/1078003060.db2.gz QVAJVPHVDSCQDZ-UHFFFAOYSA-N 1 0 412.512 0.152 20 0 HCADRO CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000670228861 1078912094 /nfs/dbraw/zinc/91/20/94/1078912094.db2.gz BWCBXYZTAVEVRG-UHFFFAOYSA-N 1 0 408.524 0.460 20 0 HCADRO CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000670229170 1078003953 /nfs/dbraw/zinc/00/39/53/1078003953.db2.gz XLVYSFZVQYGKGQ-UHFFFAOYSA-N 1 0 408.524 0.807 20 0 HCADRO CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000670229224 1078006500 /nfs/dbraw/zinc/00/65/00/1078006500.db2.gz ACNVYVUDGCDAIT-UHFFFAOYSA-N 1 0 408.524 0.460 20 0 HCADRO CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000670229438 1078006241 /nfs/dbraw/zinc/00/62/41/1078006241.db2.gz PHOUQIDXSOZVSP-UHFFFAOYSA-N 1 0 422.551 0.850 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1NC(=O)CC[NH+](C)C ZINC000670236965 1078010305 /nfs/dbraw/zinc/01/03/05/1078010305.db2.gz YXAQWLNQJRASLZ-IYBDPMFKSA-N 1 0 404.467 0.450 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)cn1 ZINC000670242171 1078015398 /nfs/dbraw/zinc/01/53/98/1078015398.db2.gz UWLXACDEVJXCMT-INIZCTEOSA-N 1 0 413.482 0.806 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cn1 ZINC000670242172 1078015060 /nfs/dbraw/zinc/01/50/60/1078015060.db2.gz UWLXACDEVJXCMT-MRXNPFEDSA-N 1 0 413.482 0.806 20 0 HCADRO COc1cc(N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)ccc1F ZINC000670245293 1078017432 /nfs/dbraw/zinc/01/74/32/1078017432.db2.gz PYJZJRJKHOJFIT-UHFFFAOYSA-N 1 0 418.473 0.880 20 0 HCADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000670251980 1078023513 /nfs/dbraw/zinc/02/35/13/1078023513.db2.gz LDMLYOFUKRXLJC-UHFFFAOYSA-N 1 0 418.479 0.232 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000670254042 1079112026 /nfs/dbraw/zinc/11/20/26/1079112026.db2.gz WSGSOVMUVBEZOM-DYESRHJHSA-N 1 0 420.485 0.724 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000670254043 1078025262 /nfs/dbraw/zinc/02/52/62/1078025262.db2.gz WSGSOVMUVBEZOM-LAUBAEHRSA-N 1 0 420.485 0.724 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000670254044 1078026144 /nfs/dbraw/zinc/02/61/44/1078026144.db2.gz WSGSOVMUVBEZOM-UTKZUKDTSA-N 1 0 420.485 0.724 20 0 HCADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000670254045 1078026269 /nfs/dbraw/zinc/02/62/69/1078026269.db2.gz WSGSOVMUVBEZOM-UWJYYQICSA-N 1 0 420.485 0.724 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@@](F)(CO)C3)cc2)CC1 ZINC000670254657 1078027518 /nfs/dbraw/zinc/02/75/18/1078027518.db2.gz ZNENXNZQLGDNCG-FQEVSTJZSA-N 1 0 408.474 0.184 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@](F)(CO)C3)cc2)CC1 ZINC000670254658 1078027596 /nfs/dbraw/zinc/02/75/96/1078027596.db2.gz ZNENXNZQLGDNCG-HXUWFJFHSA-N 1 0 408.474 0.184 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[C@@](F)(CO)C1 ZINC000670254917 1078027498 /nfs/dbraw/zinc/02/74/98/1078027498.db2.gz KUGFOOOCKFGOGW-FQEVSTJZSA-N 1 0 408.474 0.709 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[C@](F)(CO)C1 ZINC000670254918 1078027569 /nfs/dbraw/zinc/02/75/69/1078027569.db2.gz KUGFOOOCKFGOGW-HXUWFJFHSA-N 1 0 408.474 0.709 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)c1 ZINC000670256152 1079118083 /nfs/dbraw/zinc/11/80/83/1079118083.db2.gz MSAGNUSQPVBQQI-FQEVSTJZSA-N 1 0 408.474 0.630 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)c1 ZINC000670256153 1078027114 /nfs/dbraw/zinc/02/71/14/1078027114.db2.gz MSAGNUSQPVBQQI-HXUWFJFHSA-N 1 0 408.474 0.630 20 0 HCADRO CCOCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000670256952 1078027778 /nfs/dbraw/zinc/02/77/78/1078027778.db2.gz AOSLFXFMBRCMKW-CABCVRRESA-N 1 0 402.565 0.845 20 0 HCADRO CCOCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000670256953 1079123040 /nfs/dbraw/zinc/12/30/40/1079123040.db2.gz AOSLFXFMBRCMKW-GJZGRUSLSA-N 1 0 402.565 0.845 20 0 HCADRO CCOCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000670256954 1078027704 /nfs/dbraw/zinc/02/77/04/1078027704.db2.gz AOSLFXFMBRCMKW-HUUCEWRRSA-N 1 0 402.565 0.845 20 0 HCADRO CCOCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000670256955 1078027746 /nfs/dbraw/zinc/02/77/46/1078027746.db2.gz AOSLFXFMBRCMKW-LSDHHAIUSA-N 1 0 402.565 0.845 20 0 HCADRO CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)C1=O ZINC000670257886 1078028155 /nfs/dbraw/zinc/02/81/55/1078028155.db2.gz SOZUUAZDGWCXRW-GOSISDBHSA-N 1 0 401.511 0.500 20 0 HCADRO CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)C1=O ZINC000670257887 1079128165 /nfs/dbraw/zinc/12/81/65/1079128165.db2.gz SOZUUAZDGWCXRW-SFHVURJKSA-N 1 0 401.511 0.500 20 0 HCADRO CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)C1=O ZINC000670258139 1078027996 /nfs/dbraw/zinc/02/79/96/1078027996.db2.gz AHGJHAWEONXZQR-GOSISDBHSA-N 1 0 401.511 0.812 20 0 HCADRO CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)C1=O ZINC000670258140 1078028054 /nfs/dbraw/zinc/02/80/54/1078028054.db2.gz AHGJHAWEONXZQR-SFHVURJKSA-N 1 0 401.511 0.812 20 0 HCADRO CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)C1=O ZINC000670258256 1079128194 /nfs/dbraw/zinc/12/81/94/1079128194.db2.gz CYUDYBQIKTXWDP-GOSISDBHSA-N 1 0 401.511 0.893 20 0 HCADRO CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)C1=O ZINC000670258257 1078029205 /nfs/dbraw/zinc/02/92/05/1078029205.db2.gz CYUDYBQIKTXWDP-SFHVURJKSA-N 1 0 401.511 0.893 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H]1CCN(CC)C1=O 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/nfs/dbraw/zinc/12/96/74/1079129674.db2.gz DPZQDYSWTLQGKK-OAHLLOKOSA-N 1 0 403.483 0.561 20 0 HCADRO CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1=O ZINC000670260816 1078030778 /nfs/dbraw/zinc/03/07/78/1078030778.db2.gz QZVBZEMRFXRWFD-KRWDZBQOSA-N 1 0 415.494 0.059 20 0 HCADRO CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1=O ZINC000670260817 1079132590 /nfs/dbraw/zinc/13/25/90/1079132590.db2.gz QZVBZEMRFXRWFD-QGZVFWFLSA-N 1 0 415.494 0.059 20 0 HCADRO CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1=O ZINC000670261003 1078030635 /nfs/dbraw/zinc/03/06/35/1078030635.db2.gz ZENXJNRBSVQPKP-IBGZPJMESA-N 1 0 413.522 0.894 20 0 HCADRO CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1=O ZINC000670261004 1078030640 /nfs/dbraw/zinc/03/06/40/1078030640.db2.gz ZENXJNRBSVQPKP-LJQANCHMSA-N 1 0 413.522 0.894 20 0 HCADRO CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)NCC[NH+](CC)CC)c2)C1=O ZINC000670261009 1079134259 /nfs/dbraw/zinc/13/42/59/1079134259.db2.gz 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CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC2)C[C@H]1C ZINC000670350139 1078230460 /nfs/dbraw/zinc/23/04/60/1078230460.db2.gz OQAGOOXFCVMOLP-QLFBSQMISA-N 1 0 400.549 0.455 20 0 HCADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC2)C[C@@H]1C ZINC000670350140 1078230820 /nfs/dbraw/zinc/23/08/20/1078230820.db2.gz OQAGOOXFCVMOLP-SOUVJXGZSA-N 1 0 400.549 0.455 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COC)n2C[C@@H]2CCCCO2)CC1 ZINC000670359289 1078252731 /nfs/dbraw/zinc/25/27/31/1078252731.db2.gz UFYHTCSDBJNNQZ-KRWDZBQOSA-N 1 0 408.547 0.984 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COC)n2C[C@H]2CCCCO2)CC1 ZINC000670359290 1078252753 /nfs/dbraw/zinc/25/27/53/1078252753.db2.gz UFYHTCSDBJNNQZ-QGZVFWFLSA-N 1 0 408.547 0.984 20 0 HCADRO COCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1CCCCO1 ZINC000670361786 1078257877 /nfs/dbraw/zinc/25/78/77/1078257877.db2.gz QIELAGVCHLJWDS-KRWDZBQOSA-N 1 0 406.531 0.738 20 0 HCADRO COCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H]1CCCCO1 ZINC000670361787 1078258023 /nfs/dbraw/zinc/25/80/23/1078258023.db2.gz QIELAGVCHLJWDS-QGZVFWFLSA-N 1 0 406.531 0.738 20 0 HCADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCO2)C[C@@H]1C ZINC000670369046 1078268042 /nfs/dbraw/zinc/26/80/42/1078268042.db2.gz OXXABDAXQFRVHK-HRCADAONSA-N 1 0 414.576 0.988 20 0 HCADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCO2)C[C@@H]1C ZINC000670369047 1078268484 /nfs/dbraw/zinc/26/84/84/1078268484.db2.gz OXXABDAXQFRVHK-JYJNAYRXSA-N 1 0 414.576 0.988 20 0 HCADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCO2)C[C@H]1C ZINC000670369048 1078268563 /nfs/dbraw/zinc/26/85/63/1078268563.db2.gz OXXABDAXQFRVHK-OWCLPIDISA-N 1 0 414.576 0.988 20 0 HCADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCO2)C[C@H]1C ZINC000670369049 1078268502 /nfs/dbraw/zinc/26/85/02/1078268502.db2.gz OXXABDAXQFRVHK-PMPSAXMXSA-N 1 0 414.576 0.988 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000670390301 1078304843 /nfs/dbraw/zinc/30/48/43/1078304843.db2.gz DEIYTOBVRXXSKE-INIZCTEOSA-N 1 0 411.524 0.930 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000670390302 1078304891 /nfs/dbraw/zinc/30/48/91/1078304891.db2.gz DEIYTOBVRXXSKE-MRXNPFEDSA-N 1 0 411.524 0.930 20 0 HCADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670391237 1078304316 /nfs/dbraw/zinc/30/43/16/1078304316.db2.gz ZPQKGQYPVFKWRW-GFCCVEGCSA-N 1 0 415.288 0.425 20 0 HCADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670391238 1078304341 /nfs/dbraw/zinc/30/43/41/1078304341.db2.gz ZPQKGQYPVFKWRW-LBPRGKRZSA-N 1 0 415.288 0.425 20 0 HCADRO O=C(CNC(=O)c1cnc2ccccc2c1O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670392777 1078305012 /nfs/dbraw/zinc/30/50/12/1078305012.db2.gz INMDGTBYCQQPAZ-INIZCTEOSA-N 1 0 412.490 0.971 20 0 HCADRO O=C(CNC(=O)c1cnc2ccccc2c1O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670392778 1078305094 /nfs/dbraw/zinc/30/50/94/1078305094.db2.gz INMDGTBYCQQPAZ-MRXNPFEDSA-N 1 0 412.490 0.971 20 0 HCADRO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc(OC)c1OCC(N)=O ZINC000670393513 1078309750 /nfs/dbraw/zinc/30/97/50/1078309750.db2.gz YGEUJVNZSXEVTK-INIZCTEOSA-N 1 0 421.494 0.895 20 0 HCADRO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc(OC)c1OCC(N)=O ZINC000670393514 1078309734 /nfs/dbraw/zinc/30/97/34/1078309734.db2.gz YGEUJVNZSXEVTK-MRXNPFEDSA-N 1 0 421.494 0.895 20 0 HCADRO C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)NCC[NH+]1CCCCC1 ZINC000670394672 1078311802 /nfs/dbraw/zinc/31/18/02/1078311802.db2.gz BVZHSMGRKBPQHG-OAHLLOKOSA-N 1 0 400.483 0.288 20 0 HCADRO C[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)NCC[NH+]1CCCCC1 ZINC000670394684 1078311831 /nfs/dbraw/zinc/31/18/31/1078311831.db2.gz BXAHMVOSHOHWNT-CQSZACIVSA-N 1 0 407.540 0.919 20 0 HCADRO CN(C)C(=O)Cn1cc(C(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)nn1 ZINC000670396231 1078313440 /nfs/dbraw/zinc/31/34/40/1078313440.db2.gz SMSPJOHHCTUBLH-INIZCTEOSA-N 1 0 408.547 0.700 20 0 HCADRO 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CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000670447354 1078375145 /nfs/dbraw/zinc/37/51/45/1078375145.db2.gz SRHDJNRIGKJFFA-KRWDZBQOSA-N 1 0 408.524 0.064 20 0 HCADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000670447355 1078375247 /nfs/dbraw/zinc/37/52/47/1078375247.db2.gz SRHDJNRIGKJFFA-QGZVFWFLSA-N 1 0 408.524 0.064 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000670447358 1078375217 /nfs/dbraw/zinc/37/52/17/1078375217.db2.gz STIOZXVTIFRWQG-KRWDZBQOSA-N 1 0 408.524 0.064 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000670447427 1078378152 /nfs/dbraw/zinc/37/81/52/1078378152.db2.gz VYUOJTRFSWJOIO-INIZCTEOSA-N 1 0 424.567 0.845 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000670447429 1078378225 /nfs/dbraw/zinc/37/82/25/1078378225.db2.gz VYUOJTRFSWJOIO-MRXNPFEDSA-N 1 0 424.567 0.845 20 0 HCADRO Nc1ccccc1S(=O)(=O)NCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000670449959 1078384690 /nfs/dbraw/zinc/38/46/90/1078384690.db2.gz ORAUXJPZZNPFOP-UHFFFAOYSA-N 1 0 410.540 0.698 20 0 HCADRO COc1cccc([C@H](CNC(=O)CNS(=O)(=O)c2ccccc2N)[NH+](C)C)c1 ZINC000670450187 1078381368 /nfs/dbraw/zinc/38/13/68/1078381368.db2.gz ROMADCDNMDYTAN-KRWDZBQOSA-N 1 0 406.508 0.975 20 0 HCADRO COc1cccc([C@@H](CNC(=O)CNS(=O)(=O)c2ccccc2N)[NH+](C)C)c1 ZINC000670450188 1078381265 /nfs/dbraw/zinc/38/12/65/1078381265.db2.gz ROMADCDNMDYTAN-QGZVFWFLSA-N 1 0 406.508 0.975 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)CNS(=O)(=O)c3ccccc3N)cn2)CC1 ZINC000670453742 1078387421 /nfs/dbraw/zinc/38/74/21/1078387421.db2.gz GHQVRIOZLUCIJS-UHFFFAOYSA-N 1 0 418.523 0.010 20 0 HCADRO CCC(CC)[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)[NH+]1CCOCC1 ZINC000670454218 1078390703 /nfs/dbraw/zinc/39/07/03/1078390703.db2.gz CNKUNRGSTANAQZ-KRWDZBQOSA-N 1 0 412.556 0.800 20 0 HCADRO CCC(CC)[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)[NH+]1CCOCC1 ZINC000670454219 1078390632 /nfs/dbraw/zinc/39/06/32/1078390632.db2.gz CNKUNRGSTANAQZ-QGZVFWFLSA-N 1 0 412.556 0.800 20 0 HCADRO Nc1ccccc1S(=O)(=O)NCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000670459854 1078411532 /nfs/dbraw/zinc/41/15/32/1078411532.db2.gz BJZWVBKORJAEQS-UHFFFAOYSA-N 1 0 403.508 0.723 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)CNS(=O)(=O)c3ccccc3N)ccn2)CC1 ZINC000670460031 1078411362 /nfs/dbraw/zinc/41/13/62/1078411362.db2.gz YRAJJXJCACXUEL-UHFFFAOYSA-N 1 0 418.523 0.010 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccccc2N)cc1 ZINC000670460225 1078404257 /nfs/dbraw/zinc/40/42/57/1078404257.db2.gz FETDZXIEFSDDAI-UHFFFAOYSA-N 1 0 406.508 0.804 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)CNS(=O)(=O)c2ccccc2N)c1 ZINC000670460233 1078404190 /nfs/dbraw/zinc/40/41/90/1078404190.db2.gz GAOBBGVPFAAFDY-UHFFFAOYSA-N 1 0 406.508 0.804 20 0 HCADRO Nc1ccccc1S(=O)(=O)NCC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000670460322 1078404669 /nfs/dbraw/zinc/40/46/69/1078404669.db2.gz SVLQUZXMIBMPLJ-UHFFFAOYSA-N 1 0 403.508 0.723 20 0 HCADRO Nc1ccccc1S(=O)(=O)NCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000670470159 1078435461 /nfs/dbraw/zinc/43/54/61/1078435461.db2.gz QJKOYTCNAXJFPM-UHFFFAOYSA-N 1 0 410.540 0.698 20 0 HCADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000670471988 1078440584 /nfs/dbraw/zinc/44/05/84/1078440584.db2.gz RCRAMEDQTDMAJL-UHFFFAOYSA-N 1 0 417.554 0.844 20 0 HCADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000670473193 1078441720 /nfs/dbraw/zinc/44/17/20/1078441720.db2.gz NLUUJJFPDHVMHY-GOSISDBHSA-N 1 0 410.946 0.976 20 0 HCADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000670473194 1078441731 /nfs/dbraw/zinc/44/17/31/1078441731.db2.gz NLUUJJFPDHVMHY-SFHVURJKSA-N 1 0 410.946 0.976 20 0 HCADRO Nc1ccccc1S(=O)(=O)NCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000670474798 1078457506 /nfs/dbraw/zinc/45/75/06/1078457506.db2.gz FCMFVLWOBMMHME-DLBZAZTESA-N 1 0 410.540 0.431 20 0 HCADRO Nc1ccccc1S(=O)(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000670474799 1078457444 /nfs/dbraw/zinc/45/74/44/1078457444.db2.gz FCMFVLWOBMMHME-IAGOWNOFSA-N 1 0 410.540 0.431 20 0 HCADRO Nc1ccccc1S(=O)(=O)NCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000670474800 1078457531 /nfs/dbraw/zinc/45/75/31/1078457531.db2.gz FCMFVLWOBMMHME-IRXDYDNUSA-N 1 0 410.540 0.431 20 0 HCADRO Nc1ccccc1S(=O)(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000670474801 1078457459 /nfs/dbraw/zinc/45/74/59/1078457459.db2.gz FCMFVLWOBMMHME-SJORKVTESA-N 1 0 410.540 0.431 20 0 HCADRO Nc1ccccc1S(=O)(=O)NCC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000670475617 1078455820 /nfs/dbraw/zinc/45/58/20/1078455820.db2.gz VILZDOWDPDSBOT-KRWDZBQOSA-N 1 0 418.519 0.430 20 0 HCADRO Nc1ccccc1S(=O)(=O)NCC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000670475618 1078455759 /nfs/dbraw/zinc/45/57/59/1078455759.db2.gz VILZDOWDPDSBOT-QGZVFWFLSA-N 1 0 418.519 0.430 20 0 HCADRO O=C(NCCCN1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000670479464 1078461245 /nfs/dbraw/zinc/46/12/45/1078461245.db2.gz JYYJHZSFWQFZOJ-FQEVSTJZSA-N 1 0 402.539 0.853 20 0 HCADRO O=C(NCCCN1CCOCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000670479465 1078461337 /nfs/dbraw/zinc/46/13/37/1078461337.db2.gz JYYJHZSFWQFZOJ-HXUWFJFHSA-N 1 0 402.539 0.853 20 0 HCADRO O=C(NCCCN1CCOCC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000670479473 1078465982 /nfs/dbraw/zinc/46/59/82/1078465982.db2.gz KRUBZKKAAOOCAK-UHFFFAOYSA-N 1 0 402.539 0.853 20 0 HCADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCN1CCOCC1 ZINC000670479681 1078465302 /nfs/dbraw/zinc/46/53/02/1078465302.db2.gz LUQWDBSQERLMJQ-IBGZPJMESA-N 1 0 402.539 0.948 20 0 HCADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCN1CCOCC1 ZINC000670479682 1078465362 /nfs/dbraw/zinc/46/53/62/1078465362.db2.gz LUQWDBSQERLMJQ-LJQANCHMSA-N 1 0 402.539 0.948 20 0 HCADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 ZINC000670479702 1078465347 /nfs/dbraw/zinc/46/53/47/1078465347.db2.gz RCCLCAKGWSGPRJ-UHFFFAOYSA-N 1 0 402.539 0.868 20 0 HCADRO CC1(C)CC(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC(C)(C)[NH2+]1 ZINC000670481852 1078475843 /nfs/dbraw/zinc/47/58/43/1078475843.db2.gz QAOKAGJZKLUCTO-AWEZNQCLSA-N 1 0 415.538 0.906 20 0 HCADRO CC1(C)CC(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC(C)(C)[NH2+]1 ZINC000670481853 1078475786 /nfs/dbraw/zinc/47/57/86/1078475786.db2.gz QAOKAGJZKLUCTO-CQSZACIVSA-N 1 0 415.538 0.906 20 0 HCADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000670481907 1078476241 /nfs/dbraw/zinc/47/62/41/1078476241.db2.gz IEWYFGSJOJPESQ-AWEZNQCLSA-N 1 0 402.561 0.341 20 0 HCADRO COc1ccc(CCNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000670482628 1078486470 /nfs/dbraw/zinc/48/64/70/1078486470.db2.gz MIPZFRTVGSSJSN-UHFFFAOYSA-N 1 0 411.506 0.817 20 0 HCADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H](C)N1CCOCC1 ZINC000670484025 1078476920 /nfs/dbraw/zinc/47/69/20/1078476920.db2.gz YYMPXGHXNMECPW-MSOLQXFVSA-N 1 0 402.539 0.993 20 0 HCADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H](C)N1CCOCC1 ZINC000670484027 1078477006 /nfs/dbraw/zinc/47/70/06/1078477006.db2.gz YYMPXGHXNMECPW-ROUUACIJSA-N 1 0 402.539 0.993 20 0 HCADRO Cn1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2=O)cn1 ZINC000670484154 1078477028 /nfs/dbraw/zinc/47/70/28/1078477028.db2.gz LFXHOSIZRXNZPJ-UHFFFAOYSA-N 1 0 424.505 0.376 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000670491341 1078508916 /nfs/dbraw/zinc/50/89/16/1078508916.db2.gz LRAFLZOTGDOCEN-INIZCTEOSA-N 1 0 404.511 0.605 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000670491766 1078511185 /nfs/dbraw/zinc/51/11/85/1078511185.db2.gz OUJKGDVROYJURD-KRWDZBQOSA-N 1 0 404.511 0.558 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000670491767 1078510668 /nfs/dbraw/zinc/51/06/68/1078510668.db2.gz OUJKGDVROYJURD-QGZVFWFLSA-N 1 0 404.511 0.558 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1OC ZINC000670491868 1078510384 /nfs/dbraw/zinc/51/03/84/1078510384.db2.gz NJTLZJLYGIKOPW-INIZCTEOSA-N 1 0 418.494 0.085 20 0 HCADRO COc1ccc(CCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000670493258 1078515550 /nfs/dbraw/zinc/51/55/50/1078515550.db2.gz GATKRVNTTPIQAM-KRWDZBQOSA-N 1 0 418.538 0.647 20 0 HCADRO COc1ccc(CCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000670493259 1078516539 /nfs/dbraw/zinc/51/65/39/1078516539.db2.gz GATKRVNTTPIQAM-QGZVFWFLSA-N 1 0 418.538 0.647 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000670503380 1078543113 /nfs/dbraw/zinc/54/31/13/1078543113.db2.gz QDZBNKUBEVUBQH-GOSISDBHSA-N 1 0 404.511 0.407 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000670503381 1078542847 /nfs/dbraw/zinc/54/28/47/1078542847.db2.gz QDZBNKUBEVUBQH-SFHVURJKSA-N 1 0 404.511 0.407 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1 ZINC000670503388 1078542975 /nfs/dbraw/zinc/54/29/75/1078542975.db2.gz RYCGVMHZMOCNKS-FXAWDEMLSA-N 1 0 423.517 0.900 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1 ZINC000670503389 1078543247 /nfs/dbraw/zinc/54/32/47/1078543247.db2.gz RYCGVMHZMOCNKS-PXNSSMCTSA-N 1 0 423.517 0.900 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000670503860 1078540450 /nfs/dbraw/zinc/54/04/50/1078540450.db2.gz MIMPWXOMGMLJKM-UHFFFAOYSA-N 1 0 412.556 0.587 20 0 HCADRO CC(C)[NH+](CCNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)C(C)C ZINC000670503865 1078540222 /nfs/dbraw/zinc/54/02/22/1078540222.db2.gz PMGPJWWLTFLXCK-UHFFFAOYSA-N 1 0 423.602 0.815 20 0 HCADRO COc1ccccc1OCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670507176 1078543856 /nfs/dbraw/zinc/54/38/56/1078543856.db2.gz AAMHBZDCSADCKU-INIZCTEOSA-N 1 0 404.511 0.475 20 0 HCADRO COc1ccccc1OCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670507177 1078543685 /nfs/dbraw/zinc/54/36/85/1078543685.db2.gz AAMHBZDCSADCKU-MRXNPFEDSA-N 1 0 404.511 0.475 20 0 HCADRO COc1ccccc1OCCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670507231 1078543018 /nfs/dbraw/zinc/54/30/18/1078543018.db2.gz PJTRPAJRYPYLPE-GOSISDBHSA-N 1 0 418.538 0.817 20 0 HCADRO COc1ccccc1OCCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670507232 1078543192 /nfs/dbraw/zinc/54/31/92/1078543192.db2.gz PJTRPAJRYPYLPE-SFHVURJKSA-N 1 0 418.538 0.817 20 0 HCADRO COc1ccccc1OCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000670507594 1078564680 /nfs/dbraw/zinc/56/46/80/1078564680.db2.gz WCHIMOMNKQIVMD-KRWDZBQOSA-N 1 0 404.511 0.429 20 0 HCADRO COc1ccccc1OCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000670507595 1078564849 /nfs/dbraw/zinc/56/48/49/1078564849.db2.gz WCHIMOMNKQIVMD-QGZVFWFLSA-N 1 0 404.511 0.429 20 0 HCADRO Cc1cc(C)n(CCCNC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000670507816 1078555122 /nfs/dbraw/zinc/55/51/22/1078555122.db2.gz INAWIXZSOGJJQO-UHFFFAOYSA-N 1 0 404.559 0.681 20 0 HCADRO Cc1cc(C)n(CCCNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000670507836 1078555082 /nfs/dbraw/zinc/55/50/82/1078555082.db2.gz PZIZENBPFNBEIC-IBGZPJMESA-N 1 0 404.559 0.633 20 0 HCADRO Cc1cc(C)n(CCCNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000670507837 1078555112 /nfs/dbraw/zinc/55/51/12/1078555112.db2.gz PZIZENBPFNBEIC-LJQANCHMSA-N 1 0 404.559 0.633 20 0 HCADRO O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670508393 1078556849 /nfs/dbraw/zinc/55/68/49/1078556849.db2.gz ZVGYELWHVIORNR-DLBZAZTESA-N 1 0 406.552 0.838 20 0 HCADRO O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670508394 1078556884 /nfs/dbraw/zinc/55/68/84/1078556884.db2.gz ZVGYELWHVIORNR-IAGOWNOFSA-N 1 0 406.552 0.838 20 0 HCADRO O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670508395 1078556980 /nfs/dbraw/zinc/55/69/80/1078556980.db2.gz ZVGYELWHVIORNR-IRXDYDNUSA-N 1 0 406.552 0.838 20 0 HCADRO O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670508396 1078556938 /nfs/dbraw/zinc/55/69/38/1078556938.db2.gz ZVGYELWHVIORNR-SJORKVTESA-N 1 0 406.552 0.838 20 0 HCADRO O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670508517 1078572263 /nfs/dbraw/zinc/57/22/63/1078572263.db2.gz ORNNWXHZOCZMAV-BRWVUGGUSA-N 1 0 406.552 0.981 20 0 HCADRO O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670508518 1078572474 /nfs/dbraw/zinc/57/24/74/1078572474.db2.gz ORNNWXHZOCZMAV-GVDBMIGSSA-N 1 0 406.552 0.981 20 0 HCADRO O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670508519 1078572289 /nfs/dbraw/zinc/57/22/89/1078572289.db2.gz ORNNWXHZOCZMAV-IXDOHACOSA-N 1 0 406.552 0.981 20 0 HCADRO O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670508520 1078572512 /nfs/dbraw/zinc/57/25/12/1078572512.db2.gz ORNNWXHZOCZMAV-YESZJQIVSA-N 1 0 406.552 0.981 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000670509588 1078573476 /nfs/dbraw/zinc/57/34/76/1078573476.db2.gz NHXWZBGGNIBLAF-UHFFFAOYSA-N 1 0 424.567 0.733 20 0 HCADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000670509689 1078573997 /nfs/dbraw/zinc/57/39/97/1078573997.db2.gz QODDCJZBUKLNFH-KRWDZBQOSA-N 1 0 409.575 0.426 20 0 HCADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000670509690 1078567945 /nfs/dbraw/zinc/56/79/45/1078567945.db2.gz QODDCJZBUKLNFH-QGZVFWFLSA-N 1 0 409.575 0.426 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CCCCC1 ZINC000670509791 1078578042 /nfs/dbraw/zinc/57/80/42/1078578042.db2.gz OHSYQIXZFVXVDM-INIZCTEOSA-N 1 0 415.538 0.861 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CCCCC1 ZINC000670509792 1078577983 /nfs/dbraw/zinc/57/79/83/1078577983.db2.gz OHSYQIXZFVXVDM-MRXNPFEDSA-N 1 0 415.538 0.861 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N2CCC(CO)(OC)CC2)[NH+]2CCCC2)cc1 ZINC000670510090 1078566576 /nfs/dbraw/zinc/56/65/76/1078566576.db2.gz GQCULVIBOFMUOX-IBGZPJMESA-N 1 0 419.522 0.948 20 0 HCADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CCC(CO)(OC)CC2)[NH+]2CCCC2)cc1 ZINC000670510091 1078566458 /nfs/dbraw/zinc/56/64/58/1078566458.db2.gz GQCULVIBOFMUOX-LJQANCHMSA-N 1 0 419.522 0.948 20 0 HCADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000670510174 1078566028 /nfs/dbraw/zinc/56/60/28/1078566028.db2.gz SUJAAIWWUVXDNI-CRAIPNDOSA-N 1 0 402.495 0.685 20 0 HCADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000670510175 1078565837 /nfs/dbraw/zinc/56/58/37/1078565837.db2.gz SUJAAIWWUVXDNI-MAUKXSAKSA-N 1 0 402.495 0.685 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000670510176 1078565750 /nfs/dbraw/zinc/56/57/50/1078565750.db2.gz SUJAAIWWUVXDNI-QAPCUYQASA-N 1 0 402.495 0.685 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000670510177 1078565965 /nfs/dbraw/zinc/56/59/65/1078565965.db2.gz SUJAAIWWUVXDNI-YJBOKZPZSA-N 1 0 402.495 0.685 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)[NH+]2CCCC2)cc1 ZINC000670510400 1078565400 /nfs/dbraw/zinc/56/54/00/1078565400.db2.gz SHFPFRKPZDJEBL-FFZOFVMBSA-N 1 0 418.538 0.784 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)[NH+]2CCCC2)cc1 ZINC000670510401 1078565281 /nfs/dbraw/zinc/56/52/81/1078565281.db2.gz SHFPFRKPZDJEBL-LSTHTHJFSA-N 1 0 418.538 0.784 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)[NH+]2CCCC2)cc1 ZINC000670510402 1078565313 /nfs/dbraw/zinc/56/53/13/1078565313.db2.gz SHFPFRKPZDJEBL-UXPWSPDFSA-N 1 0 418.538 0.784 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)[NH+]2CCCC2)cc1 ZINC000670510403 1078565469 /nfs/dbraw/zinc/56/54/69/1078565469.db2.gz SHFPFRKPZDJEBL-VDGAXYAQSA-N 1 0 418.538 0.784 20 0 HCADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000670510701 1078577795 /nfs/dbraw/zinc/57/77/95/1078577795.db2.gz LWKLFYPHTSBKBH-GOSISDBHSA-N 1 0 408.543 0.655 20 0 HCADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000670510702 1078577887 /nfs/dbraw/zinc/57/78/87/1078577887.db2.gz LWKLFYPHTSBKBH-SFHVURJKSA-N 1 0 408.543 0.655 20 0 HCADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000670510739 1078576568 /nfs/dbraw/zinc/57/65/68/1078576568.db2.gz RVXRPUJKXDLIKG-UHFFFAOYSA-N 1 0 414.572 0.299 20 0 HCADRO CN(C)[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000670525865 1078634481 /nfs/dbraw/zinc/63/44/81/1078634481.db2.gz IBZLFADAZKCRGS-ROUUACIJSA-N 1 0 405.543 0.625 20 0 HCADRO CN(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000670525866 1078634379 /nfs/dbraw/zinc/63/43/79/1078634379.db2.gz IBZLFADAZKCRGS-ZWKOTPCHSA-N 1 0 405.543 0.625 20 0 HCADRO O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670526963 1078629354 /nfs/dbraw/zinc/62/93/54/1078629354.db2.gz UYKZRGYRKNOZDE-UHFFFAOYSA-N 1 0 415.538 0.882 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000670532330 1078647769 /nfs/dbraw/zinc/64/77/69/1078647769.db2.gz FXYLCKJWHIYQIU-PMACEKPBSA-N 1 0 402.539 0.994 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000670532331 1078648151 /nfs/dbraw/zinc/64/81/51/1078648151.db2.gz FXYLCKJWHIYQIU-UXHICEINSA-N 1 0 402.539 0.994 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000670532332 1078648223 /nfs/dbraw/zinc/64/82/23/1078648223.db2.gz FXYLCKJWHIYQIU-VQTJNVASSA-N 1 0 402.539 0.994 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000670532333 1078648344 /nfs/dbraw/zinc/64/83/44/1078648344.db2.gz FXYLCKJWHIYQIU-WOJBJXKFSA-N 1 0 402.539 0.994 20 0 HCADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670532784 1078666098 /nfs/dbraw/zinc/66/60/98/1078666098.db2.gz LMHVRCWIVXGXKY-HSALFYBXSA-N 1 0 400.523 0.747 20 0 HCADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670532785 1078666154 /nfs/dbraw/zinc/66/61/54/1078666154.db2.gz LMHVRCWIVXGXKY-SLFFLAALSA-N 1 0 400.523 0.747 20 0 HCADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670532786 1078666123 /nfs/dbraw/zinc/66/61/23/1078666123.db2.gz LMHVRCWIVXGXKY-VAMGGRTRSA-N 1 0 400.523 0.747 20 0 HCADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670532787 1078666035 /nfs/dbraw/zinc/66/60/35/1078666035.db2.gz LMHVRCWIVXGXKY-XUVXKRRUSA-N 1 0 400.523 0.747 20 0 HCADRO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670532850 1078666595 /nfs/dbraw/zinc/66/65/95/1078666595.db2.gz RDKRPBYIEMMPQC-PMACEKPBSA-N 1 0 400.523 0.604 20 0 HCADRO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670532851 1078666754 /nfs/dbraw/zinc/66/67/54/1078666754.db2.gz RDKRPBYIEMMPQC-UXHICEINSA-N 1 0 400.523 0.604 20 0 HCADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670532852 1078666682 /nfs/dbraw/zinc/66/66/82/1078666682.db2.gz RDKRPBYIEMMPQC-VQTJNVASSA-N 1 0 400.523 0.604 20 0 HCADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670532853 1078666470 /nfs/dbraw/zinc/66/64/70/1078666470.db2.gz RDKRPBYIEMMPQC-WOJBJXKFSA-N 1 0 400.523 0.604 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000670532988 1078664809 /nfs/dbraw/zinc/66/48/09/1078664809.db2.gz KSXWNYJVJIMNAB-PMACEKPBSA-N 1 0 402.539 0.993 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000670532989 1078664650 /nfs/dbraw/zinc/66/46/50/1078664650.db2.gz KSXWNYJVJIMNAB-UXHICEINSA-N 1 0 402.539 0.993 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000670532990 1078664699 /nfs/dbraw/zinc/66/46/99/1078664699.db2.gz KSXWNYJVJIMNAB-VQTJNVASSA-N 1 0 402.539 0.993 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000670532991 1078664791 /nfs/dbraw/zinc/66/47/91/1078664791.db2.gz KSXWNYJVJIMNAB-WOJBJXKFSA-N 1 0 402.539 0.993 20 0 HCADRO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670533078 1078661809 /nfs/dbraw/zinc/66/18/09/1078661809.db2.gz YNRYYMKEZWTPSI-NRFANRHFSA-N 1 0 423.517 0.747 20 0 HCADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670533079 1078661933 /nfs/dbraw/zinc/66/19/33/1078661933.db2.gz YNRYYMKEZWTPSI-OAQYLSRUSA-N 1 0 423.517 0.747 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C1CCCC1 ZINC000670533104 1078662212 /nfs/dbraw/zinc/66/22/12/1078662212.db2.gz FSLWSPIUJNVVCW-FQEVSTJZSA-N 1 0 402.539 0.994 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CCCC1 ZINC000670533105 1078662356 /nfs/dbraw/zinc/66/23/56/1078662356.db2.gz FSLWSPIUJNVVCW-HXUWFJFHSA-N 1 0 402.539 0.994 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000670533164 1078663422 /nfs/dbraw/zinc/66/34/22/1078663422.db2.gz KFNGHAMSGORIGI-NJDAHSKKSA-N 1 0 414.550 0.946 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000670533165 1078663597 /nfs/dbraw/zinc/66/35/97/1078663597.db2.gz KFNGHAMSGORIGI-PCCBWWKXSA-N 1 0 414.550 0.946 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000670533166 1078663524 /nfs/dbraw/zinc/66/35/24/1078663524.db2.gz KFNGHAMSGORIGI-PWRODBHTSA-N 1 0 414.550 0.946 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000670533167 1078663310 /nfs/dbraw/zinc/66/33/10/1078663310.db2.gz KFNGHAMSGORIGI-QHAWAJNXSA-N 1 0 414.550 0.946 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N2CCc3c[nH]nc3C2)[NH+](C)C)cc1OC ZINC000670533340 1078661876 /nfs/dbraw/zinc/66/18/76/1078661876.db2.gz JEUXLNKITNAFDL-INIZCTEOSA-N 1 0 401.467 0.731 20 0 HCADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CCc3c[nH]nc3C2)[NH+](C)C)cc1OC ZINC000670533341 1078661974 /nfs/dbraw/zinc/66/19/74/1078661974.db2.gz JEUXLNKITNAFDL-MRXNPFEDSA-N 1 0 401.467 0.731 20 0 HCADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)[NH+](C)C)cc1OC ZINC000670533346 1078652414 /nfs/dbraw/zinc/65/24/14/1078652414.db2.gz JOVKUCYXTDOZFX-DZGCQCFKSA-N 1 0 406.483 0.160 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)[NH+](C)C)cc1OC ZINC000670533347 1078653147 /nfs/dbraw/zinc/65/31/47/1078653147.db2.gz JOVKUCYXTDOZFX-HIFRSBDPSA-N 1 0 406.483 0.160 20 0 HCADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)[NH+](C)C)cc1OC ZINC000670533348 1078653212 /nfs/dbraw/zinc/65/32/12/1078653212.db2.gz JOVKUCYXTDOZFX-UKRRQHHQSA-N 1 0 406.483 0.160 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)[NH+](C)C)cc1OC ZINC000670533349 1078653096 /nfs/dbraw/zinc/65/30/96/1078653096.db2.gz JOVKUCYXTDOZFX-ZFWWWQNUSA-N 1 0 406.483 0.160 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000670533434 1078659832 /nfs/dbraw/zinc/65/98/32/1078659832.db2.gz RJHVNVPNKNKLOS-FXAWDEMLSA-N 1 0 402.539 0.850 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000670533435 1078659735 /nfs/dbraw/zinc/65/97/35/1078659735.db2.gz RJHVNVPNKNKLOS-PXNSSMCTSA-N 1 0 402.539 0.850 20 0 HCADRO C[C@@H](NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000670533436 1078659697 /nfs/dbraw/zinc/65/96/97/1078659697.db2.gz RJHVNVPNKNKLOS-XLIONFOSSA-N 1 0 402.539 0.850 20 0 HCADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000670533437 1078659779 /nfs/dbraw/zinc/65/97/79/1078659779.db2.gz RJHVNVPNKNKLOS-YLJYHZDGSA-N 1 0 402.539 0.850 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)NCC2(OC)CCOCC2)[NH+](C)C)cc1OC ZINC000670533480 1078656344 /nfs/dbraw/zinc/65/63/44/1078656344.db2.gz CTLFYXJEYFMLPJ-INIZCTEOSA-N 1 0 423.510 0.735 20 0 HCADRO COc1ccc([C@@H](CNC(=O)C(=O)NCC2(OC)CCOCC2)[NH+](C)C)cc1OC ZINC000670533481 1078656530 /nfs/dbraw/zinc/65/65/30/1078656530.db2.gz CTLFYXJEYFMLPJ-MRXNPFEDSA-N 1 0 423.510 0.735 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N2CCC(CO)(OC)CC2)[NH+](C)C)cc1OC ZINC000670533546 1078677102 /nfs/dbraw/zinc/67/71/02/1078677102.db2.gz KOWLACWDXPZUGZ-INIZCTEOSA-N 1 0 423.510 0.423 20 0 HCADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CCC(CO)(OC)CC2)[NH+](C)C)cc1OC ZINC000670533547 1078677281 /nfs/dbraw/zinc/67/72/81/1078677281.db2.gz KOWLACWDXPZUGZ-MRXNPFEDSA-N 1 0 423.510 0.423 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)NCc2cc(C)ncn2)[NH+](C)C)cc1OC ZINC000670533688 1078676014 /nfs/dbraw/zinc/67/60/14/1078676014.db2.gz ZHLDJXMNNMNUSX-INIZCTEOSA-N 1 0 401.467 0.838 20 0 HCADRO COc1ccc([C@@H](CNC(=O)C(=O)NCc2cc(C)ncn2)[NH+](C)C)cc1OC ZINC000670533689 1078676110 /nfs/dbraw/zinc/67/61/10/1078676110.db2.gz ZHLDJXMNNMNUSX-MRXNPFEDSA-N 1 0 401.467 0.838 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N2CCn3cc(C)nc3C2)[NH+](C)C)cc1OC ZINC000670533746 1078676085 /nfs/dbraw/zinc/67/60/85/1078676085.db2.gz FSEZWDDZFQRKAU-INIZCTEOSA-N 1 0 415.494 0.970 20 0 HCADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CCn3cc(C)nc3C2)[NH+](C)C)cc1OC ZINC000670533747 1078676030 /nfs/dbraw/zinc/67/60/30/1078676030.db2.gz FSEZWDDZFQRKAU-MRXNPFEDSA-N 1 0 415.494 0.970 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)[NH+](C)C)cc1OC ZINC000670533846 1078674883 /nfs/dbraw/zinc/67/48/83/1078674883.db2.gz OLIHXMRYIHTPNJ-ALKREAHSSA-N 1 0 422.526 0.258 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)[NH+](C)C)cc1OC ZINC000670533847 1078674738 /nfs/dbraw/zinc/67/47/38/1078674738.db2.gz OLIHXMRYIHTPNJ-QOKNQOGYSA-N 1 0 422.526 0.258 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)[NH+](C)C)cc1OC ZINC000670533848 1078674819 /nfs/dbraw/zinc/67/48/19/1078674819.db2.gz OLIHXMRYIHTPNJ-SIXWZSSISA-N 1 0 422.526 0.258 20 0 HCADRO COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)[NH+](C)C)cc1OC ZINC000670533849 1078674676 /nfs/dbraw/zinc/67/46/76/1078674676.db2.gz OLIHXMRYIHTPNJ-URLQWDBASA-N 1 0 422.526 0.258 20 0 HCADRO O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670534040 1078674178 /nfs/dbraw/zinc/67/41/78/1078674178.db2.gz NCHJUUYYNIVYTH-PMACEKPBSA-N 1 0 418.513 0.916 20 0 HCADRO O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670534041 1078674127 /nfs/dbraw/zinc/67/41/27/1078674127.db2.gz NCHJUUYYNIVYTH-UXHICEINSA-N 1 0 418.513 0.916 20 0 HCADRO O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670534042 1078674096 /nfs/dbraw/zinc/67/40/96/1078674096.db2.gz NCHJUUYYNIVYTH-VQTJNVASSA-N 1 0 418.513 0.916 20 0 HCADRO O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670534043 1078674153 /nfs/dbraw/zinc/67/41/53/1078674153.db2.gz NCHJUUYYNIVYTH-WOJBJXKFSA-N 1 0 418.513 0.916 20 0 HCADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000670534070 1078674112 /nfs/dbraw/zinc/67/41/12/1078674112.db2.gz SGCGHOYOSUTJGC-APWZRJJASA-N 1 0 406.502 0.868 20 0 HCADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000670534071 1078674654 /nfs/dbraw/zinc/67/46/54/1078674654.db2.gz SGCGHOYOSUTJGC-LPHOPBHVSA-N 1 0 406.502 0.868 20 0 HCADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000670534072 1078672998 /nfs/dbraw/zinc/67/29/98/1078672998.db2.gz SGCGHOYOSUTJGC-QFBILLFUSA-N 1 0 406.502 0.868 20 0 HCADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000670534073 1078673044 /nfs/dbraw/zinc/67/30/44/1078673044.db2.gz SGCGHOYOSUTJGC-VQIMIIECSA-N 1 0 406.502 0.868 20 0 HCADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000670534697 1078678431 /nfs/dbraw/zinc/67/84/31/1078678431.db2.gz SYNOSFHMYORFTP-MRXNPFEDSA-N 1 0 423.583 0.480 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000670535227 1078668846 /nfs/dbraw/zinc/66/88/46/1078668846.db2.gz BESKSBAEFIKRNB-HNNXBMFYSA-N 1 0 410.540 0.468 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000670535228 1078668902 /nfs/dbraw/zinc/66/89/02/1078668902.db2.gz BESKSBAEFIKRNB-OAHLLOKOSA-N 1 0 410.540 0.468 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000670535373 1078667811 /nfs/dbraw/zinc/66/78/11/1078667811.db2.gz YCBNWDCPYQFDMS-HNNXBMFYSA-N 1 0 402.524 0.914 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000670535374 1078667875 /nfs/dbraw/zinc/66/78/75/1078667875.db2.gz YCBNWDCPYQFDMS-OAHLLOKOSA-N 1 0 402.524 0.914 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000670535744 1078686319 /nfs/dbraw/zinc/68/63/19/1078686319.db2.gz MBTPCOXXCCJWHV-UHFFFAOYSA-N 1 0 410.540 0.343 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CCCC1 ZINC000670535888 1078684095 /nfs/dbraw/zinc/68/40/95/1078684095.db2.gz FIXUZABRISGOSK-UHFFFAOYSA-N 1 0 422.551 0.833 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)s1 ZINC000670535889 1078684157 /nfs/dbraw/zinc/68/41/57/1078684157.db2.gz FKRAJKPORKUITQ-UHFFFAOYSA-N 1 0 416.569 0.442 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1)S(C)(=O)=O ZINC000670535913 1078684755 /nfs/dbraw/zinc/68/47/55/1078684755.db2.gz MMMOLOHNDYEWSA-UHFFFAOYSA-N 1 0 410.540 0.689 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CCCC1 ZINC000670535989 1078683451 /nfs/dbraw/zinc/68/34/51/1078683451.db2.gz JAYOSOXTBXDLMD-HNNXBMFYSA-N 1 0 401.511 0.471 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CCCC1 ZINC000670535990 1078683437 /nfs/dbraw/zinc/68/34/37/1078683437.db2.gz JAYOSOXTBXDLMD-OAHLLOKOSA-N 1 0 401.511 0.471 20 0 HCADRO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000670536930 1078697273 /nfs/dbraw/zinc/69/72/73/1078697273.db2.gz URRFIPRCEVWTFF-UHFFFAOYSA-N 1 0 412.575 0.563 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC(C)(C)N3CCOCC3)CC2)CC1 ZINC000670537110 1078695238 /nfs/dbraw/zinc/69/52/38/1078695238.db2.gz YJQGZGOXCOAFIA-UHFFFAOYSA-N 1 0 423.602 0.230 20 0 HCADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000670537224 1078693386 /nfs/dbraw/zinc/69/33/86/1078693386.db2.gz DGVVAPCGJWOXBR-IBGZPJMESA-N 1 0 402.539 0.946 20 0 HCADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000670537225 1078693239 /nfs/dbraw/zinc/69/32/39/1078693239.db2.gz DGVVAPCGJWOXBR-LJQANCHMSA-N 1 0 402.539 0.946 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@@H](c3ccco3)N3CCCC3)C2)CC1 ZINC000670544182 1078711329 /nfs/dbraw/zinc/71/13/29/1078711329.db2.gz NOELTEWNRMNPCR-HKUYNNGSSA-N 1 0 417.554 0.817 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@H](c3ccco3)N3CCCC3)C2)CC1 ZINC000670544183 1078711140 /nfs/dbraw/zinc/71/11/40/1078711140.db2.gz NOELTEWNRMNPCR-IEBWSBKVSA-N 1 0 417.554 0.817 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](c3ccco3)N3CCCC3)C2)CC1 ZINC000670544184 1078711209 /nfs/dbraw/zinc/71/12/09/1078711209.db2.gz NOELTEWNRMNPCR-MJGOQNOKSA-N 1 0 417.554 0.817 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H](c3ccco3)N3CCCC3)C2)CC1 ZINC000670544185 1078711253 /nfs/dbraw/zinc/71/12/53/1078711253.db2.gz NOELTEWNRMNPCR-PKOBYXMFSA-N 1 0 417.554 0.817 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H](c3ccco3)N3CCCC3)CC2)C1 ZINC000670544862 1078717998 /nfs/dbraw/zinc/71/79/98/1078717998.db2.gz UULRAPIIMWUEDY-MOPGFXCFSA-N 1 0 417.554 0.771 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H](c3ccco3)N3CCCC3)CC2)C1 ZINC000670544865 1078717940 /nfs/dbraw/zinc/71/79/40/1078717940.db2.gz UULRAPIIMWUEDY-RTBURBONSA-N 1 0 417.554 0.771 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000670545149 1078716970 /nfs/dbraw/zinc/71/69/70/1078716970.db2.gz JHUHQYYJUVEINN-UHFFFAOYSA-N 1 0 410.540 0.341 20 0 HCADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000670545286 1078715476 /nfs/dbraw/zinc/71/54/76/1078715476.db2.gz FKRNKDVQKIDFSG-UHFFFAOYSA-N 1 0 422.551 0.832 20 0 HCADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000670545295 1078716019 /nfs/dbraw/zinc/71/60/19/1078716019.db2.gz IMXZSCYSCKDRID-UHFFFAOYSA-N 1 0 410.540 0.688 20 0 HCADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000670545398 1078715124 /nfs/dbraw/zinc/71/51/24/1078715124.db2.gz OMRSUVNEQMRLGS-INIZCTEOSA-N 1 0 401.511 0.469 20 0 HCADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000670545399 1078715003 /nfs/dbraw/zinc/71/50/03/1078715003.db2.gz OMRSUVNEQMRLGS-MRXNPFEDSA-N 1 0 401.511 0.469 20 0 HCADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000670545836 1078725119 /nfs/dbraw/zinc/72/51/19/1078725119.db2.gz VYRUNUCTDXOXHA-HNNXBMFYSA-N 1 0 422.551 0.956 20 0 HCADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)CC1 ZINC000670546064 1078719480 /nfs/dbraw/zinc/71/94/80/1078719480.db2.gz KDACLDQBJVNKEI-GOSISDBHSA-N 1 0 408.930 0.728 20 0 HCADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)CC1 ZINC000670546065 1078719424 /nfs/dbraw/zinc/71/94/24/1078719424.db2.gz KDACLDQBJVNKEI-SFHVURJKSA-N 1 0 408.930 0.728 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccn1 ZINC000670547042 1078732336 /nfs/dbraw/zinc/73/23/36/1078732336.db2.gz QUARFDGCDPWDQT-KRWDZBQOSA-N 1 0 411.510 0.767 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccn1 ZINC000670547043 1078732190 /nfs/dbraw/zinc/73/21/90/1078732190.db2.gz QUARFDGCDPWDQT-QGZVFWFLSA-N 1 0 411.510 0.767 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000670572598 1078849358 /nfs/dbraw/zinc/84/93/58/1078849358.db2.gz UHFJMFYTIBIWFV-UHFFFAOYSA-N 1 0 424.567 0.733 20 0 HCADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)[NH+]1CCCCC1 ZINC000670572756 1078850436 /nfs/dbraw/zinc/85/04/36/1078850436.db2.gz IKQFUBDPFZYOFW-INIZCTEOSA-N 1 0 415.538 0.861 20 0 HCADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)[NH+]1CCCCC1 ZINC000670572757 1078850546 /nfs/dbraw/zinc/85/05/46/1078850546.db2.gz IKQFUBDPFZYOFW-MRXNPFEDSA-N 1 0 415.538 0.861 20 0 HCADRO COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC(CO)(OC)CC1)[NH+]1CCCC1 ZINC000670605652 1078959148 /nfs/dbraw/zinc/95/91/48/1078959148.db2.gz NGCRQELZRWOSAG-GOSISDBHSA-N 1 0 419.522 0.948 20 0 HCADRO COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC(CO)(OC)CC1)[NH+]1CCCC1 ZINC000670605653 1078959007 /nfs/dbraw/zinc/95/90/07/1078959007.db2.gz NGCRQELZRWOSAG-SFHVURJKSA-N 1 0 419.522 0.948 20 0 HCADRO COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1C)[NH+]1CCCC1 ZINC000670605768 1078958472 /nfs/dbraw/zinc/95/84/72/1078958472.db2.gz YWXSJWWMVGKNMJ-DOTOQJQBSA-N 1 0 402.495 0.685 20 0 HCADRO COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCNC(=O)C[C@H]1C)[NH+]1CCCC1 ZINC000670605769 1078958255 /nfs/dbraw/zinc/95/82/55/1078958255.db2.gz YWXSJWWMVGKNMJ-NVXWUHKLSA-N 1 0 402.495 0.685 20 0 HCADRO COc1ccccc1[C@H](CNC(=O)C(=O)N1CCNC(=O)C[C@H]1C)[NH+]1CCCC1 ZINC000670605771 1078958493 /nfs/dbraw/zinc/95/84/93/1078958493.db2.gz YWXSJWWMVGKNMJ-WBVHZDCISA-N 1 0 402.495 0.685 20 0 HCADRO COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1)[NH+]1CCCC1 ZINC000670605894 1078959016 /nfs/dbraw/zinc/95/90/16/1078959016.db2.gz PSCWPAQTWKYPNF-IMFGXOCKSA-N 1 0 418.538 0.784 20 0 HCADRO COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1)[NH+]1CCCC1 ZINC000670605895 1078959181 /nfs/dbraw/zinc/95/91/81/1078959181.db2.gz PSCWPAQTWKYPNF-KPFFTGBYSA-N 1 0 418.538 0.784 20 0 HCADRO COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)[NH+]1CCCC1 ZINC000670605896 1078959035 /nfs/dbraw/zinc/95/90/35/1078959035.db2.gz PSCWPAQTWKYPNF-QRFRQXIXSA-N 1 0 418.538 0.784 20 0 HCADRO COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)[NH+]1CCCC1 ZINC000670605897 1078958954 /nfs/dbraw/zinc/95/89/54/1078958954.db2.gz PSCWPAQTWKYPNF-XKGZKEIXSA-N 1 0 418.538 0.784 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670607805 1078965629 /nfs/dbraw/zinc/96/56/29/1078965629.db2.gz RWMCDXYNJPQXCK-PMACEKPBSA-N 1 0 402.539 0.599 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670607806 1078965586 /nfs/dbraw/zinc/96/55/86/1078965586.db2.gz RWMCDXYNJPQXCK-UXHICEINSA-N 1 0 402.539 0.599 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670607807 1078965653 /nfs/dbraw/zinc/96/56/53/1078965653.db2.gz RWMCDXYNJPQXCK-VQTJNVASSA-N 1 0 402.539 0.599 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670607808 1078965600 /nfs/dbraw/zinc/96/56/00/1078965600.db2.gz RWMCDXYNJPQXCK-WOJBJXKFSA-N 1 0 402.539 0.599 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)Cc1ccccc1 ZINC000670608181 1078965086 /nfs/dbraw/zinc/96/50/86/1078965086.db2.gz SPVIXJNQNIPBKX-GOSISDBHSA-N 1 0 417.554 0.928 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)Cc1ccccc1 ZINC000670608182 1078964951 /nfs/dbraw/zinc/96/49/51/1078964951.db2.gz SPVIXJNQNIPBKX-SFHVURJKSA-N 1 0 417.554 0.928 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000670608247 1078969650 /nfs/dbraw/zinc/96/96/50/1078969650.db2.gz ZNDVDPRQHJWIRV-IBGZPJMESA-N 1 0 418.538 0.277 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000670608248 1078969342 /nfs/dbraw/zinc/96/93/42/1078969342.db2.gz ZNDVDPRQHJWIRV-LJQANCHMSA-N 1 0 418.538 0.277 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000670608395 1078969542 /nfs/dbraw/zinc/96/95/42/1078969542.db2.gz RVGDVZJSSVVXEQ-IBGZPJMESA-N 1 0 410.522 0.723 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000670608396 1078969620 /nfs/dbraw/zinc/96/96/20/1078969620.db2.gz RVGDVZJSSVVXEQ-LJQANCHMSA-N 1 0 410.522 0.723 20 0 HCADRO COc1cccc([C@@H](CNC(=O)C(=O)NCCCN2CCCCC2=O)[NH+](C)C)c1 ZINC000670622010 1079024859 /nfs/dbraw/zinc/02/48/59/1079024859.db2.gz FGGDBBIRHZIALW-GOSISDBHSA-N 1 0 404.511 0.933 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)NCCCN2CCCCC2=O)[NH+](C)C)c1 ZINC000670622011 1079024909 /nfs/dbraw/zinc/02/49/09/1079024909.db2.gz FGGDBBIRHZIALW-SFHVURJKSA-N 1 0 404.511 0.933 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)[NH+](C)C)c1 ZINC000670622076 1079024893 /nfs/dbraw/zinc/02/48/93/1079024893.db2.gz MGDUQOYAHIPALZ-FHWLQOOXSA-N 1 0 405.495 0.821 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)[NH+](C)C)c1 ZINC000670622077 1079024782 /nfs/dbraw/zinc/02/47/82/1079024782.db2.gz MGDUQOYAHIPALZ-GBESFXJTSA-N 1 0 405.495 0.821 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)[NH+](C)C)c1 ZINC000670622078 1079024973 /nfs/dbraw/zinc/02/49/73/1079024973.db2.gz MGDUQOYAHIPALZ-IPMKNSEASA-N 1 0 405.495 0.821 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[NH+](C)C)c1 ZINC000670622079 1079024839 /nfs/dbraw/zinc/02/48/39/1079024839.db2.gz MGDUQOYAHIPALZ-OTWHNJEPSA-N 1 0 405.495 0.821 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)[NH+](C)C)c1 ZINC000670622136 1079024501 /nfs/dbraw/zinc/02/45/01/1079024501.db2.gz TWVBCLUPVYPPOD-PMACEKPBSA-N 1 0 418.538 0.737 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)[NH+](C)C)c1 ZINC000670622137 1079024366 /nfs/dbraw/zinc/02/43/66/1079024366.db2.gz TWVBCLUPVYPPOD-UXHICEINSA-N 1 0 418.538 0.737 20 0 HCADRO COc1cccc([C@@H](CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)[NH+](C)C)c1 ZINC000670622138 1079024449 /nfs/dbraw/zinc/02/44/49/1079024449.db2.gz TWVBCLUPVYPPOD-VQTJNVASSA-N 1 0 418.538 0.737 20 0 HCADRO COc1cccc([C@@H](CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)[NH+](C)C)c1 ZINC000670622139 1079024286 /nfs/dbraw/zinc/02/42/86/1079024286.db2.gz TWVBCLUPVYPPOD-WOJBJXKFSA-N 1 0 418.538 0.737 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCC(OCCCO)CC2)[NH+](C)C)c1 ZINC000670622402 1079023057 /nfs/dbraw/zinc/02/30/57/1079023057.db2.gz NIEGOIWDUBXDSP-IBGZPJMESA-N 1 0 407.511 0.804 20 0 HCADRO COc1cccc([C@@H](CNC(=O)C(=O)N2CCC(OCCCO)CC2)[NH+](C)C)c1 ZINC000670622403 1079023615 /nfs/dbraw/zinc/02/36/15/1079023615.db2.gz NIEGOIWDUBXDSP-LJQANCHMSA-N 1 0 407.511 0.804 20 0 HCADRO CCCN1CCCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1=O ZINC000670622550 1079023174 /nfs/dbraw/zinc/02/31/74/1079023174.db2.gz HDOMHKSWKKGDNT-GOSISDBHSA-N 1 0 404.511 0.885 20 0 HCADRO CCCN1CCCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1=O ZINC000670622551 1079023017 /nfs/dbraw/zinc/02/30/17/1079023017.db2.gz HDOMHKSWKKGDNT-SFHVURJKSA-N 1 0 404.511 0.885 20 0 HCADRO Cc1c([C@H](C)NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000670623384 1079026901 /nfs/dbraw/zinc/02/69/01/1079026901.db2.gz MTZBGHKXACTMLX-KRWDZBQOSA-N 1 0 412.538 0.840 20 0 HCADRO Cc1c([C@@H](C)NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000670623385 1079026747 /nfs/dbraw/zinc/02/67/47/1079026747.db2.gz MTZBGHKXACTMLX-QGZVFWFLSA-N 1 0 412.538 0.840 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000670623498 1079025995 /nfs/dbraw/zinc/02/59/95/1079025995.db2.gz GLLSELNREVHHGL-AZUAARDMSA-N 1 0 402.539 0.994 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000670623499 1079025887 /nfs/dbraw/zinc/02/58/87/1079025887.db2.gz GLLSELNREVHHGL-ICSRJNTNSA-N 1 0 402.539 0.994 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000670623500 1079025828 /nfs/dbraw/zinc/02/58/28/1079025828.db2.gz GLLSELNREVHHGL-QUCCMNQESA-N 1 0 402.539 0.994 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000670623501 1079026043 /nfs/dbraw/zinc/02/60/43/1079026043.db2.gz GLLSELNREVHHGL-UYAOXDASSA-N 1 0 402.539 0.994 20 0 HCADRO CC(C)(C)CN(CCO)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000670623502 1079025980 /nfs/dbraw/zinc/02/59/80/1079025980.db2.gz GNYYJJCGOMWDHV-UHFFFAOYSA-N 1 0 404.555 0.787 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000670623503 1079025674 /nfs/dbraw/zinc/02/56/74/1079025674.db2.gz GSWBHZXHNCUSSF-GOSISDBHSA-N 1 0 402.539 0.852 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000670623504 1079025778 /nfs/dbraw/zinc/02/57/78/1079025778.db2.gz GSWBHZXHNCUSSF-SFHVURJKSA-N 1 0 402.539 0.852 20 0 HCADRO COc1ncccc1CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000670623522 1079025714 /nfs/dbraw/zinc/02/57/14/1079025714.db2.gz MVOTVZJRICAIEW-UHFFFAOYSA-N 1 0 411.506 0.640 20 0 HCADRO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000670623541 1079026270 /nfs/dbraw/zinc/02/62/70/1079026270.db2.gz PRNGZKAJURBSHG-AZUAARDMSA-N 1 0 402.539 0.852 20 0 HCADRO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000670623542 1079026255 /nfs/dbraw/zinc/02/62/55/1079026255.db2.gz PRNGZKAJURBSHG-ICSRJNTNSA-N 1 0 402.539 0.852 20 0 HCADRO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000670623543 1079026310 /nfs/dbraw/zinc/02/63/10/1079026310.db2.gz PRNGZKAJURBSHG-QUCCMNQESA-N 1 0 402.539 0.852 20 0 HCADRO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000670623544 1079026398 /nfs/dbraw/zinc/02/63/98/1079026398.db2.gz PRNGZKAJURBSHG-UYAOXDASSA-N 1 0 402.539 0.852 20 0 HCADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000670623589 1079031099 /nfs/dbraw/zinc/03/10/99/1079031099.db2.gz AVAIGDUYTISOFR-JOCHJYFZSA-N 1 0 400.523 0.559 20 0 HCADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000670623590 1079031141 /nfs/dbraw/zinc/03/11/41/1079031141.db2.gz AVAIGDUYTISOFR-QFIPXVFZSA-N 1 0 400.523 0.559 20 0 HCADRO COc1cccc(CNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000670623613 1079031119 /nfs/dbraw/zinc/03/11/19/1079031119.db2.gz FHHOMPVEFURENX-UHFFFAOYSA-N 1 0 411.506 0.640 20 0 HCADRO COC1(CNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000670623634 1079031353 /nfs/dbraw/zinc/03/13/53/1079031353.db2.gz JRMPTGKKIDUQRH-UHFFFAOYSA-N 1 0 418.538 0.232 20 0 HCADRO CO[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000670623645 1079031157 /nfs/dbraw/zinc/03/11/57/1079031157.db2.gz LIUGSYMGMVCQJT-MOPGFXCFSA-N 1 0 402.539 0.850 20 0 HCADRO CO[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000670623646 1079031754 /nfs/dbraw/zinc/03/17/54/1079031754.db2.gz LIUGSYMGMVCQJT-OALUTQOASA-N 1 0 402.539 0.850 20 0 HCADRO CO[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000670623647 1079031653 /nfs/dbraw/zinc/03/16/53/1079031653.db2.gz LIUGSYMGMVCQJT-RBUKOAKNSA-N 1 0 402.539 0.850 20 0 HCADRO CO[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000670623648 1079031769 /nfs/dbraw/zinc/03/17/69/1079031769.db2.gz LIUGSYMGMVCQJT-RTBURBONSA-N 1 0 402.539 0.850 20 0 HCADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000670623737 1079030638 /nfs/dbraw/zinc/03/06/38/1079030638.db2.gz IXKAFKOLCHBBGE-NRFANRHFSA-N 1 0 424.549 0.981 20 0 HCADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000670623738 1079030810 /nfs/dbraw/zinc/03/08/10/1079030810.db2.gz IXKAFKOLCHBBGE-OAQYLSRUSA-N 1 0 424.549 0.981 20 0 HCADRO CCO[C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670623749 1079030581 /nfs/dbraw/zinc/03/05/81/1079030581.db2.gz MBXKVANSFFUVSL-FQEVSTJZSA-N 1 0 402.539 0.948 20 0 HCADRO CCO[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670623750 1079030590 /nfs/dbraw/zinc/03/05/90/1079030590.db2.gz MBXKVANSFFUVSL-HXUWFJFHSA-N 1 0 402.539 0.948 20 0 HCADRO CCN(C[C@@H]1CCOC1)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000670623769 1079030727 /nfs/dbraw/zinc/03/07/27/1079030727.db2.gz POUHQILGCRFPER-FQEVSTJZSA-N 1 0 402.539 0.805 20 0 HCADRO CCN(C[C@H]1CCOC1)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000670623770 1079030789 /nfs/dbraw/zinc/03/07/89/1079030789.db2.gz POUHQILGCRFPER-HXUWFJFHSA-N 1 0 402.539 0.805 20 0 HCADRO Cc1cn2c(n1)CN(C(=O)C(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000670623813 1079030656 /nfs/dbraw/zinc/03/06/56/1079030656.db2.gz YUWZJXJFRBZTQW-UHFFFAOYSA-N 1 0 410.522 0.468 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1 ZINC000670623950 1079030396 /nfs/dbraw/zinc/03/03/96/1079030396.db2.gz PLPHANJPPKLGIT-MSOLQXFVSA-N 1 0 424.567 0.726 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1 ZINC000670623951 1079030228 /nfs/dbraw/zinc/03/02/28/1079030228.db2.gz PLPHANJPPKLGIT-QZTJIDSGSA-N 1 0 424.567 0.726 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccccc1 ZINC000670623954 1079030275 /nfs/dbraw/zinc/03/02/75/1079030275.db2.gz QLDRBIJNHHIEJQ-KRWDZBQOSA-N 1 0 410.540 0.193 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccccc1 ZINC000670623955 1079030567 /nfs/dbraw/zinc/03/05/67/1079030567.db2.gz QLDRBIJNHHIEJQ-QGZVFWFLSA-N 1 0 410.540 0.193 20 0 HCADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000670623968 1079030920 /nfs/dbraw/zinc/03/09/20/1079030920.db2.gz RZTKZZHJRZDPDG-MSOLQXFVSA-N 1 0 424.567 0.726 20 0 HCADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000670623969 1079030674 /nfs/dbraw/zinc/03/06/74/1079030674.db2.gz RZTKZZHJRZDPDG-QZTJIDSGSA-N 1 0 424.567 0.726 20 0 HCADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000670623970 1079030689 /nfs/dbraw/zinc/03/06/89/1079030689.db2.gz RZTKZZHJRZDPDG-ROUUACIJSA-N 1 0 424.567 0.726 20 0 HCADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000670623971 1079030888 /nfs/dbraw/zinc/03/08/88/1079030888.db2.gz RZTKZZHJRZDPDG-ZWKOTPCHSA-N 1 0 424.567 0.726 20 0 HCADRO NC(=O)c1ccc(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000670625226 1079029927 /nfs/dbraw/zinc/02/99/27/1079029927.db2.gz HVIJGLWACIWBAQ-HNNXBMFYSA-N 1 0 401.492 0.812 20 0 HCADRO NC(=O)c1ccc(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000670625227 1079029730 /nfs/dbraw/zinc/02/97/30/1079029730.db2.gz HVIJGLWACIWBAQ-OAHLLOKOSA-N 1 0 401.492 0.812 20 0 HCADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000670625444 1079029906 /nfs/dbraw/zinc/02/99/06/1079029906.db2.gz MCGLIEUTPBCUCU-AWEZNQCLSA-N 1 0 414.553 0.009 20 0 HCADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000670625445 1079029750 /nfs/dbraw/zinc/02/97/50/1079029750.db2.gz MCGLIEUTPBCUCU-CQSZACIVSA-N 1 0 414.553 0.009 20 0 HCADRO CN(CCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670626928 1079038278 /nfs/dbraw/zinc/03/82/78/1079038278.db2.gz LVNGMEANUJXJDH-GOSISDBHSA-N 1 0 401.555 0.914 20 0 HCADRO CN(CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000670627297 1079037510 /nfs/dbraw/zinc/03/75/10/1079037510.db2.gz YRSPAMCCJVOHBZ-HXUWFJFHSA-N 1 0 401.555 0.868 20 0 HCADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000670628519 1079038509 /nfs/dbraw/zinc/03/85/09/1079038509.db2.gz MQUDFISKRYDKBK-PMACEKPBSA-N 1 0 400.523 0.700 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000670628520 1079038198 /nfs/dbraw/zinc/03/81/98/1079038198.db2.gz MQUDFISKRYDKBK-UXHICEINSA-N 1 0 400.523 0.700 20 0 HCADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000670628521 1079038453 /nfs/dbraw/zinc/03/84/53/1079038453.db2.gz MQUDFISKRYDKBK-VQTJNVASSA-N 1 0 400.523 0.700 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000670628522 1079038339 /nfs/dbraw/zinc/03/83/39/1079038339.db2.gz MQUDFISKRYDKBK-WOJBJXKFSA-N 1 0 400.523 0.700 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628970 1079040295 /nfs/dbraw/zinc/04/02/95/1079040295.db2.gz CJWITCSPAGFSLQ-IBGZPJMESA-N 1 0 408.506 0.824 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628971 1079040715 /nfs/dbraw/zinc/04/07/15/1079040715.db2.gz CJWITCSPAGFSLQ-LJQANCHMSA-N 1 0 408.506 0.824 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670629006 1079040072 /nfs/dbraw/zinc/04/00/72/1079040072.db2.gz KCWRUSJKWHJEQS-IBGZPJMESA-N 1 0 416.522 0.378 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670629007 1079040701 /nfs/dbraw/zinc/04/07/01/1079040701.db2.gz KCWRUSJKWHJEQS-LJQANCHMSA-N 1 0 416.522 0.378 20 0 HCADRO CC[C@@H](NC(=O)C(=O)NC1CC[NH+](CC)CC1)c1ccccc1OCC(=O)NC ZINC000670629935 1079043396 /nfs/dbraw/zinc/04/33/96/1079043396.db2.gz DNDOQXOWXXXVCS-QGZVFWFLSA-N 1 0 404.511 0.979 20 0 HCADRO CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000670630042 1079043011 /nfs/dbraw/zinc/04/30/11/1079043011.db2.gz XUFOASPOXUPPAE-UHFFFAOYSA-N 1 0 408.524 0.443 20 0 HCADRO CCOc1cc(NC2CCN(C(=O)C(=O)NC3CC[NH+](CC)CC3)CC2)ncn1 ZINC000670630100 1079043340 /nfs/dbraw/zinc/04/33/40/1079043340.db2.gz RQBVGFCWUWSNNJ-UHFFFAOYSA-N 1 0 404.515 0.879 20 0 HCADRO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000670630199 1079042479 /nfs/dbraw/zinc/04/24/79/1079042479.db2.gz YKMNUSFIFZYBDI-HNNXBMFYSA-N 1 0 414.514 0.057 20 0 HCADRO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000670630200 1079042520 /nfs/dbraw/zinc/04/25/20/1079042520.db2.gz YKMNUSFIFZYBDI-OAHLLOKOSA-N 1 0 414.514 0.057 20 0 HCADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CCOc3cccc(OC)c3)CC2)CC1 ZINC000670630279 1079042508 /nfs/dbraw/zinc/04/25/08/1079042508.db2.gz WNOLLWMOXCIZDP-UHFFFAOYSA-N 1 0 418.538 0.819 20 0 HCADRO COc1ccccc1CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670630412 1079042543 /nfs/dbraw/zinc/04/25/43/1079042543.db2.gz PSBXFPDJJJFRAH-IBGZPJMESA-N 1 0 402.539 0.981 20 0 HCADRO COc1ccccc1CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670630413 1079042609 /nfs/dbraw/zinc/04/26/09/1079042609.db2.gz PSBXFPDJJJFRAH-LJQANCHMSA-N 1 0 402.539 0.981 20 0 HCADRO COc1cccc([C@@H](CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)[NH+]2CCCC2)c1 ZINC000670632480 1079045773 /nfs/dbraw/zinc/04/57/73/1079045773.db2.gz GPFRWSPRPCIRLR-CRAIPNDOSA-N 1 0 402.495 0.685 20 0 HCADRO COc1cccc([C@@H](CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000670632481 1079045855 /nfs/dbraw/zinc/04/58/55/1079045855.db2.gz GPFRWSPRPCIRLR-MAUKXSAKSA-N 1 0 402.495 0.685 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)[NH+]2CCCC2)c1 ZINC000670632482 1079045842 /nfs/dbraw/zinc/04/58/42/1079045842.db2.gz GPFRWSPRPCIRLR-QAPCUYQASA-N 1 0 402.495 0.685 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000670632483 1079045719 /nfs/dbraw/zinc/04/57/19/1079045719.db2.gz GPFRWSPRPCIRLR-YJBOKZPZSA-N 1 0 402.495 0.685 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCC(CO)(OC)CC2)[NH+]2CCCC2)c1 ZINC000670632738 1079055760 /nfs/dbraw/zinc/05/57/60/1079055760.db2.gz RMBYAOUPTGSKIA-IBGZPJMESA-N 1 0 419.522 0.948 20 0 HCADRO COc1cccc([C@@H](CNC(=O)C(=O)N2CCC(CO)(OC)CC2)[NH+]2CCCC2)c1 ZINC000670632739 1079055909 /nfs/dbraw/zinc/05/59/09/1079055909.db2.gz RMBYAOUPTGSKIA-LJQANCHMSA-N 1 0 419.522 0.948 20 0 HCADRO CCn1ncnc1CNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000670632830 1079055337 /nfs/dbraw/zinc/05/53/37/1079055337.db2.gz CZAWSLYNLXFQJD-KRWDZBQOSA-N 1 0 400.483 0.876 20 0 HCADRO CCn1ncnc1CNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000670632831 1079055479 /nfs/dbraw/zinc/05/54/79/1079055479.db2.gz CZAWSLYNLXFQJD-QGZVFWFLSA-N 1 0 400.483 0.876 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)[NH+]2CCCC2)c1 ZINC000670632926 1079049285 /nfs/dbraw/zinc/04/92/85/1079049285.db2.gz QRCWUVCHARRDFH-FFZOFVMBSA-N 1 0 418.538 0.784 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)[NH+]2CCCC2)c1 ZINC000670632927 1079049396 /nfs/dbraw/zinc/04/93/96/1079049396.db2.gz QRCWUVCHARRDFH-LSTHTHJFSA-N 1 0 418.538 0.784 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)[NH+]2CCCC2)c1 ZINC000670632928 1079049181 /nfs/dbraw/zinc/04/91/81/1079049181.db2.gz QRCWUVCHARRDFH-UXPWSPDFSA-N 1 0 418.538 0.784 20 0 HCADRO COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)[NH+]2CCCC2)c1 ZINC000670632929 1079049370 /nfs/dbraw/zinc/04/93/70/1079049370.db2.gz QRCWUVCHARRDFH-VDGAXYAQSA-N 1 0 418.538 0.784 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000670634841 1079059281 /nfs/dbraw/zinc/05/92/81/1079059281.db2.gz BNKIYWSTMLNGGT-UHFFFAOYSA-N 1 0 408.543 0.466 20 0 HCADRO CN(C(=O)C(=O)NCCCN1CCCCCC1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670635178 1079058167 /nfs/dbraw/zinc/05/81/67/1079058167.db2.gz NZSWLOTVRCGYTH-LJQANCHMSA-N 1 0 421.586 0.522 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCCN3CCCCCC3=O)C2)CC1 ZINC000670635289 1079054548 /nfs/dbraw/zinc/05/45/48/1079054548.db2.gz SKXJDOZAGYFPLY-QGZVFWFLSA-N 1 0 407.559 0.180 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670635346 1079054583 /nfs/dbraw/zinc/05/45/83/1079054583.db2.gz UPWANQCDYDUFAL-GOSISDBHSA-N 1 0 408.543 0.466 20 0 HCADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)NCCCN3CCCCCC3=O)CC2)CC1 ZINC000670635371 1079054665 /nfs/dbraw/zinc/05/46/65/1079054665.db2.gz VGIKGZKMHPQLNA-UHFFFAOYSA-N 1 0 421.586 0.570 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670635537 1079054600 /nfs/dbraw/zinc/05/46/00/1079054600.db2.gz BBJBMNIWWJAKCR-GOSISDBHSA-N 1 0 409.575 0.285 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670635538 1079054688 /nfs/dbraw/zinc/05/46/88/1079054688.db2.gz BBJBMNIWWJAKCR-SFHVURJKSA-N 1 0 409.575 0.285 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)NCCCN3CCCCCC3=O)CC2)CC1 ZINC000670635726 1079057649 /nfs/dbraw/zinc/05/76/49/1079057649.db2.gz INJOOPGMMRWCCE-UHFFFAOYSA-N 1 0 421.586 0.381 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCN1CCCCCC1=O ZINC000670635884 1079063462 /nfs/dbraw/zinc/06/34/62/1079063462.db2.gz NHYISOPISGEZBS-UHFFFAOYSA-N 1 0 409.575 0.380 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCN3CCCCCC3=O)CC2)c1 ZINC000670635989 1079062959 /nfs/dbraw/zinc/06/29/59/1079062959.db2.gz QYXLRPNEKMQQAZ-UHFFFAOYSA-N 1 0 417.510 0.648 20 0 HCADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCN1CCCCCC1=O ZINC000670636249 1079062635 /nfs/dbraw/zinc/06/26/35/1079062635.db2.gz ZUURDKWFNLZBHS-KRWDZBQOSA-N 1 0 408.543 0.607 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000670636258 1079062593 /nfs/dbraw/zinc/06/25/93/1079062593.db2.gz AEUPMOSTELIBAQ-MOPGFXCFSA-N 1 0 421.586 0.380 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000670636259 1079062677 /nfs/dbraw/zinc/06/26/77/1079062677.db2.gz AEUPMOSTELIBAQ-OALUTQOASA-N 1 0 421.586 0.380 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000670636260 1079062587 /nfs/dbraw/zinc/06/25/87/1079062587.db2.gz AEUPMOSTELIBAQ-RBUKOAKNSA-N 1 0 421.586 0.380 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000670636261 1079062674 /nfs/dbraw/zinc/06/26/74/1079062674.db2.gz AEUPMOSTELIBAQ-RTBURBONSA-N 1 0 421.586 0.380 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670636275 1079061863 /nfs/dbraw/zinc/06/18/63/1079061863.db2.gz ANIUWOLAPGFHNO-UHFFFAOYSA-N 1 0 410.559 0.901 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000670637256 1079064642 /nfs/dbraw/zinc/06/46/42/1079064642.db2.gz GOIKESXCRSHQFC-UHFFFAOYSA-N 1 0 422.570 0.999 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000670637333 1079064244 /nfs/dbraw/zinc/06/42/44/1079064244.db2.gz IYGSWNCALAMEMI-UHFFFAOYSA-N 1 0 408.543 0.466 20 0 HCADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670637467 1079063326 /nfs/dbraw/zinc/06/33/26/1079063326.db2.gz MRMUSDQOCUEUDH-UHFFFAOYSA-N 1 0 410.559 0.901 20 0 HCADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670637542 1079063777 /nfs/dbraw/zinc/06/37/77/1079063777.db2.gz PEPWQKFBBFFJMV-UHFFFAOYSA-N 1 0 410.559 0.855 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)NCCCN1CCCCCC1=O)N1CC[NH+](C)CC1 ZINC000670637679 1079072331 /nfs/dbraw/zinc/07/23/31/1079072331.db2.gz UBMKDNVICWDWTG-GOSISDBHSA-N 1 0 409.575 0.284 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)NCCCN1CCCCCC1=O)N1CC[NH+](C)CC1 ZINC000670637680 1079072300 /nfs/dbraw/zinc/07/23/00/1079072300.db2.gz UBMKDNVICWDWTG-SFHVURJKSA-N 1 0 409.575 0.284 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000670637701 1079072170 /nfs/dbraw/zinc/07/21/70/1079072170.db2.gz UPWANQCDYDUFAL-SFHVURJKSA-N 1 0 408.543 0.466 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000670637938 1079077335 /nfs/dbraw/zinc/07/73/35/1079077335.db2.gz CGFWEWLLOATHRG-QGZVFWFLSA-N 1 0 408.543 0.512 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCN3CCCCCC3=O)CC2)C1 ZINC000670638054 1079074921 /nfs/dbraw/zinc/07/49/21/1079074921.db2.gz GZNYOICSXOYVSD-GOSISDBHSA-N 1 0 407.559 0.134 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCCN3CCCCCC3=O)CC2)C1 ZINC000670638055 1079075018 /nfs/dbraw/zinc/07/50/18/1079075018.db2.gz GZNYOICSXOYVSD-SFHVURJKSA-N 1 0 407.559 0.134 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000670638913 1079079894 /nfs/dbraw/zinc/07/98/94/1079079894.db2.gz UUJMHDBWMOCTQE-MOPGFXCFSA-N 1 0 422.570 0.779 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000670638914 1079079928 /nfs/dbraw/zinc/07/99/28/1079079928.db2.gz UUJMHDBWMOCTQE-OALUTQOASA-N 1 0 422.570 0.779 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000670638915 1079080023 /nfs/dbraw/zinc/08/00/23/1079080023.db2.gz UUJMHDBWMOCTQE-RBUKOAKNSA-N 1 0 422.570 0.779 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000670638916 1079079965 /nfs/dbraw/zinc/07/99/65/1079079965.db2.gz UUJMHDBWMOCTQE-RTBURBONSA-N 1 0 422.570 0.779 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670638943 1079080373 /nfs/dbraw/zinc/08/03/73/1079080373.db2.gz WARMBRHCDKTIJQ-IBGZPJMESA-N 1 0 421.586 0.524 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670638944 1079080342 /nfs/dbraw/zinc/08/03/42/1079080342.db2.gz WARMBRHCDKTIJQ-LJQANCHMSA-N 1 0 421.586 0.524 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCN1CCCCCC1=O ZINC000670638992 1079080355 /nfs/dbraw/zinc/08/03/55/1079080355.db2.gz ZUURDKWFNLZBHS-QGZVFWFLSA-N 1 0 408.543 0.607 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000670640418 1079078747 /nfs/dbraw/zinc/07/87/47/1079078747.db2.gz NLRAIZCPFZPFEZ-HNNXBMFYSA-N 1 0 407.515 0.348 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000670640419 1079078614 /nfs/dbraw/zinc/07/86/14/1079078614.db2.gz NLRAIZCPFZPFEZ-OAHLLOKOSA-N 1 0 407.515 0.348 20 0 HCADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670640597 1079086503 /nfs/dbraw/zinc/08/65/03/1079086503.db2.gz DWVBFLMHGRCMTM-CABCVRRESA-N 1 0 405.499 0.100 20 0 HCADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670640598 1079086716 /nfs/dbraw/zinc/08/67/16/1079086716.db2.gz DWVBFLMHGRCMTM-GJZGRUSLSA-N 1 0 405.499 0.100 20 0 HCADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670640599 1079086551 /nfs/dbraw/zinc/08/65/51/1079086551.db2.gz DWVBFLMHGRCMTM-HUUCEWRRSA-N 1 0 405.499 0.100 20 0 HCADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670640600 1079086517 /nfs/dbraw/zinc/08/65/17/1079086517.db2.gz DWVBFLMHGRCMTM-LSDHHAIUSA-N 1 0 405.499 0.100 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000670640651 1079087169 /nfs/dbraw/zinc/08/71/69/1079087169.db2.gz PJXZTTYFROWUDT-HNNXBMFYSA-N 1 0 407.515 0.346 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000670640652 1079094186 /nfs/dbraw/zinc/09/41/86/1079094186.db2.gz PJXZTTYFROWUDT-OAHLLOKOSA-N 1 0 407.515 0.346 20 0 HCADRO 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1078541240 /nfs/dbraw/zinc/54/12/40/1078541240.db2.gz LKJIPMIUMIIEQV-UHFFFAOYSA-N 1 0 422.551 0.296 20 0 HCADRO Cn1ccnc1[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670730738 1078544385 /nfs/dbraw/zinc/54/43/85/1078544385.db2.gz KOOLRLQQJSIYLM-AZUAARDMSA-N 1 0 424.549 0.910 20 0 HCADRO Cn1ccnc1[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670730739 1078544544 /nfs/dbraw/zinc/54/45/44/1078544544.db2.gz KOOLRLQQJSIYLM-ICSRJNTNSA-N 1 0 424.549 0.910 20 0 HCADRO Cn1ccnc1[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670730740 1078544455 /nfs/dbraw/zinc/54/44/55/1078544455.db2.gz KOOLRLQQJSIYLM-QUCCMNQESA-N 1 0 424.549 0.910 20 0 HCADRO Cn1ccnc1[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670730741 1078544258 /nfs/dbraw/zinc/54/42/58/1078544258.db2.gz KOOLRLQQJSIYLM-UYAOXDASSA-N 1 0 424.549 0.910 20 0 HCADRO Cn1ccnc1[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000670731206 1078541250 /nfs/dbraw/zinc/54/12/50/1078541250.db2.gz ISNQVCJHVTVHDT-PMACEKPBSA-N 1 0 424.549 0.864 20 0 HCADRO Cn1ccnc1[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000670731207 1078541508 /nfs/dbraw/zinc/54/15/08/1078541508.db2.gz ISNQVCJHVTVHDT-UXHICEINSA-N 1 0 424.549 0.864 20 0 HCADRO Cn1ccnc1[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000670731208 1078541810 /nfs/dbraw/zinc/54/18/10/1078541810.db2.gz ISNQVCJHVTVHDT-VQTJNVASSA-N 1 0 424.549 0.864 20 0 HCADRO Cn1ccnc1[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000670731209 1078541668 /nfs/dbraw/zinc/54/16/68/1078541668.db2.gz ISNQVCJHVTVHDT-WOJBJXKFSA-N 1 0 424.549 0.864 20 0 HCADRO O=C(NCc1nnc2ccc(C(F)(F)F)cn21)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670734679 1078562597 /nfs/dbraw/zinc/56/25/97/1078562597.db2.gz QRQICYUDQQFNOM-CYBMUJFWSA-N 1 0 410.400 0.965 20 0 HCADRO O=C(NCc1nnc2ccc(C(F)(F)F)cn21)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670734680 1078562652 /nfs/dbraw/zinc/56/26/52/1078562652.db2.gz QRQICYUDQQFNOM-ZDUSSCGKSA-N 1 0 410.400 0.965 20 0 HCADRO CN(CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670737729 1078574596 /nfs/dbraw/zinc/57/45/96/1078574596.db2.gz IIRDHPLTBXHUIN-FQEVSTJZSA-N 1 0 401.555 0.866 20 0 HCADRO CN(CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670737730 1078574556 /nfs/dbraw/zinc/57/45/56/1078574556.db2.gz IIRDHPLTBXHUIN-HXUWFJFHSA-N 1 0 401.555 0.866 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCN(C)c1ccccc1 ZINC000670738108 1078577406 /nfs/dbraw/zinc/57/74/06/1078577406.db2.gz XSYOCESUYBEOCT-GOSISDBHSA-N 1 0 403.527 0.298 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCN(C)c1ccccc1 ZINC000670738109 1078577571 /nfs/dbraw/zinc/57/75/71/1078577571.db2.gz XSYOCESUYBEOCT-SFHVURJKSA-N 1 0 403.527 0.298 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCNC(=O)C[C@H]1C)c1cccc(OC)c1 ZINC000670738450 1078576292 /nfs/dbraw/zinc/57/62/92/1078576292.db2.gz MYKVSNGRKBLZCZ-CRAIPNDOSA-N 1 0 404.511 0.931 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1C)c1cccc(OC)c1 ZINC000670738451 1078576373 /nfs/dbraw/zinc/57/63/73/1078576373.db2.gz MYKVSNGRKBLZCZ-MAUKXSAKSA-N 1 0 404.511 0.931 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCNC(=O)C[C@H]1C)c1cccc(OC)c1 ZINC000670738452 1078576309 /nfs/dbraw/zinc/57/63/09/1078576309.db2.gz MYKVSNGRKBLZCZ-QAPCUYQASA-N 1 0 404.511 0.931 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1C)c1cccc(OC)c1 ZINC000670738453 1078576204 /nfs/dbraw/zinc/57/62/04/1078576204.db2.gz MYKVSNGRKBLZCZ-YJBOKZPZSA-N 1 0 404.511 0.931 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)N2CCOCC2)o1 ZINC000670738816 1078591640 /nfs/dbraw/zinc/59/16/40/1078591640.db2.gz BICSDZDEBTZKEA-MSOLQXFVSA-N 1 0 404.511 0.678 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)N2CCOCC2)o1 ZINC000670738817 1078591889 /nfs/dbraw/zinc/59/18/89/1078591889.db2.gz BICSDZDEBTZKEA-QZTJIDSGSA-N 1 0 404.511 0.678 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)N2CCOCC2)o1 ZINC000670738818 1078591758 /nfs/dbraw/zinc/59/17/58/1078591758.db2.gz BICSDZDEBTZKEA-ROUUACIJSA-N 1 0 404.511 0.678 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)N2CCOCC2)o1 ZINC000670738819 1078591990 /nfs/dbraw/zinc/59/19/90/1078591990.db2.gz BICSDZDEBTZKEA-ZWKOTPCHSA-N 1 0 404.511 0.678 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)N2CCOCC2)o1 ZINC000670739046 1078591266 /nfs/dbraw/zinc/59/12/66/1078591266.db2.gz JJEFSLBETVXLND-BZSNNMDCSA-N 1 0 404.511 0.821 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCOCC2)o1 ZINC000670739047 1078591158 /nfs/dbraw/zinc/59/11/58/1078591158.db2.gz JJEFSLBETVXLND-KSZLIROESA-N 1 0 404.511 0.821 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCOCC2)o1 ZINC000670739048 1078591230 /nfs/dbraw/zinc/59/12/30/1078591230.db2.gz JJEFSLBETVXLND-KURKYZTESA-N 1 0 404.511 0.821 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)N2CCOCC2)o1 ZINC000670739049 1078591138 /nfs/dbraw/zinc/59/11/38/1078591138.db2.gz JJEFSLBETVXLND-SQNIBIBYSA-N 1 0 404.511 0.821 20 0 HCADRO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)CC1 ZINC000670739302 1078589319 /nfs/dbraw/zinc/58/93/19/1078589319.db2.gz YBOYHMOCZJTVRT-GOSISDBHSA-N 1 0 406.527 0.926 20 0 HCADRO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 ZINC000670739303 1078589171 /nfs/dbraw/zinc/58/91/71/1078589171.db2.gz YBOYHMOCZJTVRT-SFHVURJKSA-N 1 0 406.527 0.926 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)N2CCOCC2)o1 ZINC000670739434 1078582044 /nfs/dbraw/zinc/58/20/44/1078582044.db2.gz QOBKPHFQUDWPJZ-AEFFLSMTSA-N 1 0 406.527 0.924 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)N2CCOCC2)o1 ZINC000670739435 1078581961 /nfs/dbraw/zinc/58/19/61/1078581961.db2.gz QOBKPHFQUDWPJZ-FUHWJXTLSA-N 1 0 406.527 0.924 20 0 HCADRO Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)N2CCOCC2)o1 ZINC000670739436 1078581990 /nfs/dbraw/zinc/58/19/90/1078581990.db2.gz QOBKPHFQUDWPJZ-SJLPKXTDSA-N 1 0 406.527 0.924 20 0 HCADRO Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)N2CCOCC2)o1 ZINC000670739437 1078582091 /nfs/dbraw/zinc/58/20/91/1078582091.db2.gz QOBKPHFQUDWPJZ-WMZOPIPTSA-N 1 0 406.527 0.924 20 0 HCADRO COc1cc(OC)cc([C@@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)c2nccn2C)c1 ZINC000670739780 1078585474 /nfs/dbraw/zinc/58/54/74/1078585474.db2.gz JPWXDODWLFRYCR-MAUKXSAKSA-N 1 0 415.494 0.853 20 0 HCADRO COc1cc(OC)cc([C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)c2nccn2C)c1 ZINC000670739781 1078585313 /nfs/dbraw/zinc/58/53/13/1078585313.db2.gz JPWXDODWLFRYCR-QAPCUYQASA-N 1 0 415.494 0.853 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000670740163 1078594751 /nfs/dbraw/zinc/59/47/51/1078594751.db2.gz BKILAQVWCDVUAR-KRWDZBQOSA-N 1 0 408.524 0.047 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000670740164 1078594650 /nfs/dbraw/zinc/59/46/50/1078594650.db2.gz BKILAQVWCDVUAR-QGZVFWFLSA-N 1 0 408.524 0.047 20 0 HCADRO CC[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)CC1 ZINC000670740420 1078588073 /nfs/dbraw/zinc/58/80/73/1078588073.db2.gz LTNZQKLKZHRSPW-UHFFFAOYSA-N 1 0 424.567 0.590 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000670740424 1078588052 /nfs/dbraw/zinc/58/80/52/1078588052.db2.gz LWYDHWLGCRPDRU-KRWDZBQOSA-N 1 0 410.540 0.343 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000670740425 1078588128 /nfs/dbraw/zinc/58/81/28/1078588128.db2.gz LWYDHWLGCRPDRU-QGZVFWFLSA-N 1 0 410.540 0.343 20 0 HCADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000670740548 1078585277 /nfs/dbraw/zinc/58/52/77/1078585277.db2.gz PKBLCXVMKFFSGR-KRWDZBQOSA-N 1 0 410.540 0.343 20 0 HCADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000670740549 1078586109 /nfs/dbraw/zinc/58/61/09/1078586109.db2.gz PKBLCXVMKFFSGR-QGZVFWFLSA-N 1 0 410.540 0.343 20 0 HCADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000670740580 1078585898 /nfs/dbraw/zinc/58/58/98/1078585898.db2.gz QJJZGZDAPLNSDV-GOSISDBHSA-N 1 0 424.567 0.733 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000670740663 1078585203 /nfs/dbraw/zinc/58/52/03/1078585203.db2.gz UPUFAPDMENXOPR-HOTGVXAUSA-N 1 0 424.567 0.731 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000670740664 1078585223 /nfs/dbraw/zinc/58/52/23/1078585223.db2.gz UPUFAPDMENXOPR-HZPDHXFCSA-N 1 0 424.567 0.731 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000670740665 1078585386 /nfs/dbraw/zinc/58/53/86/1078585386.db2.gz UPUFAPDMENXOPR-IYBDPMFKSA-N 1 0 424.567 0.731 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000670740672 1078596731 /nfs/dbraw/zinc/59/67/31/1078596731.db2.gz UZXGZHUNYMKPEZ-UHFFFAOYSA-N 1 0 408.524 0.095 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000670740875 1078610805 /nfs/dbraw/zinc/61/08/05/1078610805.db2.gz BBGJPBUUQUVVSU-UHFFFAOYSA-N 1 0 424.567 0.590 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000670740934 1078610847 /nfs/dbraw/zinc/61/08/47/1078610847.db2.gz CNUQORNAZBPUSB-KRWDZBQOSA-N 1 0 408.524 0.049 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000670740935 1078610932 /nfs/dbraw/zinc/61/09/32/1078610932.db2.gz CNUQORNAZBPUSB-QGZVFWFLSA-N 1 0 408.524 0.049 20 0 HCADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000670741018 1078609548 /nfs/dbraw/zinc/60/95/48/1078609548.db2.gz GJIAHGDBTHQFDE-MSOLQXFVSA-N 1 0 422.551 0.437 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC000670741019 1078609226 /nfs/dbraw/zinc/60/92/26/1078609226.db2.gz GNGQIZXAINIJON-UHFFFAOYSA-N 1 0 412.556 0.398 20 0 HCADRO CCCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)CC1 ZINC000670741034 1078610019 /nfs/dbraw/zinc/61/00/19/1078610019.db2.gz HBOMXPXEBGGTDK-UHFFFAOYSA-N 1 0 424.567 0.733 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000670741054 1078610066 /nfs/dbraw/zinc/61/00/66/1078610066.db2.gz HYEMTNHICRFPOZ-UHFFFAOYSA-N 1 0 410.540 0.295 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000670741057 1078610033 /nfs/dbraw/zinc/61/00/33/1078610033.db2.gz HZTUBTADMXJPTA-INIZCTEOSA-N 1 0 424.567 0.733 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000670741058 1078610105 /nfs/dbraw/zinc/61/01/05/1078610105.db2.gz HZTUBTADMXJPTA-MRXNPFEDSA-N 1 0 424.567 0.733 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000670741088 1078610071 /nfs/dbraw/zinc/61/00/71/1078610071.db2.gz IUWSZTFMLDLFHW-UHFFFAOYSA-N 1 0 410.540 0.295 20 0 HCADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)CC1 ZINC000670741199 1078608207 /nfs/dbraw/zinc/60/82/07/1078608207.db2.gz LHBLNWPQNRSUTG-UHFFFAOYSA-N 1 0 424.567 0.685 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000670741254 1078600869 /nfs/dbraw/zinc/60/08/69/1078600869.db2.gz MQMYGZDXNXNKHU-UHFFFAOYSA-N 1 0 422.551 0.439 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000670741304 1078601369 /nfs/dbraw/zinc/60/13/69/1078601369.db2.gz OJDCABRQWMIYAP-CVEARBPZSA-N 1 0 424.567 0.589 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000670741305 1078601612 /nfs/dbraw/zinc/60/16/12/1078601612.db2.gz OJDCABRQWMIYAP-HOTGVXAUSA-N 1 0 424.567 0.589 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000670741306 1078601686 /nfs/dbraw/zinc/60/16/86/1078601686.db2.gz OJDCABRQWMIYAP-HZPDHXFCSA-N 1 0 424.567 0.589 20 0 HCADRO 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CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000670741476 1078598949 /nfs/dbraw/zinc/59/89/49/1078598949.db2.gz UHTFPBZBSVEIEI-RHSMWYFYSA-N 1 0 410.540 0.293 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000670741477 1078599130 /nfs/dbraw/zinc/59/91/30/1078599130.db2.gz UHTFPBZBSVEIEI-WMLDXEAASA-N 1 0 410.540 0.293 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000670741478 1078599060 /nfs/dbraw/zinc/59/90/60/1078599060.db2.gz UHTFPBZBSVEIEI-YOEHRIQHSA-N 1 0 410.540 0.293 20 0 HCADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C1 ZINC000670741501 1078599520 /nfs/dbraw/zinc/59/95/20/1078599520.db2.gz VHDAVPUIVONRNZ-KRWDZBQOSA-N 1 0 410.540 0.295 20 0 HCADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C1 ZINC000670741502 1078599566 /nfs/dbraw/zinc/59/95/66/1078599566.db2.gz VHDAVPUIVONRNZ-QGZVFWFLSA-N 1 0 410.540 0.295 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000670741522 1078599699 /nfs/dbraw/zinc/59/96/99/1078599699.db2.gz VUYYLDWKYAPQBC-HNNXBMFYSA-N 1 0 410.540 0.343 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000670741523 1078599537 /nfs/dbraw/zinc/59/95/37/1078599537.db2.gz VUYYLDWKYAPQBC-OAHLLOKOSA-N 1 0 410.540 0.343 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000670741562 1078597312 /nfs/dbraw/zinc/59/73/12/1078597312.db2.gz WUYUKNQYRCSNEU-UHFFFAOYSA-N 1 0 424.567 0.542 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000670741573 1078597937 /nfs/dbraw/zinc/59/79/37/1078597937.db2.gz XCAMGVKOYWDJMU-UHFFFAOYSA-N 1 0 424.567 0.590 20 0 HCADRO CCC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)CC1 ZINC000670741584 1078597970 /nfs/dbraw/zinc/59/79/70/1078597970.db2.gz XNIJISOBDVBDOA-UHFFFAOYSA-N 1 0 424.567 0.590 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000670741648 1078598539 /nfs/dbraw/zinc/59/85/39/1078598539.db2.gz YYKAYNLHTMXZHU-UHFFFAOYSA-N 1 0 424.567 0.589 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000670741699 1078606365 /nfs/dbraw/zinc/60/63/65/1078606365.db2.gz AUJUGLFQFQTQOJ-INIZCTEOSA-N 1 0 424.567 0.589 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000670741700 1078606382 /nfs/dbraw/zinc/60/63/82/1078606382.db2.gz AUJUGLFQFQTQOJ-MRXNPFEDSA-N 1 0 424.567 0.589 20 0 HCADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C1 ZINC000670741745 1078607126 /nfs/dbraw/zinc/60/71/26/1078607126.db2.gz BONVIGNLPZYAKT-KRWDZBQOSA-N 1 0 410.540 0.200 20 0 HCADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C1 ZINC000670741746 1078607173 /nfs/dbraw/zinc/60/71/73/1078607173.db2.gz BONVIGNLPZYAKT-QGZVFWFLSA-N 1 0 410.540 0.200 20 0 HCADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)[C@H](C)C1 ZINC000670741851 1078605325 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/nfs/dbraw/zinc/60/56/48/1078605648.db2.gz FUKYQPINRJBXBH-OAHLLOKOSA-N 1 0 424.567 0.541 20 0 HCADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000670741899 1078606202 /nfs/dbraw/zinc/60/62/02/1078606202.db2.gz GHNZXMPTEKXWPH-UHFFFAOYSA-N 1 0 424.567 0.686 20 0 HCADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C1 ZINC000670741933 1078606326 /nfs/dbraw/zinc/60/63/26/1078606326.db2.gz HOIQFCOLSWMBPC-GOSISDBHSA-N 1 0 424.567 0.542 20 0 HCADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C1 ZINC000670741934 1078606306 /nfs/dbraw/zinc/60/63/06/1078606306.db2.gz HOIQFCOLSWMBPC-SFHVURJKSA-N 1 0 424.567 0.542 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000670741935 1078606206 /nfs/dbraw/zinc/60/62/06/1078606206.db2.gz HOQJNMQZTYYUMV-UHFFFAOYSA-N 1 0 410.540 0.343 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000670741945 1078606199 /nfs/dbraw/zinc/60/61/99/1078606199.db2.gz HUVIVAMVEMOEBL-UHFFFAOYSA-N 1 0 410.540 0.152 20 0 HCADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C[C@H]1C ZINC000670741960 1078606237 /nfs/dbraw/zinc/60/62/37/1078606237.db2.gz HYKZSOJBYYBWNZ-CRAIPNDOSA-N 1 0 424.567 0.683 20 0 HCADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C[C@@H]1C ZINC000670741961 1078606351 /nfs/dbraw/zinc/60/63/51/1078606351.db2.gz HYKZSOJBYYBWNZ-MAUKXSAKSA-N 1 0 424.567 0.683 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C[C@H]1C ZINC000670741962 1078606256 /nfs/dbraw/zinc/60/62/56/1078606256.db2.gz HYKZSOJBYYBWNZ-QAPCUYQASA-N 1 0 424.567 0.683 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C[C@@H]1C ZINC000670741963 1078606217 /nfs/dbraw/zinc/60/62/17/1078606217.db2.gz HYKZSOJBYYBWNZ-YJBOKZPZSA-N 1 0 424.567 0.683 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000670742028 1078604887 /nfs/dbraw/zinc/60/48/87/1078604887.db2.gz JNGFIVNDLYPSCI-GOSISDBHSA-N 1 0 422.551 0.439 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000670742029 1078605126 /nfs/dbraw/zinc/60/51/26/1078605126.db2.gz JNGFIVNDLYPSCI-SFHVURJKSA-N 1 0 422.551 0.439 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000670742054 1078605135 /nfs/dbraw/zinc/60/51/35/1078605135.db2.gz KHSSITOJYGUXKA-UHFFFAOYSA-N 1 0 410.540 0.341 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000670742075 1078605149 /nfs/dbraw/zinc/60/51/49/1078605149.db2.gz KWPYODFMFHGBBB-KRWDZBQOSA-N 1 0 410.540 0.152 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000670742076 1078605059 /nfs/dbraw/zinc/60/50/59/1078605059.db2.gz KWPYODFMFHGBBB-QGZVFWFLSA-N 1 0 410.540 0.152 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000670742078 1078605082 /nfs/dbraw/zinc/60/50/82/1078605082.db2.gz KYSQBONVILQJQE-MSOLQXFVSA-N 1 0 422.551 0.295 20 0 HCADRO 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ZINC000670742390 1078603197 /nfs/dbraw/zinc/60/31/97/1078603197.db2.gz UDFGHXBVKQURAK-AWEZNQCLSA-N 1 0 412.556 0.445 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000670742391 1078603028 /nfs/dbraw/zinc/60/30/28/1078603028.db2.gz UDFGHXBVKQURAK-CQSZACIVSA-N 1 0 412.556 0.445 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000670742498 1078612247 /nfs/dbraw/zinc/61/22/47/1078612247.db2.gz XDXCHLUIBJWKDP-INIZCTEOSA-N 1 0 424.567 0.590 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000670742499 1078612811 /nfs/dbraw/zinc/61/28/11/1078612811.db2.gz XDXCHLUIBJWKDP-MRXNPFEDSA-N 1 0 424.567 0.590 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000670742539 1078612844 /nfs/dbraw/zinc/61/28/44/1078612844.db2.gz YNMDUEWVCVKIKT-GOSISDBHSA-N 1 0 424.567 0.685 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000670742540 1078612925 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FDGZPWFEGYRVIV-HOTGVXAUSA-N 1 0 424.567 0.589 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000670742645 1078611735 /nfs/dbraw/zinc/61/17/35/1078611735.db2.gz FDGZPWFEGYRVIV-HZPDHXFCSA-N 1 0 424.567 0.589 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000670742646 1078611651 /nfs/dbraw/zinc/61/16/51/1078611651.db2.gz FDGZPWFEGYRVIV-JKSUJKDBSA-N 1 0 424.567 0.589 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000670742655 1078612095 /nfs/dbraw/zinc/61/20/95/1078612095.db2.gz GHJFAQNIUVNWPC-UHFFFAOYSA-N 1 0 422.551 0.343 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C1 ZINC000670742670 1078612144 /nfs/dbraw/zinc/61/21/44/1078612144.db2.gz HJKOPRCIOAQRAI-KRWDZBQOSA-N 1 0 410.540 0.152 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C1 ZINC000670742671 1078612337 /nfs/dbraw/zinc/61/23/37/1078612337.db2.gz HJKOPRCIOAQRAI-QGZVFWFLSA-N 1 0 410.540 0.152 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000670742691 1078620998 /nfs/dbraw/zinc/62/09/98/1078620998.db2.gz IPRHXTNDAIJJNM-PBHICJAKSA-N 1 0 410.540 0.151 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000670742692 1078621112 /nfs/dbraw/zinc/62/11/12/1078621112.db2.gz IPRHXTNDAIJJNM-RHSMWYFYSA-N 1 0 410.540 0.151 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000670742693 1078621224 /nfs/dbraw/zinc/62/12/24/1078621224.db2.gz IPRHXTNDAIJJNM-WMLDXEAASA-N 1 0 410.540 0.151 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000670742694 1078621208 /nfs/dbraw/zinc/62/12/08/1078621208.db2.gz IPRHXTNDAIJJNM-YOEHRIQHSA-N 1 0 410.540 0.151 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000670742712 1078617229 /nfs/dbraw/zinc/61/72/29/1078617229.db2.gz JEFZYLQHNSEUDR-UHFFFAOYSA-N 1 0 410.540 0.296 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000670742747 1078618452 /nfs/dbraw/zinc/61/84/52/1078618452.db2.gz LDKXRJULDKCRLX-GOSISDBHSA-N 1 0 422.551 0.485 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000670742748 1078618331 /nfs/dbraw/zinc/61/83/31/1078618331.db2.gz LDKXRJULDKCRLX-SFHVURJKSA-N 1 0 422.551 0.485 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000670742793 1078620439 /nfs/dbraw/zinc/62/04/39/1078620439.db2.gz OBJACCYJNNQGQC-AYHJJNSGSA-N 1 0 422.551 0.484 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000670742838 1078620961 /nfs/dbraw/zinc/62/09/61/1078620961.db2.gz RGSVWLLUOBMQHF-UHFFFAOYSA-N 1 0 422.551 0.439 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000670742865 1078615923 /nfs/dbraw/zinc/61/59/23/1078615923.db2.gz SMEJRJSJWBLFKB-GOSISDBHSA-N 1 0 422.551 0.439 20 0 HCADRO 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CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000670742899 1078616652 /nfs/dbraw/zinc/61/66/52/1078616652.db2.gz UWUDOAUPVGHXSX-KRWDZBQOSA-N 1 0 424.567 0.589 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000670742900 1078616639 /nfs/dbraw/zinc/61/66/39/1078616639.db2.gz UWUDOAUPVGHXSX-QGZVFWFLSA-N 1 0 424.567 0.589 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000670742923 1078616545 /nfs/dbraw/zinc/61/65/45/1078616545.db2.gz VTFAPDNJNMEGOR-UHFFFAOYSA-N 1 0 422.551 0.343 20 0 HCADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000670743604 1078607162 /nfs/dbraw/zinc/60/71/62/1078607162.db2.gz OXHRKADLJJUNLD-KRWDZBQOSA-N 1 0 410.540 0.341 20 0 HCADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000670743605 1078607056 /nfs/dbraw/zinc/60/70/56/1078607056.db2.gz OXHRKADLJJUNLD-QGZVFWFLSA-N 1 0 410.540 0.341 20 0 HCADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 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/nfs/dbraw/zinc/70/24/94/1078702494.db2.gz IFSKVBDQKVDRIU-WBVHZDCISA-N 1 0 402.495 0.943 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000670785889 1078701936 /nfs/dbraw/zinc/70/19/36/1078701936.db2.gz FQISQZPFPFLEKQ-IBGZPJMESA-N 1 0 424.549 0.816 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000670785890 1078701919 /nfs/dbraw/zinc/70/19/19/1078701919.db2.gz FQISQZPFPFLEKQ-LJQANCHMSA-N 1 0 424.549 0.816 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCc3cnn(-c4ccccc4)c3)CC2)C1 ZINC000670786297 1078701909 /nfs/dbraw/zinc/70/19/09/1078701909.db2.gz SSTYNOZFEBSCOL-NRFANRHFSA-N 1 0 424.549 0.769 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCc3cnn(-c4ccccc4)c3)CC2)C1 ZINC000670786298 1078701980 /nfs/dbraw/zinc/70/19/80/1078701980.db2.gz SSTYNOZFEBSCOL-OAQYLSRUSA-N 1 0 424.549 0.769 20 0 HCADRO Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000670786429 1078701420 /nfs/dbraw/zinc/70/14/20/1078701420.db2.gz ACBBRVIDEARGME-CYBMUJFWSA-N 1 0 400.483 0.932 20 0 HCADRO Cc1noc(C)c1[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000670786430 1078701437 /nfs/dbraw/zinc/70/14/37/1078701437.db2.gz ACBBRVIDEARGME-ZDUSSCGKSA-N 1 0 400.483 0.932 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CCN(CC(F)F)CC3)cn2)CC1 ZINC000670786435 1078701405 /nfs/dbraw/zinc/70/14/05/1078701405.db2.gz BPEAAOBNGKEKMK-UHFFFAOYSA-N 1 0 424.496 0.295 20 0 HCADRO CC(C)c1cc(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)on1 ZINC000670786443 1078701523 /nfs/dbraw/zinc/70/15/23/1078701523.db2.gz DWHPZJNYZAYMQT-UHFFFAOYSA-N 1 0 400.483 0.877 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCc4ccc(O)cc4C3)cn2)CC1 ZINC000670786471 1078701874 /nfs/dbraw/zinc/70/18/74/1078701874.db2.gz OVINAXYBKKXPIA-UHFFFAOYSA-N 1 0 409.490 0.740 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)cn2)CC1 ZINC000670786511 1078700843 /nfs/dbraw/zinc/70/08/43/1078700843.db2.gz CSOWJAFNZUPKTL-GOSISDBHSA-N 1 0 423.521 0.240 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)cn2)CC1 ZINC000670786512 1078700696 /nfs/dbraw/zinc/70/06/96/1078700696.db2.gz CSOWJAFNZUPKTL-SFHVURJKSA-N 1 0 423.521 0.240 20 0 HCADRO Cn1nc(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc21 ZINC000670786516 1078700811 /nfs/dbraw/zinc/70/08/11/1078700811.db2.gz GPIPIMQWYFVXHH-UHFFFAOYSA-N 1 0 421.505 0.653 20 0 HCADRO CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000670786519 1078700921 /nfs/dbraw/zinc/70/09/21/1078700921.db2.gz LRHMGHHSCSWGHM-JOCHJYFZSA-N 1 0 417.554 0.849 20 0 HCADRO CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000670786520 1078700773 /nfs/dbraw/zinc/70/07/73/1078700773.db2.gz LRHMGHHSCSWGHM-QFIPXVFZSA-N 1 0 417.554 0.849 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000670786571 1078700641 /nfs/dbraw/zinc/70/06/41/1078700641.db2.gz AXYXSSASMOZPAA-FQEVSTJZSA-N 1 0 422.533 0.753 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000670786572 1078700794 /nfs/dbraw/zinc/70/07/94/1078700794.db2.gz AXYXSSASMOZPAA-HXUWFJFHSA-N 1 0 422.533 0.753 20 0 HCADRO COC[C@@H]1CCCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000670786588 1078700866 /nfs/dbraw/zinc/70/08/66/1078700866.db2.gz DLVOILDCDHYDMB-GOSISDBHSA-N 1 0 403.527 0.725 20 0 HCADRO COC[C@H]1CCCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000670786589 1078701281 /nfs/dbraw/zinc/70/12/81/1078701281.db2.gz DLVOILDCDHYDMB-SFHVURJKSA-N 1 0 403.527 0.725 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC(C)(C)c3ccncc3)cn2)CC1 ZINC000670786598 1078701515 /nfs/dbraw/zinc/70/15/15/1078701515.db2.gz GVZDQCZMAZPAFW-UHFFFAOYSA-N 1 0 410.522 0.939 20 0 HCADRO C[C@H]1C[C@H](CCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000670786611 1078701538 /nfs/dbraw/zinc/70/15/38/1078701538.db2.gz JOCIVYDLEIAVAT-DLBZAZTESA-N 1 0 403.527 0.771 20 0 HCADRO C[C@@H]1C[C@H](CCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000670786612 1078701463 /nfs/dbraw/zinc/70/14/63/1078701463.db2.gz JOCIVYDLEIAVAT-IAGOWNOFSA-N 1 0 403.527 0.771 20 0 HCADRO C[C@H]1C[C@@H](CCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000670786613 1078701241 /nfs/dbraw/zinc/70/12/41/1078701241.db2.gz JOCIVYDLEIAVAT-IRXDYDNUSA-N 1 0 403.527 0.771 20 0 HCADRO C[C@@H]1C[C@@H](CCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000670786614 1078701354 /nfs/dbraw/zinc/70/13/54/1078701354.db2.gz JOCIVYDLEIAVAT-SJORKVTESA-N 1 0 403.527 0.771 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCOCC4(CCCC4)C3)cn2)CC1 ZINC000670786687 1078700111 /nfs/dbraw/zinc/70/01/11/1078700111.db2.gz XBPQFTDXPGPZMA-UHFFFAOYSA-N 1 0 415.538 0.869 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)cn2)CC1 ZINC000670786702 1078700633 /nfs/dbraw/zinc/70/06/33/1078700633.db2.gz CXFJRNNMNXDQPH-KRWDZBQOSA-N 1 0 411.510 0.579 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCOC[C@@H]3c3ccco3)cn2)CC1 ZINC000670786705 1078700784 /nfs/dbraw/zinc/70/07/84/1078700784.db2.gz DXGZVRQQHPFUAX-QGZVFWFLSA-N 1 0 413.478 0.643 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCOc4ccccc4C3)cn2)CC1 ZINC000670786731 1078701952 /nfs/dbraw/zinc/70/19/52/1078701952.db2.gz NPKAJDKBSDUXBG-UHFFFAOYSA-N 1 0 409.490 0.871 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](OC(F)F)C3)cn2)CC1 ZINC000670786738 1078701994 /nfs/dbraw/zinc/70/19/94/1078701994.db2.gz QNYGQEDDXHFUKX-HNNXBMFYSA-N 1 0 411.453 0.680 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H](OC(F)F)C3)cn2)CC1 ZINC000670786739 1078701915 /nfs/dbraw/zinc/70/19/15/1078701915.db2.gz QNYGQEDDXHFUKX-OAHLLOKOSA-N 1 0 411.453 0.680 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H](n4ccnc4)C3)cn2)CC1 ZINC000670786762 1078701892 /nfs/dbraw/zinc/70/18/92/1078701892.db2.gz BUHNPIHDEAKHPG-GOSISDBHSA-N 1 0 411.510 0.510 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](n4ccnc4)C3)cn2)CC1 ZINC000670786763 1078702025 /nfs/dbraw/zinc/70/20/25/1078702025.db2.gz BUHNPIHDEAKHPG-SFHVURJKSA-N 1 0 411.510 0.510 20 0 HCADRO CN(C)c1nc(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cs1 ZINC000670786795 1078703506 /nfs/dbraw/zinc/70/35/06/1078703506.db2.gz JOJLSZPVLTZYID-UHFFFAOYSA-N 1 0 417.539 0.289 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc(Cl)cn3)cn2)CC1 ZINC000670786823 1078704192 /nfs/dbraw/zinc/70/41/92/1078704192.db2.gz RVRZAAMLMIHSSS-UHFFFAOYSA-N 1 0 402.886 0.814 20 0 HCADRO Cc1csc(CCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000670786824 1078704248 /nfs/dbraw/zinc/70/42/48/1078704248.db2.gz SNRHBYCBXMGAHJ-UHFFFAOYSA-N 1 0 402.524 0.573 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@@H](c4ccco4)C3)cn2)CC1 ZINC000670786838 1078704122 /nfs/dbraw/zinc/70/41/22/1078704122.db2.gz VVDYWFBCJXVXJJ-GOSISDBHSA-N 1 0 413.478 0.643 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@H](c4ccco4)C3)cn2)CC1 ZINC000670786839 1078704342 /nfs/dbraw/zinc/70/43/42/1078704342.db2.gz VVDYWFBCJXVXJJ-SFHVURJKSA-N 1 0 413.478 0.643 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](Cc4ccncc4)C3)cn2)CC1 ZINC000670786879 1078703969 /nfs/dbraw/zinc/70/39/69/1078703969.db2.gz PHORYNJZXUPDJN-IBGZPJMESA-N 1 0 422.533 0.936 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](Cc4ccncc4)C3)cn2)CC1 ZINC000670786880 1078704147 /nfs/dbraw/zinc/70/41/47/1078704147.db2.gz PHORYNJZXUPDJN-LJQANCHMSA-N 1 0 422.533 0.936 20 0 HCADRO CN(C(=O)C(=O)NCCc1cn2ccccc2n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670787388 1078703135 /nfs/dbraw/zinc/70/31/35/1078703135.db2.gz RGKSUFVRRGPDOD-IBGZPJMESA-N 1 0 412.538 0.620 20 0 HCADRO CN(C(=O)C(=O)NCCc1cn2ccccc2n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670787389 1078702932 /nfs/dbraw/zinc/70/29/32/1078702932.db2.gz RGKSUFVRRGPDOD-LJQANCHMSA-N 1 0 412.538 0.620 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000670789721 1078705389 /nfs/dbraw/zinc/70/53/89/1078705389.db2.gz RNJXEGIZEZHMPC-UHFFFAOYSA-N 1 0 404.511 0.623 20 0 HCADRO O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670789773 1078705493 /nfs/dbraw/zinc/70/54/93/1078705493.db2.gz NXDJYOPAKFEFJZ-IBGZPJMESA-N 1 0 414.506 0.376 20 0 HCADRO O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670789774 1078705445 /nfs/dbraw/zinc/70/54/45/1078705445.db2.gz NXDJYOPAKFEFJZ-LJQANCHMSA-N 1 0 414.506 0.376 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000670789775 1078705582 /nfs/dbraw/zinc/70/55/82/1078705582.db2.gz PJDCVBNAZQQKGE-IBGZPJMESA-N 1 0 416.522 0.766 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000670789776 1078705526 /nfs/dbraw/zinc/70/55/26/1078705526.db2.gz PJDCVBNAZQQKGE-LJQANCHMSA-N 1 0 416.522 0.766 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000670789915 1078708087 /nfs/dbraw/zinc/70/80/87/1078708087.db2.gz HDLPNNZKDXYQJU-LJQANCHMSA-N 1 0 416.522 0.764 20 0 HCADRO CC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000670789960 1078708250 /nfs/dbraw/zinc/70/82/50/1078708250.db2.gz PYAKFMCIDIHLID-UHFFFAOYSA-N 1 0 416.522 0.623 20 0 HCADRO 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CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000670790305 1078706160 /nfs/dbraw/zinc/70/61/60/1078706160.db2.gz CQNXPMJSDZYMQR-SFHVURJKSA-N 1 0 401.511 0.546 20 0 HCADRO CC(=O)Nc1ccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000670790331 1078706081 /nfs/dbraw/zinc/70/60/81/1078706081.db2.gz OUCSXUPBPDEQSW-FQEVSTJZSA-N 1 0 415.538 0.888 20 0 HCADRO CC(=O)Nc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000670790332 1078705960 /nfs/dbraw/zinc/70/59/60/1078705960.db2.gz OUCSXUPBPDEQSW-HXUWFJFHSA-N 1 0 415.538 0.888 20 0 HCADRO CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000670790820 1078708214 /nfs/dbraw/zinc/70/82/14/1078708214.db2.gz UASKTIZBQRQYAG-IBGZPJMESA-N 1 0 401.511 0.500 20 0 HCADRO CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000670790821 1078708796 /nfs/dbraw/zinc/70/87/96/1078708796.db2.gz UASKTIZBQRQYAG-LJQANCHMSA-N 1 0 401.511 0.500 20 0 HCADRO 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COc1cccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1OC ZINC000670860565 1078813600 /nfs/dbraw/zinc/81/36/00/1078813600.db2.gz ZZIMRXZCEPJJDL-GOSISDBHSA-N 1 0 418.538 0.947 20 0 HCADRO COc1ccc2[nH]cc(CCNC(=O)C(=O)N(C)CCCN3CC[NH+](C)CC3)c2c1 ZINC000670869983 1078822928 /nfs/dbraw/zinc/82/29/28/1078822928.db2.gz RXUWXKBFDSOXNP-UHFFFAOYSA-N 1 0 415.538 0.931 20 0 HCADRO COc1ccc2[nH]cc(CCNC(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)c2c1 ZINC000670872714 1078823607 /nfs/dbraw/zinc/82/36/07/1078823607.db2.gz CHMYOVMQDBCTAZ-UHFFFAOYSA-N 1 0 415.538 0.979 20 0 HCADRO CCC(=O)Nc1cccc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000670874145 1078825351 /nfs/dbraw/zinc/82/53/51/1078825351.db2.gz FDIWXAJORSONOC-GOSISDBHSA-N 1 0 415.538 0.936 20 0 HCADRO CCC(=O)Nc1cccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000670874146 1078825256 /nfs/dbraw/zinc/82/52/56/1078825256.db2.gz FDIWXAJORSONOC-SFHVURJKSA-N 1 0 415.538 0.936 20 0 HCADRO CCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000670874216 1078825400 /nfs/dbraw/zinc/82/54/00/1078825400.db2.gz YUNJVLKKAIFLRA-IBGZPJMESA-N 1 0 415.538 0.890 20 0 HCADRO CCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000670874217 1078825379 /nfs/dbraw/zinc/82/53/79/1078825379.db2.gz YUNJVLKKAIFLRA-LJQANCHMSA-N 1 0 415.538 0.890 20 0 HCADRO COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000670876601 1078825049 /nfs/dbraw/zinc/82/50/49/1078825049.db2.gz LUMLDFPFXUEPIO-SFHVURJKSA-N 1 0 402.495 0.975 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC1 ZINC000670877140 1078826347 /nfs/dbraw/zinc/82/63/47/1078826347.db2.gz AKTQJQVVVGBKDK-HNNXBMFYSA-N 1 0 402.561 0.297 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@H](CC)C[NH+]2CCCC2)CC1 ZINC000670877141 1078826310 /nfs/dbraw/zinc/82/63/10/1078826310.db2.gz AKTQJQVVVGBKDK-OAHLLOKOSA-N 1 0 402.561 0.297 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000670877248 1078826085 /nfs/dbraw/zinc/82/60/85/1078826085.db2.gz ISGLYUFOUJQDLU-UHFFFAOYSA-N 1 0 423.539 0.051 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000670877275 1078826406 /nfs/dbraw/zinc/82/64/06/1078826406.db2.gz UXUMWTJXJUCMNG-KRWDZBQOSA-N 1 0 414.572 0.394 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000670877327 1078828219 /nfs/dbraw/zinc/82/82/19/1078828219.db2.gz QAZAJKMNTGSFOX-INIZCTEOSA-N 1 0 402.561 0.296 20 0 HCADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000670877328 1078828261 /nfs/dbraw/zinc/82/82/61/1078828261.db2.gz QAZAJKMNTGSFOX-MRXNPFEDSA-N 1 0 402.561 0.296 20 0 HCADRO O=C(NCCOC[C@H]1CCOC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000670877375 1078826060 /nfs/dbraw/zinc/82/60/60/1078826060.db2.gz CPZUKOPCJPMZAU-IBGZPJMESA-N 1 0 403.523 0.979 20 0 HCADRO O=C(NCCOC[C@@H]1CCOC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000670877376 1078826028 /nfs/dbraw/zinc/82/60/28/1078826028.db2.gz CPZUKOPCJPMZAU-LJQANCHMSA-N 1 0 403.523 0.979 20 0 HCADRO CN(C)C(=O)NCCN(C)C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000670877451 1078827908 /nfs/dbraw/zinc/82/79/08/1078827908.db2.gz AUTDMMNSYIINPX-UHFFFAOYSA-N 1 0 403.527 0.539 20 0 HCADRO COC1(CO)CCN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000670877546 1078827890 /nfs/dbraw/zinc/82/78/90/1078827890.db2.gz CENNYXVZAJSXLY-UHFFFAOYSA-N 1 0 403.523 0.810 20 0 HCADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000670877662 1078827763 /nfs/dbraw/zinc/82/77/63/1078827763.db2.gz HWSWWUAEMJCELX-FXAWDEMLSA-N 1 0 402.539 0.645 20 0 HCADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000670877663 1078827845 /nfs/dbraw/zinc/82/78/45/1078827845.db2.gz HWSWWUAEMJCELX-PXNSSMCTSA-N 1 0 402.539 0.645 20 0 HCADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000670877664 1078827874 /nfs/dbraw/zinc/82/78/74/1078827874.db2.gz HWSWWUAEMJCELX-XLIONFOSSA-N 1 0 402.539 0.645 20 0 HCADRO COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000670877837 1078826392 /nfs/dbraw/zinc/82/63/92/1078826392.db2.gz HONFYLUKIHQYKP-KRWDZBQOSA-N 1 0 404.511 0.777 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000670877884 1078827536 /nfs/dbraw/zinc/82/75/36/1078827536.db2.gz ROALAUHNIQVKOH-HNNXBMFYSA-N 1 0 408.465 0.699 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000670877885 1078827433 /nfs/dbraw/zinc/82/74/33/1078827433.db2.gz ROALAUHNIQVKOH-OAHLLOKOSA-N 1 0 408.465 0.699 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000670877895 1078827492 /nfs/dbraw/zinc/82/74/92/1078827492.db2.gz VIRKSNRTBYXSJJ-GOSISDBHSA-N 1 0 401.555 0.771 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000670877896 1078827447 /nfs/dbraw/zinc/82/74/47/1078827447.db2.gz VIRKSNRTBYXSJJ-SFHVURJKSA-N 1 0 401.555 0.771 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000670877918 1078827480 /nfs/dbraw/zinc/82/74/80/1078827480.db2.gz ZLOOZCQOGQVFLF-QGZVFWFLSA-N 1 0 423.508 0.802 20 0 HCADRO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000670878003 1078827163 /nfs/dbraw/zinc/82/71/63/1078827163.db2.gz DBZPOAUEMVOOJE-GOSISDBHSA-N 1 0 404.511 0.777 20 0 HCADRO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000670878004 1078827512 /nfs/dbraw/zinc/82/75/12/1078827512.db2.gz DBZPOAUEMVOOJE-SFHVURJKSA-N 1 0 404.511 0.777 20 0 HCADRO COc1ccc(CN(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)c(OC)c1 ZINC000670878011 1078827792 /nfs/dbraw/zinc/82/77/92/1078827792.db2.gz FDZKSFHXIHCVEF-UHFFFAOYSA-N 1 0 406.527 0.804 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCO[C@@H](CCc3ccccc3)C2)CC1 ZINC000670878021 1078826399 /nfs/dbraw/zinc/82/63/99/1078826399.db2.gz GULVWZXZQQCJQA-NRFANRHFSA-N 1 0 416.566 0.989 20 0 HCADRO Cc1ccc(CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)c(N2CCCC2)n1 ZINC000670878062 1078827094 /nfs/dbraw/zinc/82/70/94/1078827094.db2.gz SQERZXQJYRPTCQ-UHFFFAOYSA-N 1 0 416.570 0.749 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000670878082 1078827016 /nfs/dbraw/zinc/82/70/16/1078827016.db2.gz YKNHRIQZRUUNOG-UHFFFAOYSA-N 1 0 401.511 0.004 20 0 HCADRO C[C@H](NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)c1ccc(-n2cncn2)cc1 ZINC000670878117 1078827141 /nfs/dbraw/zinc/82/71/41/1078827141.db2.gz KGUUWZDTJGPTDJ-INIZCTEOSA-N 1 0 413.526 0.587 20 0 HCADRO C[C@@H](NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)c1ccc(-n2cncn2)cc1 ZINC000670878118 1078827109 /nfs/dbraw/zinc/82/71/09/1078827109.db2.gz KGUUWZDTJGPTDJ-MRXNPFEDSA-N 1 0 413.526 0.587 20 0 HCADRO COc1ccc(CN(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)cc1OC ZINC000670878123 1078827039 /nfs/dbraw/zinc/82/70/39/1078827039.db2.gz MEVXTFJPEOPDGZ-UHFFFAOYSA-N 1 0 406.527 0.804 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000670878149 1078827071 /nfs/dbraw/zinc/82/70/71/1078827071.db2.gz USLBOVPPIGQMDU-HSZRJFAPSA-N 1 0 414.550 0.829 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)CC1 ZINC000670878150 1078827522 /nfs/dbraw/zinc/82/75/22/1078827522.db2.gz USLBOVPPIGQMDU-QHCPKHFHSA-N 1 0 414.550 0.829 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000670878191 1078826694 /nfs/dbraw/zinc/82/66/94/1078826694.db2.gz HCTKYOKNACUKRI-UHFFFAOYSA-N 1 0 401.555 0.473 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NC2CCN(c3cccs3)CC2)CC1 ZINC000670878192 1078826670 /nfs/dbraw/zinc/82/66/70/1078826670.db2.gz HGYFZBSXPMMIOL-UHFFFAOYSA-N 1 0 407.584 0.975 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C2 ZINC000670878237 1078826655 /nfs/dbraw/zinc/82/66/55/1078826655.db2.gz RQIDKNAZIKWHSJ-KRWDZBQOSA-N 1 0 404.511 0.257 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C2 ZINC000670878238 1078826752 /nfs/dbraw/zinc/82/67/52/1078826752.db2.gz RQIDKNAZIKWHSJ-QGZVFWFLSA-N 1 0 404.511 0.257 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000670878264 1078826778 /nfs/dbraw/zinc/82/67/78/1078826778.db2.gz CTWAHXMTJADVJZ-SFHVURJKSA-N 1 0 407.559 0.036 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000670878266 1078827121 /nfs/dbraw/zinc/82/71/21/1078827121.db2.gz CWOYFHDTCCOKBU-LJQANCHMSA-N 1 0 406.502 0.948 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000670878337 1078826680 /nfs/dbraw/zinc/82/66/80/1078826680.db2.gz ZAUARRFWZXXIMB-UHFFFAOYSA-N 1 0 407.584 0.535 20 0 HCADRO COC1(CO)CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000670878447 1078826747 /nfs/dbraw/zinc/82/67/47/1078826747.db2.gz FQYQAFHIPPHFJU-UHFFFAOYSA-N 1 0 407.486 0.906 20 0 HCADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CN(C)CCO1 ZINC000670878596 1078826729 /nfs/dbraw/zinc/82/67/29/1078826729.db2.gz OYDUSQBWNODAQP-DNVCBOLYSA-N 1 0 406.502 0.742 20 0 HCADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CN(C)CCO1 ZINC000670878598 1078826763 /nfs/dbraw/zinc/82/67/63/1078826763.db2.gz OYDUSQBWNODAQP-KXBFYZLASA-N 1 0 406.502 0.742 20 0 HCADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000670879125 1078828613 /nfs/dbraw/zinc/82/86/13/1078828613.db2.gz FFHNRSMCHVFETM-MOPGFXCFSA-N 1 0 402.495 0.569 20 0 HCADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000670879126 1078828591 /nfs/dbraw/zinc/82/85/91/1078828591.db2.gz FFHNRSMCHVFETM-OALUTQOASA-N 1 0 402.495 0.569 20 0 HCADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000670879127 1078828659 /nfs/dbraw/zinc/82/86/59/1078828659.db2.gz FFHNRSMCHVFETM-RBUKOAKNSA-N 1 0 402.495 0.569 20 0 HCADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000670879128 1078828632 /nfs/dbraw/zinc/82/86/32/1078828632.db2.gz FFHNRSMCHVFETM-RTBURBONSA-N 1 0 402.495 0.569 20 0 HCADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000670879175 1078828930 /nfs/dbraw/zinc/82/89/30/1078828930.db2.gz VCJPDUWHSUMENX-FQEVSTJZSA-N 1 0 415.538 0.485 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000670879262 1078831785 /nfs/dbraw/zinc/83/17/85/1078831785.db2.gz XCBKZXJGKMXOOL-UHFFFAOYSA-N 1 0 423.521 0.609 20 0 HCADRO O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000670879285 1078828273 /nfs/dbraw/zinc/82/82/73/1078828273.db2.gz GTSWYNHQWVXHBD-IBGZPJMESA-N 1 0 408.506 0.952 20 0 HCADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000670879286 1078828324 /nfs/dbraw/zinc/82/83/24/1078828324.db2.gz GTSWYNHQWVXHBD-LJQANCHMSA-N 1 0 408.506 0.952 20 0 HCADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C(N)=O)nc2)CC1 ZINC000670879523 1078831385 /nfs/dbraw/zinc/83/13/85/1078831385.db2.gz RGNITMXQDSPOEY-UHFFFAOYSA-N 1 0 409.490 0.886 20 0 HCADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000670879663 1078831464 /nfs/dbraw/zinc/83/14/64/1078831464.db2.gz KHLNAANLLLDXGP-UHFFFAOYSA-N 1 0 424.505 0.412 20 0 HCADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000670879794 1078831447 /nfs/dbraw/zinc/83/14/47/1078831447.db2.gz XARPPERSQHLIRW-FXAWDEMLSA-N 1 0 402.539 0.911 20 0 HCADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000670879795 1078831376 /nfs/dbraw/zinc/83/13/76/1078831376.db2.gz XARPPERSQHLIRW-PXNSSMCTSA-N 1 0 402.539 0.911 20 0 HCADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000670879796 1078831340 /nfs/dbraw/zinc/83/13/40/1078831340.db2.gz XARPPERSQHLIRW-XLIONFOSSA-N 1 0 402.539 0.911 20 0 HCADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000670879797 1078831409 /nfs/dbraw/zinc/83/14/09/1078831409.db2.gz XARPPERSQHLIRW-YLJYHZDGSA-N 1 0 402.539 0.911 20 0 HCADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000670879828 1078830310 /nfs/dbraw/zinc/83/03/10/1078830310.db2.gz FKEUSPPLCIIRJV-UHFFFAOYSA-N 1 0 422.551 0.083 20 0 HCADRO COc1cccc(CCNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000670880006 1078830652 /nfs/dbraw/zinc/83/06/52/1078830652.db2.gz GJXBMTOWAOCRIC-IBGZPJMESA-N 1 0 402.539 0.981 20 0 HCADRO COc1cccc(CCNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000670880007 1078830719 /nfs/dbraw/zinc/83/07/19/1078830719.db2.gz GJXBMTOWAOCRIC-LJQANCHMSA-N 1 0 402.539 0.981 20 0 HCADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CCNC(=O)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000670881733 1078832091 /nfs/dbraw/zinc/83/20/91/1078832091.db2.gz PSTOUBGNDMTTHX-BRWVUGGUSA-N 1 0 416.522 0.649 20 0 HCADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CCNC(=O)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000670881734 1078832126 /nfs/dbraw/zinc/83/21/26/1078832126.db2.gz PSTOUBGNDMTTHX-GVDBMIGSSA-N 1 0 416.522 0.649 20 0 HCADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CCNC(=O)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000670881735 1078832184 /nfs/dbraw/zinc/83/21/84/1078832184.db2.gz PSTOUBGNDMTTHX-YESZJQIVSA-N 1 0 416.522 0.649 20 0 HCADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CCNC(=O)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000670881736 1078832210 /nfs/dbraw/zinc/83/22/10/1078832210.db2.gz PSTOUBGNDMTTHX-ZACQAIPSSA-N 1 0 416.522 0.649 20 0 HCADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NCc2cc(C(N)=O)no2)C1 ZINC000670882771 1078832043 /nfs/dbraw/zinc/83/20/43/1078832043.db2.gz IHDCNYRLJVMPAL-AWEZNQCLSA-N 1 0 413.478 0.938 20 0 HCADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NCc2cc(C(N)=O)no2)C1 ZINC000670882772 1078832162 /nfs/dbraw/zinc/83/21/62/1078832162.db2.gz IHDCNYRLJVMPAL-CQSZACIVSA-N 1 0 413.478 0.938 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000670883313 1078834243 /nfs/dbraw/zinc/83/42/43/1078834243.db2.gz JNJZJVGPBZOAOW-UHFFFAOYSA-N 1 0 418.538 0.897 20 0 HCADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000670883656 1078834260 /nfs/dbraw/zinc/83/42/60/1078834260.db2.gz YAPPANSNOMFAPS-UHFFFAOYSA-N 1 0 410.540 0.151 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000670883770 1078832835 /nfs/dbraw/zinc/83/28/35/1078832835.db2.gz UYCNGQXQSXEMCS-MOPGFXCFSA-N 1 0 405.495 0.650 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000670883771 1078832944 /nfs/dbraw/zinc/83/29/44/1078832944.db2.gz UYCNGQXQSXEMCS-OALUTQOASA-N 1 0 405.495 0.650 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000670883772 1078832872 /nfs/dbraw/zinc/83/28/72/1078832872.db2.gz UYCNGQXQSXEMCS-RBUKOAKNSA-N 1 0 405.495 0.650 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000670883773 1078832800 /nfs/dbraw/zinc/83/28/00/1078832800.db2.gz UYCNGQXQSXEMCS-RTBURBONSA-N 1 0 405.495 0.650 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000670883784 1078832807 /nfs/dbraw/zinc/83/28/07/1078832807.db2.gz WFJWWSQJFCDUQT-FQEVSTJZSA-N 1 0 418.538 0.566 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000670883785 1078832862 /nfs/dbraw/zinc/83/28/62/1078832862.db2.gz WFJWWSQJFCDUQT-HXUWFJFHSA-N 1 0 418.538 0.566 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000670883820 1078833270 /nfs/dbraw/zinc/83/32/70/1078833270.db2.gz DVLRDJINFQZKFY-MSOLQXFVSA-N 1 0 402.495 0.513 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC000670883821 1078833232 /nfs/dbraw/zinc/83/32/32/1078833232.db2.gz DVLRDJINFQZKFY-QZTJIDSGSA-N 1 0 402.495 0.513 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000670883822 1078833183 /nfs/dbraw/zinc/83/31/83/1078833183.db2.gz DVLRDJINFQZKFY-ROUUACIJSA-N 1 0 402.495 0.513 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000670883823 1078833242 /nfs/dbraw/zinc/83/32/42/1078833242.db2.gz DVLRDJINFQZKFY-ZWKOTPCHSA-N 1 0 402.495 0.513 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000670884381 1078835322 /nfs/dbraw/zinc/83/53/22/1078835322.db2.gz HFXIPNRSCKHKEZ-KRWDZBQOSA-N 1 0 404.511 0.760 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000670884382 1078835381 /nfs/dbraw/zinc/83/53/81/1078835381.db2.gz HFXIPNRSCKHKEZ-QGZVFWFLSA-N 1 0 404.511 0.760 20 0 HCADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000670884480 1078834994 /nfs/dbraw/zinc/83/49/94/1078834994.db2.gz FGQTXTAILHMWPH-KRWDZBQOSA-N 1 0 402.495 0.370 20 0 HCADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000670884481 1078834919 /nfs/dbraw/zinc/83/49/19/1078834919.db2.gz FGQTXTAILHMWPH-QGZVFWFLSA-N 1 0 402.495 0.370 20 0 HCADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000670884534 1078834910 /nfs/dbraw/zinc/83/49/10/1078834910.db2.gz TXFJBWHDGQZIMW-DLBZAZTESA-N 1 0 402.495 0.513 20 0 HCADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000670884535 1078835014 /nfs/dbraw/zinc/83/50/14/1078835014.db2.gz TXFJBWHDGQZIMW-IAGOWNOFSA-N 1 0 402.495 0.513 20 0 HCADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000670884536 1078835057 /nfs/dbraw/zinc/83/50/57/1078835057.db2.gz TXFJBWHDGQZIMW-IRXDYDNUSA-N 1 0 402.495 0.513 20 0 HCADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000670884537 1078834948 /nfs/dbraw/zinc/83/49/48/1078834948.db2.gz TXFJBWHDGQZIMW-SJORKVTESA-N 1 0 402.495 0.513 20 0 HCADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000670884595 1078833610 /nfs/dbraw/zinc/83/36/10/1078833610.db2.gz LJNDNPOSYIFLIR-UHFFFAOYSA-N 1 0 404.511 0.713 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000670884608 1078833601 /nfs/dbraw/zinc/83/36/01/1078833601.db2.gz ONGFLVOOXPZUTM-KRWDZBQOSA-N 1 0 404.511 0.759 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000670884609 1078833574 /nfs/dbraw/zinc/83/35/74/1078833574.db2.gz ONGFLVOOXPZUTM-QGZVFWFLSA-N 1 0 404.511 0.759 20 0 HCADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000670884627 1078833842 /nfs/dbraw/zinc/83/38/42/1078833842.db2.gz URTZVSHFNJXXBX-GOSISDBHSA-N 1 0 416.522 0.857 20 0 HCADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000670884628 1078833920 /nfs/dbraw/zinc/83/39/20/1078833920.db2.gz URTZVSHFNJXXBX-SFHVURJKSA-N 1 0 416.522 0.857 20 0 HCADRO C[C@H](NC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1)C1CC[NH+](C)CC1 ZINC000670884679 1078833937 /nfs/dbraw/zinc/83/39/37/1078833937.db2.gz GSCLQKKJOQWTQT-HNNXBMFYSA-N 1 0 404.511 0.616 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1)C1CC[NH+](C)CC1 ZINC000670884680 1078833904 /nfs/dbraw/zinc/83/39/04/1078833904.db2.gz GSCLQKKJOQWTQT-OAHLLOKOSA-N 1 0 404.511 0.616 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000670884774 1078833259 /nfs/dbraw/zinc/83/32/59/1078833259.db2.gz ITPAHIDKJPYMQP-FQEVSTJZSA-N 1 0 418.538 0.566 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000670884775 1078833616 /nfs/dbraw/zinc/83/36/16/1078833616.db2.gz ITPAHIDKJPYMQP-HXUWFJFHSA-N 1 0 418.538 0.566 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000670884783 1078833541 /nfs/dbraw/zinc/83/35/41/1078833541.db2.gz MLFFHHOWCPITKV-MOPGFXCFSA-N 1 0 405.495 0.650 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000670884784 1078833568 /nfs/dbraw/zinc/83/35/68/1078833568.db2.gz MLFFHHOWCPITKV-OALUTQOASA-N 1 0 405.495 0.650 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000670884785 1078833605 /nfs/dbraw/zinc/83/36/05/1078833605.db2.gz MLFFHHOWCPITKV-RBUKOAKNSA-N 1 0 405.495 0.650 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000670884786 1078833624 /nfs/dbraw/zinc/83/36/24/1078833624.db2.gz MLFFHHOWCPITKV-RTBURBONSA-N 1 0 405.495 0.650 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)c1 ZINC000670884986 1078836114 /nfs/dbraw/zinc/83/61/14/1078836114.db2.gz BLZJSHXREJFQFK-UHFFFAOYSA-N 1 0 416.522 0.857 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000670887624 1078836828 /nfs/dbraw/zinc/83/68/28/1078836828.db2.gz QSFITSITPGUSEZ-IBGZPJMESA-N 1 0 411.506 0.639 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000670887625 1078836746 /nfs/dbraw/zinc/83/67/46/1078836746.db2.gz QSFITSITPGUSEZ-LJQANCHMSA-N 1 0 411.506 0.639 20 0 HCADRO CCNC(=O)COc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000670888423 1078837788 /nfs/dbraw/zinc/83/77/88/1078837788.db2.gz PAKXLFKRMMTSHM-HNNXBMFYSA-N 1 0 406.483 0.037 20 0 HCADRO CCNC(=O)COc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000670888424 1078837739 /nfs/dbraw/zinc/83/77/39/1078837739.db2.gz PAKXLFKRMMTSHM-OAHLLOKOSA-N 1 0 406.483 0.037 20 0 HCADRO CCNC(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000670889573 1078838490 /nfs/dbraw/zinc/83/84/90/1078838490.db2.gz JVIPRCKBNKGGDO-GOSISDBHSA-N 1 0 415.538 0.337 20 0 HCADRO CCNC(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000670889574 1078838509 /nfs/dbraw/zinc/83/85/09/1078838509.db2.gz JVIPRCKBNKGGDO-SFHVURJKSA-N 1 0 415.538 0.337 20 0 HCADRO CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000670889593 1078838452 /nfs/dbraw/zinc/83/84/52/1078838452.db2.gz SOTRXBOUCOMTIB-IBGZPJMESA-N 1 0 415.538 0.291 20 0 HCADRO CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000670889594 1078838432 /nfs/dbraw/zinc/83/84/32/1078838432.db2.gz SOTRXBOUCOMTIB-LJQANCHMSA-N 1 0 415.538 0.291 20 0 HCADRO CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)cc1 ZINC000670889864 1078840796 /nfs/dbraw/zinc/84/07/96/1078840796.db2.gz PBXAKPOKKIMJDI-UHFFFAOYSA-N 1 0 410.478 0.500 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000670890704 1078839619 /nfs/dbraw/zinc/83/96/19/1078839619.db2.gz CCFIMYNGIRAQPE-GOSISDBHSA-N 1 0 414.554 0.583 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000670890705 1078840023 /nfs/dbraw/zinc/84/00/23/1078840023.db2.gz CCFIMYNGIRAQPE-SFHVURJKSA-N 1 0 414.554 0.583 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)CC2)C1 ZINC000670890760 1078839636 /nfs/dbraw/zinc/83/96/36/1078839636.db2.gz UBSCDGWACGNUIN-IBGZPJMESA-N 1 0 414.554 0.536 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)CC2)C1 ZINC000670890761 1078839574 /nfs/dbraw/zinc/83/95/74/1078839574.db2.gz UBSCDGWACGNUIN-LJQANCHMSA-N 1 0 414.554 0.536 20 0 HCADRO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000670891257 1078839949 /nfs/dbraw/zinc/83/99/49/1078839949.db2.gz QRSZMFOXOLNMJS-UHFFFAOYSA-N 1 0 415.538 0.869 20 0 HCADRO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670891331 1078841375 /nfs/dbraw/zinc/84/13/75/1078841375.db2.gz HYHLYTVTJBJGQH-UHFFFAOYSA-N 1 0 410.478 0.278 20 0 HCADRO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670891346 1078841371 /nfs/dbraw/zinc/84/13/71/1078841371.db2.gz NZHPLRIPAQSPOD-GOSISDBHSA-N 1 0 401.511 0.621 20 0 HCADRO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670891347 1078841452 /nfs/dbraw/zinc/84/14/52/1078841452.db2.gz NZHPLRIPAQSPOD-SFHVURJKSA-N 1 0 401.511 0.621 20 0 HCADRO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000670891454 1078840732 /nfs/dbraw/zinc/84/07/32/1078840732.db2.gz RDYLXGAHUISNEG-UHFFFAOYSA-N 1 0 423.517 0.879 20 0 HCADRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)cn1 ZINC000670891584 1078840954 /nfs/dbraw/zinc/84/09/54/1078840954.db2.gz FZVKMAVGPKQGPG-UHFFFAOYSA-N 1 0 404.559 0.640 20 0 HCADRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000670891594 1078841016 /nfs/dbraw/zinc/84/10/16/1078841016.db2.gz HUPNQTQKLFHXOU-GOSISDBHSA-N 1 0 416.570 0.829 20 0 HCADRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000670891595 1078841068 /nfs/dbraw/zinc/84/10/68/1078841068.db2.gz HUPNQTQKLFHXOU-SFHVURJKSA-N 1 0 416.570 0.829 20 0 HCADRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000670891639 1078840696 /nfs/dbraw/zinc/84/06/96/1078840696.db2.gz SLQVPZSUARFXLR-IBGZPJMESA-N 1 0 416.570 0.782 20 0 HCADRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000670891640 1078840774 /nfs/dbraw/zinc/84/07/74/1078840774.db2.gz SLQVPZSUARFXLR-LJQANCHMSA-N 1 0 416.570 0.782 20 0 HCADRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)cn1 ZINC000670891646 1078840790 /nfs/dbraw/zinc/84/07/90/1078840790.db2.gz VISTXPITGDOGFH-GOSISDBHSA-N 1 0 403.527 0.867 20 0 HCADRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cn1 ZINC000670891647 1078840754 /nfs/dbraw/zinc/84/07/54/1078840754.db2.gz VISTXPITGDOGFH-SFHVURJKSA-N 1 0 403.527 0.867 20 0 HCADRO CC(C)c1cc(CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)on1 ZINC000670892095 1078843672 /nfs/dbraw/zinc/84/36/72/1078843672.db2.gz GJRMSJHTSSABLB-UHFFFAOYSA-N 1 0 400.483 0.877 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC3CCN(CC(F)F)CC3)ccn2)CC1 ZINC000670892098 1078843688 /nfs/dbraw/zinc/84/36/88/1078843688.db2.gz GSRVQLNILWSVAM-UHFFFAOYSA-N 1 0 424.496 0.295 20 0 HCADRO Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000670892116 1078843726 /nfs/dbraw/zinc/84/37/26/1078843726.db2.gz NULGZACFEUJMDL-CYBMUJFWSA-N 1 0 400.483 0.932 20 0 HCADRO Cc1noc(C)c1[C@H](C)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000670892117 1078843629 /nfs/dbraw/zinc/84/36/29/1078843629.db2.gz NULGZACFEUJMDL-ZDUSSCGKSA-N 1 0 400.483 0.932 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCCOC3CCCC3)ccn2)CC1 ZINC000670892127 1078843694 /nfs/dbraw/zinc/84/36/94/1078843694.db2.gz PUSTZXYDLITRND-UHFFFAOYSA-N 1 0 403.527 0.915 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCOc4ccccc4C3)ccn2)CC1 ZINC000670892173 1078843634 /nfs/dbraw/zinc/84/36/34/1078843634.db2.gz AYWQZNCPDCGLBI-UHFFFAOYSA-N 1 0 409.490 0.871 20 0 HCADRO Cc1nc(CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)sc1C ZINC000670892192 1078842907 /nfs/dbraw/zinc/84/29/07/1078842907.db2.gz GBEIHDYFVKMXJA-UHFFFAOYSA-N 1 0 402.524 0.839 20 0 HCADRO CN(C)c1nc(CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cs1 ZINC000670892215 1078842915 /nfs/dbraw/zinc/84/29/15/1078842915.db2.gz RHTQXQDQJCAOFG-UHFFFAOYSA-N 1 0 417.539 0.289 20 0 HCADRO Cn1nc(CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc21 ZINC000670892223 1078843296 /nfs/dbraw/zinc/84/32/96/1078843296.db2.gz RSAMWDCCASKHGT-UHFFFAOYSA-N 1 0 421.505 0.653 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)ccn2)CC1 ZINC000670892266 1078843288 /nfs/dbraw/zinc/84/32/88/1078843288.db2.gz ZZZZNBJJOWGJTL-GOSISDBHSA-N 1 0 423.521 0.240 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)ccn2)CC1 ZINC000670892267 1078843208 /nfs/dbraw/zinc/84/32/08/1078843208.db2.gz ZZZZNBJJOWGJTL-SFHVURJKSA-N 1 0 423.521 0.240 20 0 HCADRO COC[C@@H]1CCCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000670892268 1078843323 /nfs/dbraw/zinc/84/33/23/1078843323.db2.gz ADHMHSZFVOVLFX-GOSISDBHSA-N 1 0 403.527 0.725 20 0 HCADRO COC[C@H]1CCCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000670892269 1078843261 /nfs/dbraw/zinc/84/32/61/1078843261.db2.gz ADHMHSZFVOVLFX-SFHVURJKSA-N 1 0 403.527 0.725 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)ccn2)CC1 ZINC000670892274 1078843180 /nfs/dbraw/zinc/84/31/80/1078843180.db2.gz DYMKWZICRDNNBG-KRWDZBQOSA-N 1 0 411.510 0.579 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)ccn2)CC1 ZINC000670892275 1078843304 /nfs/dbraw/zinc/84/33/04/1078843304.db2.gz DYMKWZICRDNNBG-QGZVFWFLSA-N 1 0 411.510 0.579 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCOC[C@H]3c3ccco3)ccn2)CC1 ZINC000670892278 1078843275 /nfs/dbraw/zinc/84/32/75/1078843275.db2.gz FRLJBFGNGRQOER-KRWDZBQOSA-N 1 0 413.478 0.643 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCOC[C@@H]3c3ccco3)ccn2)CC1 ZINC000670892279 1078843223 /nfs/dbraw/zinc/84/32/23/1078843223.db2.gz FRLJBFGNGRQOER-QGZVFWFLSA-N 1 0 413.478 0.643 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000670892298 1078843342 /nfs/dbraw/zinc/84/33/42/1078843342.db2.gz JRNSTGJQEKYHQJ-FQEVSTJZSA-N 1 0 422.533 0.753 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000670892299 1078843241 /nfs/dbraw/zinc/84/32/41/1078843241.db2.gz JRNSTGJQEKYHQJ-HXUWFJFHSA-N 1 0 422.533 0.753 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCOCC4(CCCC4)C3)ccn2)CC1 ZINC000670892304 1078843194 /nfs/dbraw/zinc/84/31/94/1078843194.db2.gz LJYMRKDWZCAELK-UHFFFAOYSA-N 1 0 415.538 0.869 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCC(C)(C)c3ccncc3)ccn2)CC1 ZINC000670892327 1078843337 /nfs/dbraw/zinc/84/33/37/1078843337.db2.gz PMVKAHQUUYFMJV-UHFFFAOYSA-N 1 0 410.522 0.939 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCc4ncsc4C3)ccn2)CC1 ZINC000670892342 1078842480 /nfs/dbraw/zinc/84/24/80/1078842480.db2.gz UXNMNBITXUAMIR-UHFFFAOYSA-N 1 0 400.508 0.491 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCN3Cc4ccccc4C3)ccn2)CC1 ZINC000670892348 1078842497 /nfs/dbraw/zinc/84/24/97/1078842497.db2.gz WMZXHRITBUBAOF-UHFFFAOYSA-N 1 0 422.533 0.582 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCc3ccc(Cl)cn3)ccn2)CC1 ZINC000670892359 1078842408 /nfs/dbraw/zinc/84/24/08/1078842408.db2.gz BYFIZMNBDCVMDN-UHFFFAOYSA-N 1 0 402.886 0.814 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCO[C@@H](c4ccco4)C3)ccn2)CC1 ZINC000670892364 1078842512 /nfs/dbraw/zinc/84/25/12/1078842512.db2.gz FGJPEAGNQKJUBS-GOSISDBHSA-N 1 0 413.478 0.643 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCO[C@H](c4ccco4)C3)ccn2)CC1 ZINC000670892365 1078842922 /nfs/dbraw/zinc/84/29/22/1078842922.db2.gz FGJPEAGNQKJUBS-SFHVURJKSA-N 1 0 413.478 0.643 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@H](OC(F)F)C3)ccn2)CC1 ZINC000670892418 1078842848 /nfs/dbraw/zinc/84/28/48/1078842848.db2.gz RZRRYZNOXADZOC-HNNXBMFYSA-N 1 0 411.453 0.680 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@@H](OC(F)F)C3)ccn2)CC1 ZINC000670892419 1078842927 /nfs/dbraw/zinc/84/29/27/1078842927.db2.gz RZRRYZNOXADZOC-OAHLLOKOSA-N 1 0 411.453 0.680 20 0 HCADRO Cc1csc(CCNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000670892426 1078842937 /nfs/dbraw/zinc/84/29/37/1078842937.db2.gz UNYHISNMSHFXRJ-UHFFFAOYSA-N 1 0 402.524 0.573 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@@H](n4ccnc4)C3)ccn2)CC1 ZINC000670892439 1078842856 /nfs/dbraw/zinc/84/28/56/1078842856.db2.gz ZVVLMSANBIHSBK-GOSISDBHSA-N 1 0 411.510 0.510 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@H](n4ccnc4)C3)ccn2)CC1 ZINC000670892440 1078842763 /nfs/dbraw/zinc/84/27/63/1078842763.db2.gz ZVVLMSANBIHSBK-SFHVURJKSA-N 1 0 411.510 0.510 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn2)C[C@H](C)O1 ZINC000670892452 1078842886 /nfs/dbraw/zinc/84/28/86/1078842886.db2.gz BNGFFPQYMLHLJT-FCEWJHQRSA-N 1 0 415.538 0.912 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cn2)C[C@@H](C)O1 ZINC000670892453 1078842774 /nfs/dbraw/zinc/84/27/74/1078842774.db2.gz BNGFFPQYMLHLJT-GPMSIDNRSA-N 1 0 415.538 0.912 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cn2)C[C@H](C)O1 ZINC000670892454 1078842792 /nfs/dbraw/zinc/84/27/92/1078842792.db2.gz BNGFFPQYMLHLJT-JTDSTZFVSA-N 1 0 415.538 0.912 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn2)C[C@@H](C)O1 ZINC000670892455 1078842881 /nfs/dbraw/zinc/84/28/81/1078842881.db2.gz BNGFFPQYMLHLJT-MDZRGWNJSA-N 1 0 415.538 0.912 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC[C@@H](Cc4ccncc4)C3)ccn2)CC1 ZINC000670892524 1078842458 /nfs/dbraw/zinc/84/24/58/1078842458.db2.gz NDKKMLDETAJYTM-FQEVSTJZSA-N 1 0 422.533 0.936 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC[C@H](Cc4ccncc4)C3)ccn2)CC1 ZINC000670892525 1078842383 /nfs/dbraw/zinc/84/23/83/1078842383.db2.gz NDKKMLDETAJYTM-HXUWFJFHSA-N 1 0 422.533 0.936 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000670893479 1078842193 /nfs/dbraw/zinc/84/21/93/1078842193.db2.gz BZEFMWHQCSPRHO-AEFFLSMTSA-N 1 0 403.527 0.914 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000670893480 1078842184 /nfs/dbraw/zinc/84/21/84/1078842184.db2.gz BZEFMWHQCSPRHO-FUHWJXTLSA-N 1 0 403.527 0.914 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000670893481 1078842064 /nfs/dbraw/zinc/84/20/64/1078842064.db2.gz BZEFMWHQCSPRHO-SJLPKXTDSA-N 1 0 403.527 0.914 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000670893482 1078842130 /nfs/dbraw/zinc/84/21/30/1078842130.db2.gz BZEFMWHQCSPRHO-WMZOPIPTSA-N 1 0 403.527 0.914 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cn2)CCO1 ZINC000670893561 1078841754 /nfs/dbraw/zinc/84/17/54/1078841754.db2.gz QWRUFYRTVHRGBU-CRAIPNDOSA-N 1 0 401.511 0.523 20 0 HCADRO C[C@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cn2)CCO1 ZINC000670893562 1078842082 /nfs/dbraw/zinc/84/20/82/1078842082.db2.gz QWRUFYRTVHRGBU-MAUKXSAKSA-N 1 0 401.511 0.523 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn2)CCO1 ZINC000670893563 1078842178 /nfs/dbraw/zinc/84/21/78/1078842178.db2.gz QWRUFYRTVHRGBU-QAPCUYQASA-N 1 0 401.511 0.523 20 0 HCADRO C[C@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn2)CCO1 ZINC000670893564 1078842150 /nfs/dbraw/zinc/84/21/50/1078842150.db2.gz QWRUFYRTVHRGBU-YJBOKZPZSA-N 1 0 401.511 0.523 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CCO1 ZINC000670893738 1078841810 /nfs/dbraw/zinc/84/18/10/1078841810.db2.gz XFGUIDOQVPGIDQ-BPQIPLTHSA-N 1 0 401.511 0.666 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CCO1 ZINC000670893739 1078841743 /nfs/dbraw/zinc/84/17/43/1078841743.db2.gz XFGUIDOQVPGIDQ-KBAYOESNSA-N 1 0 401.511 0.666 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CCO1 ZINC000670893740 1078841694 /nfs/dbraw/zinc/84/16/94/1078841694.db2.gz XFGUIDOQVPGIDQ-NJAFHUGGSA-N 1 0 401.511 0.666 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CCO1 ZINC000670893741 1078841782 /nfs/dbraw/zinc/84/17/82/1078841782.db2.gz XFGUIDOQVPGIDQ-NXHRZFHOSA-N 1 0 401.511 0.666 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)C1 ZINC000670893798 1078841733 /nfs/dbraw/zinc/84/17/33/1078841733.db2.gz JSNYAWNFDPYEMN-AEFFLSMTSA-N 1 0 403.527 0.912 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)C1 ZINC000670893799 1078841802 /nfs/dbraw/zinc/84/18/02/1078841802.db2.gz JSNYAWNFDPYEMN-FUHWJXTLSA-N 1 0 403.527 0.912 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)C1 ZINC000670893800 1078841673 /nfs/dbraw/zinc/84/16/73/1078841673.db2.gz JSNYAWNFDPYEMN-SJLPKXTDSA-N 1 0 403.527 0.912 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)C1 ZINC000670893801 1078841796 /nfs/dbraw/zinc/84/17/96/1078841796.db2.gz JSNYAWNFDPYEMN-WMZOPIPTSA-N 1 0 403.527 0.912 20 0 HCADRO C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)cn2)CCO1 ZINC000670893864 1078844039 /nfs/dbraw/zinc/84/40/39/1078844039.db2.gz UEHPSZUKRFXGJP-KRWDZBQOSA-N 1 0 424.505 0.667 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)cn2)CCO1 ZINC000670893865 1078844093 /nfs/dbraw/zinc/84/40/93/1078844093.db2.gz UEHPSZUKRFXGJP-QGZVFWFLSA-N 1 0 424.505 0.667 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)cn2)CCO1 ZINC000670893911 1078844073 /nfs/dbraw/zinc/84/40/73/1078844073.db2.gz BNEZBODKAJHRKQ-BPQIPLTHSA-N 1 0 403.527 0.912 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)cn2)CCO1 ZINC000670893912 1078844110 /nfs/dbraw/zinc/84/41/10/1078844110.db2.gz BNEZBODKAJHRKQ-KBAYOESNSA-N 1 0 403.527 0.912 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)cn2)CCO1 ZINC000670893913 1078844019 /nfs/dbraw/zinc/84/40/19/1078844019.db2.gz BNEZBODKAJHRKQ-NJAFHUGGSA-N 1 0 403.527 0.912 20 0 HCADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)cn2)CCO1 ZINC000670893914 1078844036 /nfs/dbraw/zinc/84/40/36/1078844036.db2.gz BNEZBODKAJHRKQ-NXHRZFHOSA-N 1 0 403.527 0.912 20 0 HCADRO C[C@H](NC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)C1CC[NH+](C)CC1 ZINC000670894117 1078844797 /nfs/dbraw/zinc/84/47/97/1078844797.db2.gz LJCWBSMPHUDBON-CVEARBPZSA-N 1 0 403.527 0.769 20 0 HCADRO C[C@H](NC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1)C1CC[NH+](C)CC1 ZINC000670894118 1078844803 /nfs/dbraw/zinc/84/48/03/1078844803.db2.gz LJCWBSMPHUDBON-HOTGVXAUSA-N 1 0 403.527 0.769 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)C1CC[NH+](C)CC1 ZINC000670894119 1078844735 /nfs/dbraw/zinc/84/47/35/1078844735.db2.gz LJCWBSMPHUDBON-HZPDHXFCSA-N 1 0 403.527 0.769 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1)C1CC[NH+](C)CC1 ZINC000670894120 1078844799 /nfs/dbraw/zinc/84/47/99/1078844799.db2.gz LJCWBSMPHUDBON-JKSUJKDBSA-N 1 0 403.527 0.769 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000670894855 1078844753 /nfs/dbraw/zinc/84/47/53/1078844753.db2.gz QWWVPGXQFXJTBU-UHFFFAOYSA-N 1 0 400.527 0.957 20 0 HCADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000670894926 1078844775 /nfs/dbraw/zinc/84/47/75/1078844775.db2.gz HELGUWFQZSQWRR-INIZCTEOSA-N 1 0 400.545 0.050 20 0 HCADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000670894927 1078844825 /nfs/dbraw/zinc/84/48/25/1078844825.db2.gz HELGUWFQZSQWRR-MRXNPFEDSA-N 1 0 400.545 0.050 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000670895089 1078844786 /nfs/dbraw/zinc/84/47/86/1078844786.db2.gz KOCCCKHSDSKDDD-UHFFFAOYSA-N 1 0 408.543 0.511 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3ccnc(-n4cccn4)c3)CC2)C1 ZINC000670899374 1078845938 /nfs/dbraw/zinc/84/59/38/1078845938.db2.gz MWXYSTIGGWXNAZ-GOSISDBHSA-N 1 0 411.510 0.122 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3ccnc(-n4cccn4)c3)CC2)C1 ZINC000670899375 1078846030 /nfs/dbraw/zinc/84/60/30/1078846030.db2.gz MWXYSTIGGWXNAZ-SFHVURJKSA-N 1 0 411.510 0.122 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3ccnc(-n4cccn4)c3)C2)CC1 ZINC000670899386 1078845980 /nfs/dbraw/zinc/84/59/80/1078845980.db2.gz OLAQDRUOIAAHFJ-KRWDZBQOSA-N 1 0 411.510 0.168 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3ccnc(-n4cccn4)c3)C2)CC1 ZINC000670899387 1078845872 /nfs/dbraw/zinc/84/58/72/1078845872.db2.gz OLAQDRUOIAAHFJ-QGZVFWFLSA-N 1 0 411.510 0.168 20 0 HCADRO COc1ncccc1CNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000670902816 1078848243 /nfs/dbraw/zinc/84/82/43/1078848243.db2.gz CKDSWIRNEHWBEN-UHFFFAOYSA-N 1 0 403.527 0.723 20 0 HCADRO COc1ncccc1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000670902999 1078849046 /nfs/dbraw/zinc/84/90/46/1078849046.db2.gz UBQRJJXOAISYQT-UHFFFAOYSA-N 1 0 412.490 0.980 20 0 HCADRO CCOc1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670903424 1078849069 /nfs/dbraw/zinc/84/90/69/1078849069.db2.gz WGEVIXGPFVQKTM-GOSISDBHSA-N 1 0 403.527 0.723 20 0 HCADRO CCOc1ncccc1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670903425 1078848990 /nfs/dbraw/zinc/84/89/90/1078848990.db2.gz WGEVIXGPFVQKTM-SFHVURJKSA-N 1 0 403.527 0.723 20 0 HCADRO O=C(NCc1cccnc1N1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670904080 1078850198 /nfs/dbraw/zinc/85/01/98/1078850198.db2.gz CFIMEOZMMLEDBD-UHFFFAOYSA-N 1 0 410.478 0.278 20 0 HCADRO O=C(NCc1cccnc1N1CCOCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670904163 1078849806 /nfs/dbraw/zinc/84/98/06/1078849806.db2.gz ZSTRLCPFYLBLLJ-GOSISDBHSA-N 1 0 401.511 0.621 20 0 HCADRO O=C(NCc1cccnc1N1CCOCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670904164 1078849795 /nfs/dbraw/zinc/84/97/95/1078849795.db2.gz ZSTRLCPFYLBLLJ-SFHVURJKSA-N 1 0 401.511 0.621 20 0 HCADRO O=C(NCc1cccc(CN2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670904871 1078849433 /nfs/dbraw/zinc/84/94/33/1078849433.db2.gz LZBFSUOQBSAZPB-PMACEKPBSA-N 1 0 400.523 0.878 20 0 HCADRO O=C(NCc1cccc(CN2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670904872 1078849387 /nfs/dbraw/zinc/84/93/87/1078849387.db2.gz LZBFSUOQBSAZPB-UXHICEINSA-N 1 0 400.523 0.878 20 0 HCADRO O=C(NCc1cccc(CN2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670904873 1078849465 /nfs/dbraw/zinc/84/94/65/1078849465.db2.gz LZBFSUOQBSAZPB-VQTJNVASSA-N 1 0 400.523 0.878 20 0 HCADRO O=C(NCc1cccc(CN2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670904874 1078849456 /nfs/dbraw/zinc/84/94/56/1078849456.db2.gz LZBFSUOQBSAZPB-WOJBJXKFSA-N 1 0 400.523 0.878 20 0 HCADRO O=C(NCc1cccc(CN2CCOCC2)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670904893 1078850956 /nfs/dbraw/zinc/85/09/56/1078850956.db2.gz PBRZCRUYZJUWOH-FQEVSTJZSA-N 1 0 400.523 0.736 20 0 HCADRO O=C(NCc1cccc(CN2CCOCC2)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670904894 1078850245 /nfs/dbraw/zinc/85/02/45/1078850245.db2.gz PBRZCRUYZJUWOH-HXUWFJFHSA-N 1 0 400.523 0.736 20 0 HCADRO O=C(NCc1cccc(CN2CCOCC2)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670905031 1078850545 /nfs/dbraw/zinc/85/05/45/1078850545.db2.gz ZNKNBALRQKMUNJ-UHFFFAOYSA-N 1 0 423.517 0.879 20 0 HCADRO C[C@H](NC(=O)C(=O)NCc1cccc(CN2CCOCC2)c1)C1CC[NH+](C)CC1 ZINC000670905127 1078850907 /nfs/dbraw/zinc/85/09/07/1078850907.db2.gz FVYDCZMHQMQXNV-KRWDZBQOSA-N 1 0 402.539 0.982 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCc1cccc(CN2CCOCC2)c1)C1CC[NH+](C)CC1 ZINC000670905128 1078850975 /nfs/dbraw/zinc/85/09/75/1078850975.db2.gz FVYDCZMHQMQXNV-QGZVFWFLSA-N 1 0 402.539 0.982 20 0 HCADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC000670905608 1078850525 /nfs/dbraw/zinc/85/05/25/1078850525.db2.gz RIYVPPNZJBOPQQ-UHFFFAOYSA-N 1 0 410.540 0.152 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3cccc(Cn4ccnc4)c3)C2)CC1 ZINC000670907450 1078851588 /nfs/dbraw/zinc/85/15/88/1078851588.db2.gz RIGXZOGPZUODOT-FQEVSTJZSA-N 1 0 424.549 0.832 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3cccc(Cn4ccnc4)c3)C2)CC1 ZINC000670907451 1078851650 /nfs/dbraw/zinc/85/16/50/1078851650.db2.gz RIGXZOGPZUODOT-HXUWFJFHSA-N 1 0 424.549 0.832 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1O ZINC000670910056 1078852783 /nfs/dbraw/zinc/85/27/83/1078852783.db2.gz SBGGCRSQXYLSHF-KRWDZBQOSA-N 1 0 404.511 0.644 20 0 HCADRO COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1O ZINC000670910057 1078852856 /nfs/dbraw/zinc/85/28/56/1078852856.db2.gz SBGGCRSQXYLSHF-QGZVFWFLSA-N 1 0 404.511 0.644 20 0 HCADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1c(F)cccc1F ZINC000670922773 1078855707 /nfs/dbraw/zinc/85/57/07/1078855707.db2.gz WCLPOIASVZPDKP-AWEZNQCLSA-N 1 0 408.449 0.909 20 0 HCADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1c(F)cccc1F ZINC000670922774 1078855724 /nfs/dbraw/zinc/85/57/24/1078855724.db2.gz WCLPOIASVZPDKP-CQSZACIVSA-N 1 0 408.449 0.909 20 0 HCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000670957904 1078867849 /nfs/dbraw/zinc/86/78/49/1078867849.db2.gz JTVIGZSRDUKBKT-IBGZPJMESA-N 1 0 416.522 0.652 20 0 HCADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000670957905 1078867912 /nfs/dbraw/zinc/86/79/12/1078867912.db2.gz JTVIGZSRDUKBKT-LJQANCHMSA-N 1 0 416.522 0.652 20 0 HCADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000670958241 1078869591 /nfs/dbraw/zinc/86/95/91/1078869591.db2.gz RLJJFQGAYIUFGH-OALUTQOASA-N 1 0 402.495 0.569 20 0 HCADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000670958242 1078869612 /nfs/dbraw/zinc/86/96/12/1078869612.db2.gz RLJJFQGAYIUFGH-RBUKOAKNSA-N 1 0 402.495 0.569 20 0 HCADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000670958243 1078869586 /nfs/dbraw/zinc/86/95/86/1078869586.db2.gz RLJJFQGAYIUFGH-RTBURBONSA-N 1 0 402.495 0.569 20 0 HCADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000670958279 1078869595 /nfs/dbraw/zinc/86/95/95/1078869595.db2.gz GHIIYIJKVPTOAG-FQEVSTJZSA-N 1 0 415.538 0.485 20 0 HCADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000670958280 1078869633 /nfs/dbraw/zinc/86/96/33/1078869633.db2.gz GHIIYIJKVPTOAG-HXUWFJFHSA-N 1 0 415.538 0.485 20 0 HCADRO Cn1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](Cc4ccncc4)CC3)CC2)cn1 ZINC000670958286 1078869578 /nfs/dbraw/zinc/86/95/78/1078869578.db2.gz HGRRJFYRTHZLAJ-UHFFFAOYSA-N 1 0 411.510 0.245 20 0 HCADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000670958319 1078869622 /nfs/dbraw/zinc/86/96/22/1078869622.db2.gz SNBATLRAXFUVJW-GOSISDBHSA-N 1 0 401.511 0.632 20 0 HCADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000670958320 1078869571 /nfs/dbraw/zinc/86/95/71/1078869571.db2.gz SNBATLRAXFUVJW-SFHVURJKSA-N 1 0 401.511 0.632 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000670958365 1078869151 /nfs/dbraw/zinc/86/91/51/1078869151.db2.gz JFZLKDCKENVJPO-UHFFFAOYSA-N 1 0 423.521 0.609 20 0 HCADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NC1CC[NH+](Cc3ccncc3)CC1)C[C@@H](C)O2 ZINC000670958366 1078869194 /nfs/dbraw/zinc/86/91/94/1078869194.db2.gz KEPDFAYCPDWMIC-DRSNIGMVSA-N 1 0 416.522 0.957 20 0 HCADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NC1CC[NH+](Cc3ccncc3)CC1)C[C@@H](C)O2 ZINC000670958367 1078869272 /nfs/dbraw/zinc/86/92/72/1078869272.db2.gz KEPDFAYCPDWMIC-HYFFOGBASA-N 1 0 416.522 0.957 20 0 HCADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NC1CC[NH+](Cc3ccncc3)CC1)C[C@@H](C)O2 ZINC000670958368 1078869143 /nfs/dbraw/zinc/86/91/43/1078869143.db2.gz KEPDFAYCPDWMIC-JLHGSKIFSA-N 1 0 416.522 0.957 20 0 HCADRO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NC1CC[NH+](Cc3ccncc3)CC1)C[C@@H](C)O2 ZINC000670958369 1078869226 /nfs/dbraw/zinc/86/92/26/1078869226.db2.gz KEPDFAYCPDWMIC-YVHKJVDXSA-N 1 0 416.522 0.957 20 0 HCADRO O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000670958426 1078869132 /nfs/dbraw/zinc/86/91/32/1078869132.db2.gz ZMXLUBHDATXQNP-IBGZPJMESA-N 1 0 408.506 0.952 20 0 HCADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000670958427 1078869218 /nfs/dbraw/zinc/86/92/18/1078869218.db2.gz ZMXLUBHDATXQNP-LJQANCHMSA-N 1 0 408.506 0.952 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000670958465 1078869202 /nfs/dbraw/zinc/86/92/02/1078869202.db2.gz LOCHXVUSCRPCEJ-HKUYNNGSSA-N 1 0 415.538 0.925 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000670958466 1078869264 /nfs/dbraw/zinc/86/92/64/1078869264.db2.gz LOCHXVUSCRPCEJ-IEBWSBKVSA-N 1 0 415.538 0.925 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000670958467 1078869188 /nfs/dbraw/zinc/86/91/88/1078869188.db2.gz LOCHXVUSCRPCEJ-MJGOQNOKSA-N 1 0 415.538 0.925 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000670958468 1078868626 /nfs/dbraw/zinc/86/86/26/1078868626.db2.gz LOCHXVUSCRPCEJ-PKOBYXMFSA-N 1 0 415.538 0.925 20 0 HCADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)cc1 ZINC000670958692 1078868611 /nfs/dbraw/zinc/86/86/11/1078868611.db2.gz LJFVEFPHDCBGCL-INIZCTEOSA-N 1 0 404.511 0.760 20 0 HCADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)cc1 ZINC000670958693 1078868573 /nfs/dbraw/zinc/86/85/73/1078868573.db2.gz LJFVEFPHDCBGCL-MRXNPFEDSA-N 1 0 404.511 0.760 20 0 HCADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H](NC(=O)NC)C2)cc1 ZINC000670958717 1078868585 /nfs/dbraw/zinc/86/85/85/1078868585.db2.gz NJYFDGBHNHCYJT-KRWDZBQOSA-N 1 0 419.526 0.553 20 0 HCADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC)C2)cc1 ZINC000670958718 1078868616 /nfs/dbraw/zinc/86/86/16/1078868616.db2.gz NJYFDGBHNHCYJT-QGZVFWFLSA-N 1 0 419.526 0.553 20 0 HCADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000670958929 1078871630 /nfs/dbraw/zinc/87/16/30/1078871630.db2.gz KMLHUMVAMUJYDB-INIZCTEOSA-N 1 0 404.511 0.760 20 0 HCADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCNC(=O)C[C@H]1C ZINC000670958930 1078871651 /nfs/dbraw/zinc/87/16/51/1078871651.db2.gz KMLHUMVAMUJYDB-MRXNPFEDSA-N 1 0 404.511 0.760 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCOC[C@@H]3CCOC3)cn2)CC1 ZINC000670959631 1078870251 /nfs/dbraw/zinc/87/02/51/1078870251.db2.gz XJYLXWATCJCKHE-GOSISDBHSA-N 1 0 419.526 0.009 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCOC[C@H]3CCOC3)cn2)CC1 ZINC000670959632 1078868906 /nfs/dbraw/zinc/86/89/06/1078868906.db2.gz XJYLXWATCJCKHE-SFHVURJKSA-N 1 0 419.526 0.009 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn2)CC1 ZINC000670959646 1078869973 /nfs/dbraw/zinc/86/99/73/1078869973.db2.gz CDXUNVRGBVWEAT-IBGZPJMESA-N 1 0 414.554 0.440 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cn2)CC1 ZINC000670959647 1078869881 /nfs/dbraw/zinc/86/98/81/1078869881.db2.gz CDXUNVRGBVWEAT-LJQANCHMSA-N 1 0 414.554 0.440 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(CCO)CC(C)(C)C)cn2)CC1 ZINC000670959711 1078870378 /nfs/dbraw/zinc/87/03/78/1078870378.db2.gz MBUCMJWURLHUFB-UHFFFAOYSA-N 1 0 405.543 0.707 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)C3CCOCC3)cn2)CC1 ZINC000670959716 1078870404 /nfs/dbraw/zinc/87/04/04/1078870404.db2.gz NRNPFPZEPDQCOF-INIZCTEOSA-N 1 0 403.527 0.771 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)C3CCOCC3)cn2)CC1 ZINC000670959717 1078870304 /nfs/dbraw/zinc/87/03/04/1078870304.db2.gz NRNPFPZEPDQCOF-MRXNPFEDSA-N 1 0 403.527 0.771 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)C[C@H]3CCOC3)cn2)CC1 ZINC000670959752 1078870293 /nfs/dbraw/zinc/87/02/93/1078870293.db2.gz USZMKFFDWHBNBQ-DLBZAZTESA-N 1 0 403.527 0.771 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)C[C@H]3CCOC3)cn2)CC1 ZINC000670959753 1078870396 /nfs/dbraw/zinc/87/03/96/1078870396.db2.gz USZMKFFDWHBNBQ-IAGOWNOFSA-N 1 0 403.527 0.771 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)C[C@@H]3CCOC3)cn2)CC1 ZINC000670959754 1078870386 /nfs/dbraw/zinc/87/03/86/1078870386.db2.gz USZMKFFDWHBNBQ-IRXDYDNUSA-N 1 0 403.527 0.771 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)C[C@@H]3CCOC3)cn2)CC1 ZINC000670959755 1078870314 /nfs/dbraw/zinc/87/03/14/1078870314.db2.gz USZMKFFDWHBNBQ-SJORKVTESA-N 1 0 403.527 0.771 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]3CCCCO3)cn2)CC1 ZINC000670959770 1078870347 /nfs/dbraw/zinc/87/03/47/1078870347.db2.gz YTPDACOMDYAPMP-AEFFLSMTSA-N 1 0 403.527 0.914 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]3CCCCO3)cn2)CC1 ZINC000670959771 1078870453 /nfs/dbraw/zinc/87/04/53/1078870453.db2.gz YTPDACOMDYAPMP-FUHWJXTLSA-N 1 0 403.527 0.914 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)[C@H]3CCCCO3)cn2)CC1 ZINC000670959772 1078870416 /nfs/dbraw/zinc/87/04/16/1078870416.db2.gz YTPDACOMDYAPMP-SJLPKXTDSA-N 1 0 403.527 0.914 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]3CCCCO3)cn2)CC1 ZINC000670959773 1078870260 /nfs/dbraw/zinc/87/02/60/1078870260.db2.gz YTPDACOMDYAPMP-WMZOPIPTSA-N 1 0 403.527 0.914 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC3(OC)CCOCC3)cn2)CC1 ZINC000670959797 1078869984 /nfs/dbraw/zinc/86/99/84/1078869984.db2.gz CMTAZNJLBAZGLW-UHFFFAOYSA-N 1 0 419.526 0.152 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)CCOCC3CC3)cn2)CC1 ZINC000670959809 1078869934 /nfs/dbraw/zinc/86/99/34/1078869934.db2.gz GAGBXOQOTVPDKQ-UHFFFAOYSA-N 1 0 403.527 0.725 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC3(CCOC)CC3)cn2)CC1 ZINC000670959841 1078869951 /nfs/dbraw/zinc/86/99/51/1078869951.db2.gz MTULNEPXPNCXHY-UHFFFAOYSA-N 1 0 403.527 0.773 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc(F)cn3)cn2)CC1 ZINC000670959883 1078869943 /nfs/dbraw/zinc/86/99/43/1078869943.db2.gz UZSCCEXJAHKQIB-UHFFFAOYSA-N 1 0 400.458 0.690 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3cccc(OC)n3)cn2)CC1 ZINC000670959885 1078869997 /nfs/dbraw/zinc/86/99/97/1078869997.db2.gz VCNRTGQMHZDPCZ-UHFFFAOYSA-N 1 0 412.494 0.560 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@]4(CCOC4)C3)cn2)CC1 ZINC000670959923 1078870668 /nfs/dbraw/zinc/87/06/68/1078870668.db2.gz AKTIVOBPHFICTJ-NRFANRHFSA-N 1 0 401.511 0.479 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@]4(CCOC4)C3)cn2)CC1 ZINC000670959924 1078870689 /nfs/dbraw/zinc/87/06/89/1078870689.db2.gz AKTIVOBPHFICTJ-OAQYLSRUSA-N 1 0 401.511 0.479 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCc3nc(C)cs3)cn2)CC1 ZINC000670959947 1078872806 /nfs/dbraw/zinc/87/28/06/1078872806.db2.gz HAKUUKRCKLGROE-UHFFFAOYSA-N 1 0 416.551 0.964 20 0 HCADRO CCN(C[C@H]1CCOC1)C(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000670959984 1078872733 /nfs/dbraw/zinc/87/27/33/1078872733.db2.gz OTQGQISPNRSGIV-GOSISDBHSA-N 1 0 403.527 0.725 20 0 HCADRO CCN(C[C@@H]1CCOC1)C(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000670959985 1078872794 /nfs/dbraw/zinc/87/27/94/1078872794.db2.gz OTQGQISPNRSGIV-SFHVURJKSA-N 1 0 403.527 0.725 20 0 HCADRO CCO[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000670960027 1078872789 /nfs/dbraw/zinc/87/27/89/1078872789.db2.gz UTQWIKYLEZBKCF-GOSISDBHSA-N 1 0 403.527 0.867 20 0 HCADRO CCO[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000670960028 1078872755 /nfs/dbraw/zinc/87/27/55/1078872755.db2.gz UTQWIKYLEZBKCF-SFHVURJKSA-N 1 0 403.527 0.867 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCn4cc(C)nc4C3)cn2)CC1 ZINC000670960035 1078872718 /nfs/dbraw/zinc/87/27/18/1078872718.db2.gz VXZFWLHAEKENNX-UHFFFAOYSA-N 1 0 411.510 0.387 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCNC(=O)C[C@@H]3C)cc2)CC1 ZINC000670960077 1078872402 /nfs/dbraw/zinc/87/24/02/1078872402.db2.gz CFHVYLVAUYUNGJ-KRWDZBQOSA-N 1 0 415.538 0.177 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCNC(=O)C[C@H]3C)cc2)CC1 ZINC000670960078 1078872350 /nfs/dbraw/zinc/87/23/50/1078872350.db2.gz CFHVYLVAUYUNGJ-QGZVFWFLSA-N 1 0 415.538 0.177 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCc4c[nH]nc4C3)cc2)CC1 ZINC000670960110 1078872436 /nfs/dbraw/zinc/87/24/36/1078872436.db2.gz HIESOTHMQDYHRZ-UHFFFAOYSA-N 1 0 410.522 0.748 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCc3ccnc(C)n3)cc2)CC1 ZINC000670960313 1078872453 /nfs/dbraw/zinc/87/24/53/1078872453.db2.gz GJDTYNZMZMYVNA-UHFFFAOYSA-N 1 0 410.522 0.855 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N(C)C[C@H](O)C3CC3)cc2)CC1 ZINC000670960316 1078872328 /nfs/dbraw/zinc/87/23/28/1078872328.db2.gz GYWNIIDDHIGBDL-FQEVSTJZSA-N 1 0 402.539 0.670 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C3CC3)cc2)CC1 ZINC000670960317 1078872374 /nfs/dbraw/zinc/87/23/74/1078872374.db2.gz GYWNIIDDHIGBDL-HXUWFJFHSA-N 1 0 402.539 0.670 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCc3cc(C)ncn3)cc2)CC1 ZINC000670960368 1078872018 /nfs/dbraw/zinc/87/20/18/1078872018.db2.gz MQADDUCHXAUSHZ-UHFFFAOYSA-N 1 0 410.522 0.855 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CCCOC3)cc2)CC1 ZINC000670960412 1078872111 /nfs/dbraw/zinc/87/21/11/1078872111.db2.gz YGBSFSMPOZAYGM-FQEVSTJZSA-N 1 0 402.539 0.983 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H]3CCCOC3)cc2)CC1 ZINC000670960413 1078871994 /nfs/dbraw/zinc/87/19/94/1078871994.db2.gz YGBSFSMPOZAYGM-HXUWFJFHSA-N 1 0 402.539 0.983 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCn4cc(C)nc4C3)cc2)CC1 ZINC000670960468 1078872090 /nfs/dbraw/zinc/87/20/90/1078872090.db2.gz IKRVUHUMAWGIJQ-UHFFFAOYSA-N 1 0 424.549 0.988 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCCCn3ccnn3)cc2)CC1 ZINC000670960496 1078872067 /nfs/dbraw/zinc/87/20/67/1078872067.db2.gz NOMJDRBPKXUTGA-UHFFFAOYSA-N 1 0 413.526 0.238 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCc3c[nH]nc3C2)CC1 ZINC000670960516 1078872391 /nfs/dbraw/zinc/87/23/91/1078872391.db2.gz REHRPADXPRXYAH-UHFFFAOYSA-N 1 0 410.522 0.748 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000670960517 1078872316 /nfs/dbraw/zinc/87/23/16/1078872316.db2.gz RERDHNMIAGIALG-KRWDZBQOSA-N 1 0 415.538 0.177 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000670960518 1078872426 /nfs/dbraw/zinc/87/24/26/1078872426.db2.gz RERDHNMIAGIALG-QGZVFWFLSA-N 1 0 415.538 0.177 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NCc2ccnc(C)n2)CC1 ZINC000670960601 1078872058 /nfs/dbraw/zinc/87/20/58/1078872058.db2.gz JWEMLUGRCWQZDG-UHFFFAOYSA-N 1 0 410.522 0.855 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NCc2cc(C)ncn2)CC1 ZINC000670960618 1078872026 /nfs/dbraw/zinc/87/20/26/1078872026.db2.gz MUGYIQRLIXBMNJ-UHFFFAOYSA-N 1 0 410.522 0.855 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CCCOC2)CC1 ZINC000670960666 1078870736 /nfs/dbraw/zinc/87/07/36/1078870736.db2.gz VOQRWWZCRPQTPO-GOSISDBHSA-N 1 0 402.539 0.983 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CCCOC2)CC1 ZINC000670960667 1078870631 /nfs/dbraw/zinc/87/06/31/1078870631.db2.gz VOQRWWZCRPQTPO-SFHVURJKSA-N 1 0 402.539 0.983 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)C[C@H](O)C2CC2)CC1 ZINC000670960813 1078870709 /nfs/dbraw/zinc/87/07/09/1078870709.db2.gz WIABWFKBBKULJD-FQEVSTJZSA-N 1 0 402.539 0.670 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)C[C@@H](O)C2CC2)CC1 ZINC000670960814 1078870749 /nfs/dbraw/zinc/87/07/49/1078870749.db2.gz WIABWFKBBKULJD-HXUWFJFHSA-N 1 0 402.539 0.670 20 0 HCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCn3cc(C)nc3C2)CC1 ZINC000670960815 1078870609 /nfs/dbraw/zinc/87/06/09/1078870609.db2.gz WKNCSCXAJDDZNI-UHFFFAOYSA-N 1 0 424.549 0.988 20 0 HCADRO COCc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000670963217 1078874420 /nfs/dbraw/zinc/87/44/20/1078874420.db2.gz MLCFDOJFWMCJSH-FXAWDEMLSA-N 1 0 402.539 0.934 20 0 HCADRO COCc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000670963218 1078874403 /nfs/dbraw/zinc/87/44/03/1078874403.db2.gz MLCFDOJFWMCJSH-PXNSSMCTSA-N 1 0 402.539 0.934 20 0 HCADRO COCc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000670963219 1078874452 /nfs/dbraw/zinc/87/44/52/1078874452.db2.gz MLCFDOJFWMCJSH-XLIONFOSSA-N 1 0 402.539 0.934 20 0 HCADRO COCc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000670963220 1078874392 /nfs/dbraw/zinc/87/43/92/1078874392.db2.gz MLCFDOJFWMCJSH-YLJYHZDGSA-N 1 0 402.539 0.934 20 0 HCADRO COCc1ccccc1CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000670963882 1078873518 /nfs/dbraw/zinc/87/35/18/1078873518.db2.gz WCYJSEDDSPPYIK-UHFFFAOYSA-N 1 0 404.511 0.508 20 0 HCADRO COCc1cccc(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000670964291 1078873994 /nfs/dbraw/zinc/87/39/94/1078873994.db2.gz ZAUPXYLMQQNNGG-UHFFFAOYSA-N 1 0 411.506 0.912 20 0 HCADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000670967575 1078876722 /nfs/dbraw/zinc/87/67/22/1078876722.db2.gz BUVBQGQYCMDOEB-UHFFFAOYSA-N 1 0 417.554 0.377 20 0 HCADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000670967627 1078876707 /nfs/dbraw/zinc/87/67/07/1078876707.db2.gz RIYUXXAYRYGHIQ-UHFFFAOYSA-N 1 0 421.586 0.381 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccsc1 ZINC000670970009 1078877978 /nfs/dbraw/zinc/87/79/78/1078877978.db2.gz MASPFNFSANYLPA-HNNXBMFYSA-N 1 0 416.569 0.255 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccsc1 ZINC000670970010 1078877989 /nfs/dbraw/zinc/87/79/89/1078877989.db2.gz MASPFNFSANYLPA-OAHLLOKOSA-N 1 0 416.569 0.255 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000670970481 1078877998 /nfs/dbraw/zinc/87/79/98/1078877998.db2.gz QNZHTJMXZASWDL-IBGZPJMESA-N 1 0 424.586 0.860 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000670970482 1078877936 /nfs/dbraw/zinc/87/79/36/1078877936.db2.gz QNZHTJMXZASWDL-LJQANCHMSA-N 1 0 424.586 0.860 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1)Cc1ccccc1 ZINC000670976669 1078879769 /nfs/dbraw/zinc/87/97/69/1078879769.db2.gz MDBPGQHHJVTWTF-HOJAQTOUSA-N 1 0 404.555 0.891 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)Cc1ccccc1 ZINC000670976670 1078879777 /nfs/dbraw/zinc/87/97/77/1078879777.db2.gz MDBPGQHHJVTWTF-IHPCNDPISA-N 1 0 404.555 0.891 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)Cc1ccccc1 ZINC000670976671 1078879687 /nfs/dbraw/zinc/87/96/87/1078879687.db2.gz MDBPGQHHJVTWTF-YSIASYRMSA-N 1 0 404.555 0.891 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1)Cc1ccccc1 ZINC000670976672 1078879712 /nfs/dbraw/zinc/87/97/12/1078879712.db2.gz MDBPGQHHJVTWTF-YZGWKJHDSA-N 1 0 404.555 0.891 20 0 HCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)Cc1ccccc1 ZINC000670976922 1078881588 /nfs/dbraw/zinc/88/15/88/1078881588.db2.gz MWVKDSFUIJQLLR-GOSISDBHSA-N 1 0 424.567 0.063 20 0 HCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)Cc1ccccc1 ZINC000670976923 1078881547 /nfs/dbraw/zinc/88/15/47/1078881547.db2.gz MWVKDSFUIJQLLR-SFHVURJKSA-N 1 0 424.567 0.063 20 0 HCADRO COC1(CO)CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000670977006 1078881528 /nfs/dbraw/zinc/88/15/28/1078881528.db2.gz AIVISWDXGRDAIG-UHFFFAOYSA-N 1 0 403.523 0.939 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CN(C)CCO1 ZINC000670977120 1078881473 /nfs/dbraw/zinc/88/14/73/1078881473.db2.gz AVOWDCICICGZSW-APWZRJJASA-N 1 0 402.539 0.775 20 0 HCADRO C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CN(C)CCO1 ZINC000670977121 1078881610 /nfs/dbraw/zinc/88/16/10/1078881610.db2.gz AVOWDCICICGZSW-LPHOPBHVSA-N 1 0 402.539 0.775 20 0 HCADRO C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CN(C)CCO1 ZINC000670977122 1078881654 /nfs/dbraw/zinc/88/16/54/1078881654.db2.gz AVOWDCICICGZSW-QFBILLFUSA-N 1 0 402.539 0.775 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CN(C)CCO1 ZINC000670977123 1078881558 /nfs/dbraw/zinc/88/15/58/1078881558.db2.gz AVOWDCICICGZSW-VQIMIIECSA-N 1 0 402.539 0.775 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCN3CCc4ccccc4C3)CC2)C1 ZINC000670977321 1078881124 /nfs/dbraw/zinc/88/11/24/1078881124.db2.gz CNNKWWIMUBHFKM-NRFANRHFSA-N 1 0 413.566 0.399 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCN3CCc4ccccc4C3)C2)CC1 ZINC000670977396 1078881262 /nfs/dbraw/zinc/88/12/62/1078881262.db2.gz WXRFIZURJNZTNE-FQEVSTJZSA-N 1 0 413.566 0.446 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCN3CCc4ccccc4C3)C2)CC1 ZINC000670977397 1078881092 /nfs/dbraw/zinc/88/10/92/1078881092.db2.gz WXRFIZURJNZTNE-HXUWFJFHSA-N 1 0 413.566 0.446 20 0 HCADRO O=C(NCCNC(=O)c1cccnc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000670977765 1078880693 /nfs/dbraw/zinc/88/06/93/1078880693.db2.gz BRWCLCSQFVOKGX-UHFFFAOYSA-N 1 0 423.517 0.956 20 0 HCADRO O=C(NCCNC(=O)c1cccnc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000670977772 1078880706 /nfs/dbraw/zinc/88/07/06/1078880706.db2.gz DCFVTZAIFMUVRK-IBGZPJMESA-N 1 0 423.517 0.956 20 0 HCADRO O=C(NCCNC(=O)c1cccnc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000670977773 1078880791 /nfs/dbraw/zinc/88/07/91/1078880791.db2.gz DCFVTZAIFMUVRK-LJQANCHMSA-N 1 0 423.517 0.956 20 0 HCADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000670977999 1078881627 /nfs/dbraw/zinc/88/16/27/1078881627.db2.gz VBSHFGCUCNXPFG-IBGZPJMESA-N 1 0 409.490 0.661 20 0 HCADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000670978000 1078881918 /nfs/dbraw/zinc/88/19/18/1078881918.db2.gz VBSHFGCUCNXPFG-LJQANCHMSA-N 1 0 409.490 0.661 20 0 HCADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000670978052 1078882344 /nfs/dbraw/zinc/88/23/44/1078882344.db2.gz HGPFQPJBKMFJEX-UHFFFAOYSA-N 1 0 423.517 0.971 20 0 HCADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000670978075 1078882250 /nfs/dbraw/zinc/88/22/50/1078882250.db2.gz MTSYKZARPVJAIU-APWZRJJASA-N 1 0 409.490 0.879 20 0 HCADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000670978076 1078882314 /nfs/dbraw/zinc/88/23/14/1078882314.db2.gz MTSYKZARPVJAIU-LPHOPBHVSA-N 1 0 409.490 0.879 20 0 HCADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000670978078 1078882259 /nfs/dbraw/zinc/88/22/59/1078882259.db2.gz MTSYKZARPVJAIU-VQIMIIECSA-N 1 0 409.490 0.879 20 0 HCADRO CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000670978430 1078880122 /nfs/dbraw/zinc/88/01/22/1078880122.db2.gz KAFPETXBSUVTIA-GOSISDBHSA-N 1 0 402.543 0.391 20 0 HCADRO CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000670978431 1078880146 /nfs/dbraw/zinc/88/01/46/1078880146.db2.gz KAFPETXBSUVTIA-SFHVURJKSA-N 1 0 402.543 0.391 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCc3ccc(N(C)C)nc3)CC2)CC1 ZINC000670978434 1078880058 /nfs/dbraw/zinc/88/00/58/1078880058.db2.gz KFUJIAKTSSVQER-UHFFFAOYSA-N 1 0 416.570 0.781 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCc3cccnc3N(C)C)CC2)CC1 ZINC000670979040 1078883367 /nfs/dbraw/zinc/88/33/67/1078883367.db2.gz SPMPGDPBFMWPOF-UHFFFAOYSA-N 1 0 416.570 0.781 20 0 HCADRO CN(C)c1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670979055 1078881966 /nfs/dbraw/zinc/88/19/66/1078881966.db2.gz XSUFFVSYKLHIEB-GOSISDBHSA-N 1 0 402.543 0.391 20 0 HCADRO CN(C)c1ncccc1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670979056 1078881926 /nfs/dbraw/zinc/88/19/26/1078881926.db2.gz XSUFFVSYKLHIEB-SFHVURJKSA-N 1 0 402.543 0.391 20 0 HCADRO CC[C@@H](CNC(=O)C(=O)N1CCC(CO)(OC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000670979623 1078882706 /nfs/dbraw/zinc/88/27/06/1078882706.db2.gz ISWIARPHNXLHEG-IBGZPJMESA-N 1 0 403.523 0.939 20 0 HCADRO CC[C@H](CNC(=O)C(=O)N1CCC(CO)(OC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000670979624 1078882661 /nfs/dbraw/zinc/88/26/61/1078882661.db2.gz ISWIARPHNXLHEG-LJQANCHMSA-N 1 0 403.523 0.939 20 0 HCADRO CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000670979901 1078882222 /nfs/dbraw/zinc/88/22/22/1078882222.db2.gz UHCYXDRNVYHFQF-AHRSYUTCSA-N 1 0 402.539 0.775 20 0 HCADRO CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000670979902 1078882273 /nfs/dbraw/zinc/88/22/73/1078882273.db2.gz UHCYXDRNVYHFQF-DBVUQKKJSA-N 1 0 402.539 0.775 20 0 HCADRO CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000670979903 1078882422 /nfs/dbraw/zinc/88/24/22/1078882422.db2.gz UHCYXDRNVYHFQF-NSISKUIASA-N 1 0 402.539 0.775 20 0 HCADRO CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000670979904 1078882399 /nfs/dbraw/zinc/88/23/99/1078882399.db2.gz UHCYXDRNVYHFQF-PWIZWCRZSA-N 1 0 402.539 0.775 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N(C)c1ccccc1 ZINC000670980445 1078883908 /nfs/dbraw/zinc/88/39/08/1078883908.db2.gz VTWMHWBIEXPVSC-AZUAARDMSA-N 1 0 401.555 0.866 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N(C)c1ccccc1 ZINC000670980446 1078883871 /nfs/dbraw/zinc/88/38/71/1078883871.db2.gz VTWMHWBIEXPVSC-ICSRJNTNSA-N 1 0 401.555 0.866 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N(C)c1ccccc1 ZINC000670980447 1078883815 /nfs/dbraw/zinc/88/38/15/1078883815.db2.gz VTWMHWBIEXPVSC-QUCCMNQESA-N 1 0 401.555 0.866 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N(C)c1ccccc1 ZINC000670980448 1078883956 /nfs/dbraw/zinc/88/39/56/1078883956.db2.gz VTWMHWBIEXPVSC-UYAOXDASSA-N 1 0 401.555 0.866 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)N(C)c1ccccc1 ZINC000670980469 1078883936 /nfs/dbraw/zinc/88/39/36/1078883936.db2.gz ZQRYKXISWHUDRV-MSOLQXFVSA-N 1 0 401.555 0.912 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N(C)c1ccccc1 ZINC000670980470 1078883965 /nfs/dbraw/zinc/88/39/65/1078883965.db2.gz ZQRYKXISWHUDRV-QZTJIDSGSA-N 1 0 401.555 0.912 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)N(C)c1ccccc1 ZINC000670980471 1078883827 /nfs/dbraw/zinc/88/38/27/1078883827.db2.gz ZQRYKXISWHUDRV-ROUUACIJSA-N 1 0 401.555 0.912 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N(C)c1ccccc1 ZINC000670980472 1078883783 /nfs/dbraw/zinc/88/37/83/1078883783.db2.gz ZQRYKXISWHUDRV-ZWKOTPCHSA-N 1 0 401.555 0.912 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1)c1ccc(F)cc1 ZINC000670980755 1078883458 /nfs/dbraw/zinc/88/34/58/1078883458.db2.gz PUNTTYFSHKLOKT-GOSISDBHSA-N 1 0 416.453 0.725 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1)c1ccc(F)cc1 ZINC000670980756 1078883566 /nfs/dbraw/zinc/88/35/66/1078883566.db2.gz PUNTTYFSHKLOKT-SFHVURJKSA-N 1 0 416.453 0.725 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000670980771 1078883416 /nfs/dbraw/zinc/88/34/16/1078883416.db2.gz SCGLNVPESPFHSF-MOPGFXCFSA-N 1 0 406.502 0.868 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000670980772 1078883842 /nfs/dbraw/zinc/88/38/42/1078883842.db2.gz SCGLNVPESPFHSF-OALUTQOASA-N 1 0 406.502 0.868 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000670980773 1078883981 /nfs/dbraw/zinc/88/39/81/1078883981.db2.gz SCGLNVPESPFHSF-RBUKOAKNSA-N 1 0 406.502 0.868 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000670980774 1078883894 /nfs/dbraw/zinc/88/38/94/1078883894.db2.gz SCGLNVPESPFHSF-RTBURBONSA-N 1 0 406.502 0.868 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000670980840 1078883519 /nfs/dbraw/zinc/88/35/19/1078883519.db2.gz CVNCHJSHRFZYFC-SFHVURJKSA-N 1 0 414.485 0.992 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000670980995 1078885106 /nfs/dbraw/zinc/88/51/06/1078885106.db2.gz GTZQBBKGSQEHGC-GOSISDBHSA-N 1 0 422.501 0.546 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000670980996 1078885028 /nfs/dbraw/zinc/88/50/28/1078885028.db2.gz GTZQBBKGSQEHGC-SFHVURJKSA-N 1 0 422.501 0.546 20 0 HCADRO CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccsc1 ZINC000670981693 1078884293 /nfs/dbraw/zinc/88/42/93/1078884293.db2.gz FVOOIZAFGLUQLD-MSOLQXFVSA-N 1 0 407.584 0.705 20 0 HCADRO CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccsc1 ZINC000670981694 1078884318 /nfs/dbraw/zinc/88/43/18/1078884318.db2.gz FVOOIZAFGLUQLD-QZTJIDSGSA-N 1 0 407.584 0.705 20 0 HCADRO CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccsc1 ZINC000670981695 1078884212 /nfs/dbraw/zinc/88/42/12/1078884212.db2.gz FVOOIZAFGLUQLD-ROUUACIJSA-N 1 0 407.584 0.705 20 0 HCADRO CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccsc1 ZINC000670981696 1078883177 /nfs/dbraw/zinc/88/31/77/1078883177.db2.gz FVOOIZAFGLUQLD-ZWKOTPCHSA-N 1 0 407.584 0.705 20 0 HCADRO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000670981737 1078883114 /nfs/dbraw/zinc/88/31/14/1078883114.db2.gz NXBHNZKGPJRUKY-AEFFLSMTSA-N 1 0 407.584 0.752 20 0 HCADRO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000670981738 1078883018 /nfs/dbraw/zinc/88/30/18/1078883018.db2.gz NXBHNZKGPJRUKY-FUHWJXTLSA-N 1 0 407.584 0.752 20 0 HCADRO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000670981739 1078883095 /nfs/dbraw/zinc/88/30/95/1078883095.db2.gz NXBHNZKGPJRUKY-SJLPKXTDSA-N 1 0 407.584 0.752 20 0 HCADRO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000670981740 1078883135 /nfs/dbraw/zinc/88/31/35/1078883135.db2.gz NXBHNZKGPJRUKY-WMZOPIPTSA-N 1 0 407.584 0.752 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC1 ZINC000670983283 1078886177 /nfs/dbraw/zinc/88/61/77/1078886177.db2.gz HYIATHNUJHWXCZ-UHFFFAOYSA-N 1 0 421.586 0.428 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000670983536 1078885528 /nfs/dbraw/zinc/88/55/28/1078885528.db2.gz XAQHZJYGXZFPAD-UHFFFAOYSA-N 1 0 410.540 0.547 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000670983548 1078886544 /nfs/dbraw/zinc/88/65/44/1078886544.db2.gz ZTYOUSYBESPUHM-UHFFFAOYSA-N 1 0 422.551 0.691 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000670983637 1078885632 /nfs/dbraw/zinc/88/56/32/1078885632.db2.gz VKNJRJSXLYKSEX-INIZCTEOSA-N 1 0 401.511 0.329 20 0 HCADRO CC1CC[NH+](CCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000670983638 1078885514 /nfs/dbraw/zinc/88/55/14/1078885514.db2.gz VKNJRJSXLYKSEX-MRXNPFEDSA-N 1 0 401.511 0.329 20 0 HCADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000670983767 1078885549 /nfs/dbraw/zinc/88/55/49/1078885549.db2.gz QUFFDCKFPUURIG-IBGZPJMESA-N 1 0 416.570 0.556 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000670983768 1078885598 /nfs/dbraw/zinc/88/55/98/1078885598.db2.gz QUFFDCKFPUURIG-LJQANCHMSA-N 1 0 416.570 0.556 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000670984134 1078887260 /nfs/dbraw/zinc/88/72/60/1078887260.db2.gz QUOCDMDIHIQTES-HNNXBMFYSA-N 1 0 410.540 0.200 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000670984135 1078887112 /nfs/dbraw/zinc/88/71/12/1078887112.db2.gz QUOCDMDIHIQTES-OAHLLOKOSA-N 1 0 410.540 0.200 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000670984458 1078886526 /nfs/dbraw/zinc/88/65/26/1078886526.db2.gz ZQXJIZKKMYMDKT-INIZCTEOSA-N 1 0 422.551 0.691 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000670984459 1078886703 /nfs/dbraw/zinc/88/67/03/1078886703.db2.gz ZQXJIZKKMYMDKT-MRXNPFEDSA-N 1 0 422.551 0.691 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000670984672 1078886184 /nfs/dbraw/zinc/88/61/84/1078886184.db2.gz QWJGVYLZCZBVOL-HNNXBMFYSA-N 1 0 410.540 0.547 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000670984673 1078886088 /nfs/dbraw/zinc/88/60/88/1078886088.db2.gz QWJGVYLZCZBVOL-OAHLLOKOSA-N 1 0 410.540 0.547 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000670984804 1078886144 /nfs/dbraw/zinc/88/61/44/1078886144.db2.gz MGFMJOJCIPXOST-CVEARBPZSA-N 1 0 401.511 0.329 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000670984805 1078886015 /nfs/dbraw/zinc/88/60/15/1078886015.db2.gz MGFMJOJCIPXOST-HOTGVXAUSA-N 1 0 401.511 0.329 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000670984806 1078886069 /nfs/dbraw/zinc/88/60/69/1078886069.db2.gz MGFMJOJCIPXOST-HZPDHXFCSA-N 1 0 401.511 0.329 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000670984807 1078886207 /nfs/dbraw/zinc/88/62/07/1078886207.db2.gz MGFMJOJCIPXOST-JKSUJKDBSA-N 1 0 401.511 0.329 20 0 HCADRO C[N@@H+]1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1(C)C ZINC000670984967 1078887100 /nfs/dbraw/zinc/88/71/00/1078887100.db2.gz ASEADPPMBUMVMB-UHFFFAOYSA-N 1 0 410.540 0.672 20 0 HCADRO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985246 1078887163 /nfs/dbraw/zinc/88/71/63/1078887163.db2.gz KQIFKHOYSHFSNG-DOTOQJQBSA-N 1 0 410.540 0.848 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985247 1078887225 /nfs/dbraw/zinc/88/72/25/1078887225.db2.gz KQIFKHOYSHFSNG-NVXWUHKLSA-N 1 0 410.540 0.848 20 0 HCADRO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985253 1078887252 /nfs/dbraw/zinc/88/72/52/1078887252.db2.gz KQIFKHOYSHFSNG-RDJZCZTQSA-N 1 0 410.540 0.848 20 0 HCADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985254 1078887595 /nfs/dbraw/zinc/88/75/95/1078887595.db2.gz KQIFKHOYSHFSNG-WBVHZDCISA-N 1 0 410.540 0.848 20 0 HCADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000670985474 1078887240 /nfs/dbraw/zinc/88/72/40/1078887240.db2.gz WOTNNSVSDSAAAY-GOSISDBHSA-N 1 0 424.567 0.179 20 0 HCADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000670985475 1078887128 /nfs/dbraw/zinc/88/71/28/1078887128.db2.gz WOTNNSVSDSAAAY-SFHVURJKSA-N 1 0 424.567 0.179 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000670985782 1078887063 /nfs/dbraw/zinc/88/70/63/1078887063.db2.gz JGJJSHSLYAXJGC-MOPGFXCFSA-N 1 0 402.543 0.700 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000670985783 1078887198 /nfs/dbraw/zinc/88/71/98/1078887198.db2.gz JGJJSHSLYAXJGC-OALUTQOASA-N 1 0 402.543 0.700 20 0 HCADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000670985784 1078887181 /nfs/dbraw/zinc/88/71/81/1078887181.db2.gz JGJJSHSLYAXJGC-RBUKOAKNSA-N 1 0 402.543 0.700 20 0 HCADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000670985785 1078887085 /nfs/dbraw/zinc/88/70/85/1078887085.db2.gz JGJJSHSLYAXJGC-RTBURBONSA-N 1 0 402.543 0.700 20 0 HCADRO CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000670986650 1078886692 /nfs/dbraw/zinc/88/66/92/1078886692.db2.gz WRDOECJUMREDMF-INIZCTEOSA-N 1 0 420.539 0.753 20 0 HCADRO CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000670986652 1078886619 /nfs/dbraw/zinc/88/66/19/1078886619.db2.gz WRDOECJUMREDMF-MRXNPFEDSA-N 1 0 420.539 0.753 20 0 HCADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986904 1078886675 /nfs/dbraw/zinc/88/66/75/1078886675.db2.gz JPJCUJXOYVQRTB-DOTOQJQBSA-N 1 0 410.540 0.848 20 0 HCADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986905 1078886557 /nfs/dbraw/zinc/88/65/57/1078886557.db2.gz JPJCUJXOYVQRTB-NVXWUHKLSA-N 1 0 410.540 0.848 20 0 HCADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986906 1078886643 /nfs/dbraw/zinc/88/66/43/1078886643.db2.gz JPJCUJXOYVQRTB-RDJZCZTQSA-N 1 0 410.540 0.848 20 0 HCADRO Cn1c2ncn(CC[N@H+](Cc3ccccc3)[C@]3(CO)CCOC3)c2c(=O)n(C)c1=O ZINC000670987820 1078888537 /nfs/dbraw/zinc/88/85/37/1078888537.db2.gz IIUXMDWXADDLMY-NRFANRHFSA-N 1 0 413.478 0.087 20 0 HCADRO Cn1c2ncn(CC[N@H+](Cc3ccccc3)[C@@]3(CO)CCOC3)c2c(=O)n(C)c1=O ZINC000670987821 1078888642 /nfs/dbraw/zinc/88/86/42/1078888642.db2.gz IIUXMDWXADDLMY-OAQYLSRUSA-N 1 0 413.478 0.087 20 0 HCADRO C[N@H+](CCCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C1CCCCC1 ZINC000670988434 1078888513 /nfs/dbraw/zinc/88/85/13/1078888513.db2.gz MHGNGGRVOBMBQY-MRXNPFEDSA-N 1 0 402.561 0.297 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000670988650 1078888615 /nfs/dbraw/zinc/88/86/15/1078888615.db2.gz FWTSYVOWVCEJHT-UHFFFAOYSA-N 1 0 410.559 0.758 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCCN3CCc4ccccc43)C2)CC1 ZINC000670988977 1078888577 /nfs/dbraw/zinc/88/85/77/1078888577.db2.gz HUTOEJHDJIQZPI-IBGZPJMESA-N 1 0 413.566 0.840 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCCN3CCc4ccccc43)C2)CC1 ZINC000670988978 1078888684 /nfs/dbraw/zinc/88/86/84/1078888684.db2.gz HUTOEJHDJIQZPI-LJQANCHMSA-N 1 0 413.566 0.840 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCCN3CCc4ccccc43)CC2)C1 ZINC000670988995 1078890032 /nfs/dbraw/zinc/89/00/32/1078890032.db2.gz MOLHTTBAFNBXPA-FQEVSTJZSA-N 1 0 413.566 0.794 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCN3CCc4ccccc43)CC2)C1 ZINC000670988996 1078889992 /nfs/dbraw/zinc/88/99/92/1078889992.db2.gz MOLHTTBAFNBXPA-HXUWFJFHSA-N 1 0 413.566 0.794 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000670989821 1078888567 /nfs/dbraw/zinc/88/85/67/1078888567.db2.gz KUWMABOTYSSYFZ-FGTMMUONSA-N 1 0 408.543 0.320 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000670989822 1078888601 /nfs/dbraw/zinc/88/86/01/1078888601.db2.gz KUWMABOTYSSYFZ-KSZLIROESA-N 1 0 408.543 0.320 20 0 HCADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000670989823 1078888679 /nfs/dbraw/zinc/88/86/79/1078888679.db2.gz KUWMABOTYSSYFZ-KURKYZTESA-N 1 0 408.543 0.320 20 0 HCADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000670989824 1078888677 /nfs/dbraw/zinc/88/86/77/1078888677.db2.gz KUWMABOTYSSYFZ-KZNAEPCWSA-N 1 0 408.543 0.320 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000670989916 1078888699 /nfs/dbraw/zinc/88/86/99/1078888699.db2.gz WZLBWQPPRJVUNL-IAGOWNOFSA-N 1 0 402.543 0.918 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000670989917 1078888608 /nfs/dbraw/zinc/88/86/08/1078888608.db2.gz WZLBWQPPRJVUNL-IRXDYDNUSA-N 1 0 402.543 0.918 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000670990134 1078890648 /nfs/dbraw/zinc/89/06/48/1078890648.db2.gz NJSHLUQIGJKYSB-CALCHBBNSA-N 1 0 410.559 0.472 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000670990135 1078890517 /nfs/dbraw/zinc/89/05/17/1078890517.db2.gz NJSHLUQIGJKYSB-IAGOWNOFSA-N 1 0 410.559 0.472 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000670990136 1078890502 /nfs/dbraw/zinc/89/05/02/1078890502.db2.gz NJSHLUQIGJKYSB-IRXDYDNUSA-N 1 0 410.559 0.472 20 0 HCADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000670990583 1078890193 /nfs/dbraw/zinc/89/01/93/1078890193.db2.gz CRKKEOFOTDXDGH-NRFANRHFSA-N 1 0 414.550 0.874 20 0 HCADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000670990584 1078890148 /nfs/dbraw/zinc/89/01/48/1078890148.db2.gz CRKKEOFOTDXDGH-OAQYLSRUSA-N 1 0 414.550 0.874 20 0 HCADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000670990619 1078890180 /nfs/dbraw/zinc/89/01/80/1078890180.db2.gz LKYMMLUJTFNBRI-PMACEKPBSA-N 1 0 401.507 0.957 20 0 HCADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000670990620 1078889976 /nfs/dbraw/zinc/88/99/76/1078889976.db2.gz LKYMMLUJTFNBRI-UXHICEINSA-N 1 0 401.507 0.957 20 0 HCADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000670990621 1078890211 /nfs/dbraw/zinc/89/02/11/1078890211.db2.gz LKYMMLUJTFNBRI-VQTJNVASSA-N 1 0 401.507 0.957 20 0 HCADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000670990622 1078890248 /nfs/dbraw/zinc/89/02/48/1078890248.db2.gz LKYMMLUJTFNBRI-WOJBJXKFSA-N 1 0 401.507 0.957 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000670990762 1078889957 /nfs/dbraw/zinc/88/99/57/1078889957.db2.gz RQCKYSIZJJDBGV-UHFFFAOYSA-N 1 0 422.533 0.998 20 0 HCADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC(OCCCO)CC1 ZINC000670990971 1078890554 /nfs/dbraw/zinc/89/05/54/1078890554.db2.gz QWTAMTGPUBYWPT-UHFFFAOYSA-N 1 0 403.523 0.941 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCCOC[C@H]2CCOC2)c2ccccc2)CC1 ZINC000670991681 1078889130 /nfs/dbraw/zinc/88/91/30/1078889130.db2.gz OCTIAQOBNAOBHX-AZUAARDMSA-N 1 0 418.538 0.261 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCCOC[C@H]2CCOC2)c2ccccc2)CC1 ZINC000670991682 1078889086 /nfs/dbraw/zinc/88/90/86/1078889086.db2.gz OCTIAQOBNAOBHX-ICSRJNTNSA-N 1 0 418.538 0.261 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCCOC[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000670991683 1078889176 /nfs/dbraw/zinc/88/91/76/1078889176.db2.gz OCTIAQOBNAOBHX-QUCCMNQESA-N 1 0 418.538 0.261 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCCOC[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000670991684 1078889163 /nfs/dbraw/zinc/88/91/63/1078889163.db2.gz OCTIAQOBNAOBHX-UYAOXDASSA-N 1 0 418.538 0.261 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N(CCO)CC(C)(C)C)c2ccccc2)CC1 ZINC000670991745 1078890603 /nfs/dbraw/zinc/89/06/03/1078890603.db2.gz YFWFWSZUBHRVBF-IBGZPJMESA-N 1 0 404.555 0.958 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N(CCO)CC(C)(C)C)c2ccccc2)CC1 ZINC000670991746 1078890569 /nfs/dbraw/zinc/89/05/69/1078890569.db2.gz YFWFWSZUBHRVBF-LJQANCHMSA-N 1 0 404.555 0.958 20 0 HCADRO COC1(CO)CCN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000670991807 1078889094 /nfs/dbraw/zinc/88/90/94/1078889094.db2.gz DLBKFMAFIMRGLN-IBGZPJMESA-N 1 0 418.538 0.091 20 0 HCADRO COC1(CO)CCN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000670991808 1078889181 /nfs/dbraw/zinc/88/91/81/1078889181.db2.gz DLBKFMAFIMRGLN-LJQANCHMSA-N 1 0 418.538 0.091 20 0 HCADRO COC1(CNC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCOCC1 ZINC000670991821 1078889076 /nfs/dbraw/zinc/88/90/76/1078889076.db2.gz FUVYSCLBHRQMLU-IBGZPJMESA-N 1 0 418.538 0.403 20 0 HCADRO COC1(CNC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCOCC1 ZINC000670991822 1078889123 /nfs/dbraw/zinc/88/91/23/1078889123.db2.gz FUVYSCLBHRQMLU-LJQANCHMSA-N 1 0 418.538 0.403 20 0 HCADRO COc1cccc(CNC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n1 ZINC000670991827 1078889151 /nfs/dbraw/zinc/88/91/51/1078889151.db2.gz FZVWCWGHKGWCAY-IBGZPJMESA-N 1 0 411.506 0.811 20 0 HCADRO COc1cccc(CNC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)n1 ZINC000670991828 1078889115 /nfs/dbraw/zinc/88/91/15/1078889115.db2.gz FZVWCWGHKGWCAY-LJQANCHMSA-N 1 0 411.506 0.811 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CCCC[C@H]2CCO)c2ccccc2)CC1 ZINC000670991910 1078889146 /nfs/dbraw/zinc/88/91/46/1078889146.db2.gz KOZOMSFSUDEEKT-PMACEKPBSA-N 1 0 402.539 0.855 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CCO)c2ccccc2)CC1 ZINC000670991913 1078889102 /nfs/dbraw/zinc/88/91/02/1078889102.db2.gz KOZOMSFSUDEEKT-UXHICEINSA-N 1 0 402.539 0.855 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CCO)c2ccccc2)CC1 ZINC000670991914 1078889035 /nfs/dbraw/zinc/88/90/35/1078889035.db2.gz KOZOMSFSUDEEKT-VQTJNVASSA-N 1 0 402.539 0.855 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CCO)c2ccccc2)CC1 ZINC000670991916 1078889186 /nfs/dbraw/zinc/88/91/86/1078889186.db2.gz KOZOMSFSUDEEKT-WOJBJXKFSA-N 1 0 402.539 0.855 20 0 HCADRO Cc1cn2c(n1)CN(C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CC2 ZINC000670991956 1078891091 /nfs/dbraw/zinc/89/10/91/1078891091.db2.gz JLAWAYXIHSMYOA-IBGZPJMESA-N 1 0 410.522 0.639 20 0 HCADRO Cc1cn2c(n1)CN(C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)CC2 ZINC000670991959 1078891148 /nfs/dbraw/zinc/89/11/48/1078891148.db2.gz JLAWAYXIHSMYOA-LJQANCHMSA-N 1 0 410.522 0.639 20 0 HCADRO CCN(C[C@@H]1CCOC1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000670992103 1078891771 /nfs/dbraw/zinc/89/17/71/1078891771.db2.gz SETOIGGNLKZUFA-AZUAARDMSA-N 1 0 402.539 0.976 20 0 HCADRO CCN(C[C@@H]1CCOC1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000670992104 1078891750 /nfs/dbraw/zinc/89/17/50/1078891750.db2.gz SETOIGGNLKZUFA-ICSRJNTNSA-N 1 0 402.539 0.976 20 0 HCADRO CCN(C[C@H]1CCOC1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000670992105 1078891689 /nfs/dbraw/zinc/89/16/89/1078891689.db2.gz SETOIGGNLKZUFA-QUCCMNQESA-N 1 0 402.539 0.976 20 0 HCADRO CCN(C[C@H]1CCOC1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000670992106 1078891608 /nfs/dbraw/zinc/89/16/08/1078891608.db2.gz SETOIGGNLKZUFA-UYAOXDASSA-N 1 0 402.539 0.976 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)c2ccccc2)CC1 ZINC000670992121 1078891707 /nfs/dbraw/zinc/89/17/07/1078891707.db2.gz VLPKUGYYUADECF-DENIHFKCSA-N 1 0 400.523 0.730 20 0 HCADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CC[C@]3(CCOC3)C2)c2ccccc2)CC1 ZINC000670992122 1078891760 /nfs/dbraw/zinc/89/17/60/1078891760.db2.gz VLPKUGYYUADECF-KNQAVFIVSA-N 1 0 400.523 0.730 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)c2ccccc2)CC1 ZINC000670992123 1078891626 /nfs/dbraw/zinc/89/16/26/1078891626.db2.gz VLPKUGYYUADECF-SIKLNZKXSA-N 1 0 400.523 0.730 20 0 HCADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CC[C@]3(CCOC3)C2)c2ccccc2)CC1 ZINC000670992124 1078891678 /nfs/dbraw/zinc/89/16/78/1078891678.db2.gz VLPKUGYYUADECF-UGKGYDQZSA-N 1 0 400.523 0.730 20 0 HCADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000670993066 1078893448 /nfs/dbraw/zinc/89/34/48/1078893448.db2.gz DODRPPZDMBZSPY-GOSISDBHSA-N 1 0 422.551 0.434 20 0 HCADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000670993067 1078893494 /nfs/dbraw/zinc/89/34/94/1078893494.db2.gz DODRPPZDMBZSPY-SFHVURJKSA-N 1 0 422.551 0.434 20 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ZINC000671019430 1078935457 /nfs/dbraw/zinc/93/54/57/1078935457.db2.gz UFUXIINLEZFVBT-QUCCMNQESA-N 1 0 417.554 0.150 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000671019431 1078935620 /nfs/dbraw/zinc/93/56/20/1078935620.db2.gz UFUXIINLEZFVBT-UYAOXDASSA-N 1 0 417.554 0.150 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000671019434 1078935385 /nfs/dbraw/zinc/93/53/85/1078935385.db2.gz VUXVGKGANXFZLE-JOCHJYFZSA-N 1 0 400.523 0.954 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000671019435 1078935544 /nfs/dbraw/zinc/93/55/44/1078935544.db2.gz VUXVGKGANXFZLE-QFIPXVFZSA-N 1 0 400.523 0.954 20 0 HCADRO C[C@H]1COCCCN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000671019507 1078934779 /nfs/dbraw/zinc/93/47/79/1078934779.db2.gz ILIHRWHLQUQOLO-IBGZPJMESA-N 1 0 402.539 0.948 20 0 HCADRO C[C@@H]1COCCCN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000671019508 1078934630 /nfs/dbraw/zinc/93/46/30/1078934630.db2.gz ILIHRWHLQUQOLO-LJQANCHMSA-N 1 0 402.539 0.948 20 0 HCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1CCCOC1 ZINC000671019513 1078934719 /nfs/dbraw/zinc/93/47/19/1078934719.db2.gz IUEWPWPZERNKIE-FQEVSTJZSA-N 1 0 402.539 0.853 20 0 HCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1CCCOC1 ZINC000671019514 1078934820 /nfs/dbraw/zinc/93/48/20/1078934820.db2.gz IUEWPWPZERNKIE-HXUWFJFHSA-N 1 0 402.539 0.853 20 0 HCADRO Cc1cc(CNC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000671019533 1078934483 /nfs/dbraw/zinc/93/44/83/1078934483.db2.gz NMSZGYYYOHVXCZ-UHFFFAOYSA-N 1 0 410.522 0.725 20 0 HCADRO COC[C@@H]1CCCN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000671019549 1078934420 /nfs/dbraw/zinc/93/44/20/1078934420.db2.gz OYXWMDIFCCVQFZ-FQEVSTJZSA-N 1 0 402.539 0.948 20 0 HCADRO COC[C@H]1CCCN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000671019550 1078934330 /nfs/dbraw/zinc/93/43/30/1078934330.db2.gz OYXWMDIFCCVQFZ-HXUWFJFHSA-N 1 0 402.539 0.948 20 0 HCADRO CCN(CC(C)(C)O)C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000671019567 1078934898 /nfs/dbraw/zinc/93/48/98/1078934898.db2.gz RUIBAPBZRCRRMU-UHFFFAOYSA-N 1 0 404.555 0.930 20 0 HCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000671019570 1078934749 /nfs/dbraw/zinc/93/47/49/1078934749.db2.gz SNEHSLDCUOSEPD-HSZRJFAPSA-N 1 0 414.550 0.950 20 0 HCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000671019571 1078934458 /nfs/dbraw/zinc/93/44/58/1078934458.db2.gz SNEHSLDCUOSEPD-QHCPKHFHSA-N 1 0 414.550 0.950 20 0 HCADRO Cc1cn2c(n1)CN(C(=O)C(=O)NCCCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000671019575 1078934598 /nfs/dbraw/zinc/93/45/98/1078934598.db2.gz UVTRIFVDGRZENQ-UHFFFAOYSA-N 1 0 424.549 0.858 20 0 HCADRO Cc1nccc(CNC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000671019584 1078934945 /nfs/dbraw/zinc/93/49/45/1078934945.db2.gz YVDNJEWPGVYLEP-UHFFFAOYSA-N 1 0 410.522 0.725 20 0 HCADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000671019623 1078934523 /nfs/dbraw/zinc/93/45/23/1078934523.db2.gz JKRYTFLGRSXMFU-GOSISDBHSA-N 1 0 415.538 0.048 20 0 HCADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000671019624 1078935414 /nfs/dbraw/zinc/93/54/14/1078935414.db2.gz JKRYTFLGRSXMFU-SFHVURJKSA-N 1 0 415.538 0.048 20 0 HCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCc2c[nH]nc2C1 ZINC000671019651 1078934114 /nfs/dbraw/zinc/93/41/14/1078934114.db2.gz NVSWWPXTAWEZHG-UHFFFAOYSA-N 1 0 410.522 0.619 20 0 HCADRO Cc1cn2c(n1)CN(C(=O)C(=O)NCCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000671019664 1078934160 /nfs/dbraw/zinc/93/41/60/1078934160.db2.gz PQHHMJARQXOHBK-UHFFFAOYSA-N 1 0 410.522 0.862 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000671019665 1078934172 /nfs/dbraw/zinc/93/41/72/1078934172.db2.gz PTOKHOOWUDABOS-RTBURBONSA-N 1 0 413.522 0.052 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000671019982 1078937927 /nfs/dbraw/zinc/93/79/27/1078937927.db2.gz XQCZUNNMECPXLV-INIZCTEOSA-N 1 0 408.524 0.298 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000671019983 1078938033 /nfs/dbraw/zinc/93/80/33/1078938033.db2.gz XQCZUNNMECPXLV-MRXNPFEDSA-N 1 0 408.524 0.298 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000671020031 1078938086 /nfs/dbraw/zinc/93/80/86/1078938086.db2.gz ODMGDFZFRWXMQK-UHFFFAOYSA-N 1 0 408.524 0.298 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000671020037 1078937989 /nfs/dbraw/zinc/93/79/89/1078937989.db2.gz OQLXFRNKBRDNLU-INIZCTEOSA-N 1 0 408.524 0.298 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000671020038 1078938047 /nfs/dbraw/zinc/93/80/47/1078938047.db2.gz OQLXFRNKBRDNLU-MRXNPFEDSA-N 1 0 408.524 0.298 20 0 HCADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000671020145 1078939736 /nfs/dbraw/zinc/93/97/36/1078939736.db2.gz JGFOFBOJQFFJIR-SJORKVTESA-N 1 0 422.551 0.685 20 0 HCADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000671021269 1078941485 /nfs/dbraw/zinc/94/14/85/1078941485.db2.gz VUFMICHAABRZEC-RHSMWYFYSA-N 1 0 402.495 0.732 20 0 HCADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000671021270 1078941530 /nfs/dbraw/zinc/94/15/30/1078941530.db2.gz VUFMICHAABRZEC-WMLDXEAASA-N 1 0 402.495 0.732 20 0 HCADRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000671021271 1078941811 /nfs/dbraw/zinc/94/18/11/1078941811.db2.gz VUFMICHAABRZEC-YOEHRIQHSA-N 1 0 402.495 0.732 20 0 HCADRO CC[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000671030533 1078962774 /nfs/dbraw/zinc/96/27/74/1078962774.db2.gz HFJPRAQGONJSDJ-DOTOQJQBSA-N 1 0 404.511 0.931 20 0 HCADRO CC[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000671030534 1078962909 /nfs/dbraw/zinc/96/29/09/1078962909.db2.gz HFJPRAQGONJSDJ-NVXWUHKLSA-N 1 0 404.511 0.931 20 0 HCADRO CC[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000671030535 1078963373 /nfs/dbraw/zinc/96/33/73/1078963373.db2.gz HFJPRAQGONJSDJ-RDJZCZTQSA-N 1 0 404.511 0.931 20 0 HCADRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000671030536 1078963516 /nfs/dbraw/zinc/96/35/16/1078963516.db2.gz HFJPRAQGONJSDJ-WBVHZDCISA-N 1 0 404.511 0.931 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000671031767 1078963402 /nfs/dbraw/zinc/96/34/02/1078963402.db2.gz GJBRNCANMYYRNO-UHFFFAOYSA-N 1 0 410.559 0.616 20 0 HCADRO CCN1C[C@@H](CN(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)Oc2ccccc21 ZINC000671031859 1078962593 /nfs/dbraw/zinc/96/25/93/1078962593.db2.gz DGFONUORMOUVSS-GOSISDBHSA-N 1 0 418.538 0.961 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000671031902 1078964332 /nfs/dbraw/zinc/96/43/32/1078964332.db2.gz NHUDGRXVGGOGSA-INIZCTEOSA-N 1 0 410.465 0.888 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000671031903 1078964512 /nfs/dbraw/zinc/96/45/12/1078964512.db2.gz NHUDGRXVGGOGSA-MRXNPFEDSA-N 1 0 410.465 0.888 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000671032080 1078967923 /nfs/dbraw/zinc/96/79/23/1078967923.db2.gz NJWRVXCBQWCZGG-INIZCTEOSA-N 1 0 400.483 0.673 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000671032081 1078967638 /nfs/dbraw/zinc/96/76/38/1078967638.db2.gz NJWRVXCBQWCZGG-MRXNPFEDSA-N 1 0 400.483 0.673 20 0 HCADRO Cc1ccc(CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)c(N2CCCC2)n1 ZINC000671032095 1078967524 /nfs/dbraw/zinc/96/75/24/1078967524.db2.gz QGEVYAJYZLGGGN-UHFFFAOYSA-N 1 0 403.527 0.835 20 0 HCADRO COc1ccccc1N1CC[C@H](CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032197 1078967685 /nfs/dbraw/zinc/96/76/85/1078967685.db2.gz DZTYMXKZQQJZGK-GOSISDBHSA-N 1 0 418.538 0.866 20 0 HCADRO COc1ccccc1N1CC[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032198 1078967022 /nfs/dbraw/zinc/96/70/22/1078967022.db2.gz DZTYMXKZQQJZGK-SFHVURJKSA-N 1 0 418.538 0.866 20 0 HCADRO CC(C)c1ccnc(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)n1 ZINC000671032232 1078966533 /nfs/dbraw/zinc/96/65/33/1078966533.db2.gz NUHYSNPTRYIRRS-UHFFFAOYSA-N 1 0 418.542 0.477 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000671032254 1078966993 /nfs/dbraw/zinc/96/69/93/1078966993.db2.gz RNGYUOGFKHKUJP-JOCHJYFZSA-N 1 0 401.507 0.916 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000671032255 1078966642 /nfs/dbraw/zinc/96/66/42/1078966642.db2.gz RNGYUOGFKHKUJP-QFIPXVFZSA-N 1 0 401.507 0.916 20 0 HCADRO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000671032283 1078966655 /nfs/dbraw/zinc/96/66/55/1078966655.db2.gz BVEOUAGGQUYHMV-IBGZPJMESA-N 1 0 402.539 0.948 20 0 HCADRO O=C(CC1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1)NC1CCCC1 ZINC000671032314 1078966607 /nfs/dbraw/zinc/96/66/07/1078966607.db2.gz SESQYMYKRVTTKB-UHFFFAOYSA-N 1 0 422.570 0.903 20 0 HCADRO COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)CCC2 ZINC000671032333 1078966735 /nfs/dbraw/zinc/96/67/35/1078966735.db2.gz ZVXCNZSEVBCIPB-KRWDZBQOSA-N 1 0 407.515 0.252 20 0 HCADRO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)CCC2 ZINC000671032334 1078966811 /nfs/dbraw/zinc/96/68/11/1078966811.db2.gz ZVXCNZSEVBCIPB-QGZVFWFLSA-N 1 0 407.515 0.252 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000671032443 1078966591 /nfs/dbraw/zinc/96/65/91/1078966591.db2.gz PFPJYPPRBIESEI-HNNXBMFYSA-N 1 0 409.918 0.659 20 0 HCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000671032445 1078966711 /nfs/dbraw/zinc/96/67/11/1078966711.db2.gz PFPJYPPRBIESEI-OAHLLOKOSA-N 1 0 409.918 0.659 20 0 HCADRO COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000671032936 1078966190 /nfs/dbraw/zinc/96/61/90/1078966190.db2.gz GOCVJHHACGPEAN-KRWDZBQOSA-N 1 0 404.511 0.779 20 0 HCADRO COc1cccc2c1OCC[C@H]2NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000671032938 1078966053 /nfs/dbraw/zinc/96/60/53/1078966053.db2.gz GOCVJHHACGPEAN-QGZVFWFLSA-N 1 0 404.511 0.779 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC1 ZINC000671032976 1078967396 /nfs/dbraw/zinc/96/73/96/1078967396.db2.gz WODPGFPZRNXHDV-UHFFFAOYSA-N 1 0 422.501 0.495 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)NCCN2CCCc3ccccc32)CC1 ZINC000671032979 1078967987 /nfs/dbraw/zinc/96/79/87/1078967987.db2.gz WZFZBKHDSNIJPT-UHFFFAOYSA-N 1 0 401.555 0.699 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000671033044 1078967569 /nfs/dbraw/zinc/96/75/69/1078967569.db2.gz UCPPWDCGIQZTIN-KRWDZBQOSA-N 1 0 410.559 0.758 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000671033045 1078967893 /nfs/dbraw/zinc/96/78/93/1078967893.db2.gz UCPPWDCGIQZTIN-QGZVFWFLSA-N 1 0 410.559 0.758 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000671033219 1078971810 /nfs/dbraw/zinc/97/18/10/1078971810.db2.gz UOXGNBZJCFSHMT-KRWDZBQOSA-N 1 0 423.508 0.804 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000671033220 1078970040 /nfs/dbraw/zinc/97/00/40/1078970040.db2.gz UOXGNBZJCFSHMT-QGZVFWFLSA-N 1 0 423.508 0.804 20 0 HCADRO Cc1ccc(CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)c(N2CCCC2)n1 ZINC000671033255 1078970434 /nfs/dbraw/zinc/97/04/34/1078970434.db2.gz BPJMDGXGHAVSQT-UHFFFAOYSA-N 1 0 416.570 0.750 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000671033276 1078971032 /nfs/dbraw/zinc/97/10/32/1078971032.db2.gz HBRPQSINLHUSMI-UHFFFAOYSA-N 1 0 401.511 0.006 20 0 HCADRO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000671033277 1078971312 /nfs/dbraw/zinc/97/13/12/1078971312.db2.gz HHBFGXGVVJHCTM-GOSISDBHSA-N 1 0 404.511 0.779 20 0 HCADRO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000671033278 1078971003 /nfs/dbraw/zinc/97/10/03/1078971003.db2.gz HHBFGXGVVJHCTM-SFHVURJKSA-N 1 0 404.511 0.779 20 0 HCADRO COc1ccc(CN(C)C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)c(OC)c1 ZINC000671033299 1078971359 /nfs/dbraw/zinc/97/13/59/1078971359.db2.gz MPFVSWAHURFEBD-UHFFFAOYSA-N 1 0 406.527 0.806 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000671033321 1078971246 /nfs/dbraw/zinc/97/12/46/1078971246.db2.gz SJXGZAMZNJDREQ-HSZRJFAPSA-N 1 0 414.550 0.831 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)CC1 ZINC000671033322 1078971155 /nfs/dbraw/zinc/97/11/55/1078971155.db2.gz SJXGZAMZNJDREQ-QHCPKHFHSA-N 1 0 414.550 0.831 20 0 HCADRO COc1ccc(CN(C)C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)cc1OC ZINC000671033334 1078971075 /nfs/dbraw/zinc/97/10/75/1078971075.db2.gz VFLNMPCYWBHYHA-UHFFFAOYSA-N 1 0 406.527 0.806 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCCN(c3ccccc3)CC2)CC1 ZINC000671033345 1078971215 /nfs/dbraw/zinc/97/12/15/1078971215.db2.gz YJQNKHKZZYDQQC-UHFFFAOYSA-N 1 0 401.555 0.869 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000671033428 1078970089 /nfs/dbraw/zinc/97/00/89/1078970089.db2.gz MMMKIBIDCGVYIK-INIZCTEOSA-N 1 0 404.515 0.366 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000671033429 1078970602 /nfs/dbraw/zinc/97/06/02/1078970602.db2.gz MMMKIBIDCGVYIK-MRXNPFEDSA-N 1 0 404.515 0.366 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000671033509 1078970118 /nfs/dbraw/zinc/97/01/18/1078970118.db2.gz CBPNWDNTLSZZTI-UHFFFAOYSA-N 1 0 407.584 0.536 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000671033574 1078970166 /nfs/dbraw/zinc/97/01/66/1078970166.db2.gz HABRLWUEENCHCG-FQEVSTJZSA-N 1 0 412.538 0.884 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000671033576 1078970307 /nfs/dbraw/zinc/97/03/07/1078970307.db2.gz HABRLWUEENCHCG-HXUWFJFHSA-N 1 0 412.538 0.884 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000671033693 1078967444 /nfs/dbraw/zinc/96/74/44/1078967444.db2.gz AUEAKNLBAQKEDG-KRWDZBQOSA-N 1 0 419.501 0.191 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000671033694 1078967601 /nfs/dbraw/zinc/96/76/01/1078967601.db2.gz AUEAKNLBAQKEDG-QGZVFWFLSA-N 1 0 419.501 0.191 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671033704 1078967324 /nfs/dbraw/zinc/96/73/24/1078967324.db2.gz DYBZWYXWXBMCDX-GOSISDBHSA-N 1 0 407.559 0.038 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671033705 1078967836 /nfs/dbraw/zinc/96/78/36/1078967836.db2.gz DYBZWYXWXBMCDX-SFHVURJKSA-N 1 0 407.559 0.038 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)NC2CCN(c3cccs3)CC2)CC1 ZINC000671033716 1078967722 /nfs/dbraw/zinc/96/77/22/1078967722.db2.gz HQZOXMSFGOOUTI-UHFFFAOYSA-N 1 0 407.584 0.977 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000671033717 1078967356 /nfs/dbraw/zinc/96/73/56/1078967356.db2.gz IKJPNSGRSMBOLL-IBGZPJMESA-N 1 0 406.502 0.949 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000671033718 1078967953 /nfs/dbraw/zinc/96/79/53/1078967953.db2.gz IKJPNSGRSMBOLL-LJQANCHMSA-N 1 0 406.502 0.949 20 0 HCADRO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000671033721 1078968421 /nfs/dbraw/zinc/96/84/21/1078968421.db2.gz KASSQSHEHRTQGS-FQEVSTJZSA-N 1 0 415.582 0.863 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)C2 ZINC000671033760 1078964114 /nfs/dbraw/zinc/96/41/14/1078964114.db2.gz WKNGCJDXOOVIIA-KRWDZBQOSA-N 1 0 404.511 0.259 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)C2 ZINC000671033761 1078964407 /nfs/dbraw/zinc/96/44/07/1078964407.db2.gz WKNGCJDXOOVIIA-QGZVFWFLSA-N 1 0 404.511 0.259 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000671033769 1078964293 /nfs/dbraw/zinc/96/42/93/1078964293.db2.gz ZLNXZVKHQTUVOU-UHFFFAOYSA-N 1 0 401.555 0.475 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000671034211 1078969657 /nfs/dbraw/zinc/96/96/57/1078969657.db2.gz JAZOBNWMQIVQHR-KRWDZBQOSA-N 1 0 410.559 0.616 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000671034213 1078969068 /nfs/dbraw/zinc/96/90/68/1078969068.db2.gz JAZOBNWMQIVQHR-QGZVFWFLSA-N 1 0 410.559 0.616 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC000671034442 1078969441 /nfs/dbraw/zinc/96/94/41/1078969441.db2.gz LOHGOUZRVGMBMQ-GOSISDBHSA-N 1 0 404.559 0.790 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000671034448 1078969415 /nfs/dbraw/zinc/96/94/15/1078969415.db2.gz LOHGOUZRVGMBMQ-SFHVURJKSA-N 1 0 404.559 0.790 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC1 ZINC000671034631 1078968197 /nfs/dbraw/zinc/96/81/97/1078968197.db2.gz XXNSKWRHTNGYJE-UHFFFAOYSA-N 1 0 416.570 0.701 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000671034645 1078968482 /nfs/dbraw/zinc/96/84/82/1078968482.db2.gz BBMFPENNLFNPIV-UHFFFAOYSA-N 1 0 421.611 0.926 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000671034655 1078968263 /nfs/dbraw/zinc/96/82/63/1078968263.db2.gz CARXSNCUBXNUEO-UHFFFAOYSA-N 1 0 415.582 0.865 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2COc3c(cccc3OC)C2)CC1 ZINC000671034674 1078968237 /nfs/dbraw/zinc/96/82/37/1078968237.db2.gz HWLFFRIYFYIQOJ-GOSISDBHSA-N 1 0 418.538 0.649 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000671034675 1078968626 /nfs/dbraw/zinc/96/86/26/1078968626.db2.gz HWLFFRIYFYIQOJ-SFHVURJKSA-N 1 0 418.538 0.649 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671034713 1078972030 /nfs/dbraw/zinc/97/20/30/1078972030.db2.gz PMCSJHJVTMUYGM-IBGZPJMESA-N 1 0 421.586 0.428 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671034714 1078972060 /nfs/dbraw/zinc/97/20/60/1078972060.db2.gz PMCSJHJVTMUYGM-LJQANCHMSA-N 1 0 421.586 0.428 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000671034769 1078972100 /nfs/dbraw/zinc/97/21/00/1078972100.db2.gz FMHKUPAQWFOKRM-GOSISDBHSA-N 1 0 402.543 0.310 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000671034770 1078972325 /nfs/dbraw/zinc/97/23/25/1078972325.db2.gz FMHKUPAQWFOKRM-SFHVURJKSA-N 1 0 402.543 0.310 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NCc2c(C)cc(C)nc2OC)CC1 ZINC000671034779 1078972504 /nfs/dbraw/zinc/97/25/04/1078972504.db2.gz HWUXZUVZDFSULV-UHFFFAOYSA-N 1 0 405.543 0.857 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671034787 1078972362 /nfs/dbraw/zinc/97/23/62/1078972362.db2.gz KSRCCYDQSIXDJM-UHFFFAOYSA-N 1 0 401.555 0.652 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000671034807 1078968579 /nfs/dbraw/zinc/96/85/79/1078968579.db2.gz NSJFDJNJYMOGJS-FQEVSTJZSA-N 1 0 401.555 0.823 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000671034808 1078968503 /nfs/dbraw/zinc/96/85/03/1078968503.db2.gz NSJFDJNJYMOGJS-HXUWFJFHSA-N 1 0 401.555 0.823 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000671034813 1078968605 /nfs/dbraw/zinc/96/86/05/1078968605.db2.gz OOPGWEXODFIJGL-CABCVRRESA-N 1 0 408.465 0.699 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000671034814 1078968538 /nfs/dbraw/zinc/96/85/38/1078968538.db2.gz OOPGWEXODFIJGL-GJZGRUSLSA-N 1 0 408.465 0.699 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC000671034815 1078968394 /nfs/dbraw/zinc/96/83/94/1078968394.db2.gz OOPGWEXODFIJGL-HUUCEWRRSA-N 1 0 408.465 0.699 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000671034816 1078968519 /nfs/dbraw/zinc/96/85/19/1078968519.db2.gz OOPGWEXODFIJGL-LSDHHAIUSA-N 1 0 408.465 0.699 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000671034830 1078972128 /nfs/dbraw/zinc/97/21/28/1078972128.db2.gz QCLIRJBCWMNXKU-UHFFFAOYSA-N 1 0 415.538 0.396 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]2c2cn(C)nc2C)CC1 ZINC000671034849 1078971891 /nfs/dbraw/zinc/97/18/91/1078971891.db2.gz UAHAALZCTARJNW-IBGZPJMESA-N 1 0 404.559 0.926 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000671034850 1078971878 /nfs/dbraw/zinc/97/18/78/1078971878.db2.gz UAHAALZCTARJNW-LJQANCHMSA-N 1 0 404.559 0.926 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC000671034853 1078971955 /nfs/dbraw/zinc/97/19/55/1078971955.db2.gz URQGYLCVJYILEW-UHFFFAOYSA-N 1 0 424.590 0.173 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000671035434 1078972697 /nfs/dbraw/zinc/97/26/97/1078972697.db2.gz KLRKGBGDVORDEC-HDICACEKSA-N 1 0 424.586 0.862 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000671035436 1078972439 /nfs/dbraw/zinc/97/24/39/1078972439.db2.gz KLRKGBGDVORDEC-QZTJIDSGSA-N 1 0 424.586 0.862 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000671035438 1078972464 /nfs/dbraw/zinc/97/24/64/1078972464.db2.gz KLRKGBGDVORDEC-ROUUACIJSA-N 1 0 424.586 0.862 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCc2c(F)cccc2F)CC1 ZINC000671035801 1078972543 /nfs/dbraw/zinc/97/25/43/1078972543.db2.gz MPLAWUBJDXSIDN-UHFFFAOYSA-N 1 0 410.465 0.636 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NCc2ccc3c(c2)OCCCO3)CC1 ZINC000671036314 1078973737 /nfs/dbraw/zinc/97/37/37/1078973737.db2.gz DKFPSJPUBXWQBV-UHFFFAOYSA-N 1 0 418.538 0.998 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NCc2nn(C)c3ccccc23)CC1 ZINC000671036315 1078973602 /nfs/dbraw/zinc/97/36/02/1078973602.db2.gz DKIOFGSOLMWGCE-UHFFFAOYSA-N 1 0 400.527 0.723 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000671036358 1078973907 /nfs/dbraw/zinc/97/39/07/1078973907.db2.gz RDGGTNVCKJUYLX-GOSISDBHSA-N 1 0 419.574 0.039 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000671036359 1078973706 /nfs/dbraw/zinc/97/37/06/1078973706.db2.gz RDGGTNVCKJUYLX-SFHVURJKSA-N 1 0 419.574 0.039 20 0 HCADRO COc1cccc(CCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1OC ZINC000671037125 1078973813 /nfs/dbraw/zinc/97/38/13/1078973813.db2.gz HSOSXKMTIWGHFF-KRWDZBQOSA-N 1 0 418.538 0.647 20 0 HCADRO COc1cccc(CCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1OC ZINC000671037127 1078973653 /nfs/dbraw/zinc/97/36/53/1078973653.db2.gz HSOSXKMTIWGHFF-QGZVFWFLSA-N 1 0 418.538 0.647 20 0 HCADRO COc1cccc(CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1OC ZINC000671037159 1078973581 /nfs/dbraw/zinc/97/35/81/1078973581.db2.gz PAJVWWXRMVPTPR-GOSISDBHSA-N 1 0 418.538 0.601 20 0 HCADRO COc1cccc(CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1OC ZINC000671037160 1078973798 /nfs/dbraw/zinc/97/37/98/1078973798.db2.gz PAJVWWXRMVPTPR-SFHVURJKSA-N 1 0 418.538 0.601 20 0 HCADRO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671038705 1078974644 /nfs/dbraw/zinc/97/46/44/1078974644.db2.gz DGUYCUHCTWXKHA-PMACEKPBSA-N 1 0 400.523 0.777 20 0 HCADRO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671038706 1078974600 /nfs/dbraw/zinc/97/46/00/1078974600.db2.gz DGUYCUHCTWXKHA-UXHICEINSA-N 1 0 400.523 0.777 20 0 HCADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671038707 1078974430 /nfs/dbraw/zinc/97/44/30/1078974430.db2.gz DGUYCUHCTWXKHA-VQTJNVASSA-N 1 0 400.523 0.777 20 0 HCADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671038708 1078974683 /nfs/dbraw/zinc/97/46/83/1078974683.db2.gz DGUYCUHCTWXKHA-WOJBJXKFSA-N 1 0 400.523 0.777 20 0 HCADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671038959 1078976328 /nfs/dbraw/zinc/97/63/28/1078976328.db2.gz PRWBDIYUPZQJOW-HSALFYBXSA-N 1 0 400.523 0.919 20 0 HCADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671038960 1078976226 /nfs/dbraw/zinc/97/62/26/1078976226.db2.gz PRWBDIYUPZQJOW-SLFFLAALSA-N 1 0 400.523 0.919 20 0 HCADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671038961 1078976341 /nfs/dbraw/zinc/97/63/41/1078976341.db2.gz PRWBDIYUPZQJOW-VAMGGRTRSA-N 1 0 400.523 0.919 20 0 HCADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671038962 1078976903 /nfs/dbraw/zinc/97/69/03/1078976903.db2.gz PRWBDIYUPZQJOW-XUVXKRRUSA-N 1 0 400.523 0.919 20 0 HCADRO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671039308 1078976843 /nfs/dbraw/zinc/97/68/43/1078976843.db2.gz RWNKMGOTWKNINA-NRFANRHFSA-N 1 0 423.517 0.920 20 0 HCADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671039309 1078976724 /nfs/dbraw/zinc/97/67/24/1078976724.db2.gz RWNKMGOTWKNINA-OAQYLSRUSA-N 1 0 423.517 0.920 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000671039374 1078978622 /nfs/dbraw/zinc/97/86/22/1078978622.db2.gz AYTKKFDEMZMUIO-AZUAARDMSA-N 1 0 402.539 0.976 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000671039375 1078978353 /nfs/dbraw/zinc/97/83/53/1078978353.db2.gz AYTKKFDEMZMUIO-ICSRJNTNSA-N 1 0 402.539 0.976 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000671039376 1078979071 /nfs/dbraw/zinc/97/90/71/1078979071.db2.gz AYTKKFDEMZMUIO-QUCCMNQESA-N 1 0 402.539 0.976 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000671039377 1078979255 /nfs/dbraw/zinc/97/92/55/1078979255.db2.gz AYTKKFDEMZMUIO-UYAOXDASSA-N 1 0 402.539 0.976 20 0 HCADRO COCCOc1ccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000671039811 1078975689 /nfs/dbraw/zinc/97/56/89/1078975689.db2.gz NHGOMXXKHDFYMO-KRWDZBQOSA-N 1 0 419.526 0.008 20 0 HCADRO COCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000671039812 1078975770 /nfs/dbraw/zinc/97/57/70/1078975770.db2.gz NHGOMXXKHDFYMO-QGZVFWFLSA-N 1 0 419.526 0.008 20 0 HCADRO COCCOc1ncccc1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671040361 1078978002 /nfs/dbraw/zinc/97/80/02/1078978002.db2.gz WAEZQQBLAQHBOX-KRWDZBQOSA-N 1 0 419.526 0.008 20 0 HCADRO COCCOc1ncccc1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671040362 1078978449 /nfs/dbraw/zinc/97/84/49/1078978449.db2.gz WAEZQQBLAQHBOX-QGZVFWFLSA-N 1 0 419.526 0.008 20 0 HCADRO CC(C)Oc1ccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000671041100 1078980862 /nfs/dbraw/zinc/98/08/62/1078980862.db2.gz MRQNWHLYYVVSJN-KRWDZBQOSA-N 1 0 403.527 0.770 20 0 HCADRO CC(C)Oc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000671041102 1078980729 /nfs/dbraw/zinc/98/07/29/1078980729.db2.gz MRQNWHLYYVVSJN-QGZVFWFLSA-N 1 0 403.527 0.770 20 0 HCADRO CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000671041127 1078980095 /nfs/dbraw/zinc/98/00/95/1078980095.db2.gz PWJSRDDUHMABIL-GOSISDBHSA-N 1 0 403.527 0.723 20 0 HCADRO CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000671041128 1078979908 /nfs/dbraw/zinc/97/99/08/1078979908.db2.gz PWJSRDDUHMABIL-SFHVURJKSA-N 1 0 403.527 0.723 20 0 HCADRO CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000671041556 1078979388 /nfs/dbraw/zinc/97/93/88/1078979388.db2.gz FPFVSFSEUYHCSM-KRWDZBQOSA-N 1 0 417.510 0.250 20 0 HCADRO CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000671041558 1078979295 /nfs/dbraw/zinc/97/92/95/1078979295.db2.gz FPFVSFSEUYHCSM-QGZVFWFLSA-N 1 0 417.510 0.250 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671041749 1078980813 /nfs/dbraw/zinc/98/08/13/1078980813.db2.gz FZAHKOBVTFGMLV-KRWDZBQOSA-N 1 0 403.527 0.770 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671041751 1078980580 /nfs/dbraw/zinc/98/05/80/1078980580.db2.gz FZAHKOBVTFGMLV-QGZVFWFLSA-N 1 0 403.527 0.770 20 0 HCADRO CC(C)Oc1ccc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000671041756 1078980433 /nfs/dbraw/zinc/98/04/33/1078980433.db2.gz MOSCYFQGXZMHAZ-KRWDZBQOSA-N 1 0 419.526 0.544 20 0 HCADRO CC(C)Oc1ccc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000671041759 1078980961 /nfs/dbraw/zinc/98/09/61/1078980961.db2.gz MOSCYFQGXZMHAZ-QGZVFWFLSA-N 1 0 419.526 0.544 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2cccnc2OC(C)C)CC1 ZINC000671042050 1078980518 /nfs/dbraw/zinc/98/05/18/1078980518.db2.gz AMGGGRMYBTZMQS-KRWDZBQOSA-N 1 0 405.543 0.875 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCc2cccnc2OC(C)C)CC1 ZINC000671042053 1078980668 /nfs/dbraw/zinc/98/06/68/1078980668.db2.gz AMGGGRMYBTZMQS-QGZVFWFLSA-N 1 0 405.543 0.875 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000671042989 1078981431 /nfs/dbraw/zinc/98/14/31/1078981431.db2.gz JOFJZNUAPSHMJD-UHFFFAOYSA-N 1 0 405.543 0.969 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671043683 1078981956 /nfs/dbraw/zinc/98/19/56/1078981956.db2.gz ZUYVQSSGDGZEHM-GOSISDBHSA-N 1 0 403.527 0.723 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671043684 1078981986 /nfs/dbraw/zinc/98/19/86/1078981986.db2.gz ZUYVQSSGDGZEHM-SFHVURJKSA-N 1 0 403.527 0.723 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000671043812 1078981580 /nfs/dbraw/zinc/98/15/80/1078981580.db2.gz LNHQFQIKJZMVBI-UHFFFAOYSA-N 1 0 417.554 0.971 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000671043816 1078981538 /nfs/dbraw/zinc/98/15/38/1078981538.db2.gz FARYIKZKDDDIHO-HKUYNNGSSA-N 1 0 417.554 0.969 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000671043817 1078981421 /nfs/dbraw/zinc/98/14/21/1078981421.db2.gz FARYIKZKDDDIHO-IEBWSBKVSA-N 1 0 417.554 0.969 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000671043819 1078981473 /nfs/dbraw/zinc/98/14/73/1078981473.db2.gz FARYIKZKDDDIHO-MJGOQNOKSA-N 1 0 417.554 0.969 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000671043825 1078981410 /nfs/dbraw/zinc/98/14/10/1078981410.db2.gz FARYIKZKDDDIHO-PKOBYXMFSA-N 1 0 417.554 0.969 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000671043973 1078982545 /nfs/dbraw/zinc/98/25/45/1078982545.db2.gz MUHFVZOLUGCNMY-KRWDZBQOSA-N 1 0 417.510 0.250 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000671043976 1078982821 /nfs/dbraw/zinc/98/28/21/1078982821.db2.gz MUHFVZOLUGCNMY-QGZVFWFLSA-N 1 0 417.510 0.250 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccnc2OC(C)C)CC1 ZINC000671044571 1078983418 /nfs/dbraw/zinc/98/34/18/1078983418.db2.gz WSGFQFJUVRLTOD-UHFFFAOYSA-N 1 0 419.526 0.498 20 0 HCADRO COCCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1OC ZINC000671044644 1078983386 /nfs/dbraw/zinc/98/33/86/1078983386.db2.gz AKNCNYFTNGLAMK-DOTOQJQBSA-N 1 0 422.526 0.260 20 0 HCADRO COCCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1OC ZINC000671044647 1078983498 /nfs/dbraw/zinc/98/34/98/1078983498.db2.gz AKNCNYFTNGLAMK-WBVHZDCISA-N 1 0 422.526 0.260 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000671044805 1078982882 /nfs/dbraw/zinc/98/28/82/1078982882.db2.gz RVDYIXVDBUHJRY-KRWDZBQOSA-N 1 0 419.526 0.544 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000671044807 1078982624 /nfs/dbraw/zinc/98/26/24/1078982624.db2.gz RVDYIXVDBUHJRY-QGZVFWFLSA-N 1 0 419.526 0.544 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000671045104 1078984093 /nfs/dbraw/zinc/98/40/93/1078984093.db2.gz ATHLOJQYENLNNY-UHFFFAOYSA-N 1 0 419.526 0.544 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000671047115 1078988068 /nfs/dbraw/zinc/98/80/68/1078988068.db2.gz MZCLOHXKGMENCL-UHFFFAOYSA-N 1 0 417.510 0.252 20 0 HCADRO COCCOc1ccc([C@H](C)NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1OC ZINC000671048612 1078989448 /nfs/dbraw/zinc/98/94/48/1078989448.db2.gz SWPUTZPPTCIHSU-DOTOQJQBSA-N 1 0 423.510 0.687 20 0 HCADRO COCCOc1ccc([C@@H](C)NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1OC ZINC000671048613 1078989211 /nfs/dbraw/zinc/98/92/11/1078989211.db2.gz SWPUTZPPTCIHSU-NVXWUHKLSA-N 1 0 423.510 0.687 20 0 HCADRO COCCOc1ccc([C@H](C)NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1OC ZINC000671048614 1078989277 /nfs/dbraw/zinc/98/92/77/1078989277.db2.gz SWPUTZPPTCIHSU-RDJZCZTQSA-N 1 0 423.510 0.687 20 0 HCADRO COCCOc1ccc([C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1OC ZINC000671048615 1078989344 /nfs/dbraw/zinc/98/93/44/1078989344.db2.gz SWPUTZPPTCIHSU-WBVHZDCISA-N 1 0 423.510 0.687 20 0 HCADRO COCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000671050148 1078995425 /nfs/dbraw/zinc/99/54/25/1078995425.db2.gz KNWKAYWCLDXEDM-GOSISDBHSA-N 1 0 418.538 0.613 20 0 HCADRO COCCOc1ccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000671050149 1078995601 /nfs/dbraw/zinc/99/56/01/1078995601.db2.gz KNWKAYWCLDXEDM-SFHVURJKSA-N 1 0 418.538 0.613 20 0 HCADRO COCCOc1ccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000671050205 1078995592 /nfs/dbraw/zinc/99/55/92/1078995592.db2.gz WKJKBVSLIGLWFC-IBGZPJMESA-N 1 0 418.538 0.566 20 0 HCADRO COCCOc1ccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000671050206 1078995669 /nfs/dbraw/zinc/99/56/69/1078995669.db2.gz WKJKBVSLIGLWFC-LJQANCHMSA-N 1 0 418.538 0.566 20 0 HCADRO COCCOc1cccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000671050843 1078994093 /nfs/dbraw/zinc/99/40/93/1078994093.db2.gz GCXLHHMJVPRPOZ-IBGZPJMESA-N 1 0 418.538 0.566 20 0 HCADRO COCCOc1cccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000671050844 1078994644 /nfs/dbraw/zinc/99/46/44/1078994644.db2.gz GCXLHHMJVPRPOZ-LJQANCHMSA-N 1 0 418.538 0.566 20 0 HCADRO COCCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000671050893 1078992394 /nfs/dbraw/zinc/99/23/94/1078992394.db2.gz JWNDCYKQOLOGBY-GOSISDBHSA-N 1 0 418.538 0.613 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000671057990 1079000863 /nfs/dbraw/zinc/00/08/63/1079000863.db2.gz MJHJDSKFPZFUQW-AZUAARDMSA-N 1 0 413.566 0.914 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000671057995 1079000709 /nfs/dbraw/zinc/00/07/09/1079000709.db2.gz MJHJDSKFPZFUQW-ICSRJNTNSA-N 1 0 413.566 0.914 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000671057996 1079000529 /nfs/dbraw/zinc/00/05/29/1079000529.db2.gz MJHJDSKFPZFUQW-QUCCMNQESA-N 1 0 413.566 0.914 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000671057997 1079000757 /nfs/dbraw/zinc/00/07/57/1079000757.db2.gz MJHJDSKFPZFUQW-UYAOXDASSA-N 1 0 413.566 0.914 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000671058335 1079001777 /nfs/dbraw/zinc/00/17/77/1079001777.db2.gz MCJTWXVJKNPTEW-IBGZPJMESA-N 1 0 401.555 0.915 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000671058337 1079001994 /nfs/dbraw/zinc/00/19/94/1079001994.db2.gz MCJTWXVJKNPTEW-LJQANCHMSA-N 1 0 401.555 0.915 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C1 ZINC000671058543 1079001329 /nfs/dbraw/zinc/00/13/29/1079001329.db2.gz BWXOGHWURALCMP-IBGZPJMESA-N 1 0 401.555 0.914 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C1 ZINC000671058545 1079001200 /nfs/dbraw/zinc/00/12/00/1079001200.db2.gz BWXOGHWURALCMP-LJQANCHMSA-N 1 0 401.555 0.914 20 0 HCADRO O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671058557 1079001686 /nfs/dbraw/zinc/00/16/86/1079001686.db2.gz CRAJFUYIWHGEMT-UHFFFAOYSA-N 1 0 422.533 0.669 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000671058828 1079000510 /nfs/dbraw/zinc/00/05/10/1079000510.db2.gz DNSKVSZQPDHZDO-GOSISDBHSA-N 1 0 401.555 0.771 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000671058829 1079000800 /nfs/dbraw/zinc/00/08/00/1079000800.db2.gz DNSKVSZQPDHZDO-SFHVURJKSA-N 1 0 401.555 0.771 20 0 HCADRO C[NH+]1CCC(CCNC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)CC1 ZINC000671058906 1079001224 /nfs/dbraw/zinc/00/12/24/1079001224.db2.gz UWAVACHSFGFWJX-UHFFFAOYSA-N 1 0 401.555 0.773 20 0 HCADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671059028 1079003794 /nfs/dbraw/zinc/00/37/94/1079003794.db2.gz SDILIOQNZVPIOM-IBGZPJMESA-N 1 0 417.529 0.664 20 0 HCADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671059029 1079004127 /nfs/dbraw/zinc/00/41/27/1079004127.db2.gz SDILIOQNZVPIOM-LJQANCHMSA-N 1 0 417.529 0.664 20 0 HCADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671059042 1079003696 /nfs/dbraw/zinc/00/36/96/1079003696.db2.gz ZBZDDFLTHAAGLJ-AZUAARDMSA-N 1 0 417.529 0.807 20 0 HCADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671059043 1079004034 /nfs/dbraw/zinc/00/40/34/1079004034.db2.gz ZBZDDFLTHAAGLJ-ICSRJNTNSA-N 1 0 417.529 0.807 20 0 HCADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671059044 1079004059 /nfs/dbraw/zinc/00/40/59/1079004059.db2.gz ZBZDDFLTHAAGLJ-QUCCMNQESA-N 1 0 417.529 0.807 20 0 HCADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671059045 1079003666 /nfs/dbraw/zinc/00/36/66/1079003666.db2.gz ZBZDDFLTHAAGLJ-UYAOXDASSA-N 1 0 417.529 0.807 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)C1CC[NH+](C)CC1 ZINC000671059073 1079002860 /nfs/dbraw/zinc/00/28/60/1079002860.db2.gz FGOUCPIUPFZCSB-KRWDZBQOSA-N 1 0 419.545 0.910 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)C1CC[NH+](C)CC1 ZINC000671059074 1079002788 /nfs/dbraw/zinc/00/27/88/1079002788.db2.gz FGOUCPIUPFZCSB-QGZVFWFLSA-N 1 0 419.545 0.910 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCNC(=O)C[C@H]3C)CC2)c1 ZINC000671059504 1079002276 /nfs/dbraw/zinc/00/22/76/1079002276.db2.gz AKHJZSQJCBDCRB-GOSISDBHSA-N 1 0 415.538 0.360 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCNC(=O)C[C@@H]3C)CC2)c1 ZINC000671059506 1079002568 /nfs/dbraw/zinc/00/25/68/1079002568.db2.gz AKHJZSQJCBDCRB-SFHVURJKSA-N 1 0 415.538 0.360 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCc4c[nH]nc4C3)CC2)c1 ZINC000671059604 1079002429 /nfs/dbraw/zinc/00/24/29/1079002429.db2.gz MNWNXRDAWUOLQW-UHFFFAOYSA-N 1 0 410.522 0.931 20 0 HCADRO CC(=O)NCCCNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000671059616 1079002521 /nfs/dbraw/zinc/00/25/21/1079002521.db2.gz OXTAUJNHKQNWFN-UHFFFAOYSA-N 1 0 403.527 0.266 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N(C)C[C@H](O)C3CC3)CC2)c1 ZINC000671059713 1079002336 /nfs/dbraw/zinc/00/23/36/1079002336.db2.gz DJZRNJUNQKASBQ-FQEVSTJZSA-N 1 0 402.539 0.853 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N(C)C[C@@H](O)C3CC3)CC2)c1 ZINC000671059714 1079002212 /nfs/dbraw/zinc/00/22/12/1079002212.db2.gz DJZRNJUNQKASBQ-HXUWFJFHSA-N 1 0 402.539 0.853 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N3CC[C@H](CO)C3)CC2)c1 ZINC000671060038 1079003381 /nfs/dbraw/zinc/00/33/81/1079003381.db2.gz IPCVKJRXBSKPAY-IBGZPJMESA-N 1 0 402.539 0.854 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N3CC[C@@H](CO)C3)CC2)c1 ZINC000671060039 1079003290 /nfs/dbraw/zinc/00/32/90/1079003290.db2.gz IPCVKJRXBSKPAY-LJQANCHMSA-N 1 0 402.539 0.854 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000671060317 1079005069 /nfs/dbraw/zinc/00/50/69/1079005069.db2.gz CEZIOTDDNFVLEQ-UHFFFAOYSA-N 1 0 421.586 0.428 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000671060392 1079004108 /nfs/dbraw/zinc/00/41/08/1079004108.db2.gz ILAAKADVMLEYJJ-KRWDZBQOSA-N 1 0 423.945 0.386 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000671060394 1079003944 /nfs/dbraw/zinc/00/39/44/1079003944.db2.gz ILAAKADVMLEYJJ-QGZVFWFLSA-N 1 0 423.945 0.386 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000671060415 1079003869 /nfs/dbraw/zinc/00/38/69/1079003869.db2.gz MKKXDPGBZGEQNM-IBGZPJMESA-N 1 0 415.538 0.046 20 0 HCADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000671060417 1079003995 /nfs/dbraw/zinc/00/39/95/1079003995.db2.gz MKKXDPGBZGEQNM-LJQANCHMSA-N 1 0 415.538 0.046 20 0 HCADRO CC[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccccc1OCC(=O)NC ZINC000671061422 1079007122 /nfs/dbraw/zinc/00/71/22/1079007122.db2.gz FIXDHVDWYKPMAC-DOTOQJQBSA-N 1 0 404.511 0.931 20 0 HCADRO CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccccc1OCC(=O)NC ZINC000671061423 1079007038 /nfs/dbraw/zinc/00/70/38/1079007038.db2.gz FIXDHVDWYKPMAC-NVXWUHKLSA-N 1 0 404.511 0.931 20 0 HCADRO CC[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccccc1OCC(=O)NC ZINC000671061427 1079006908 /nfs/dbraw/zinc/00/69/08/1079006908.db2.gz FIXDHVDWYKPMAC-RDJZCZTQSA-N 1 0 404.511 0.931 20 0 HCADRO CC[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccccc1OCC(=O)NC ZINC000671061428 1079007112 /nfs/dbraw/zinc/00/71/12/1079007112.db2.gz FIXDHVDWYKPMAC-WBVHZDCISA-N 1 0 404.511 0.931 20 0 HCADRO CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1OCC(=O)NC ZINC000671061768 1079006643 /nfs/dbraw/zinc/00/66/43/1079006643.db2.gz GGEBYUCELKJWSV-INMHGKMJSA-N 1 0 404.511 0.978 20 0 HCADRO CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1OCC(=O)NC ZINC000671061770 1079006502 /nfs/dbraw/zinc/00/65/02/1079006502.db2.gz GGEBYUCELKJWSV-UXLLHSPISA-N 1 0 404.511 0.978 20 0 HCADRO CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1OCC(=O)NC ZINC000671061773 1079006603 /nfs/dbraw/zinc/00/66/03/1079006603.db2.gz GGEBYUCELKJWSV-VYDXJSESSA-N 1 0 404.511 0.978 20 0 HCADRO CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1OCC(=O)NC ZINC000671061776 1079006695 /nfs/dbraw/zinc/00/66/95/1079006695.db2.gz GGEBYUCELKJWSV-ZOBUZTSGSA-N 1 0 404.511 0.978 20 0 HCADRO CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1OCC(=O)NC ZINC000671061970 1079006129 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HCADRO C[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(-n2cncn2)cc1 ZINC000671071861 1079020923 /nfs/dbraw/zinc/02/09/23/1079020923.db2.gz QZKQROAMTJBCNW-KUHUBIRLSA-N 1 0 402.524 0.998 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(-n2cncn2)cc1 ZINC000671071862 1079020843 /nfs/dbraw/zinc/02/08/43/1079020843.db2.gz QZKQROAMTJBCNW-LIRRHRJNSA-N 1 0 402.524 0.998 20 0 HCADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)CCSC1 ZINC000671071918 1079020827 /nfs/dbraw/zinc/02/08/27/1079020827.db2.gz SIPPILROJDYDQU-IBGZPJMESA-N 1 0 406.556 0.484 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)CCSC1 ZINC000671071922 1079020703 /nfs/dbraw/zinc/02/07/03/1079020703.db2.gz SIPPILROJDYDQU-LJQANCHMSA-N 1 0 406.556 0.484 20 0 HCADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CCSC1 ZINC000671072057 1079021947 /nfs/dbraw/zinc/02/19/47/1079021947.db2.gz ZMSLNPRFYUBOFX-JLTOFOAXSA-N 1 0 419.551 0.034 20 0 HCADRO 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Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000671074141 1079023881 /nfs/dbraw/zinc/02/38/81/1079023881.db2.gz VYJYCLVXOPDTGK-UHFFFAOYSA-N 1 0 404.559 0.670 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000671074396 1079023339 /nfs/dbraw/zinc/02/33/39/1079023339.db2.gz ASGSRJPLYZMRMU-GOSISDBHSA-N 1 0 410.522 0.773 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000671074397 1079023581 /nfs/dbraw/zinc/02/35/81/1079023581.db2.gz ASGSRJPLYZMRMU-SFHVURJKSA-N 1 0 410.522 0.773 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3ccc(-n4cccn4)cc3)CC2)C1 ZINC000671074470 1079023931 /nfs/dbraw/zinc/02/39/31/1079023931.db2.gz VOXUYPJPHVVBAD-FQEVSTJZSA-N 1 0 410.522 0.727 20 0 HCADRO COc1ccc(O[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000671075341 1079024985 /nfs/dbraw/zinc/02/49/85/1079024985.db2.gz CLYTVBBPPIRZKC-DLBZAZTESA-N 1 0 418.538 0.863 20 0 HCADRO COc1ccc(O[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000671075344 1079024712 /nfs/dbraw/zinc/02/47/12/1079024712.db2.gz CLYTVBBPPIRZKC-IAGOWNOFSA-N 1 0 418.538 0.863 20 0 HCADRO COc1ccc(O[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000671075346 1079025017 /nfs/dbraw/zinc/02/50/17/1079025017.db2.gz CLYTVBBPPIRZKC-IRXDYDNUSA-N 1 0 418.538 0.863 20 0 HCADRO COc1ccc(O[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000671075348 1079024906 /nfs/dbraw/zinc/02/49/06/1079024906.db2.gz CLYTVBBPPIRZKC-SJORKVTESA-N 1 0 418.538 0.863 20 0 HCADRO COc1ccc(O[C@@H](C)CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000671075444 1079024262 /nfs/dbraw/zinc/02/42/62/1079024262.db2.gz KZJOLMYOJPTNSF-KRWDZBQOSA-N 1 0 406.527 0.675 20 0 HCADRO COc1ccc(O[C@H](C)CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000671075445 1079024332 /nfs/dbraw/zinc/02/43/32/1079024332.db2.gz KZJOLMYOJPTNSF-QGZVFWFLSA-N 1 0 406.527 0.675 20 0 HCADRO 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CN(C(=O)C(=O)NCCc1cn2c(n1)CCCC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671126273 1079061282 /nfs/dbraw/zinc/06/12/82/1079061282.db2.gz LLBRIKLPBJUAEX-IBGZPJMESA-N 1 0 416.570 0.505 20 0 HCADRO CN(C(=O)C(=O)NCCc1cn2c(n1)CCCC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671126274 1079061268 /nfs/dbraw/zinc/06/12/68/1079061268.db2.gz LLBRIKLPBJUAEX-LJQANCHMSA-N 1 0 416.570 0.505 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCc3cn4c(n3)CCCC4)CC2)C1 ZINC000671126310 1079061299 /nfs/dbraw/zinc/06/12/99/1079061299.db2.gz YFPKYZXUDTZWPN-GOSISDBHSA-N 1 0 402.543 0.117 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCc3cn4c(n3)CCCC4)CC2)C1 ZINC000671126311 1079061112 /nfs/dbraw/zinc/06/11/12/1079061112.db2.gz YFPKYZXUDTZWPN-SFHVURJKSA-N 1 0 402.543 0.117 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCc3cn4c(n3)CCCC4)C2)CC1 ZINC000671126314 1079061206 /nfs/dbraw/zinc/06/12/06/1079061206.db2.gz YMAHKACMFYPJLD-KRWDZBQOSA-N 1 0 402.543 0.163 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCc3cn4c(n3)CCCC4)C2)CC1 ZINC000671126315 1079061698 /nfs/dbraw/zinc/06/16/98/1079061698.db2.gz YMAHKACMFYPJLD-QGZVFWFLSA-N 1 0 402.543 0.163 20 0 HCADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000671126655 1079061092 /nfs/dbraw/zinc/06/10/92/1079061092.db2.gz ZLPIWEHYVYJUEZ-UHFFFAOYSA-N 1 0 405.543 0.884 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000671133725 1079063938 /nfs/dbraw/zinc/06/39/38/1079063938.db2.gz IIGZHBYEWARDLY-INIZCTEOSA-N 1 0 402.561 0.251 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000671133726 1079063994 /nfs/dbraw/zinc/06/39/94/1079063994.db2.gz IIGZHBYEWARDLY-MRXNPFEDSA-N 1 0 402.561 0.251 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000671133849 1079065514 /nfs/dbraw/zinc/06/55/14/1079065514.db2.gz RSXZWTLSSPOICN-GOSISDBHSA-N 1 0 424.567 0.507 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000671133850 1079065471 /nfs/dbraw/zinc/06/54/71/1079065471.db2.gz RSXZWTLSSPOICN-SFHVURJKSA-N 1 0 424.567 0.507 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000671133961 1079065205 /nfs/dbraw/zinc/06/52/05/1079065205.db2.gz UJZQQARSVWOMBH-CVEARBPZSA-N 1 0 416.588 0.543 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000671133962 1079065164 /nfs/dbraw/zinc/06/51/64/1079065164.db2.gz UJZQQARSVWOMBH-HOTGVXAUSA-N 1 0 416.588 0.543 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000671133963 1079065095 /nfs/dbraw/zinc/06/50/95/1079065095.db2.gz UJZQQARSVWOMBH-HZPDHXFCSA-N 1 0 416.588 0.543 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000671133964 1079065074 /nfs/dbraw/zinc/06/50/74/1079065074.db2.gz UJZQQARSVWOMBH-JKSUJKDBSA-N 1 0 416.588 0.543 20 0 HCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000671134058 1079065416 /nfs/dbraw/zinc/06/54/16/1079065416.db2.gz RCZDVPPMQNTFMM-UHFFFAOYSA-N 1 0 404.577 0.355 20 0 HCADRO CN(CCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000671134098 1079067051 /nfs/dbraw/zinc/06/70/51/1079067051.db2.gz BISJMGCNRUMELZ-AWEZNQCLSA-N 1 0 407.481 0.272 20 0 HCADRO CN(CCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000671134099 1079067000 /nfs/dbraw/zinc/06/70/00/1079067000.db2.gz BISJMGCNRUMELZ-CQSZACIVSA-N 1 0 407.481 0.272 20 0 HCADRO CN(CCCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000671134136 1079066870 /nfs/dbraw/zinc/06/68/70/1079066870.db2.gz KWKCSQAIFIZNFF-INIZCTEOSA-N 1 0 421.508 0.614 20 0 HCADRO CN(CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000671134137 1079067020 /nfs/dbraw/zinc/06/70/20/1079067020.db2.gz KWKCSQAIFIZNFF-MRXNPFEDSA-N 1 0 421.508 0.614 20 0 HCADRO CN(CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)CC(F)(F)F ZINC000671134153 1079067034 /nfs/dbraw/zinc/06/70/34/1079067034.db2.gz RJKXGERARRMFOL-HNNXBMFYSA-N 1 0 407.481 0.225 20 0 HCADRO CN(CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)CC(F)(F)F ZINC000671134154 1079067042 /nfs/dbraw/zinc/06/70/42/1079067042.db2.gz RJKXGERARRMFOL-OAHLLOKOSA-N 1 0 407.481 0.225 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000671134395 1079066460 /nfs/dbraw/zinc/06/64/60/1079066460.db2.gz FLTGURAPYHTVCQ-UHFFFAOYSA-N 1 0 422.501 0.585 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000671134592 1079066003 /nfs/dbraw/zinc/06/60/03/1079066003.db2.gz RFWPWZXOXMHTRJ-UHFFFAOYSA-N 1 0 403.321 0.831 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2nccc(C(C)C)n2)CC1 ZINC000671134649 1079065982 /nfs/dbraw/zinc/06/59/82/1079065982.db2.gz GZSROOOBFDXRNU-UHFFFAOYSA-N 1 0 406.531 0.333 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000671134734 1079065904 /nfs/dbraw/zinc/06/59/04/1079065904.db2.gz YNKQFSLXGWTIBW-UHFFFAOYSA-N 1 0 424.929 0.595 20 0 HCADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@H](CO)C1 ZINC000671139179 1079071451 /nfs/dbraw/zinc/07/14/51/1079071451.db2.gz WIAYHGOWYCMMFA-FQEVSTJZSA-N 1 0 402.539 0.541 20 0 HCADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@@H](CO)C1 ZINC000671139180 1079071403 /nfs/dbraw/zinc/07/14/03/1079071403.db2.gz WIAYHGOWYCMMFA-HXUWFJFHSA-N 1 0 402.539 0.541 20 0 HCADRO COc1ccc(C)cc1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000671141085 1079073224 /nfs/dbraw/zinc/07/32/24/1079073224.db2.gz JOIYOWDWSZDOCU-UHFFFAOYSA-N 1 0 402.495 0.386 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cc(C)ccc2OC)CC1 ZINC000671141550 1079074056 /nfs/dbraw/zinc/07/40/56/1079074056.db2.gz HANAMFNJJZQLSW-UHFFFAOYSA-N 1 0 404.511 0.632 20 0 HCADRO COc1ccc(C)cc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000671142259 1079075575 /nfs/dbraw/zinc/07/55/75/1079075575.db2.gz RGVHGZXAYWRFAX-KRWDZBQOSA-N 1 0 402.495 0.385 20 0 HCADRO COc1ccc(C)cc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000671142265 1079075611 /nfs/dbraw/zinc/07/56/11/1079075611.db2.gz RGVHGZXAYWRFAX-QGZVFWFLSA-N 1 0 402.495 0.385 20 0 HCADRO COc1ccc(C)cc1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000671142840 1079074090 /nfs/dbraw/zinc/07/40/90/1079074090.db2.gz VULFTBMWAKXHLH-KRWDZBQOSA-N 1 0 404.511 0.679 20 0 HCADRO COc1ccc(C)cc1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000671142841 1079074004 /nfs/dbraw/zinc/07/40/04/1079074004.db2.gz VULFTBMWAKXHLH-QGZVFWFLSA-N 1 0 404.511 0.679 20 0 HCADRO COc1ccc(C)cc1CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000671143034 1079075198 /nfs/dbraw/zinc/07/51/98/1079075198.db2.gz VZOWWIFWYXSKOZ-UHFFFAOYSA-N 1 0 404.511 0.679 20 0 HCADRO CN(C(=O)C(=O)N[C@H]1CCCc2c1cnn2C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671144756 1079076606 /nfs/dbraw/zinc/07/66/06/1079076606.db2.gz DEGBSRGCMJQEFR-AEFFLSMTSA-N 1 0 402.543 0.541 20 0 HCADRO CN(C(=O)C(=O)N[C@@H]1CCCc2c1cnn2C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671144759 1079076371 /nfs/dbraw/zinc/07/63/71/1079076371.db2.gz DEGBSRGCMJQEFR-FUHWJXTLSA-N 1 0 402.543 0.541 20 0 HCADRO CN(C(=O)C(=O)N[C@@H]1CCCc2c1cnn2C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671144760 1079076549 /nfs/dbraw/zinc/07/65/49/1079076549.db2.gz DEGBSRGCMJQEFR-SJLPKXTDSA-N 1 0 402.543 0.541 20 0 HCADRO CN(C(=O)C(=O)N[C@H]1CCCc2c1cnn2C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671144761 1079076427 /nfs/dbraw/zinc/07/64/27/1079076427.db2.gz DEGBSRGCMJQEFR-WMZOPIPTSA-N 1 0 402.543 0.541 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CCCc4c3cnn4C)CC2)CC1 ZINC000671144979 1079075662 /nfs/dbraw/zinc/07/56/62/1079075662.db2.gz AOBNEDBWYQHWTJ-IBGZPJMESA-N 1 0 416.570 0.931 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CCCc4c3cnn4C)CC2)CC1 ZINC000671144980 1079075629 /nfs/dbraw/zinc/07/56/29/1079075629.db2.gz AOBNEDBWYQHWTJ-LJQANCHMSA-N 1 0 416.570 0.931 20 0 HCADRO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000671145310 1079076499 /nfs/dbraw/zinc/07/64/99/1079076499.db2.gz CNHMHDNSOOTYLS-QXAKKESOSA-N 1 0 403.527 0.798 20 0 HCADRO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000671145311 1079076582 /nfs/dbraw/zinc/07/65/82/1079076582.db2.gz CNHMHDNSOOTYLS-UHOSZYNNSA-N 1 0 403.527 0.798 20 0 HCADRO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000671145312 1079076975 /nfs/dbraw/zinc/07/69/75/1079076975.db2.gz CNHMHDNSOOTYLS-WDSOQIARSA-N 1 0 403.527 0.798 20 0 HCADRO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000671145313 1079076915 /nfs/dbraw/zinc/07/69/15/1079076915.db2.gz CNHMHDNSOOTYLS-YTQUADARSA-N 1 0 403.527 0.798 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000671149297 1079078321 /nfs/dbraw/zinc/07/83/21/1079078321.db2.gz OJSCYZVNVTUIRL-GOSISDBHSA-N 1 0 424.611 0.787 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000671149300 1079078749 /nfs/dbraw/zinc/07/87/49/1079078749.db2.gz OJSCYZVNVTUIRL-SFHVURJKSA-N 1 0 424.611 0.787 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000671149339 1079078632 /nfs/dbraw/zinc/07/86/32/1079078632.db2.gz UCCJUVAIJFJVGK-DLBZAZTESA-N 1 0 411.568 0.871 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000671149341 1079078696 /nfs/dbraw/zinc/07/86/96/1079078696.db2.gz UCCJUVAIJFJVGK-IRXDYDNUSA-N 1 0 411.568 0.871 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000671149342 1079078738 /nfs/dbraw/zinc/07/87/38/1079078738.db2.gz UCCJUVAIJFJVGK-SJORKVTESA-N 1 0 411.568 0.871 20 0 HCADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCC(OCCCO)CC1 ZINC000671149475 1079078334 /nfs/dbraw/zinc/07/83/34/1079078334.db2.gz QVSXIKLICOHHST-UHFFFAOYSA-N 1 0 413.584 0.854 20 0 HCADRO Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000671149567 1079078369 /nfs/dbraw/zinc/07/83/69/1079078369.db2.gz RYZSTYOWZJUHEO-HNNXBMFYSA-N 1 0 406.556 0.956 20 0 HCADRO Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000671149571 1079078276 /nfs/dbraw/zinc/07/82/76/1079078276.db2.gz RYZSTYOWZJUHEO-OAHLLOKOSA-N 1 0 406.556 0.956 20 0 HCADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671159133 1079084227 /nfs/dbraw/zinc/08/42/27/1079084227.db2.gz MPJZZPZVLGAANM-GOSISDBHSA-N 1 0 404.559 0.323 20 0 HCADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671159134 1079084249 /nfs/dbraw/zinc/08/42/49/1079084249.db2.gz MPJZZPZVLGAANM-SFHVURJKSA-N 1 0 404.559 0.323 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000671170479 1079091862 /nfs/dbraw/zinc/09/18/62/1079091862.db2.gz YLEKDAIKOHFRIX-HNNXBMFYSA-N 1 0 410.540 0.200 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000671170480 1079091974 /nfs/dbraw/zinc/09/19/74/1079091974.db2.gz YLEKDAIKOHFRIX-OAHLLOKOSA-N 1 0 410.540 0.200 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1CN1CCOCC1)C[NH+]1CCCC1 ZINC000671170499 1079091988 /nfs/dbraw/zinc/09/19/88/1079091988.db2.gz CYZDPNZQKCFASH-GOSISDBHSA-N 1 0 402.539 0.983 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1CN1CCOCC1)C[NH+]1CCCC1 ZINC000671170500 1079091931 /nfs/dbraw/zinc/09/19/31/1079091931.db2.gz CYZDPNZQKCFASH-SFHVURJKSA-N 1 0 402.539 0.983 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)C[NH+]1CCCC1 ZINC000671170657 1079089638 /nfs/dbraw/zinc/08/96/38/1079089638.db2.gz WSRBFIHANWAYTG-INIZCTEOSA-N 1 0 422.551 0.691 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)C[NH+]1CCCC1 ZINC000671170658 1079089453 /nfs/dbraw/zinc/08/94/53/1079089453.db2.gz WSRBFIHANWAYTG-MRXNPFEDSA-N 1 0 422.551 0.691 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)C[NH+]1CCCC1 ZINC000671170702 1079089582 /nfs/dbraw/zinc/08/95/82/1079089582.db2.gz FEEAHCFQUQVILJ-HNNXBMFYSA-N 1 0 410.540 0.547 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)C[NH+]1CCCC1 ZINC000671170703 1079089439 /nfs/dbraw/zinc/08/94/39/1079089439.db2.gz FEEAHCFQUQVILJ-OAHLLOKOSA-N 1 0 410.540 0.547 20 0 HCADRO COc1cccc(N2C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2=O)c1 ZINC000671170760 1079089465 /nfs/dbraw/zinc/08/94/65/1079089465.db2.gz WXCLIOGZDIVNBB-HOTGVXAUSA-N 1 0 402.495 0.765 20 0 HCADRO COc1cccc(N2C[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2=O)c1 ZINC000671170761 1079089546 /nfs/dbraw/zinc/08/95/46/1079089546.db2.gz WXCLIOGZDIVNBB-HZPDHXFCSA-N 1 0 402.495 0.765 20 0 HCADRO COc1cccc(N2C[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2=O)c1 ZINC000671170762 1079089627 /nfs/dbraw/zinc/08/96/27/1079089627.db2.gz WXCLIOGZDIVNBB-JKSUJKDBSA-N 1 0 402.495 0.765 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C)C[NH+]1CCCC1 ZINC000671170909 1079089162 /nfs/dbraw/zinc/08/91/62/1079089162.db2.gz UWMWJAPDNBQEIA-HNNXBMFYSA-N 1 0 410.540 0.401 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C)C[NH+]1CCCC1 ZINC000671170914 1079089105 /nfs/dbraw/zinc/08/91/05/1079089105.db2.gz UWMWJAPDNBQEIA-OAHLLOKOSA-N 1 0 410.540 0.401 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCCC1 ZINC000671170957 1079089230 /nfs/dbraw/zinc/08/92/30/1079089230.db2.gz RBXLFFVZUAKMRF-CVEARBPZSA-N 1 0 401.511 0.329 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCCC1 ZINC000671170958 1079089204 /nfs/dbraw/zinc/08/92/04/1079089204.db2.gz RBXLFFVZUAKMRF-HOTGVXAUSA-N 1 0 401.511 0.329 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCCC1 ZINC000671170959 1079089238 /nfs/dbraw/zinc/08/92/38/1079089238.db2.gz RBXLFFVZUAKMRF-HZPDHXFCSA-N 1 0 401.511 0.329 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCCC1 ZINC000671170960 1079089208 /nfs/dbraw/zinc/08/92/08/1079089208.db2.gz RBXLFFVZUAKMRF-JKSUJKDBSA-N 1 0 401.511 0.329 20 0 HCADRO COc1ccc2[nH]cc(CCNC(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)c2c1 ZINC000671171353 1079091439 /nfs/dbraw/zinc/09/14/39/1079091439.db2.gz GOMAZSVNHRJHOJ-INIZCTEOSA-N 1 0 415.538 0.835 20 0 HCADRO COc1ccc2[nH]cc(CCNC(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)c2c1 ZINC000671171354 1079091419 /nfs/dbraw/zinc/09/14/19/1079091419.db2.gz GOMAZSVNHRJHOJ-MRXNPFEDSA-N 1 0 415.538 0.835 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000671171408 1079091137 /nfs/dbraw/zinc/09/11/37/1079091137.db2.gz OJRHFLJCDVAIHW-AZUAARDMSA-N 1 0 402.539 0.976 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000671171409 1079091332 /nfs/dbraw/zinc/09/13/32/1079091332.db2.gz OJRHFLJCDVAIHW-ICSRJNTNSA-N 1 0 402.539 0.976 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCCO[C@H](c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000671171410 1079091397 /nfs/dbraw/zinc/09/13/97/1079091397.db2.gz OJRHFLJCDVAIHW-QUCCMNQESA-N 1 0 402.539 0.976 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000671171411 1079091100 /nfs/dbraw/zinc/09/11/00/1079091100.db2.gz OJRHFLJCDVAIHW-UYAOXDASSA-N 1 0 402.539 0.976 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)C[NH+]1CCN(C)CC1 ZINC000671171412 1079091081 /nfs/dbraw/zinc/09/10/81/1079091081.db2.gz PGSKRAOUTHVSKY-DOTOQJQBSA-N 1 0 423.508 0.659 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)C[NH+]1CCN(C)CC1 ZINC000671171413 1079091191 /nfs/dbraw/zinc/09/11/91/1079091191.db2.gz PGSKRAOUTHVSKY-NVXWUHKLSA-N 1 0 423.508 0.659 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)C[NH+]1CCN(C)CC1 ZINC000671171414 1079091219 /nfs/dbraw/zinc/09/12/19/1079091219.db2.gz PGSKRAOUTHVSKY-RDJZCZTQSA-N 1 0 423.508 0.659 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)C[NH+]1CCN(C)CC1 ZINC000671171415 1079091068 /nfs/dbraw/zinc/09/10/68/1079091068.db2.gz PGSKRAOUTHVSKY-WBVHZDCISA-N 1 0 423.508 0.659 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1N1CCCC1)C[NH+]1CCN(C)CC1 ZINC000671171427 1079091054 /nfs/dbraw/zinc/09/10/54/1079091054.db2.gz QLEUYCAEFYAHPX-GOSISDBHSA-N 1 0 401.555 0.903 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1N1CCCC1)C[NH+]1CCN(C)CC1 ZINC000671171428 1079091918 /nfs/dbraw/zinc/09/19/18/1079091918.db2.gz QLEUYCAEFYAHPX-SFHVURJKSA-N 1 0 401.555 0.903 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCCN1CCCc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000671171511 1079090612 /nfs/dbraw/zinc/09/06/12/1079090612.db2.gz DCIWOWVFPKKUFG-GOSISDBHSA-N 1 0 401.555 0.555 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCCN1CCCc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000671171512 1079090544 /nfs/dbraw/zinc/09/05/44/1079090544.db2.gz DCIWOWVFPKKUFG-SFHVURJKSA-N 1 0 401.555 0.555 20 0 HCADRO COc1cccc2c1OCC[C@H]2NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000671171569 1079090736 /nfs/dbraw/zinc/09/07/36/1079090736.db2.gz NRTYSFRFEYXCAG-DOTOQJQBSA-N 1 0 404.511 0.635 20 0 HCADRO COc1cccc2c1OCC[C@H]2NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000671171570 1079090780 /nfs/dbraw/zinc/09/07/80/1079090780.db2.gz NRTYSFRFEYXCAG-NVXWUHKLSA-N 1 0 404.511 0.635 20 0 HCADRO COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000671171571 1079090517 /nfs/dbraw/zinc/09/05/17/1079090517.db2.gz NRTYSFRFEYXCAG-RDJZCZTQSA-N 1 0 404.511 0.635 20 0 HCADRO COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000671171572 1079090573 /nfs/dbraw/zinc/09/05/73/1079090573.db2.gz NRTYSFRFEYXCAG-WBVHZDCISA-N 1 0 404.511 0.635 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000671171591 1079090650 /nfs/dbraw/zinc/09/06/50/1079090650.db2.gz QWATZBAREAUBDX-MSOLQXFVSA-N 1 0 419.545 0.863 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000671171592 1079090560 /nfs/dbraw/zinc/09/05/60/1079090560.db2.gz QWATZBAREAUBDX-QZTJIDSGSA-N 1 0 419.545 0.863 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000671171593 1079091278 /nfs/dbraw/zinc/09/12/78/1079091278.db2.gz QWATZBAREAUBDX-ROUUACIJSA-N 1 0 419.545 0.863 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000671171594 1079091162 /nfs/dbraw/zinc/09/11/62/1079091162.db2.gz QWATZBAREAUBDX-ZWKOTPCHSA-N 1 0 419.545 0.863 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000671171607 1079091356 /nfs/dbraw/zinc/09/13/56/1079091356.db2.gz SZEJQZBCGHFGGI-HKUYNNGSSA-N 1 0 406.527 0.787 20 0 HCADRO C[C@H](CNC(=O)C(=O)N(Cc1ccco1)C[C@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000671171608 1079091042 /nfs/dbraw/zinc/09/10/42/1079091042.db2.gz SZEJQZBCGHFGGI-IEBWSBKVSA-N 1 0 406.527 0.787 20 0 HCADRO C[C@H](CNC(=O)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000671171609 1079091305 /nfs/dbraw/zinc/09/13/05/1079091305.db2.gz SZEJQZBCGHFGGI-MJGOQNOKSA-N 1 0 406.527 0.787 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N(Cc1ccco1)C[C@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000671171610 1079091252 /nfs/dbraw/zinc/09/12/52/1079091252.db2.gz SZEJQZBCGHFGGI-PKOBYXMFSA-N 1 0 406.527 0.787 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1cn2cc(Cl)ccc2n1)C[NH+]1CCN(C)CC1 ZINC000671171665 1079090629 /nfs/dbraw/zinc/09/06/29/1079090629.db2.gz FECWIOZXRSNASK-AWEZNQCLSA-N 1 0 406.918 0.604 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1cn2cc(Cl)ccc2n1)C[NH+]1CCN(C)CC1 ZINC000671171666 1079090532 /nfs/dbraw/zinc/09/05/32/1079090532.db2.gz FECWIOZXRSNASK-CQSZACIVSA-N 1 0 406.918 0.604 20 0 HCADRO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000671171755 1079090714 /nfs/dbraw/zinc/09/07/14/1079090714.db2.gz DBZKEKZRLRUUBV-CRAIPNDOSA-N 1 0 404.511 0.635 20 0 HCADRO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000671171756 1079090841 /nfs/dbraw/zinc/09/08/41/1079090841.db2.gz DBZKEKZRLRUUBV-MAUKXSAKSA-N 1 0 404.511 0.635 20 0 HCADRO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000671171757 1079090589 /nfs/dbraw/zinc/09/05/89/1079090589.db2.gz DBZKEKZRLRUUBV-QAPCUYQASA-N 1 0 404.511 0.635 20 0 HCADRO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000671171758 1079090694 /nfs/dbraw/zinc/09/06/94/1079090694.db2.gz DBZKEKZRLRUUBV-YJBOKZPZSA-N 1 0 404.511 0.635 20 0 HCADRO Cc1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(N2CCCC2)n1 ZINC000671171808 1079090108 /nfs/dbraw/zinc/09/01/08/1079090108.db2.gz LYIXVZADQWNHTM-KRWDZBQOSA-N 1 0 416.570 0.606 20 0 HCADRO Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(N2CCCC2)n1 ZINC000671171809 1079090013 /nfs/dbraw/zinc/09/00/13/1079090013.db2.gz LYIXVZADQWNHTM-QGZVFWFLSA-N 1 0 416.570 0.606 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ncc(-c2ccccc2)cn1)C[NH+]1CCN(C)CC1 ZINC000671171816 1079090135 /nfs/dbraw/zinc/09/01/35/1079090135.db2.gz MUQKZBGYTXMUPB-KRWDZBQOSA-N 1 0 410.522 0.760 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ncc(-c2ccccc2)cn1)C[NH+]1CCN(C)CC1 ZINC000671171817 1079089939 /nfs/dbraw/zinc/08/99/39/1079089939.db2.gz MUQKZBGYTXMUPB-QGZVFWFLSA-N 1 0 410.522 0.760 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1cn(C)nc1C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000671171892 1079090166 /nfs/dbraw/zinc/09/01/66/1079090166.db2.gz CHAKUWQEXFMRSO-GFCCVEGCSA-N 1 0 404.437 0.055 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1cn(C)nc1C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000671171893 1079090063 /nfs/dbraw/zinc/09/00/63/1079090063.db2.gz CHAKUWQEXFMRSO-LBPRGKRZSA-N 1 0 404.437 0.055 20 0 HCADRO COc1ccc(OC)c([C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000671171916 1079090807 /nfs/dbraw/zinc/09/08/07/1079090807.db2.gz IFLVQKMVKDZNMZ-CVEARBPZSA-N 1 0 406.527 0.881 20 0 HCADRO COc1ccc(OC)c([C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000671171917 1079090668 /nfs/dbraw/zinc/09/06/68/1079090668.db2.gz IFLVQKMVKDZNMZ-HOTGVXAUSA-N 1 0 406.527 0.881 20 0 HCADRO COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000671171918 1079090760 /nfs/dbraw/zinc/09/07/60/1079090760.db2.gz IFLVQKMVKDZNMZ-HZPDHXFCSA-N 1 0 406.527 0.881 20 0 HCADRO COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000671171919 1079090490 /nfs/dbraw/zinc/09/04/90/1079090490.db2.gz IFLVQKMVKDZNMZ-JKSUJKDBSA-N 1 0 406.527 0.881 20 0 HCADRO COc1ccc(CN(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(OC)c1 ZINC000671171991 1079090119 /nfs/dbraw/zinc/09/01/19/1079090119.db2.gz WSYQVUCZTJIDCY-INIZCTEOSA-N 1 0 406.527 0.662 20 0 HCADRO COc1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(OC)c1 ZINC000671171992 1079090186 /nfs/dbraw/zinc/09/01/86/1079090186.db2.gz WSYQVUCZTJIDCY-MRXNPFEDSA-N 1 0 406.527 0.662 20 0 HCADRO COc1ccc(CN(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1OC ZINC000671172032 1079090033 /nfs/dbraw/zinc/09/00/33/1079090033.db2.gz GJFDBMZZKMBZMT-INIZCTEOSA-N 1 0 406.527 0.662 20 0 HCADRO COc1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1OC ZINC000671172033 1079090098 /nfs/dbraw/zinc/09/00/98/1079090098.db2.gz GJFDBMZZKMBZMT-MRXNPFEDSA-N 1 0 406.527 0.662 20 0 HCADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(-n2cncn2)cc1 ZINC000671172123 1079093390 /nfs/dbraw/zinc/09/33/90/1079093390.db2.gz UYVIIEUHAYUERY-DLBZAZTESA-N 1 0 413.526 0.444 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)C[NH+]1CCN(C)CC1 ZINC000671172124 1079093372 /nfs/dbraw/zinc/09/33/72/1079093372.db2.gz UYVIIEUHAYUERY-IAGOWNOFSA-N 1 0 413.526 0.444 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)C[NH+]1CCN(C)CC1 ZINC000671172125 1079093536 /nfs/dbraw/zinc/09/35/36/1079093536.db2.gz UYVIIEUHAYUERY-IRXDYDNUSA-N 1 0 413.526 0.444 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)C[NH+]1CCN(C)CC1 ZINC000671172126 1079093569 /nfs/dbraw/zinc/09/35/69/1079093569.db2.gz UYVIIEUHAYUERY-SJORKVTESA-N 1 0 413.526 0.444 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000671172207 1079093956 /nfs/dbraw/zinc/09/39/56/1079093956.db2.gz FGYVRTQRQORSHO-IBGZPJMESA-N 1 0 401.555 0.331 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000671172208 1079094014 /nfs/dbraw/zinc/09/40/14/1079094014.db2.gz FGYVRTQRQORSHO-LJQANCHMSA-N 1 0 401.555 0.331 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000671172211 1079093999 /nfs/dbraw/zinc/09/39/99/1079093999.db2.gz KOKULKJUNIDVET-PMACEKPBSA-N 1 0 415.582 0.719 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000671172212 1079092693 /nfs/dbraw/zinc/09/26/93/1079092693.db2.gz KOKULKJUNIDVET-UXHICEINSA-N 1 0 415.582 0.719 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C2 ZINC000671172223 1079092781 /nfs/dbraw/zinc/09/27/81/1079092781.db2.gz MKDZNDSPJPTLCZ-DOTOQJQBSA-N 1 0 404.511 0.115 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C2 ZINC000671172224 1079092907 /nfs/dbraw/zinc/09/29/07/1079092907.db2.gz MKDZNDSPJPTLCZ-NVXWUHKLSA-N 1 0 404.511 0.115 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C2 ZINC000671172226 1079092931 /nfs/dbraw/zinc/09/29/31/1079092931.db2.gz MKDZNDSPJPTLCZ-RDJZCZTQSA-N 1 0 404.511 0.115 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C2 ZINC000671172227 1079092759 /nfs/dbraw/zinc/09/27/59/1079092759.db2.gz MKDZNDSPJPTLCZ-WBVHZDCISA-N 1 0 404.511 0.115 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NC1CCN(c2cccs2)CC1)C[NH+]1CCN(C)CC1 ZINC000671172293 1079093025 /nfs/dbraw/zinc/09/30/25/1079093025.db2.gz JDGGCOJNGZNYLP-INIZCTEOSA-N 1 0 407.584 0.833 20 0 HCADRO C[C@H](CNC(=O)C(=O)NC1CCN(c2cccs2)CC1)C[NH+]1CCN(C)CC1 ZINC000671172300 1079092964 /nfs/dbraw/zinc/09/29/64/1079092964.db2.gz JDGGCOJNGZNYLP-MRXNPFEDSA-N 1 0 407.584 0.833 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1)C[NH+]1CCN(C)CC1 ZINC000671172460 1079092293 /nfs/dbraw/zinc/09/22/93/1079092293.db2.gz JDTQQUJOUOYAEL-APWZRJJASA-N 1 0 406.502 0.805 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1)C[NH+]1CCN(C)CC1 ZINC000671172461 1079092445 /nfs/dbraw/zinc/09/24/45/1079092445.db2.gz JDTQQUJOUOYAEL-LPHOPBHVSA-N 1 0 406.502 0.805 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1)C[NH+]1CCN(C)CC1 ZINC000671172462 1079092371 /nfs/dbraw/zinc/09/23/71/1079092371.db2.gz JDTQQUJOUOYAEL-QFBILLFUSA-N 1 0 406.502 0.805 20 0 HCADRO COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)CCC2 ZINC000671172499 1079092281 /nfs/dbraw/zinc/09/22/81/1079092281.db2.gz VTXBLMDFPRYYAV-AEFFLSMTSA-N 1 0 420.558 0.023 20 0 HCADRO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)CCC2 ZINC000671172500 1079092719 /nfs/dbraw/zinc/09/27/19/1079092719.db2.gz VTXBLMDFPRYYAV-FUHWJXTLSA-N 1 0 420.558 0.023 20 0 HCADRO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)CCC2 ZINC000671172501 1079092997 /nfs/dbraw/zinc/09/29/97/1079092997.db2.gz VTXBLMDFPRYYAV-SJLPKXTDSA-N 1 0 420.558 0.023 20 0 HCADRO COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)CCC2 ZINC000671172502 1079093060 /nfs/dbraw/zinc/09/30/60/1079093060.db2.gz VTXBLMDFPRYYAV-WMZOPIPTSA-N 1 0 420.558 0.023 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1)C[NH+]1CCN(C)CC1 ZINC000671172503 1079092796 /nfs/dbraw/zinc/09/27/96/1079092796.db2.gz VUEPYIFKLMVHMO-KRWDZBQOSA-N 1 0 407.584 0.392 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1)C[NH+]1CCN(C)CC1 ZINC000671172504 1079092347 /nfs/dbraw/zinc/09/23/47/1079092347.db2.gz VUEPYIFKLMVHMO-QGZVFWFLSA-N 1 0 407.584 0.392 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H](Cn1cccn1)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000671172682 1079094541 /nfs/dbraw/zinc/09/45/41/1079094541.db2.gz OIJWTXDZFYFMHI-AZUAARDMSA-N 1 0 412.538 0.740 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H](Cn1cccn1)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000671172683 1079094362 /nfs/dbraw/zinc/09/43/62/1079094362.db2.gz OIJWTXDZFYFMHI-ICSRJNTNSA-N 1 0 412.538 0.740 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H](Cn1cccn1)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000671172684 1079094412 /nfs/dbraw/zinc/09/44/12/1079094412.db2.gz OIJWTXDZFYFMHI-QUCCMNQESA-N 1 0 412.538 0.740 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H](Cn1cccn1)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000671172685 1079094519 /nfs/dbraw/zinc/09/45/19/1079094519.db2.gz OIJWTXDZFYFMHI-UYAOXDASSA-N 1 0 412.538 0.740 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCO[C@]2(CCc3ccccc32)C1)C[NH+]1CCN(C)CC1 ZINC000671172743 1079091762 /nfs/dbraw/zinc/09/17/62/1079091762.db2.gz BHBQQDJJAYCFRD-FDDCHVKYSA-N 1 0 414.550 0.687 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1)C[NH+]1CCN(C)CC1 ZINC000671172744 1079092399 /nfs/dbraw/zinc/09/23/99/1079092399.db2.gz BHBQQDJJAYCFRD-JPYJTQIMSA-N 1 0 414.550 0.687 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1)C[NH+]1CCN(C)CC1 ZINC000671172745 1079092329 /nfs/dbraw/zinc/09/23/29/1079092329.db2.gz BHBQQDJJAYCFRD-MBSDFSHPSA-N 1 0 414.550 0.687 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCO[C@]2(CCc3ccccc32)C1)C[NH+]1CCN(C)CC1 ZINC000671172746 1079092261 /nfs/dbraw/zinc/09/22/61/1079092261.db2.gz BHBQQDJJAYCFRD-WZONZLPQSA-N 1 0 414.550 0.687 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCN2CCCc3ccccc32)CC1 ZINC000671172879 1079094595 /nfs/dbraw/zinc/09/45/95/1079094595.db2.gz IEOYOOKPHWROJS-IBGZPJMESA-N 1 0 415.582 0.945 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCN2CCCc3ccccc32)CC1 ZINC000671172880 1079094560 /nfs/dbraw/zinc/09/45/60/1079094560.db2.gz IEOYOOKPHWROJS-LJQANCHMSA-N 1 0 415.582 0.945 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671172964 1079093942 /nfs/dbraw/zinc/09/39/42/1079093942.db2.gz XHSCNQNNKGQUBI-HNNXBMFYSA-N 1 0 403.518 0.222 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671172965 1079094027 /nfs/dbraw/zinc/09/40/27/1079094027.db2.gz XHSCNQNNKGQUBI-OAHLLOKOSA-N 1 0 403.518 0.222 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000671173044 1079093984 /nfs/dbraw/zinc/09/39/84/1079093984.db2.gz JBXPDLZPPPICMP-AEFFLSMTSA-N 1 0 404.559 0.646 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC000671173045 1079093837 /nfs/dbraw/zinc/09/38/37/1079093837.db2.gz JBXPDLZPPPICMP-FUHWJXTLSA-N 1 0 404.559 0.646 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC000671173046 1079093898 /nfs/dbraw/zinc/09/38/98/1079093898.db2.gz JBXPDLZPPPICMP-SJLPKXTDSA-N 1 0 404.559 0.646 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000671173047 1079094041 /nfs/dbraw/zinc/09/40/41/1079094041.db2.gz JBXPDLZPPPICMP-WMZOPIPTSA-N 1 0 404.559 0.646 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCOC3(CCOCC3)CC2)CC1 ZINC000671173173 1079093519 /nfs/dbraw/zinc/09/35/19/1079093519.db2.gz WHDNNVWHHNWJGL-GOSISDBHSA-N 1 0 410.559 0.174 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCOC3(CCOCC3)CC2)CC1 ZINC000671173176 1079093469 /nfs/dbraw/zinc/09/34/69/1079093469.db2.gz WHDNNVWHHNWJGL-SFHVURJKSA-N 1 0 410.559 0.174 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000671173181 1079094443 /nfs/dbraw/zinc/09/44/43/1079094443.db2.gz IUZPUVCINYDCBZ-MSOLQXFVSA-N 1 0 402.543 0.166 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000671173186 1079092840 /nfs/dbraw/zinc/09/28/40/1079092840.db2.gz IUZPUVCINYDCBZ-QZTJIDSGSA-N 1 0 402.543 0.166 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000671173188 1079094953 /nfs/dbraw/zinc/09/49/53/1079094953.db2.gz IUZPUVCINYDCBZ-ROUUACIJSA-N 1 0 402.543 0.166 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000671173189 1079095075 /nfs/dbraw/zinc/09/50/75/1079095075.db2.gz IUZPUVCINYDCBZ-ZWKOTPCHSA-N 1 0 402.543 0.166 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]2c2cn(C)nc2C)CC1 ZINC000671173193 1079094991 /nfs/dbraw/zinc/09/49/91/1079094991.db2.gz IZOUBFIVMBKDPV-APWZRJJASA-N 1 0 404.559 0.782 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]2c2cn(C)nc2C)CC1 ZINC000671173197 1079095135 /nfs/dbraw/zinc/09/51/35/1079095135.db2.gz IZOUBFIVMBKDPV-LPHOPBHVSA-N 1 0 404.559 0.782 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000671173199 1079095012 /nfs/dbraw/zinc/09/50/12/1079095012.db2.gz IZOUBFIVMBKDPV-QFBILLFUSA-N 1 0 404.559 0.782 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000671173200 1079095047 /nfs/dbraw/zinc/09/50/47/1079095047.db2.gz IZOUBFIVMBKDPV-VQIMIIECSA-N 1 0 404.559 0.782 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000671173239 1079096557 /nfs/dbraw/zinc/09/65/57/1079096557.db2.gz NHHKIJOUETXLTC-GOSISDBHSA-N 1 0 415.538 0.252 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000671173240 1079096514 /nfs/dbraw/zinc/09/65/14/1079096514.db2.gz NHHKIJOUETXLTC-SFHVURJKSA-N 1 0 415.538 0.252 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC000671173296 1079096486 /nfs/dbraw/zinc/09/64/86/1079096486.db2.gz VERUNGFJTBSIDF-KRWDZBQOSA-N 1 0 424.590 0.029 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC000671173297 1079096357 /nfs/dbraw/zinc/09/63/57/1079096357.db2.gz VERUNGFJTBSIDF-QGZVFWFLSA-N 1 0 424.590 0.029 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3cc(C)on3)CC2)CC1 ZINC000671173470 1079096571 /nfs/dbraw/zinc/09/65/71/1079096571.db2.gz KTUVWSQVELGZGZ-KRWDZBQOSA-N 1 0 420.558 0.017 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3cc(C)on3)CC2)CC1 ZINC000671173471 1079096437 /nfs/dbraw/zinc/09/64/37/1079096437.db2.gz KTUVWSQVELGZGZ-QGZVFWFLSA-N 1 0 420.558 0.017 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCOc3cccc(F)c3C2)CC1 ZINC000671173510 1079096468 /nfs/dbraw/zinc/09/64/68/1079096468.db2.gz WVRHDQPEHGQGIQ-INIZCTEOSA-N 1 0 406.502 0.937 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCOc3cccc(F)c3C2)CC1 ZINC000671173511 1079096404 /nfs/dbraw/zinc/09/64/04/1079096404.db2.gz WVRHDQPEHGQGIQ-MRXNPFEDSA-N 1 0 406.502 0.937 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2nn(C)c3ccccc23)CC1 ZINC000671173516 1079096339 /nfs/dbraw/zinc/09/63/39/1079096339.db2.gz YCPDDILGLKCCNI-INIZCTEOSA-N 1 0 400.527 0.579 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCc2nn(C)c3ccccc23)CC1 ZINC000671173517 1079096543 /nfs/dbraw/zinc/09/65/43/1079096543.db2.gz YCPDDILGLKCCNI-MRXNPFEDSA-N 1 0 400.527 0.579 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1 ZINC000671173540 1079095486 /nfs/dbraw/zinc/09/54/86/1079095486.db2.gz DOUNPSLDOCVYIG-INIZCTEOSA-N 1 0 404.511 0.764 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1 ZINC000671173541 1079095716 /nfs/dbraw/zinc/09/57/16/1079095716.db2.gz DOUNPSLDOCVYIG-MRXNPFEDSA-N 1 0 404.511 0.764 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2c(C)cc(C)nc2OC)CC1 ZINC000671173546 1079095690 /nfs/dbraw/zinc/09/56/90/1079095690.db2.gz FMZJJOVCYHSBRF-HNNXBMFYSA-N 1 0 405.543 0.713 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCc2c(C)cc(C)nc2OC)CC1 ZINC000671173547 1079095512 /nfs/dbraw/zinc/09/55/12/1079095512.db2.gz FMZJJOVCYHSBRF-OAHLLOKOSA-N 1 0 405.543 0.713 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671173561 1079095462 /nfs/dbraw/zinc/09/54/62/1079095462.db2.gz HFGJPLIRTOZLFP-GOSISDBHSA-N 1 0 401.555 0.508 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671173562 1079095347 /nfs/dbraw/zinc/09/53/47/1079095347.db2.gz HFGJPLIRTOZLFP-SFHVURJKSA-N 1 0 401.555 0.508 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000671173569 1079095640 /nfs/dbraw/zinc/09/56/40/1079095640.db2.gz IJUASLZBZNDFRK-FXAWDEMLSA-N 1 0 401.555 0.679 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000671173570 1079095606 /nfs/dbraw/zinc/09/56/06/1079095606.db2.gz IJUASLZBZNDFRK-PXNSSMCTSA-N 1 0 401.555 0.679 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000671173571 1079095395 /nfs/dbraw/zinc/09/53/95/1079095395.db2.gz IJUASLZBZNDFRK-XLIONFOSSA-N 1 0 401.555 0.679 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000671173572 1079095901 /nfs/dbraw/zinc/09/59/01/1079095901.db2.gz IJUASLZBZNDFRK-YLJYHZDGSA-N 1 0 401.555 0.679 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671173637 1079095991 /nfs/dbraw/zinc/09/59/91/1079095991.db2.gz AWZXYHZICSMNAV-HKUYNNGSSA-N 1 0 421.586 0.284 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671173638 1079096049 /nfs/dbraw/zinc/09/60/49/1079096049.db2.gz AWZXYHZICSMNAV-IEBWSBKVSA-N 1 0 421.586 0.284 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671173639 1079095873 /nfs/dbraw/zinc/09/58/73/1079095873.db2.gz AWZXYHZICSMNAV-MJGOQNOKSA-N 1 0 421.586 0.284 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671173640 1079096014 /nfs/dbraw/zinc/09/60/14/1079096014.db2.gz AWZXYHZICSMNAV-PKOBYXMFSA-N 1 0 421.586 0.284 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000671173666 1079095959 /nfs/dbraw/zinc/09/59/59/1079095959.db2.gz FEBLOJAWXFFJEB-FQEVSTJZSA-N 1 0 415.582 0.721 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000671173667 1079096093 /nfs/dbraw/zinc/09/60/93/1079096093.db2.gz FEBLOJAWXFFJEB-HXUWFJFHSA-N 1 0 415.582 0.721 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000671173672 1079095117 /nfs/dbraw/zinc/09/51/17/1079095117.db2.gz FLLLXRVWGHCSIA-AEFFLSMTSA-N 1 0 418.538 0.505 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2COc3c(cccc3OC)C2)CC1 ZINC000671173673 1079094935 /nfs/dbraw/zinc/09/49/35/1079094935.db2.gz FLLLXRVWGHCSIA-FUHWJXTLSA-N 1 0 418.538 0.505 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2COc3c(cccc3OC)C2)CC1 ZINC000671173674 1079094978 /nfs/dbraw/zinc/09/49/78/1079094978.db2.gz FLLLXRVWGHCSIA-SJLPKXTDSA-N 1 0 418.538 0.505 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000671173675 1079095062 /nfs/dbraw/zinc/09/50/62/1079095062.db2.gz FLLLXRVWGHCSIA-WMZOPIPTSA-N 1 0 418.538 0.505 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCOC[C@H]2c2ccc(C)o2)CC1 ZINC000671173750 1079095533 /nfs/dbraw/zinc/09/55/33/1079095533.db2.gz VLYZQNIZPGGOQO-AEFFLSMTSA-N 1 0 406.527 0.878 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCOC[C@@H]2c2ccc(C)o2)CC1 ZINC000671173751 1079095671 /nfs/dbraw/zinc/09/56/71/1079095671.db2.gz VLYZQNIZPGGOQO-FUHWJXTLSA-N 1 0 406.527 0.878 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCOC[C@@H]2c2ccc(C)o2)CC1 ZINC000671173752 1079095575 /nfs/dbraw/zinc/09/55/75/1079095575.db2.gz VLYZQNIZPGGOQO-SJLPKXTDSA-N 1 0 406.527 0.878 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCOC[C@H]2c2ccc(C)o2)CC1 ZINC000671173753 1079095415 /nfs/dbraw/zinc/09/54/15/1079095415.db2.gz VLYZQNIZPGGOQO-WMZOPIPTSA-N 1 0 406.527 0.878 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000671173929 1079094892 /nfs/dbraw/zinc/09/48/92/1079094892.db2.gz YPFGSDFUHOKAJH-ILXRZTDVSA-N 1 0 408.465 0.554 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000671173930 1079094915 /nfs/dbraw/zinc/09/49/15/1079094915.db2.gz YPFGSDFUHOKAJH-KFWWJZLASA-N 1 0 408.465 0.554 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000671173931 1079095029 /nfs/dbraw/zinc/09/50/29/1079095029.db2.gz YPFGSDFUHOKAJH-QLFBSQMISA-N 1 0 408.465 0.554 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC000671173932 1079095091 /nfs/dbraw/zinc/09/50/91/1079095091.db2.gz YPFGSDFUHOKAJH-RBSFLKMASA-N 1 0 408.465 0.554 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000671174306 1079097020 /nfs/dbraw/zinc/09/70/20/1079097020.db2.gz MUBYOZYZPBWUNA-AZUAARDMSA-N 1 0 401.555 0.862 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000671174308 1079096999 /nfs/dbraw/zinc/09/69/99/1079096999.db2.gz MUBYOZYZPBWUNA-ICSRJNTNSA-N 1 0 401.555 0.862 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000671174312 1079097079 /nfs/dbraw/zinc/09/70/79/1079097079.db2.gz MUBYOZYZPBWUNA-QUCCMNQESA-N 1 0 401.555 0.862 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H](c2ccnn2C)C(C)C)CC1 ZINC000671174316 1079096971 /nfs/dbraw/zinc/09/69/71/1079096971.db2.gz DJSCYRCJQFPIFJ-MSOLQXFVSA-N 1 0 406.575 0.666 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000671174317 1079096861 /nfs/dbraw/zinc/09/68/61/1079096861.db2.gz MUBYOZYZPBWUNA-UYAOXDASSA-N 1 0 401.555 0.862 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H](c2ccnn2C)C(C)C)CC1 ZINC000671174325 1079096841 /nfs/dbraw/zinc/09/68/41/1079096841.db2.gz DJSCYRCJQFPIFJ-QZTJIDSGSA-N 1 0 406.575 0.666 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H](c2ccnn2C)C(C)C)CC1 ZINC000671174327 1079097040 /nfs/dbraw/zinc/09/70/40/1079097040.db2.gz DJSCYRCJQFPIFJ-ROUUACIJSA-N 1 0 406.575 0.666 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H](c2ccnn2C)C(C)C)CC1 ZINC000671174328 1079096823 /nfs/dbraw/zinc/09/68/23/1079096823.db2.gz DJSCYRCJQFPIFJ-ZWKOTPCHSA-N 1 0 406.575 0.666 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000671174396 1079096958 /nfs/dbraw/zinc/09/69/58/1079096958.db2.gz LOSYKWYJRVXJIQ-GOSISDBHSA-N 1 0 421.611 0.782 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000671174399 1079096886 /nfs/dbraw/zinc/09/68/86/1079096886.db2.gz LOSYKWYJRVXJIQ-SFHVURJKSA-N 1 0 421.611 0.782 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@@H](C)Cn3cccn3)CC2)CC1 ZINC000671174840 1079094378 /nfs/dbraw/zinc/09/43/78/1079094378.db2.gz DSMOMYPJUBVETH-GOSISDBHSA-N 1 0 404.559 0.652 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H](C)Cn3cccn3)CC2)CC1 ZINC000671174841 1079094504 /nfs/dbraw/zinc/09/45/04/1079094504.db2.gz DSMOMYPJUBVETH-SFHVURJKSA-N 1 0 404.559 0.652 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1)S(C)(=O)=O ZINC000671181308 1079099961 /nfs/dbraw/zinc/09/99/61/1079099961.db2.gz LBOGQCBPOZMGOI-DLBZAZTESA-N 1 0 408.524 0.442 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1)S(C)(=O)=O ZINC000671181309 1079099815 /nfs/dbraw/zinc/09/98/15/1079099815.db2.gz LBOGQCBPOZMGOI-IAGOWNOFSA-N 1 0 408.524 0.442 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1)S(C)(=O)=O ZINC000671181310 1079099833 /nfs/dbraw/zinc/09/98/33/1079099833.db2.gz LBOGQCBPOZMGOI-IRXDYDNUSA-N 1 0 408.524 0.442 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1)S(C)(=O)=O ZINC000671181311 1079099935 /nfs/dbraw/zinc/09/99/35/1079099935.db2.gz LBOGQCBPOZMGOI-SJORKVTESA-N 1 0 408.524 0.442 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000671181545 1079099452 /nfs/dbraw/zinc/09/94/52/1079099452.db2.gz UHLDVBTZJONIKJ-DLBZAZTESA-N 1 0 408.524 0.095 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000671181546 1079099354 /nfs/dbraw/zinc/09/93/54/1079099354.db2.gz UHLDVBTZJONIKJ-IAGOWNOFSA-N 1 0 408.524 0.095 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000671181547 1079099890 /nfs/dbraw/zinc/09/98/90/1079099890.db2.gz UHLDVBTZJONIKJ-IRXDYDNUSA-N 1 0 408.524 0.095 20 0 HCADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000671181548 1079100001 /nfs/dbraw/zinc/10/00/01/1079100001.db2.gz UHLDVBTZJONIKJ-SJORKVTESA-N 1 0 408.524 0.095 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000671181839 1079099466 /nfs/dbraw/zinc/09/94/66/1079099466.db2.gz YMMYOVGWXVOZHJ-KBPBESRZSA-N 1 0 414.553 0.194 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000671181840 1079099418 /nfs/dbraw/zinc/09/94/18/1079099418.db2.gz YMMYOVGWXVOZHJ-KGLIPLIRSA-N 1 0 414.553 0.194 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000671181841 1079099225 /nfs/dbraw/zinc/09/92/25/1079099225.db2.gz YMMYOVGWXVOZHJ-UONOGXRCSA-N 1 0 414.553 0.194 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000671181842 1079099310 /nfs/dbraw/zinc/09/93/10/1079099310.db2.gz YMMYOVGWXVOZHJ-ZIAGYGMSSA-N 1 0 414.553 0.194 20 0 HCADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671181866 1079099340 /nfs/dbraw/zinc/09/93/40/1079099340.db2.gz TWAIHYFGBFDJFR-MSOLQXFVSA-N 1 0 420.535 0.586 20 0 HCADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671181867 1079099252 /nfs/dbraw/zinc/09/92/52/1079099252.db2.gz TWAIHYFGBFDJFR-QZTJIDSGSA-N 1 0 420.535 0.586 20 0 HCADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671181868 1079099501 /nfs/dbraw/zinc/09/95/01/1079099501.db2.gz TWAIHYFGBFDJFR-ROUUACIJSA-N 1 0 420.535 0.586 20 0 HCADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671181869 1079099292 /nfs/dbraw/zinc/09/92/92/1079099292.db2.gz TWAIHYFGBFDJFR-ZWKOTPCHSA-N 1 0 420.535 0.586 20 0 HCADRO CC(C)c1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000671182239 1079101331 /nfs/dbraw/zinc/10/13/31/1079101331.db2.gz ZUKHWCIEVWYRHB-MSOLQXFVSA-N 1 0 400.527 0.992 20 0 HCADRO CC(C)c1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000671182240 1079101258 /nfs/dbraw/zinc/10/12/58/1079101258.db2.gz ZUKHWCIEVWYRHB-QZTJIDSGSA-N 1 0 400.527 0.992 20 0 HCADRO CC(C)c1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000671182241 1079101394 /nfs/dbraw/zinc/10/13/94/1079101394.db2.gz ZUKHWCIEVWYRHB-ROUUACIJSA-N 1 0 400.527 0.992 20 0 HCADRO CC(C)c1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000671182242 1079101416 /nfs/dbraw/zinc/10/14/16/1079101416.db2.gz ZUKHWCIEVWYRHB-ZWKOTPCHSA-N 1 0 400.527 0.992 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C1 ZINC000671204984 1079116264 /nfs/dbraw/zinc/11/62/64/1079116264.db2.gz XOTBIAMWVCCXTR-INIZCTEOSA-N 1 0 410.540 0.725 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C1 ZINC000671204985 1079116356 /nfs/dbraw/zinc/11/63/56/1079116356.db2.gz XOTBIAMWVCCXTR-MRXNPFEDSA-N 1 0 410.540 0.725 20 0 HCADRO CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)C2 ZINC000671207377 1079120119 /nfs/dbraw/zinc/12/01/19/1079120119.db2.gz IVLBJGUGEPZTGE-HNNXBMFYSA-N 1 0 409.556 0.298 20 0 HCADRO CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@H](C)CN1CC[NH+](C)CC1)C2 ZINC000671207379 1079120142 /nfs/dbraw/zinc/12/01/42/1079120142.db2.gz IVLBJGUGEPZTGE-OAHLLOKOSA-N 1 0 409.556 0.298 20 0 HCADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCC3CN(S(C)(=O)=O)C3)cc2)CC1 ZINC000671213637 1079123759 /nfs/dbraw/zinc/12/37/59/1079123759.db2.gz UUQCJNBAFNWHNY-UHFFFAOYSA-N 1 0 410.540 0.850 20 0 HCADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671239942 1079140209 /nfs/dbraw/zinc/14/02/09/1079140209.db2.gz PGTJOXFRTSGXQY-PMACEKPBSA-N 1 0 423.579 0.903 20 0 HCADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671239943 1079140266 /nfs/dbraw/zinc/14/02/66/1079140266.db2.gz PGTJOXFRTSGXQY-UXHICEINSA-N 1 0 423.579 0.903 20 0 HCADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671239944 1079140275 /nfs/dbraw/zinc/14/02/75/1079140275.db2.gz PGTJOXFRTSGXQY-VQTJNVASSA-N 1 0 423.579 0.903 20 0 HCADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671239945 1079140167 /nfs/dbraw/zinc/14/01/67/1079140167.db2.gz PGTJOXFRTSGXQY-WOJBJXKFSA-N 1 0 423.579 0.903 20 0 HCADRO C[C@@H]1C[NH+](C[C@H](O)CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C[C@@H](C)O1 ZINC000671244855 1079140307 /nfs/dbraw/zinc/14/03/07/1079140307.db2.gz RVWORLKYUSZNSG-JFIYKMOQSA-N 1 0 411.568 0.765 20 0 HCADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000671244856 1079140294 /nfs/dbraw/zinc/14/02/94/1079140294.db2.gz RVWORLKYUSZNSG-JZXOWHBKSA-N 1 0 411.568 0.765 20 0 HCADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C[C@@H](C)O1 ZINC000671244859 1079140728 /nfs/dbraw/zinc/14/07/28/1079140728.db2.gz RVWORLKYUSZNSG-NUJGCVRESA-N 1 0 411.568 0.765 20 0 HCADRO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000671244860 1079140905 /nfs/dbraw/zinc/14/09/05/1079140905.db2.gz RVWORLKYUSZNSG-SOLBZPMBSA-N 1 0 411.568 0.765 20 0 HCADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2CCO)CC1 ZINC000671246744 1079140858 /nfs/dbraw/zinc/14/08/58/1079140858.db2.gz PAPJOXKNOSUROD-INIZCTEOSA-N 1 0 401.515 0.639 20 0 HCADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2CCO)CC1 ZINC000671246745 1079140773 /nfs/dbraw/zinc/14/07/73/1079140773.db2.gz PAPJOXKNOSUROD-MRXNPFEDSA-N 1 0 401.515 0.639 20 0 HCADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH+]2CCC3(CCOCC3)CC2)CC1 ZINC000671251913 1079140921 /nfs/dbraw/zinc/14/09/21/1079140921.db2.gz ACPIJFVCBLBWMK-UHFFFAOYSA-N 1 0 413.526 0.905 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3ccn(C)c(=O)c3c2)C1 ZINC000671257350 1079141311 /nfs/dbraw/zinc/14/13/11/1079141311.db2.gz BUGAYEJBIWCAAH-KRWDZBQOSA-N 1 0 400.479 0.950 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc3ccn(C)c(=O)c3c2)C1 ZINC000671257351 1079141491 /nfs/dbraw/zinc/14/14/91/1079141491.db2.gz BUGAYEJBIWCAAH-QGZVFWFLSA-N 1 0 400.479 0.950 20 0 HCADRO O=C(Nc1ccc2c(c1F)CCNC2=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000671258667 1079142093 /nfs/dbraw/zinc/14/20/93/1079142093.db2.gz BEZNXIUXPCCNOP-AWEZNQCLSA-N 1 0 418.469 0.763 20 0 HCADRO O=C(Nc1ccc2c(c1F)CCNC2=O)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000671258668 1079141888 /nfs/dbraw/zinc/14/18/88/1079141888.db2.gz BEZNXIUXPCCNOP-CQSZACIVSA-N 1 0 418.469 0.763 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000671259601 1079142617 /nfs/dbraw/zinc/14/26/17/1079142617.db2.gz QFQITLSFSZTKEH-CYBMUJFWSA-N 1 0 406.458 0.619 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000671259602 1079142655 /nfs/dbraw/zinc/14/26/55/1079142655.db2.gz QFQITLSFSZTKEH-ZDUSSCGKSA-N 1 0 406.458 0.619 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc(OC(C)C)nn3)CC2)c1 ZINC000671259811 1079142549 /nfs/dbraw/zinc/14/25/49/1079142549.db2.gz BSSDPSAUBFSBLG-UHFFFAOYSA-N 1 0 400.439 0.955 20 0 HCADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000671260362 1079143404 /nfs/dbraw/zinc/14/34/04/1079143404.db2.gz NUWIRMFPUFSAHU-KRWDZBQOSA-N 1 0 415.494 0.269 20 0 HCADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000671260363 1079143471 /nfs/dbraw/zinc/14/34/71/1079143471.db2.gz NUWIRMFPUFSAHU-QGZVFWFLSA-N 1 0 415.494 0.269 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CC2)C1 ZINC000671260455 1079143437 /nfs/dbraw/zinc/14/34/37/1079143437.db2.gz PQIPLLNVGLLYBY-AWEZNQCLSA-N 1 0 417.485 0.289 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CC2)C1 ZINC000671260456 1079143377 /nfs/dbraw/zinc/14/33/77/1079143377.db2.gz PQIPLLNVGLLYBY-CQSZACIVSA-N 1 0 417.485 0.289 20 0 HCADRO Cn1ccc2ccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cc2c1=O ZINC000671260471 1079143459 /nfs/dbraw/zinc/14/34/59/1079143459.db2.gz ZGSGYYSSYMKGKF-GOSISDBHSA-N 1 0 411.506 0.715 20 0 HCADRO Cn1ccc2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)cc2c1=O ZINC000671260472 1079143494 /nfs/dbraw/zinc/14/34/94/1079143494.db2.gz ZGSGYYSSYMKGKF-SFHVURJKSA-N 1 0 411.506 0.715 20 0 HCADRO COc1c(NC(=O)C(=O)NCC[NH+]2CCC(OC)CC2)cc(Cl)cc1C(N)=O ZINC000671262163 1079143498 /nfs/dbraw/zinc/14/34/98/1079143498.db2.gz SSWQEUPCFQPYJC-UHFFFAOYSA-N 1 0 412.874 0.613 20 0 HCADRO COc1c(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc(Cl)cc1C(N)=O ZINC000671262544 1079145577 /nfs/dbraw/zinc/14/55/77/1079145577.db2.gz TYDBNHRWBLFFKG-UHFFFAOYSA-N 1 0 408.846 0.783 20 0 HCADRO Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)cc2c1=O ZINC000671265042 1079150062 /nfs/dbraw/zinc/15/00/62/1079150062.db2.gz HMPUAAVGVNGEHK-KRWDZBQOSA-N 1 0 411.506 0.762 20 0 HCADRO Cn1ccc2ccc(NC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cc2c1=O ZINC000671265043 1079150121 /nfs/dbraw/zinc/15/01/21/1079150121.db2.gz HMPUAAVGVNGEHK-QGZVFWFLSA-N 1 0 411.506 0.762 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2)CC1 ZINC000671265064 1079150013 /nfs/dbraw/zinc/15/00/13/1079150013.db2.gz NDSYTAWZONBBQS-CYBMUJFWSA-N 1 0 417.485 0.335 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2)CC1 ZINC000671265065 1079150159 /nfs/dbraw/zinc/15/01/59/1079150159.db2.gz NDSYTAWZONBBQS-ZDUSSCGKSA-N 1 0 417.485 0.335 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000671265085 1079149524 /nfs/dbraw/zinc/14/95/24/1079149524.db2.gz SGFSIYDGMDTMRL-HNNXBMFYSA-N 1 0 403.483 0.173 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000671265086 1079149485 /nfs/dbraw/zinc/14/94/85/1079149485.db2.gz SGFSIYDGMDTMRL-OAHLLOKOSA-N 1 0 403.483 0.173 20 0 HCADRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)nn1 ZINC000671265247 1079150667 /nfs/dbraw/zinc/15/06/67/1079150667.db2.gz KXNPIGWCNOLDTH-INIZCTEOSA-N 1 0 404.515 0.829 20 0 HCADRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)nn1 ZINC000671265251 1079150562 /nfs/dbraw/zinc/15/05/62/1079150562.db2.gz KXNPIGWCNOLDTH-MRXNPFEDSA-N 1 0 404.515 0.829 20 0 HCADRO CN(C(=O)C(=O)Nc1cnc(CC2CC2)nc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671265305 1079150649 /nfs/dbraw/zinc/15/06/49/1079150649.db2.gz MLRFZLQBARJBRG-GOSISDBHSA-N 1 0 400.527 0.995 20 0 HCADRO CN(C(=O)C(=O)Nc1cnc(CC2CC2)nc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671265306 1079150596 /nfs/dbraw/zinc/15/05/96/1079150596.db2.gz MLRFZLQBARJBRG-SFHVURJKSA-N 1 0 400.527 0.995 20 0 HCADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000671265347 1079150624 /nfs/dbraw/zinc/15/06/24/1079150624.db2.gz JATQPUDFXLGHKS-LLVKDONJSA-N 1 0 421.445 0.623 20 0 HCADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000671265348 1079150545 /nfs/dbraw/zinc/15/05/45/1079150545.db2.gz JATQPUDFXLGHKS-NSHDSACASA-N 1 0 421.445 0.623 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C1 ZINC000671266278 1079151736 /nfs/dbraw/zinc/15/17/36/1079151736.db2.gz BZRIPBDRMRIAQW-INIZCTEOSA-N 1 0 403.483 0.171 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C1 ZINC000671266279 1079151886 /nfs/dbraw/zinc/15/18/86/1079151886.db2.gz BZRIPBDRMRIAQW-MRXNPFEDSA-N 1 0 403.483 0.171 20 0 HCADRO COCC1(NC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CCC1 ZINC000671278421 1079154530 /nfs/dbraw/zinc/15/45/30/1079154530.db2.gz DAEGHZLRRPHBME-UHFFFAOYSA-N 1 0 404.511 0.937 20 0 HCADRO CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000671285496 1079163743 /nfs/dbraw/zinc/16/37/43/1079163743.db2.gz UKNLYMIGRZSASM-UHFFFAOYSA-N 1 0 416.503 0.591 20 0 HCADRO CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000671285503 1079163918 /nfs/dbraw/zinc/16/39/18/1079163918.db2.gz VSAUOTNGPGXUJP-GOSISDBHSA-N 1 0 407.536 0.934 20 0 HCADRO CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000671285504 1079163937 /nfs/dbraw/zinc/16/39/37/1079163937.db2.gz VSAUOTNGPGXUJP-SFHVURJKSA-N 1 0 407.536 0.934 20 0 HCADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000671286456 1079164433 /nfs/dbraw/zinc/16/44/33/1079164433.db2.gz DJEQXFVGSYCWAI-FQEVSTJZSA-N 1 0 416.522 0.903 20 0 HCADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000671286457 1079164532 /nfs/dbraw/zinc/16/45/32/1079164532.db2.gz DJEQXFVGSYCWAI-HXUWFJFHSA-N 1 0 416.522 0.903 20 0 HCADRO COCC(=O)N1CCC(NC(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000671288779 1079165140 /nfs/dbraw/zinc/16/51/40/1079165140.db2.gz NBQSGNCJLRXPIM-UHFFFAOYSA-N 1 0 422.570 0.903 20 0 HCADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671307964 1079202455 /nfs/dbraw/zinc/20/24/55/1079202455.db2.gz VJOQGLHTZHLVRL-HOTGVXAUSA-N 1 0 406.531 0.267 20 0 HCADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671307965 1079202297 /nfs/dbraw/zinc/20/22/97/1079202297.db2.gz VJOQGLHTZHLVRL-HZPDHXFCSA-N 1 0 406.531 0.267 20 0 HCADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671307966 1079202348 /nfs/dbraw/zinc/20/23/48/1079202348.db2.gz VJOQGLHTZHLVRL-IYBDPMFKSA-N 1 0 406.531 0.267 20 0 HCADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671308488 1079202835 /nfs/dbraw/zinc/20/28/35/1079202835.db2.gz YEUHKZGTEVHZOD-CVEARBPZSA-N 1 0 406.531 0.124 20 0 HCADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671308489 1079202983 /nfs/dbraw/zinc/20/29/83/1079202983.db2.gz YEUHKZGTEVHZOD-HOTGVXAUSA-N 1 0 406.531 0.124 20 0 HCADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671308490 1079202951 /nfs/dbraw/zinc/20/29/51/1079202951.db2.gz YEUHKZGTEVHZOD-HZPDHXFCSA-N 1 0 406.531 0.124 20 0 HCADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671308491 1079202883 /nfs/dbraw/zinc/20/28/83/1079202883.db2.gz YEUHKZGTEVHZOD-JKSUJKDBSA-N 1 0 406.531 0.124 20 0 HCADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000671316573 1079207648 /nfs/dbraw/zinc/20/76/48/1079207648.db2.gz PUDYODBAOKQEDW-KRWDZBQOSA-N 1 0 409.575 0.424 20 0 HCADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000671316579 1079207632 /nfs/dbraw/zinc/20/76/32/1079207632.db2.gz PUDYODBAOKQEDW-QGZVFWFLSA-N 1 0 409.575 0.424 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000671324514 1079219341 /nfs/dbraw/zinc/21/93/41/1079219341.db2.gz OXKNLIFWWUKANO-IBGZPJMESA-N 1 0 422.533 0.951 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1Cc2ccccc21 ZINC000671324517 1079219419 /nfs/dbraw/zinc/21/94/19/1079219419.db2.gz OXKNLIFWWUKANO-LJQANCHMSA-N 1 0 422.533 0.951 20 0 HCADRO C[N@H+](CCN1CCN(C(=O)C(=O)NC[C@@H]2CCCOC2)CC1)Cc1ccccc1 ZINC000671333336 1079225282 /nfs/dbraw/zinc/22/52/82/1079225282.db2.gz BCJMOQMIOGBHHO-FQEVSTJZSA-N 1 0 402.539 0.805 20 0 HCADRO C[N@H+](CCN1CCN(C(=O)C(=O)NC[C@H]2CCCOC2)CC1)Cc1ccccc1 ZINC000671333337 1079225077 /nfs/dbraw/zinc/22/50/77/1079225077.db2.gz BCJMOQMIOGBHHO-HXUWFJFHSA-N 1 0 402.539 0.805 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CCCOC2)CC1 ZINC000671333925 1079224781 /nfs/dbraw/zinc/22/47/81/1079224781.db2.gz JGWBIRLZGPEDTA-KRWDZBQOSA-N 1 0 410.559 0.616 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CCCOC2)CC1 ZINC000671333930 1079224671 /nfs/dbraw/zinc/22/46/71/1079224671.db2.gz JGWBIRLZGPEDTA-QGZVFWFLSA-N 1 0 410.559 0.616 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CCCOC3)c2)C1 ZINC000671335167 1079225329 /nfs/dbraw/zinc/22/53/29/1079225329.db2.gz RGXUQDPBTIQMKW-MOPGFXCFSA-N 1 0 416.522 0.543 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CCCOC3)c2)C1 ZINC000671335174 1079225261 /nfs/dbraw/zinc/22/52/61/1079225261.db2.gz RGXUQDPBTIQMKW-OALUTQOASA-N 1 0 416.522 0.543 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CCCOC3)c2)C1 ZINC000671335176 1079225240 /nfs/dbraw/zinc/22/52/40/1079225240.db2.gz RGXUQDPBTIQMKW-RBUKOAKNSA-N 1 0 416.522 0.543 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CCCOC3)c2)C1 ZINC000671335185 1079224995 /nfs/dbraw/zinc/22/49/95/1079224995.db2.gz RGXUQDPBTIQMKW-RTBURBONSA-N 1 0 416.522 0.543 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)NC[C@H]2CCCOC2)CC1 ZINC000671335668 1079226060 /nfs/dbraw/zinc/22/60/60/1079226060.db2.gz MYSHNULNXUCJOD-GOSISDBHSA-N 1 0 418.538 0.818 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)NC[C@@H]2CCCOC2)CC1 ZINC000671335673 1079226084 /nfs/dbraw/zinc/22/60/84/1079226084.db2.gz MYSHNULNXUCJOD-SFHVURJKSA-N 1 0 418.538 0.818 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1CCCOC1 ZINC000671335877 1079226036 /nfs/dbraw/zinc/22/60/36/1079226036.db2.gz QXVBHGKKJCJIJC-KRWDZBQOSA-N 1 0 404.515 0.038 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1CCCOC1 ZINC000671335880 1079225991 /nfs/dbraw/zinc/22/59/91/1079225991.db2.gz QXVBHGKKJCJIJC-QGZVFWFLSA-N 1 0 404.515 0.038 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CCCOC2)CC1 ZINC000671337908 1079227195 /nfs/dbraw/zinc/22/71/95/1079227195.db2.gz BSOXTPDHDRQVRE-INIZCTEOSA-N 1 0 410.559 0.472 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CCCOC2)CC1 ZINC000671337913 1079227449 /nfs/dbraw/zinc/22/74/49/1079227449.db2.gz BSOXTPDHDRQVRE-MRXNPFEDSA-N 1 0 410.559 0.472 20 0 HCADRO O=C(NC[C@@H]1CCCOC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000671338568 1079227729 /nfs/dbraw/zinc/22/77/29/1079227729.db2.gz NGVADOOOVKDXLQ-KRWDZBQOSA-N 1 0 408.543 0.370 20 0 HCADRO O=C(NC[C@H]1CCCOC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000671338577 1079227861 /nfs/dbraw/zinc/22/78/61/1079227861.db2.gz NGVADOOOVKDXLQ-QGZVFWFLSA-N 1 0 408.543 0.370 20 0 HCADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000671342521 1079232876 /nfs/dbraw/zinc/23/28/76/1079232876.db2.gz ISDQSAOKVYLOAK-KRWDZBQOSA-N 1 0 410.540 0.208 20 0 HCADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000671342522 1079232820 /nfs/dbraw/zinc/23/28/20/1079232820.db2.gz ISDQSAOKVYLOAK-QGZVFWFLSA-N 1 0 410.540 0.208 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000671342832 1079232751 /nfs/dbraw/zinc/23/27/51/1079232751.db2.gz LVUCRDSXKOKTOK-IBGZPJMESA-N 1 0 418.538 0.715 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000671342834 1079232865 /nfs/dbraw/zinc/23/28/65/1079232865.db2.gz LVUCRDSXKOKTOK-LJQANCHMSA-N 1 0 418.538 0.715 20 0 HCADRO CC[C@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C(=O)N1CCOCC1 ZINC000671343365 1079720432 /nfs/dbraw/zinc/72/04/32/1079720432.db2.gz KLYIAUNSJGNWKP-MSOLQXFVSA-N 1 0 404.511 0.029 20 0 HCADRO CC[C@@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C(=O)N1CCOCC1 ZINC000671343366 1079720498 /nfs/dbraw/zinc/72/04/98/1079720498.db2.gz KLYIAUNSJGNWKP-QZTJIDSGSA-N 1 0 404.511 0.029 20 0 HCADRO CC[C@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C(=O)N1CCOCC1 ZINC000671343367 1079720400 /nfs/dbraw/zinc/72/04/00/1079720400.db2.gz KLYIAUNSJGNWKP-ROUUACIJSA-N 1 0 404.511 0.029 20 0 HCADRO CC[C@@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C(=O)N1CCOCC1 ZINC000671343368 1079720449 /nfs/dbraw/zinc/72/04/49/1079720449.db2.gz KLYIAUNSJGNWKP-ZWKOTPCHSA-N 1 0 404.511 0.029 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000671343517 1079233985 /nfs/dbraw/zinc/23/39/85/1079233985.db2.gz PREFTQALDAMVFO-PMACEKPBSA-N 1 0 402.539 0.599 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000671343518 1079234102 /nfs/dbraw/zinc/23/41/02/1079234102.db2.gz PREFTQALDAMVFO-UXHICEINSA-N 1 0 402.539 0.599 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000671343519 1079233795 /nfs/dbraw/zinc/23/37/95/1079233795.db2.gz PREFTQALDAMVFO-VQTJNVASSA-N 1 0 402.539 0.599 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000671343520 1079234137 /nfs/dbraw/zinc/23/41/37/1079234137.db2.gz PREFTQALDAMVFO-WOJBJXKFSA-N 1 0 402.539 0.599 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000671343593 1079233831 /nfs/dbraw/zinc/23/38/31/1079233831.db2.gz AMMOOISFZZWZFP-GOSISDBHSA-N 1 0 417.554 0.928 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000671343594 1079233879 /nfs/dbraw/zinc/23/38/79/1079233879.db2.gz AMMOOISFZZWZFP-SFHVURJKSA-N 1 0 417.554 0.928 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000671343697 1079233330 /nfs/dbraw/zinc/23/33/30/1079233330.db2.gz PMZWLMMUYGHBKI-IBGZPJMESA-N 1 0 410.522 0.723 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000671343698 1079233465 /nfs/dbraw/zinc/23/34/65/1079233465.db2.gz PMZWLMMUYGHBKI-LJQANCHMSA-N 1 0 410.522 0.723 20 0 HCADRO CC(C)OCCN1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000671343745 1079233144 /nfs/dbraw/zinc/23/31/44/1079233144.db2.gz YEFXGHVFBKPMRK-FQEVSTJZSA-N 1 0 404.555 0.845 20 0 HCADRO CC(C)OCCN1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000671343746 1079233345 /nfs/dbraw/zinc/23/33/45/1079233345.db2.gz YEFXGHVFBKPMRK-HXUWFJFHSA-N 1 0 404.555 0.845 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3ccccc3-n3ccnc3)CC2)C1 ZINC000671343937 1079231224 /nfs/dbraw/zinc/23/12/24/1079231224.db2.gz KIKBGSGBANNGGN-IBGZPJMESA-N 1 0 410.522 0.727 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3ccccc3-n3ccnc3)CC2)C1 ZINC000671343938 1079231026 /nfs/dbraw/zinc/23/10/26/1079231026.db2.gz KIKBGSGBANNGGN-LJQANCHMSA-N 1 0 410.522 0.727 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3ccccc3-n3ccnc3)C2)CC1 ZINC000671343953 1079233236 /nfs/dbraw/zinc/23/32/36/1079233236.db2.gz PFNXGYWZHJDAEN-GOSISDBHSA-N 1 0 410.522 0.773 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3ccccc3-n3ccnc3)C2)CC1 ZINC000671343954 1079233109 /nfs/dbraw/zinc/23/31/09/1079233109.db2.gz PFNXGYWZHJDAEN-SFHVURJKSA-N 1 0 410.522 0.773 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000671344265 1079230720 /nfs/dbraw/zinc/23/07/20/1079230720.db2.gz VYPUWQQAIMGZTB-IBGZPJMESA-N 1 0 418.538 0.277 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000671344266 1079231110 /nfs/dbraw/zinc/23/11/10/1079231110.db2.gz VYPUWQQAIMGZTB-LJQANCHMSA-N 1 0 418.538 0.277 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCCOCCc3ccccc3)CC2)C1 ZINC000671344354 1079233847 /nfs/dbraw/zinc/23/38/47/1079233847.db2.gz IUIBDGUQSQEBIM-NRFANRHFSA-N 1 0 416.566 0.990 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCOCCc3ccccc3)CC2)C1 ZINC000671344355 1079234077 /nfs/dbraw/zinc/23/40/77/1079234077.db2.gz IUIBDGUQSQEBIM-OAQYLSRUSA-N 1 0 416.566 0.990 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccccc1N1CCCC1 ZINC000671345270 1079232625 /nfs/dbraw/zinc/23/26/25/1079232625.db2.gz RDDPDHOYESGSOJ-UHFFFAOYSA-N 1 0 401.555 0.999 20 0 HCADRO CN(C(=O)C(=O)NCc1cccc2c1OCO2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671351509 1080071628 /nfs/dbraw/zinc/07/16/28/1080071628.db2.gz KKNIYLRWZNXNQK-KRWDZBQOSA-N 1 0 402.495 0.658 20 0 HCADRO CN(C(=O)C(=O)NCc1cccc2c1OCO2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671351510 1080071672 /nfs/dbraw/zinc/07/16/72/1080071672.db2.gz KKNIYLRWZNXNQK-QGZVFWFLSA-N 1 0 402.495 0.658 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3cccc4c3OCCCO4)C2)CC1 ZINC000671352027 1080079499 /nfs/dbraw/zinc/07/94/99/1080079499.db2.gz SHQDDBKEXLVDIL-KRWDZBQOSA-N 1 0 416.522 0.749 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3cccc4c3OCCCO4)C2)CC1 ZINC000671352028 1079236871 /nfs/dbraw/zinc/23/68/71/1079236871.db2.gz SHQDDBKEXLVDIL-QGZVFWFLSA-N 1 0 416.522 0.749 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3cccc4c3OCCCO4)CC2)C1 ZINC000671352043 1079237063 /nfs/dbraw/zinc/23/70/63/1079237063.db2.gz ZDGCIVUEBCFVRD-GOSISDBHSA-N 1 0 416.522 0.703 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3cccc4c3OCCCO4)CC2)C1 ZINC000671352044 1079236947 /nfs/dbraw/zinc/23/69/47/1079236947.db2.gz ZDGCIVUEBCFVRD-SFHVURJKSA-N 1 0 416.522 0.703 20 0 HCADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)NCCn2cccn2)CC1 ZINC000671352602 1079237917 /nfs/dbraw/zinc/23/79/17/1079237917.db2.gz HPQODYRNLRCALC-UHFFFAOYSA-N 1 0 414.510 0.289 20 0 HCADRO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000671353134 1079238008 /nfs/dbraw/zinc/23/80/08/1079238008.db2.gz YJDBMUHLPCKTPI-INIZCTEOSA-N 1 0 404.559 0.923 20 0 HCADRO Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000671353135 1079237793 /nfs/dbraw/zinc/23/77/93/1079237793.db2.gz YJDBMUHLPCKTPI-MRXNPFEDSA-N 1 0 404.559 0.923 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000671356305 1079239991 /nfs/dbraw/zinc/23/99/91/1079239991.db2.gz KZZSKRBJJWSXAY-KRWDZBQOSA-N 1 0 402.495 0.213 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000671356307 1079240035 /nfs/dbraw/zinc/24/00/35/1079240035.db2.gz KZZSKRBJJWSXAY-QGZVFWFLSA-N 1 0 402.495 0.213 20 0 HCADRO Cc1ccn2cc(CNC(=O)C(=O)N(C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)nc2c1 ZINC000671357870 1079241598 /nfs/dbraw/zinc/24/15/98/1079241598.db2.gz WUVIIWHMGMVCTJ-IBGZPJMESA-N 1 0 412.538 0.886 20 0 HCADRO Cc1ccn2cc(CNC(=O)C(=O)N(C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)nc2c1 ZINC000671357872 1079241338 /nfs/dbraw/zinc/24/13/38/1079241338.db2.gz WUVIIWHMGMVCTJ-LJQANCHMSA-N 1 0 412.538 0.886 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCC(=O)NC3CCCCC3)C2)CC1 ZINC000671359662 1079248488 /nfs/dbraw/zinc/24/84/88/1079248488.db2.gz AKCORYSUOBGLIG-KRWDZBQOSA-N 1 0 407.559 0.226 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCC(=O)NC3CCCCC3)C2)CC1 ZINC000671359665 1080253277 /nfs/dbraw/zinc/25/32/77/1080253277.db2.gz AKCORYSUOBGLIG-QGZVFWFLSA-N 1 0 407.559 0.226 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC(=O)NC3CCCCC3)CC2)C1 ZINC000671359732 1080255039 /nfs/dbraw/zinc/25/50/39/1080255039.db2.gz JYPSTZCGAWHHOO-GOSISDBHSA-N 1 0 407.559 0.180 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC(=O)NC3CCCCC3)CC2)C1 ZINC000671359733 1079247773 /nfs/dbraw/zinc/24/77/73/1079247773.db2.gz JYPSTZCGAWHHOO-SFHVURJKSA-N 1 0 407.559 0.180 20 0 HCADRO COc1ccc(CCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000671360621 1079249038 /nfs/dbraw/zinc/24/90/38/1079249038.db2.gz IAZOTDRCEFYSEU-IBGZPJMESA-N 1 0 402.539 0.982 20 0 HCADRO COc1ccc(CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000671360622 1079249072 /nfs/dbraw/zinc/24/90/72/1079249072.db2.gz IAZOTDRCEFYSEU-LJQANCHMSA-N 1 0 402.539 0.982 20 0 HCADRO Cc1nccc(CNC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)n1 ZINC000671361768 1079249772 /nfs/dbraw/zinc/24/97/72/1079249772.db2.gz PNDOSBOKQMGIKE-GOSISDBHSA-N 1 0 424.505 0.415 20 0 HCADRO Cc1nccc(CNC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000671361769 1079250046 /nfs/dbraw/zinc/25/00/46/1079250046.db2.gz PNDOSBOKQMGIKE-SFHVURJKSA-N 1 0 424.505 0.415 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000671362082 1079250615 /nfs/dbraw/zinc/25/06/15/1079250615.db2.gz VEYMYLBUWMVXPK-AWEZNQCLSA-N 1 0 411.300 0.506 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000671362083 1079250482 /nfs/dbraw/zinc/25/04/82/1079250482.db2.gz VEYMYLBUWMVXPK-CQSZACIVSA-N 1 0 411.300 0.506 20 0 HCADRO CCN(CCCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362557 1079252441 /nfs/dbraw/zinc/25/24/41/1079252441.db2.gz MVEKSNAFDZFJDX-GOSISDBHSA-N 1 0 424.567 0.507 20 0 HCADRO CCN(CCCNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362559 1079252376 /nfs/dbraw/zinc/25/23/76/1079252376.db2.gz MVEKSNAFDZFJDX-SFHVURJKSA-N 1 0 424.567 0.507 20 0 HCADRO CCN(CCCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362681 1079251872 /nfs/dbraw/zinc/25/18/72/1079251872.db2.gz KDALRSMPGJXZAK-AEFFLSMTSA-N 1 0 424.567 0.553 20 0 HCADRO CCN(CCCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362682 1079251907 /nfs/dbraw/zinc/25/19/07/1079251907.db2.gz KDALRSMPGJXZAK-FUHWJXTLSA-N 1 0 424.567 0.553 20 0 HCADRO CCN(CCCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362683 1079251820 /nfs/dbraw/zinc/25/18/20/1079251820.db2.gz KDALRSMPGJXZAK-SJLPKXTDSA-N 1 0 424.567 0.553 20 0 HCADRO CCN(CCCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362684 1079251604 /nfs/dbraw/zinc/25/16/04/1079251604.db2.gz KDALRSMPGJXZAK-WMZOPIPTSA-N 1 0 424.567 0.553 20 0 HCADRO CCN(CCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)S(C)(=O)=O ZINC000671362914 1079251069 /nfs/dbraw/zinc/25/10/69/1079251069.db2.gz MCGHUFMPZOMVIX-GOSISDBHSA-N 1 0 424.567 0.555 20 0 HCADRO CCN(CCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)S(C)(=O)=O ZINC000671362915 1079251741 /nfs/dbraw/zinc/25/17/41/1079251741.db2.gz MCGHUFMPZOMVIX-SFHVURJKSA-N 1 0 424.567 0.555 20 0 HCADRO C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671363901 1079254105 /nfs/dbraw/zinc/25/41/05/1079254105.db2.gz CUDRWOOPEXBFHU-AEFFLSMTSA-N 1 0 406.502 0.948 20 0 HCADRO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671363902 1080307659 /nfs/dbraw/zinc/30/76/59/1080307659.db2.gz CUDRWOOPEXBFHU-FUHWJXTLSA-N 1 0 406.502 0.948 20 0 HCADRO C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671363903 1079253620 /nfs/dbraw/zinc/25/36/20/1079253620.db2.gz CUDRWOOPEXBFHU-SJLPKXTDSA-N 1 0 406.502 0.948 20 0 HCADRO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671363904 1080307847 /nfs/dbraw/zinc/30/78/47/1080307847.db2.gz CUDRWOOPEXBFHU-WMZOPIPTSA-N 1 0 406.502 0.948 20 0 HCADRO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671363913 1079253801 /nfs/dbraw/zinc/25/38/01/1079253801.db2.gz GLMRSHVGFFXUDO-DOTOQJQBSA-N 1 0 406.502 0.994 20 0 HCADRO C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671363914 1079253870 /nfs/dbraw/zinc/25/38/70/1079253870.db2.gz GLMRSHVGFFXUDO-NVXWUHKLSA-N 1 0 406.502 0.994 20 0 HCADRO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671363915 1079254030 /nfs/dbraw/zinc/25/40/30/1079254030.db2.gz GLMRSHVGFFXUDO-RDJZCZTQSA-N 1 0 406.502 0.994 20 0 HCADRO C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671363916 1079253939 /nfs/dbraw/zinc/25/39/39/1079253939.db2.gz GLMRSHVGFFXUDO-WBVHZDCISA-N 1 0 406.502 0.994 20 0 HCADRO COCCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671368802 1079260168 /nfs/dbraw/zinc/26/01/68/1079260168.db2.gz FHUSXZWYSBWUNX-GOSISDBHSA-N 1 0 418.538 0.613 20 0 HCADRO COCCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671368806 1079260254 /nfs/dbraw/zinc/26/02/54/1079260254.db2.gz FHUSXZWYSBWUNX-SFHVURJKSA-N 1 0 418.538 0.613 20 0 HCADRO COCCOc1ccccc1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671368938 1079260119 /nfs/dbraw/zinc/26/01/19/1079260119.db2.gz UMEDSHQYAMSUJW-IBGZPJMESA-N 1 0 418.538 0.566 20 0 HCADRO COCCOc1ccccc1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671368944 1079260301 /nfs/dbraw/zinc/26/03/01/1079260301.db2.gz UMEDSHQYAMSUJW-LJQANCHMSA-N 1 0 418.538 0.566 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000671370574 1079265897 /nfs/dbraw/zinc/26/58/97/1079265897.db2.gz FUQQXRVBGPTPHZ-HRAATJIYSA-N 1 0 410.559 0.614 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000671370576 1079265590 /nfs/dbraw/zinc/26/55/90/1079265590.db2.gz FUQQXRVBGPTPHZ-IERDGZPVSA-N 1 0 410.559 0.614 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000671370577 1079265803 /nfs/dbraw/zinc/26/58/03/1079265803.db2.gz FUQQXRVBGPTPHZ-IIBYNOLFSA-N 1 0 410.559 0.614 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000671370579 1079265811 /nfs/dbraw/zinc/26/58/11/1079265811.db2.gz FUQQXRVBGPTPHZ-KKSFZXQISA-N 1 0 410.559 0.614 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3cccc(Cn4cccn4)c3)C2)CC1 ZINC000671370752 1079265679 /nfs/dbraw/zinc/26/56/79/1079265679.db2.gz ITPIMSJPSQNDBC-FQEVSTJZSA-N 1 0 424.549 0.832 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3cccc(Cn4cccn4)c3)C2)CC1 ZINC000671370756 1079265820 /nfs/dbraw/zinc/26/58/20/1079265820.db2.gz ITPIMSJPSQNDBC-HXUWFJFHSA-N 1 0 424.549 0.832 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3cccc(Cn4cccn4)c3)CC2)C1 ZINC000671370800 1079265605 /nfs/dbraw/zinc/26/56/05/1079265605.db2.gz UQQXBHBQKCVANV-NRFANRHFSA-N 1 0 424.549 0.786 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3cccc(Cn4cccn4)c3)CC2)C1 ZINC000671370802 1079265859 /nfs/dbraw/zinc/26/58/59/1079265859.db2.gz UQQXBHBQKCVANV-OAQYLSRUSA-N 1 0 424.549 0.786 20 0 HCADRO CCN1C[C@@H](CN(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)Oc2ccccc21 ZINC000671373614 1079270290 /nfs/dbraw/zinc/27/02/90/1079270290.db2.gz MVKXHDNTEGJFRD-GOSISDBHSA-N 1 0 418.538 0.959 20 0 HCADRO CCN1C[C@H](CN(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)Oc2ccccc21 ZINC000671373615 1079270480 /nfs/dbraw/zinc/27/04/80/1079270480.db2.gz MVKXHDNTEGJFRD-SFHVURJKSA-N 1 0 418.538 0.959 20 0 HCADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000671373641 1079270402 /nfs/dbraw/zinc/27/04/02/1079270402.db2.gz YOWMYRPDGPNDEO-INIZCTEOSA-N 1 0 410.465 0.887 20 0 HCADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000671373642 1079270343 /nfs/dbraw/zinc/27/03/43/1079270343.db2.gz YOWMYRPDGPNDEO-MRXNPFEDSA-N 1 0 410.465 0.887 20 0 HCADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nccc(C(C)C)n3)CC2)CC1 ZINC000671374291 1079268549 /nfs/dbraw/zinc/26/85/49/1079268549.db2.gz UBZSHYPBDYTNPR-UHFFFAOYSA-N 1 0 418.542 0.476 20 0 HCADRO COCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)nc2N2CCCC2)CC1 ZINC000671374816 1079271003 /nfs/dbraw/zinc/27/10/03/1079271003.db2.gz BJPVXMNOYITEDM-UHFFFAOYSA-N 1 0 403.527 0.833 20 0 HCADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC(=O)NC3CCCC3)CC2)CC1 ZINC000671375283 1079270581 /nfs/dbraw/zinc/27/05/81/1079270581.db2.gz OFDRYTVOOHLXSQ-UHFFFAOYSA-N 1 0 422.570 0.901 20 0 HCADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CC1 ZINC000671375729 1079271923 /nfs/dbraw/zinc/27/19/23/1079271923.db2.gz DYEVLUGEQPMVFR-UHFFFAOYSA-N 1 0 418.513 0.887 20 0 HCADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC1 ZINC000671376019 1079271188 /nfs/dbraw/zinc/27/11/88/1079271188.db2.gz 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CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000671404996 1079288043 /nfs/dbraw/zinc/28/80/43/1079288043.db2.gz CJRFXJGYXSRKSL-MRXNPFEDSA-N 1 0 410.540 0.542 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000671406202 1079288530 /nfs/dbraw/zinc/28/85/30/1079288530.db2.gz ODTWMEWHXJFLCN-CALCHBBNSA-N 1 0 424.586 0.860 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000671406203 1079288733 /nfs/dbraw/zinc/28/87/33/1079288733.db2.gz ODTWMEWHXJFLCN-IAGOWNOFSA-N 1 0 424.586 0.860 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000671406204 1079288706 /nfs/dbraw/zinc/28/87/06/1079288706.db2.gz ODTWMEWHXJFLCN-IRXDYDNUSA-N 1 0 424.586 0.860 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000671406758 1079290031 /nfs/dbraw/zinc/29/00/31/1079290031.db2.gz YIOBMCKQNHQILD-BBWFWOEESA-N 1 0 410.559 0.470 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000671406759 1079290167 /nfs/dbraw/zinc/29/01/67/1079290167.db2.gz YIOBMCKQNHQILD-BRWVUGGUSA-N 1 0 410.559 0.470 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000671406760 1079289998 /nfs/dbraw/zinc/28/99/98/1079289998.db2.gz YIOBMCKQNHQILD-IXDOHACOSA-N 1 0 410.559 0.470 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000671406761 1079290929 /nfs/dbraw/zinc/29/09/29/1079290929.db2.gz YIOBMCKQNHQILD-YESZJQIVSA-N 1 0 410.559 0.470 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000671407460 1079290651 /nfs/dbraw/zinc/29/06/51/1079290651.db2.gz PMVZVTARUAPYPS-INIZCTEOSA-N 1 0 410.559 0.614 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000671407461 1079290809 /nfs/dbraw/zinc/29/08/09/1079290809.db2.gz PMVZVTARUAPYPS-MRXNPFEDSA-N 1 0 410.559 0.614 20 0 HCADRO Cc1occc1CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000671408836 1079291275 /nfs/dbraw/zinc/29/12/75/1079291275.db2.gz XCVBWNVSDFITJN-UHFFFAOYSA-N 1 0 400.483 0.713 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000671415009 1079296962 /nfs/dbraw/zinc/29/69/62/1079296962.db2.gz VBESGPHIFJVFLA-CGTJXYLNSA-N 1 0 422.551 0.478 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000671415012 1079296526 /nfs/dbraw/zinc/29/65/26/1079296526.db2.gz VBESGPHIFJVFLA-KBAYOESNSA-N 1 0 422.551 0.478 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000671415014 1079296368 /nfs/dbraw/zinc/29/63/68/1079296368.db2.gz VBESGPHIFJVFLA-RYQLBKOJSA-N 1 0 422.551 0.478 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000671417479 1079306491 /nfs/dbraw/zinc/30/64/91/1079306491.db2.gz MQJYTMOZKIRRPW-GDBMZVCRSA-N 1 0 410.540 0.763 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000671417480 1079306406 /nfs/dbraw/zinc/30/64/06/1079306406.db2.gz MQJYTMOZKIRRPW-GOEBONIOSA-N 1 0 410.540 0.763 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000671417481 1079306523 /nfs/dbraw/zinc/30/65/23/1079306523.db2.gz MQJYTMOZKIRRPW-HOCLYGCPSA-N 1 0 410.540 0.763 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000671417482 1079306602 /nfs/dbraw/zinc/30/66/02/1079306602.db2.gz MQJYTMOZKIRRPW-ZBFHGGJFSA-N 1 0 410.540 0.763 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000671417689 1079305515 /nfs/dbraw/zinc/30/55/15/1079305515.db2.gz CDFZBSDMFDXTME-BBRMVZONSA-N 1 0 408.524 0.372 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000671417690 1079305542 /nfs/dbraw/zinc/30/55/42/1079305542.db2.gz CDFZBSDMFDXTME-CJNGLKHVSA-N 1 0 408.524 0.372 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000671417691 1079305674 /nfs/dbraw/zinc/30/56/74/1079305674.db2.gz CDFZBSDMFDXTME-CZUORRHYSA-N 1 0 408.524 0.372 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000671417692 1079305751 /nfs/dbraw/zinc/30/57/51/1079305751.db2.gz CDFZBSDMFDXTME-XJKSGUPXSA-N 1 0 408.524 0.372 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000671417732 1079305605 /nfs/dbraw/zinc/30/56/05/1079305605.db2.gz AMKZZLWJTHHAJB-KBPBESRZSA-N 1 0 410.540 0.618 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000671417735 1079306061 /nfs/dbraw/zinc/30/60/61/1079306061.db2.gz AMKZZLWJTHHAJB-KGLIPLIRSA-N 1 0 410.540 0.618 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000671417737 1079306131 /nfs/dbraw/zinc/30/61/31/1079306131.db2.gz AMKZZLWJTHHAJB-UONOGXRCSA-N 1 0 410.540 0.618 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000671417739 1079306108 /nfs/dbraw/zinc/30/61/08/1079306108.db2.gz AMKZZLWJTHHAJB-ZIAGYGMSSA-N 1 0 410.540 0.618 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000671417803 1079305281 /nfs/dbraw/zinc/30/52/81/1079305281.db2.gz ANGYXACMVPZPQM-GDBMZVCRSA-N 1 0 410.540 0.761 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000671417805 1079305129 /nfs/dbraw/zinc/30/51/29/1079305129.db2.gz ANGYXACMVPZPQM-GOEBONIOSA-N 1 0 410.540 0.761 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000671417806 1079305193 /nfs/dbraw/zinc/30/51/93/1079305193.db2.gz ANGYXACMVPZPQM-HOCLYGCPSA-N 1 0 410.540 0.761 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000671417807 1079305626 /nfs/dbraw/zinc/30/56/26/1079305626.db2.gz ANGYXACMVPZPQM-ZBFHGGJFSA-N 1 0 410.540 0.761 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000671419144 1079306969 /nfs/dbraw/zinc/30/69/69/1079306969.db2.gz BANLZTOQGYABFK-GOSISDBHSA-N 1 0 408.930 0.728 20 0 HCADRO C[N@H+](CCNC(=O)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000671419145 1079307104 /nfs/dbraw/zinc/30/71/04/1079307104.db2.gz BANLZTOQGYABFK-SFHVURJKSA-N 1 0 408.930 0.728 20 0 HCADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000671425912 1079323730 /nfs/dbraw/zinc/32/37/30/1079323730.db2.gz XCSXRLDXBDTNLD-KRWDZBQOSA-N 1 0 410.540 0.341 20 0 HCADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000671425915 1079323699 /nfs/dbraw/zinc/32/36/99/1079323699.db2.gz XCSXRLDXBDTNLD-QGZVFWFLSA-N 1 0 410.540 0.341 20 0 HCADRO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671647748 1079581894 /nfs/dbraw/zinc/58/18/94/1079581894.db2.gz XDAWIJIBALUQIS-UHFFFAOYSA-N 1 0 400.464 0.585 20 0 HCADRO CNS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000671654006 1079584398 /nfs/dbraw/zinc/58/43/98/1079584398.db2.gz LKJSCONZDGGJGU-UHFFFAOYSA-N 1 0 411.528 0.093 20 0 HCADRO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000671672503 1079707848 /nfs/dbraw/zinc/70/78/48/1079707848.db2.gz DCBBWTBRIFANGO-HNNXBMFYSA-N 1 0 421.523 0.555 20 0 HCADRO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000671672504 1079708018 /nfs/dbraw/zinc/70/80/18/1079708018.db2.gz DCBBWTBRIFANGO-OAHLLOKOSA-N 1 0 421.523 0.555 20 0 HCADRO COCCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000671675623 1079740145 /nfs/dbraw/zinc/74/01/45/1079740145.db2.gz HWJCMRKBLZAYSY-GOSISDBHSA-N 1 0 424.567 0.463 20 0 HCADRO COCCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000671675624 1079740899 /nfs/dbraw/zinc/74/08/99/1079740899.db2.gz HWJCMRKBLZAYSY-SFHVURJKSA-N 1 0 424.567 0.463 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)CC1 ZINC000671721205 1079908216 /nfs/dbraw/zinc/90/82/16/1079908216.db2.gz PDILUTAZTPSDTQ-AWEZNQCLSA-N 1 0 420.539 0.126 20 0 HCADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)CC1 ZINC000671721206 1079908345 /nfs/dbraw/zinc/90/83/45/1079908345.db2.gz PDILUTAZTPSDTQ-CQSZACIVSA-N 1 0 420.539 0.126 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)C1 ZINC000671726748 1079928202 /nfs/dbraw/zinc/92/82/02/1079928202.db2.gz LIIZDXKMHWVRTC-HNNXBMFYSA-N 1 0 420.539 0.080 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)C1 ZINC000671726749 1079929111 /nfs/dbraw/zinc/92/91/11/1079929111.db2.gz LIIZDXKMHWVRTC-OAHLLOKOSA-N 1 0 420.539 0.080 20 0 HCADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000671727425 1079928253 /nfs/dbraw/zinc/92/82/53/1079928253.db2.gz KYIIPDYTCKYGRV-CYBMUJFWSA-N 1 0 413.316 0.994 20 0 HCADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000671727426 1079928383 /nfs/dbraw/zinc/92/83/83/1079928383.db2.gz 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O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000671816177 1080037058 /nfs/dbraw/zinc/03/70/58/1080037058.db2.gz LDABLVPACADMES-INIZCTEOSA-N 1 0 404.898 0.977 20 0 HCADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000671816180 1080037096 /nfs/dbraw/zinc/03/70/96/1080037096.db2.gz LDABLVPACADMES-MRXNPFEDSA-N 1 0 404.898 0.977 20 0 HCADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000671817208 1080037270 /nfs/dbraw/zinc/03/72/70/1080037270.db2.gz FCNYBMKEDSDNNG-HNNXBMFYSA-N 1 0 406.508 0.196 20 0 HCADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000671817209 1080037125 /nfs/dbraw/zinc/03/71/25/1080037125.db2.gz FCNYBMKEDSDNNG-OAHLLOKOSA-N 1 0 406.508 0.196 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000671819752 1080038228 /nfs/dbraw/zinc/03/82/28/1080038228.db2.gz SIUJNDZDWGUJGW-CRAIPNDOSA-N 1 0 410.946 0.974 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000671819754 1080038124 /nfs/dbraw/zinc/03/81/24/1080038124.db2.gz SIUJNDZDWGUJGW-MAUKXSAKSA-N 1 0 410.946 0.974 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000671819755 1080038273 /nfs/dbraw/zinc/03/82/73/1080038273.db2.gz SIUJNDZDWGUJGW-QAPCUYQASA-N 1 0 410.946 0.974 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000671819757 1080038166 /nfs/dbraw/zinc/03/81/66/1080038166.db2.gz SIUJNDZDWGUJGW-YJBOKZPZSA-N 1 0 410.946 0.974 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000671820291 1080039801 /nfs/dbraw/zinc/03/98/01/1080039801.db2.gz FQKPRRBXEQHPJI-NZSAHSFTSA-N 1 0 415.538 0.158 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000671820292 1080039908 /nfs/dbraw/zinc/03/99/08/1080039908.db2.gz FQKPRRBXEQHPJI-WDSOQIARSA-N 1 0 415.538 0.158 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000671820293 1080040019 /nfs/dbraw/zinc/04/00/19/1080040019.db2.gz FQKPRRBXEQHPJI-YTQUADARSA-N 1 0 415.538 0.158 20 0 HCADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000671820858 1080040418 /nfs/dbraw/zinc/04/04/18/1080040418.db2.gz GNSXCGHLJZFMHA-INIZCTEOSA-N 1 0 410.540 0.366 20 0 HCADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000671820862 1080040352 /nfs/dbraw/zinc/04/03/52/1080040352.db2.gz GNSXCGHLJZFMHA-MRXNPFEDSA-N 1 0 410.540 0.366 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000671821194 1080040454 /nfs/dbraw/zinc/04/04/54/1080040454.db2.gz OQETWCHQEOJSIH-IBGZPJMESA-N 1 0 418.538 0.566 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000671821195 1080040245 /nfs/dbraw/zinc/04/02/45/1080040245.db2.gz OQETWCHQEOJSIH-LJQANCHMSA-N 1 0 418.538 0.566 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000671821468 1080040511 /nfs/dbraw/zinc/04/05/11/1080040511.db2.gz BGQWEAHWFSOXGQ-MOPGFXCFSA-N 1 0 405.495 0.650 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000671821469 1080040365 /nfs/dbraw/zinc/04/03/65/1080040365.db2.gz BGQWEAHWFSOXGQ-OALUTQOASA-N 1 0 405.495 0.650 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000671821470 1080040376 /nfs/dbraw/zinc/04/03/76/1080040376.db2.gz BGQWEAHWFSOXGQ-RBUKOAKNSA-N 1 0 405.495 0.650 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000671821471 1080040479 /nfs/dbraw/zinc/04/04/79/1080040479.db2.gz BGQWEAHWFSOXGQ-RTBURBONSA-N 1 0 405.495 0.650 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000671821529 1080040405 /nfs/dbraw/zinc/04/04/05/1080040405.db2.gz YVZGQDGEDBOGBW-UHFFFAOYSA-N 1 0 416.400 0.434 20 0 HCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCc1ncnn1C(C)(C)C 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BYANKPHSVJYTEG-GOSISDBHSA-N 1 0 404.511 0.224 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1 ZINC000671822528 1080042254 /nfs/dbraw/zinc/04/22/54/1080042254.db2.gz BYANKPHSVJYTEG-SFHVURJKSA-N 1 0 404.511 0.224 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CN(C)CCO1 ZINC000671823449 1080044164 /nfs/dbraw/zinc/04/41/64/1080044164.db2.gz YWOFQSICEHOGPQ-BQFCYCMXSA-N 1 0 408.568 0.912 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CN(C)CCO1 ZINC000671823450 1080044219 /nfs/dbraw/zinc/04/42/19/1080044219.db2.gz YWOFQSICEHOGPQ-JZXOWHBKSA-N 1 0 408.568 0.912 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CN(C)CCO1 ZINC000671823451 1080043898 /nfs/dbraw/zinc/04/38/98/1080043898.db2.gz YWOFQSICEHOGPQ-LZLYRXPVSA-N 1 0 408.568 0.912 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CN(C)CCO1 ZINC000671823452 1080044064 /nfs/dbraw/zinc/04/40/64/1080044064.db2.gz YWOFQSICEHOGPQ-XYJFISCASA-N 1 0 408.568 0.912 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CN(C)CCO1 ZINC000671823854 1080045496 /nfs/dbraw/zinc/04/54/96/1080045496.db2.gz HHQPXFVSWJNGTJ-CRAIPNDOSA-N 1 0 408.568 0.912 20 0 HCADRO C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CN(C)CCO1 ZINC000671823855 1080045237 /nfs/dbraw/zinc/04/52/37/1080045237.db2.gz HHQPXFVSWJNGTJ-MAUKXSAKSA-N 1 0 408.568 0.912 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CN(C)CCO1 ZINC000671823856 1080045098 /nfs/dbraw/zinc/04/50/98/1080045098.db2.gz HHQPXFVSWJNGTJ-QAPCUYQASA-N 1 0 408.568 0.912 20 0 HCADRO C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CN(C)CCO1 ZINC000671823857 1080045426 /nfs/dbraw/zinc/04/54/26/1080045426.db2.gz HHQPXFVSWJNGTJ-YJBOKZPZSA-N 1 0 408.568 0.912 20 0 HCADRO COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CCNC(=O)C[C@@H]3C)CC2)cc1 ZINC000671824015 1080045823 /nfs/dbraw/zinc/04/58/23/1080045823.db2.gz IFXGUIMCJMTXDT-INIZCTEOSA-N 1 0 416.522 0.760 20 0 HCADRO COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CCNC(=O)C[C@H]3C)CC2)cc1 ZINC000671824016 1080045932 /nfs/dbraw/zinc/04/59/32/1080045932.db2.gz IFXGUIMCJMTXDT-MRXNPFEDSA-N 1 0 416.522 0.760 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000671828087 1080050100 /nfs/dbraw/zinc/05/01/00/1080050100.db2.gz PHEJDGQOQQQVFL-GDBMZVCRSA-N 1 0 409.481 0.269 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000671828090 1080050196 /nfs/dbraw/zinc/05/01/96/1080050196.db2.gz PHEJDGQOQQQVFL-GOEBONIOSA-N 1 0 409.481 0.269 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000671828092 1080050238 /nfs/dbraw/zinc/05/02/38/1080050238.db2.gz PHEJDGQOQQQVFL-HOCLYGCPSA-N 1 0 409.481 0.269 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000671828093 1080050141 /nfs/dbraw/zinc/05/01/41/1080050141.db2.gz PHEJDGQOQQQVFL-ZBFHGGJFSA-N 1 0 409.481 0.269 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000671829828 1080051217 /nfs/dbraw/zinc/05/12/17/1080051217.db2.gz YRTPUMMJVKGXJH-HNNXBMFYSA-N 1 0 412.481 0.944 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000671829829 1080051135 /nfs/dbraw/zinc/05/11/35/1080051135.db2.gz YRTPUMMJVKGXJH-OAHLLOKOSA-N 1 0 412.481 0.944 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000671830064 1080051083 /nfs/dbraw/zinc/05/10/83/1080051083.db2.gz IKOGFUVZDBGUBE-CABCVRRESA-N 1 0 410.465 0.744 20 0 HCADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000671830065 1080051258 /nfs/dbraw/zinc/05/12/58/1080051258.db2.gz IKOGFUVZDBGUBE-GJZGRUSLSA-N 1 0 410.465 0.744 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000671830066 1080051317 /nfs/dbraw/zinc/05/13/17/1080051317.db2.gz IKOGFUVZDBGUBE-HUUCEWRRSA-N 1 0 410.465 0.744 20 0 HCADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000671830067 1080051164 /nfs/dbraw/zinc/05/11/64/1080051164.db2.gz IKOGFUVZDBGUBE-LSDHHAIUSA-N 1 0 410.465 0.744 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000671833756 1080052739 /nfs/dbraw/zinc/05/27/39/1080052739.db2.gz YXAUTDYPMXDRAK-CRAIPNDOSA-N 1 0 407.946 0.645 20 0 HCADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000671833757 1080052512 /nfs/dbraw/zinc/05/25/12/1080052512.db2.gz YXAUTDYPMXDRAK-MAUKXSAKSA-N 1 0 407.946 0.645 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000671833758 1080052782 /nfs/dbraw/zinc/05/27/82/1080052782.db2.gz YXAUTDYPMXDRAK-QAPCUYQASA-N 1 0 407.946 0.645 20 0 HCADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000671833759 1080052712 /nfs/dbraw/zinc/05/27/12/1080052712.db2.gz YXAUTDYPMXDRAK-YJBOKZPZSA-N 1 0 407.946 0.645 20 0 HCADRO O=C(NCCCS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671847981 1080062974 /nfs/dbraw/zinc/06/29/74/1080062974.db2.gz ADLQJLSPNURZJV-UHFFFAOYSA-N 1 0 416.503 0.710 20 0 HCADRO C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000671849324 1080063374 /nfs/dbraw/zinc/06/33/74/1080063374.db2.gz AJPOXUHMWATNEN-INIZCTEOSA-N 1 0 401.511 0.329 20 0 HCADRO C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000671849325 1080063675 /nfs/dbraw/zinc/06/36/75/1080063675.db2.gz AJPOXUHMWATNEN-MRXNPFEDSA-N 1 0 401.511 0.329 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000671849797 1080063411 /nfs/dbraw/zinc/06/34/11/1080063411.db2.gz DLSHKUFSVQZFSC-UHFFFAOYSA-N 1 0 410.540 0.547 20 0 HCADRO C[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000671850015 1080063834 /nfs/dbraw/zinc/06/38/34/1080063834.db2.gz OBVBFEZSLILUSB-UHFFFAOYSA-N 1 0 422.551 0.691 20 0 HCADRO CN(C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671850235 1080064115 /nfs/dbraw/zinc/06/41/15/1080064115.db2.gz OTYWAGVSZOLKGA-GDBMZVCRSA-N 1 0 419.492 0.366 20 0 HCADRO CN(C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671850237 1080063596 /nfs/dbraw/zinc/06/35/96/1080063596.db2.gz OTYWAGVSZOLKGA-HOCLYGCPSA-N 1 0 419.492 0.366 20 0 HCADRO CN(C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671850238 1080063439 /nfs/dbraw/zinc/06/34/39/1080063439.db2.gz OTYWAGVSZOLKGA-ZBFHGGJFSA-N 1 0 419.492 0.366 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671851186 1080063852 /nfs/dbraw/zinc/06/38/52/1080063852.db2.gz GGFVTFRTVAZFKN-KBPBESRZSA-N 1 0 405.465 0.024 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671851187 1080064528 /nfs/dbraw/zinc/06/45/28/1080064528.db2.gz GGFVTFRTVAZFKN-KGLIPLIRSA-N 1 0 405.465 0.024 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671851188 1080064434 /nfs/dbraw/zinc/06/44/34/1080064434.db2.gz GGFVTFRTVAZFKN-UONOGXRCSA-N 1 0 405.465 0.024 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671851189 1080064643 /nfs/dbraw/zinc/06/46/43/1080064643.db2.gz GGFVTFRTVAZFKN-ZIAGYGMSSA-N 1 0 405.465 0.024 20 0 HCADRO O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671853551 1080065432 /nfs/dbraw/zinc/06/54/32/1080065432.db2.gz RCLMAZWVUSJGNG-PMACEKPBSA-N 1 0 418.513 0.916 20 0 HCADRO O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671853552 1080065494 /nfs/dbraw/zinc/06/54/94/1080065494.db2.gz RCLMAZWVUSJGNG-UXHICEINSA-N 1 0 418.513 0.916 20 0 HCADRO O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671853553 1080065304 /nfs/dbraw/zinc/06/53/04/1080065304.db2.gz RCLMAZWVUSJGNG-VQTJNVASSA-N 1 0 418.513 0.916 20 0 HCADRO O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671853554 1080065363 /nfs/dbraw/zinc/06/53/63/1080065363.db2.gz RCLMAZWVUSJGNG-WOJBJXKFSA-N 1 0 418.513 0.916 20 0 HCADRO CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC2)cc1 ZINC000671860213 1080069062 /nfs/dbraw/zinc/06/90/62/1080069062.db2.gz WKQXPYBSJCQNDY-UHFFFAOYSA-N 1 0 424.567 0.585 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCOCC3(CCCC3)C2)CC1 ZINC000671869031 1080084282 /nfs/dbraw/zinc/08/42/82/1080084282.db2.gz PNSPAZJEXVJWPK-UHFFFAOYSA-N 1 0 415.538 0.869 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000671869033 1080084174 /nfs/dbraw/zinc/08/41/74/1080084174.db2.gz PPPOLAGGRUKSOG-UHFFFAOYSA-N 1 0 410.522 0.939 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCc3ccc(O)cc3C2)CC1 ZINC000671869047 1080084569 /nfs/dbraw/zinc/08/45/69/1080084569.db2.gz RZTYMYUMGNEPMC-UHFFFAOYSA-N 1 0 409.490 0.740 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCOc3ccccc3C2)CC1 ZINC000671869067 1080084498 /nfs/dbraw/zinc/08/44/98/1080084498.db2.gz WIGHIWVHYABISE-UHFFFAOYSA-N 1 0 409.490 0.871 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000671869150 1080081018 /nfs/dbraw/zinc/08/10/18/1080081018.db2.gz NSZDCKOUJRUKRW-KRWDZBQOSA-N 1 0 411.510 0.579 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000671869151 1080080765 /nfs/dbraw/zinc/08/07/65/1080080765.db2.gz NSZDCKOUJRUKRW-QGZVFWFLSA-N 1 0 411.510 0.579 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671869162 1080081037 /nfs/dbraw/zinc/08/10/37/1080081037.db2.gz SFANHIKDLPZPGO-UHFFFAOYSA-N 1 0 424.496 0.295 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCO[C@@H](c3ccco3)C2)CC1 ZINC000671869172 1080081476 /nfs/dbraw/zinc/08/14/76/1080081476.db2.gz WPXBYWKHTDNZFX-GOSISDBHSA-N 1 0 413.478 0.643 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCO[C@H](c3ccco3)C2)CC1 ZINC000671869173 1080081620 /nfs/dbraw/zinc/08/16/20/1080081620.db2.gz WPXBYWKHTDNZFX-SFHVURJKSA-N 1 0 413.478 0.643 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000671869174 1080081643 /nfs/dbraw/zinc/08/16/43/1080081643.db2.gz XMILFWDGPBHLLM-GOSISDBHSA-N 1 0 423.521 0.240 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000671869175 1080081355 /nfs/dbraw/zinc/08/13/55/1080081355.db2.gz XMILFWDGPBHLLM-SFHVURJKSA-N 1 0 423.521 0.240 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCc2ccc(Cl)cn2)CC1 ZINC000671869181 1080081507 /nfs/dbraw/zinc/08/15/07/1080081507.db2.gz ACIKQZHVZCCHQE-UHFFFAOYSA-N 1 0 402.886 0.814 20 0 HCADRO CC(C)c1cc(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)on1 ZINC000671869304 1080080797 /nfs/dbraw/zinc/08/07/97/1080080797.db2.gz IZEKIFLUIWRNLR-UHFFFAOYSA-N 1 0 400.483 0.877 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@H](OC(F)F)C2)CC1 ZINC000671869327 1080081059 /nfs/dbraw/zinc/08/10/59/1080081059.db2.gz RISLXXXDYAPASR-HNNXBMFYSA-N 1 0 411.453 0.680 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@@H](OC(F)F)C2)CC1 ZINC000671869328 1080080743 /nfs/dbraw/zinc/08/07/43/1080080743.db2.gz RISLXXXDYAPASR-OAHLLOKOSA-N 1 0 411.453 0.680 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000671869434 1080083240 /nfs/dbraw/zinc/08/32/40/1080083240.db2.gz YZEVTVXDCFUMBQ-IBGZPJMESA-N 1 0 422.533 0.936 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000671869437 1080083311 /nfs/dbraw/zinc/08/33/11/1080083311.db2.gz YZEVTVXDCFUMBQ-LJQANCHMSA-N 1 0 422.533 0.936 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000671869440 1080083276 /nfs/dbraw/zinc/08/32/76/1080083276.db2.gz QQQFQFPEGZKVJL-FQEVSTJZSA-N 1 0 422.533 0.753 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000671869441 1080083752 /nfs/dbraw/zinc/08/37/52/1080083752.db2.gz QQQFQFPEGZKVJL-HXUWFJFHSA-N 1 0 422.533 0.753 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000671869458 1080083856 /nfs/dbraw/zinc/08/38/56/1080083856.db2.gz XKXZIGMVZDOFPX-UHFFFAOYSA-N 1 0 410.478 0.135 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCOC[C@H]2c2ccco2)CC1 ZINC000671869460 1080083835 /nfs/dbraw/zinc/08/38/35/1080083835.db2.gz XXZBLCXHRSZLSQ-KRWDZBQOSA-N 1 0 413.478 0.643 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCOC[C@@H]2c2ccco2)CC1 ZINC000671869461 1080083598 /nfs/dbraw/zinc/08/35/98/1080083598.db2.gz XXZBLCXHRSZLSQ-QGZVFWFLSA-N 1 0 413.478 0.643 20 0 HCADRO Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000671869516 1080082810 /nfs/dbraw/zinc/08/28/10/1080082810.db2.gz SORPLGCWBWBFMJ-CYBMUJFWSA-N 1 0 400.483 0.932 20 0 HCADRO Cc1noc(C)c1[C@H](C)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000671869517 1080081932 /nfs/dbraw/zinc/08/19/32/1080081932.db2.gz SORPLGCWBWBFMJ-ZDUSSCGKSA-N 1 0 400.483 0.932 20 0 HCADRO Cc1ccc(CN(CCO)C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)o1 ZINC000671869531 1080082670 /nfs/dbraw/zinc/08/26/70/1080082670.db2.gz ALUOSISTHQQAGU-UHFFFAOYSA-N 1 0 415.494 0.372 20 0 HCADRO COC[C@H]1CCCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000671869560 1080082582 /nfs/dbraw/zinc/08/25/82/1080082582.db2.gz QXRCGGNUQNZKAQ-KRWDZBQOSA-N 1 0 403.527 0.725 20 0 HCADRO COC[C@@H]1CCCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000671869561 1080082793 /nfs/dbraw/zinc/08/27/93/1080082793.db2.gz QXRCGGNUQNZKAQ-QGZVFWFLSA-N 1 0 403.527 0.725 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000671869574 1080082690 /nfs/dbraw/zinc/08/26/90/1080082690.db2.gz XXCFNIFWNVDCFV-MSOLQXFVSA-N 1 0 401.511 0.523 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000671869575 1080082749 /nfs/dbraw/zinc/08/27/49/1080082749.db2.gz XXCFNIFWNVDCFV-QZTJIDSGSA-N 1 0 401.511 0.523 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000671869576 1080082709 /nfs/dbraw/zinc/08/27/09/1080082709.db2.gz XXCFNIFWNVDCFV-ROUUACIJSA-N 1 0 401.511 0.523 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000671869577 1080082544 /nfs/dbraw/zinc/08/25/44/1080082544.db2.gz XXCFNIFWNVDCFV-ZWKOTPCHSA-N 1 0 401.511 0.523 20 0 HCADRO CCO[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C12CCC2 ZINC000671869625 1080083010 /nfs/dbraw/zinc/08/30/10/1080083010.db2.gz XPOQIAUWDUIPQS-MSOLQXFVSA-N 1 0 415.538 0.914 20 0 HCADRO CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C12CCC2 ZINC000671869626 1080083124 /nfs/dbraw/zinc/08/31/24/1080083124.db2.gz XPOQIAUWDUIPQS-QZTJIDSGSA-N 1 0 415.538 0.914 20 0 HCADRO CCO[C@H]1C[C@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C12CCC2 ZINC000671869627 1080083360 /nfs/dbraw/zinc/08/33/60/1080083360.db2.gz XPOQIAUWDUIPQS-ROUUACIJSA-N 1 0 415.538 0.914 20 0 HCADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C12CCC2 ZINC000671869628 1080083095 /nfs/dbraw/zinc/08/30/95/1080083095.db2.gz XPOQIAUWDUIPQS-ZWKOTPCHSA-N 1 0 415.538 0.914 20 0 HCADRO Cn1nc(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)c2ccccc21 ZINC000671869681 1080082077 /nfs/dbraw/zinc/08/20/77/1080082077.db2.gz VWMDYNTVOXKFGU-UHFFFAOYSA-N 1 0 421.505 0.653 20 0 HCADRO CN(C)c1nc(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cs1 ZINC000671869783 1080082503 /nfs/dbraw/zinc/08/25/03/1080082503.db2.gz YUMWACWVBKAXBY-UHFFFAOYSA-N 1 0 417.539 0.289 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)CC1 ZINC000671869786 1080082765 /nfs/dbraw/zinc/08/27/65/1080082765.db2.gz APAIWAVMVYPDAD-GOSISDBHSA-N 1 0 411.510 0.510 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)CC1 ZINC000671869787 1080082626 /nfs/dbraw/zinc/08/26/26/1080082626.db2.gz APAIWAVMVYPDAD-SFHVURJKSA-N 1 0 411.510 0.510 20 0 HCADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000671870701 1080084686 /nfs/dbraw/zinc/08/46/86/1080084686.db2.gz BAOIGGICMPGEQH-BBRMVZONSA-N 1 0 409.498 0.950 20 0 HCADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000671870702 1080084550 /nfs/dbraw/zinc/08/45/50/1080084550.db2.gz BAOIGGICMPGEQH-CJNGLKHVSA-N 1 0 409.498 0.950 20 0 HCADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000671870703 1080084487 /nfs/dbraw/zinc/08/44/87/1080084487.db2.gz BAOIGGICMPGEQH-CZUORRHYSA-N 1 0 409.498 0.950 20 0 HCADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000671870704 1080084457 /nfs/dbraw/zinc/08/44/57/1080084457.db2.gz BAOIGGICMPGEQH-XJKSGUPXSA-N 1 0 409.498 0.950 20 0 HCADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000671870829 1080087397 /nfs/dbraw/zinc/08/73/97/1080087397.db2.gz JXBVSYKQWSNTAQ-CVEARBPZSA-N 1 0 410.540 0.745 20 0 HCADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000671870830 1080087438 /nfs/dbraw/zinc/08/74/38/1080087438.db2.gz JXBVSYKQWSNTAQ-HOTGVXAUSA-N 1 0 410.540 0.745 20 0 HCADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000671870831 1080346043 /nfs/dbraw/zinc/34/60/43/1080346043.db2.gz JXBVSYKQWSNTAQ-HZPDHXFCSA-N 1 0 410.540 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/nfs/dbraw/zinc/12/89/55/1080128955.db2.gz YTBWDAZFFHRLAY-SXLOBPIMSA-N 1 0 402.539 0.503 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000671904502 1080129344 /nfs/dbraw/zinc/12/93/44/1080129344.db2.gz YTBWDAZFFHRLAY-YSIASYRMSA-N 1 0 402.539 0.503 20 0 HCADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671906408 1080131169 /nfs/dbraw/zinc/13/11/69/1080131169.db2.gz JGXDBHRAVFEJCT-UHFFFAOYSA-N 1 0 402.486 0.593 20 0 HCADRO O=C(NC1CCN(CC(F)F)CC1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000671906902 1080132077 /nfs/dbraw/zinc/13/20/77/1080132077.db2.gz GZWAQIMMEXUBQB-UHFFFAOYSA-N 1 0 416.513 0.936 20 0 HCADRO CN(C(=O)C(=O)NC1CCN(CC(F)F)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671907022 1080131689 /nfs/dbraw/zinc/13/16/89/1080131689.db2.gz KHSCWBKQFFPGMM-KRWDZBQOSA-N 1 0 415.529 0.459 20 0 HCADRO CN(C(=O)C(=O)NC1CCN(CC(F)F)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671907024 1080132425 /nfs/dbraw/zinc/13/24/25/1080132425.db2.gz KHSCWBKQFFPGMM-QGZVFWFLSA-N 1 0 415.529 0.459 20 0 HCADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671907116 1080132307 /nfs/dbraw/zinc/13/23/07/1080132307.db2.gz NJOKTLWWPSBFKX-UHFFFAOYSA-N 1 0 411.453 0.585 20 0 HCADRO O=C(NC1CCN(CC(F)F)CC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000671907247 1080132210 /nfs/dbraw/zinc/13/22/10/1080132210.db2.gz ORISTCPTXZEJLL-DLBZAZTESA-N 1 0 416.513 0.716 20 0 HCADRO O=C(NC1CCN(CC(F)F)CC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000671907250 1080132361 /nfs/dbraw/zinc/13/23/61/1080132361.db2.gz ORISTCPTXZEJLL-IAGOWNOFSA-N 1 0 416.513 0.716 20 0 HCADRO O=C(NC1CCN(CC(F)F)CC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000671907251 1080131963 /nfs/dbraw/zinc/13/19/63/1080131963.db2.gz ORISTCPTXZEJLL-IRXDYDNUSA-N 1 0 416.513 0.716 20 0 HCADRO O=C(NC1CCN(CC(F)F)CC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000671907252 1080131472 /nfs/dbraw/zinc/13/14/72/1080131472.db2.gz ORISTCPTXZEJLL-SJORKVTESA-N 1 0 416.513 0.716 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671908075 1080132905 /nfs/dbraw/zinc/13/29/05/1080132905.db2.gz JEVWNBCXHAEOEF-KRWDZBQOSA-N 1 0 415.529 0.461 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671908076 1080133221 /nfs/dbraw/zinc/13/32/21/1080133221.db2.gz JEVWNBCXHAEOEF-QGZVFWFLSA-N 1 0 415.529 0.461 20 0 HCADRO O=C(NC1CCN(CC(F)F)CC1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000671908374 1080133676 /nfs/dbraw/zinc/13/36/76/1080133676.db2.gz PQZGPLPUAUKUAN-HNNXBMFYSA-N 1 0 402.486 0.403 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671908796 1080133438 /nfs/dbraw/zinc/13/34/38/1080133438.db2.gz ZRDQFOJVQVETKF-CQSZACIVSA-N 1 0 402.486 0.544 20 0 HCADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671908999 1080123716 /nfs/dbraw/zinc/12/37/16/1080123716.db2.gz GEXMYLCBFWFJRE-UHFFFAOYSA-N 1 0 404.502 0.791 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC3CCN(CC(F)F)CC3)C2)CC1 ZINC000671909106 1080134517 /nfs/dbraw/zinc/13/45/17/1080134517.db2.gz HYZVNBNAFKOWPD-HNNXBMFYSA-N 1 0 401.502 0.117 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC3CCN(CC(F)F)CC3)C2)CC1 ZINC000671909108 1080135335 /nfs/dbraw/zinc/13/53/35/1080135335.db2.gz HYZVNBNAFKOWPD-OAHLLOKOSA-N 1 0 401.502 0.117 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CCN(CC(F)F)CC3)CC2)C1 ZINC000671909199 1080135572 /nfs/dbraw/zinc/13/55/72/1080135572.db2.gz LBHVQAXPCRCUAU-INIZCTEOSA-N 1 0 401.502 0.071 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CCN(CC(F)F)CC3)CC2)C1 ZINC000671909200 1080135635 /nfs/dbraw/zinc/13/56/35/1080135635.db2.gz LBHVQAXPCRCUAU-MRXNPFEDSA-N 1 0 401.502 0.071 20 0 HCADRO O=C(NC1CCN(CC(F)F)CC1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000671909263 1080134254 /nfs/dbraw/zinc/13/42/54/1080134254.db2.gz PQZGPLPUAUKUAN-OAHLLOKOSA-N 1 0 402.486 0.403 20 0 HCADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671909269 1080134225 /nfs/dbraw/zinc/13/42/25/1080134225.db2.gz PZCAYBVZPGLPOE-GOSISDBHSA-N 1 0 424.492 0.715 20 0 HCADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671909271 1080134697 /nfs/dbraw/zinc/13/46/97/1080134697.db2.gz PZCAYBVZPGLPOE-SFHVURJKSA-N 1 0 424.492 0.715 20 0 HCADRO O=C(NC1CCN(CC(F)F)CC1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000671909306 1080134618 /nfs/dbraw/zinc/13/46/18/1080134618.db2.gz RZRKZMGTYRTCHW-UHFFFAOYSA-N 1 0 402.486 0.403 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC2CCN(CC(F)F)CC2)ccn1 ZINC000671909358 1080134125 /nfs/dbraw/zinc/13/41/25/1080134125.db2.gz VCPJDDISHSKENF-UHFFFAOYSA-N 1 0 413.469 0.484 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671909560 1080134410 /nfs/dbraw/zinc/13/44/10/1080134410.db2.gz SNSXXOJERHVZFC-UHFFFAOYSA-N 1 0 403.518 0.317 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC3CCN(CC(F)F)CC3)CC2)c1 ZINC000671910210 1080124767 /nfs/dbraw/zinc/12/47/67/1080124767.db2.gz WLUCBEUTZAWABC-UHFFFAOYSA-N 1 0 411.453 0.585 20 0 HCADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671910346 1080124577 /nfs/dbraw/zinc/12/45/77/1080124577.db2.gz ZRDQFOJVQVETKF-AWEZNQCLSA-N 1 0 402.486 0.544 20 0 HCADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)C1 ZINC000671910498 1080124842 /nfs/dbraw/zinc/12/48/42/1080124842.db2.gz BZDVZOQOULOLHH-INIZCTEOSA-N 1 0 404.502 0.791 20 0 HCADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)C1 ZINC000671910499 1080124424 /nfs/dbraw/zinc/12/44/24/1080124424.db2.gz BZDVZOQOULOLHH-MRXNPFEDSA-N 1 0 404.502 0.791 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671910640 1080122911 /nfs/dbraw/zinc/12/29/11/1080122911.db2.gz MDQVKJZLSJHLCR-UHFFFAOYSA-N 1 0 404.502 0.838 20 0 HCADRO O=C(NC1CCN(CC(F)F)CC1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000671910847 1080124228 /nfs/dbraw/zinc/12/42/28/1080124228.db2.gz STJAOOGRNZDYHW-UHFFFAOYSA-N 1 0 402.486 0.403 20 0 HCADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671910974 1080125708 /nfs/dbraw/zinc/12/57/08/1080125708.db2.gz ZVBBWXGAEANTPU-UHFFFAOYSA-N 1 0 404.502 0.838 20 0 HCADRO NC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCO1 ZINC000671911415 1080124921 /nfs/dbraw/zinc/12/49/21/1080124921.db2.gz YXCNNLXXKDTFQG-GOSISDBHSA-N 1 0 402.495 0.392 20 0 HCADRO NC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCO1 ZINC000671911416 1080124692 /nfs/dbraw/zinc/12/46/92/1080124692.db2.gz YXCNNLXXKDTFQG-SFHVURJKSA-N 1 0 402.495 0.392 20 0 HCADRO CCN(C[C@@H]1CCOC1)C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000671912290 1080126713 /nfs/dbraw/zinc/12/67/13/1080126713.db2.gz FQOFNBOASJVKTQ-KRWDZBQOSA-N 1 0 404.511 0.479 20 0 HCADRO CCN(C[C@H]1CCOC1)C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000671912291 1080126785 /nfs/dbraw/zinc/12/67/85/1080126785.db2.gz FQOFNBOASJVKTQ-QGZVFWFLSA-N 1 0 404.511 0.479 20 0 HCADRO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000671912320 1080127180 /nfs/dbraw/zinc/12/71/80/1080127180.db2.gz CLOYWQMZTTWVJA-DOTOQJQBSA-N 1 0 404.511 0.526 20 0 HCADRO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000671912321 1080126748 /nfs/dbraw/zinc/12/67/48/1080126748.db2.gz CLOYWQMZTTWVJA-NVXWUHKLSA-N 1 0 404.511 0.526 20 0 HCADRO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000671912323 1080126900 /nfs/dbraw/zinc/12/69/00/1080126900.db2.gz CLOYWQMZTTWVJA-RDJZCZTQSA-N 1 0 404.511 0.526 20 0 HCADRO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000671912324 1080126837 /nfs/dbraw/zinc/12/68/37/1080126837.db2.gz CLOYWQMZTTWVJA-WBVHZDCISA-N 1 0 404.511 0.526 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCOCC3(CCC3)C2)c1 ZINC000671912331 1080126589 /nfs/dbraw/zinc/12/65/89/1080126589.db2.gz GJVWVWACBJTFGI-UHFFFAOYSA-N 1 0 416.522 0.623 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCCCO1 ZINC000671912332 1080126732 /nfs/dbraw/zinc/12/67/32/1080126732.db2.gz GUUDQXKSUOKCRB-CRAIPNDOSA-N 1 0 404.511 0.668 20 0 HCADRO C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCCCO1 ZINC000671912336 1080127787 /nfs/dbraw/zinc/12/77/87/1080127787.db2.gz GUUDQXKSUOKCRB-MAUKXSAKSA-N 1 0 404.511 0.668 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCCCO1 ZINC000671912337 1080128086 /nfs/dbraw/zinc/12/80/86/1080128086.db2.gz GUUDQXKSUOKCRB-QAPCUYQASA-N 1 0 404.511 0.668 20 0 HCADRO C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCCCO1 ZINC000671912339 1080128236 /nfs/dbraw/zinc/12/82/36/1080128236.db2.gz GUUDQXKSUOKCRB-YJBOKZPZSA-N 1 0 404.511 0.668 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NCC2CCSCC2)c1 ZINC000671912340 1080128053 /nfs/dbraw/zinc/12/80/53/1080128053.db2.gz PGLMZTIWAPINRY-UHFFFAOYSA-N 1 0 406.552 0.854 20 0 HCADRO COC[C@@H]1CCCCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000671912377 1080127902 /nfs/dbraw/zinc/12/79/02/1080127902.db2.gz NASIVVOPHCVUCJ-GOSISDBHSA-N 1 0 418.538 0.869 20 0 HCADRO COC[C@H]1CCCCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000671912378 1080128115 /nfs/dbraw/zinc/12/81/15/1080128115.db2.gz NASIVVOPHCVUCJ-SFHVURJKSA-N 1 0 418.538 0.869 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NCc2ccc(F)cn2)c1 ZINC000671912419 1080128196 /nfs/dbraw/zinc/12/81/96/1080128196.db2.gz URZJQFWCNRJGPB-UHFFFAOYSA-N 1 0 401.442 0.445 20 0 HCADRO COc1cccc(CNC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000671912443 1080126765 /nfs/dbraw/zinc/12/67/65/1080126765.db2.gz YDOKHYLPCCXDIC-UHFFFAOYSA-N 1 0 413.478 0.314 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[C@]3(CCOC3)C2)c1 ZINC000671912503 1080126812 /nfs/dbraw/zinc/12/68/12/1080126812.db2.gz PEEJTMDEFLHKSV-NRFANRHFSA-N 1 0 402.495 0.233 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)c1 ZINC000671912504 1080127028 /nfs/dbraw/zinc/12/70/28/1080127028.db2.gz PEEJTMDEFLHKSV-OAQYLSRUSA-N 1 0 402.495 0.233 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCc3ccc(O)cc3C2)c1 ZINC000671912524 1080126646 /nfs/dbraw/zinc/12/66/46/1080126646.db2.gz UHLGLWAQNRFLFU-UHFFFAOYSA-N 1 0 424.501 0.885 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NCc2ccc(Cl)cn2)c1 ZINC000671912554 1080126701 /nfs/dbraw/zinc/12/67/01/1080126701.db2.gz AZGKMQCJNITAGJ-UHFFFAOYSA-N 1 0 417.897 0.959 20 0 HCADRO CCO[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000671912585 1080125664 /nfs/dbraw/zinc/12/56/64/1080125664.db2.gz MGNFBVSVQRLKCG-GOSISDBHSA-N 1 0 404.511 0.622 20 0 HCADRO CCO[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000671912586 1080125573 /nfs/dbraw/zinc/12/55/73/1080125573.db2.gz MGNFBVSVQRLKCG-SFHVURJKSA-N 1 0 404.511 0.622 20 0 HCADRO CO[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000671912594 1080125802 /nfs/dbraw/zinc/12/58/02/1080125802.db2.gz NPZHBVKHJHISFD-DLBZAZTESA-N 1 0 404.511 0.524 20 0 HCADRO CO[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000671912595 1080125601 /nfs/dbraw/zinc/12/56/01/1080125601.db2.gz NPZHBVKHJHISFD-IAGOWNOFSA-N 1 0 404.511 0.524 20 0 HCADRO CO[C@H]1C[C@H](NC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000671912596 1080125692 /nfs/dbraw/zinc/12/56/92/1080125692.db2.gz NPZHBVKHJHISFD-IRXDYDNUSA-N 1 0 404.511 0.524 20 0 HCADRO CO[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000671912597 1080125917 /nfs/dbraw/zinc/12/59/17/1080125917.db2.gz NPZHBVKHJHISFD-SJORKVTESA-N 1 0 404.511 0.524 20 0 HCADRO Cc1ccc(CN(C)C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)nc1 ZINC000671912613 1080125880 /nfs/dbraw/zinc/12/58/80/1080125880.db2.gz SEMIFWFXVCAFNE-UHFFFAOYSA-N 1 0 411.506 0.956 20 0 HCADRO Cc1cn2c(n1)CN(C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)CC2 ZINC000671912670 1080127077 /nfs/dbraw/zinc/12/70/77/1080127077.db2.gz NVYWXHPEMSFMGO-UHFFFAOYSA-N 1 0 412.494 0.142 20 0 HCADRO C[NH+]1CCC(Oc2ccc(CNC(=O)CN3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000671912890 1080127720 /nfs/dbraw/zinc/12/77/20/1080127720.db2.gz KJSFHSNMXSMXOQ-UHFFFAOYSA-N 1 0 424.567 0.353 20 0 HCADRO COc1cccc(CNC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1 ZINC000671916534 1080139085 /nfs/dbraw/zinc/13/90/85/1080139085.db2.gz BOFCTVMIASKMNQ-UHFFFAOYSA-N 1 0 403.527 0.723 20 0 HCADRO COc1cccc(CNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000671917915 1080138957 /nfs/dbraw/zinc/13/89/57/1080138957.db2.gz WZHDWDYKLBNTQM-JWTNVVGKSA-N 1 0 401.511 0.476 20 0 HCADRO COc1cccc(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000671918117 1080138927 /nfs/dbraw/zinc/13/89/27/1080138927.db2.gz QDFGPTSKTOJKTA-UHFFFAOYSA-N 1 0 412.490 0.980 20 0 HCADRO COc1cccc(CNC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000671918187 1080138861 /nfs/dbraw/zinc/13/88/61/1080138861.db2.gz SVNSRWUXCMYKKK-UHFFFAOYSA-N 1 0 403.527 0.723 20 0 HCADRO COc1cccc(CNC(=O)C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)n1 ZINC000671918627 1080138851 /nfs/dbraw/zinc/13/88/51/1080138851.db2.gz PKTGJGOHGAMSHP-UHFFFAOYSA-N 1 0 403.527 0.773 20 0 HCADRO COc1cccc(CNC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000671919348 1080140040 /nfs/dbraw/zinc/14/00/40/1080140040.db2.gz IXFRNCCWRGZWEJ-UHFFFAOYSA-N 1 0 419.526 0.449 20 0 HCADRO COc1cccc(CNC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000671919759 1080138970 /nfs/dbraw/zinc/13/89/70/1080138970.db2.gz SJTCDSIHIXDJPI-CALCHBBNSA-N 1 0 403.527 0.723 20 0 HCADRO COc1cccc(CNC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1 ZINC000671919760 1080139011 /nfs/dbraw/zinc/13/90/11/1080139011.db2.gz SJTCDSIHIXDJPI-IAGOWNOFSA-N 1 0 403.527 0.723 20 0 HCADRO COc1cccc(CNC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000671919763 1080140253 /nfs/dbraw/zinc/14/02/53/1080140253.db2.gz SJTCDSIHIXDJPI-IRXDYDNUSA-N 1 0 403.527 0.723 20 0 HCADRO COc1cccc(CNC(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC000671920208 1080140584 /nfs/dbraw/zinc/14/05/84/1080140584.db2.gz ARGVEATVHSGWKK-UHFFFAOYSA-N 1 0 412.490 0.980 20 0 HCADRO COc1cccc(CNC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000671920237 1080140715 /nfs/dbraw/zinc/14/07/15/1080140715.db2.gz CEWUDWLVYZPOLM-UHFFFAOYSA-N 1 0 403.527 0.583 20 0 HCADRO CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000671925603 1080144859 /nfs/dbraw/zinc/14/48/59/1080144859.db2.gz PETKLJKMMHJWRW-UHFFFAOYSA-N 1 0 416.503 0.591 20 0 HCADRO CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000671925810 1080142787 /nfs/dbraw/zinc/14/27/87/1080142787.db2.gz MUCHMAPIFCOYFX-GOSISDBHSA-N 1 0 407.536 0.934 20 0 HCADRO CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000671925811 1080143380 /nfs/dbraw/zinc/14/33/80/1080143380.db2.gz MUCHMAPIFCOYFX-SFHVURJKSA-N 1 0 407.536 0.934 20 0 HCADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)c1 ZINC000671926371 1080144880 /nfs/dbraw/zinc/14/48/80/1080144880.db2.gz UXBRBJBICCMDDT-UHFFFAOYSA-N 1 0 410.478 0.643 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCCOc3ccc(F)cc3)C2)CC1 ZINC000671926549 1080144427 /nfs/dbraw/zinc/14/44/27/1080144427.db2.gz FLPRUTUWEZLAJW-KRWDZBQOSA-N 1 0 406.502 0.996 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCCOc3ccc(F)cc3)C2)CC1 ZINC000671926550 1080144662 /nfs/dbraw/zinc/14/46/62/1080144662.db2.gz FLPRUTUWEZLAJW-QGZVFWFLSA-N 1 0 406.502 0.996 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCOc3ccc(F)cc3)CC2)C1 ZINC000671926597 1080144813 /nfs/dbraw/zinc/14/48/13/1080144813.db2.gz YKHIJCOIJLLPET-GOSISDBHSA-N 1 0 406.502 0.949 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCCOc3ccc(F)cc3)CC2)C1 ZINC000671926598 1080144317 /nfs/dbraw/zinc/14/43/17/1080144317.db2.gz YKHIJCOIJLLPET-SFHVURJKSA-N 1 0 406.502 0.949 20 0 HCADRO C[C@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)N1CCc2ccccc21 ZINC000671933725 1080153521 /nfs/dbraw/zinc/15/35/21/1080153521.db2.gz DMIRFELCSLKNNZ-GOSISDBHSA-N 1 0 401.555 0.650 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)N1CCc2ccccc21 ZINC000671933726 1080153081 /nfs/dbraw/zinc/15/30/81/1080153081.db2.gz DMIRFELCSLKNNZ-SFHVURJKSA-N 1 0 401.555 0.650 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCc2ccccc21 ZINC000671934079 1080155891 /nfs/dbraw/zinc/15/58/91/1080155891.db2.gz MLIFHYBORXGNGZ-HKUYNNGSSA-N 1 0 413.566 0.839 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCc2ccccc21 ZINC000671934080 1080155469 /nfs/dbraw/zinc/15/54/69/1080155469.db2.gz MLIFHYBORXGNGZ-IEBWSBKVSA-N 1 0 413.566 0.839 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCc2ccccc21 ZINC000671934081 1080156158 /nfs/dbraw/zinc/15/61/58/1080156158.db2.gz MLIFHYBORXGNGZ-MJGOQNOKSA-N 1 0 413.566 0.839 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCc2ccccc21 ZINC000671934082 1080156420 /nfs/dbraw/zinc/15/64/20/1080156420.db2.gz MLIFHYBORXGNGZ-PKOBYXMFSA-N 1 0 413.566 0.839 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N1CCc2ccccc21 ZINC000671934209 1080154764 /nfs/dbraw/zinc/15/47/64/1080154764.db2.gz WYTHTMZRRBRBLV-AZUAARDMSA-N 1 0 413.566 0.792 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N1CCc2ccccc21 ZINC000671934210 1080154830 /nfs/dbraw/zinc/15/48/30/1080154830.db2.gz WYTHTMZRRBRBLV-ICSRJNTNSA-N 1 0 413.566 0.792 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N1CCc2ccccc21 ZINC000671934211 1080154141 /nfs/dbraw/zinc/15/41/41/1080154141.db2.gz WYTHTMZRRBRBLV-QUCCMNQESA-N 1 0 413.566 0.792 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N1CCc2ccccc21 ZINC000671934212 1080154402 /nfs/dbraw/zinc/15/44/02/1080154402.db2.gz WYTHTMZRRBRBLV-UYAOXDASSA-N 1 0 413.566 0.792 20 0 HCADRO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671934455 1080154240 /nfs/dbraw/zinc/15/42/40/1080154240.db2.gz FVKQYHUSQGAILF-CABCVRRESA-N 1 0 417.489 0.551 20 0 HCADRO C[C@@H](Cn1cncn1)NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671934456 1080154651 /nfs/dbraw/zinc/15/46/51/1080154651.db2.gz FVKQYHUSQGAILF-GJZGRUSLSA-N 1 0 417.489 0.551 20 0 HCADRO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671934457 1080154921 /nfs/dbraw/zinc/15/49/21/1080154921.db2.gz FVKQYHUSQGAILF-HUUCEWRRSA-N 1 0 417.489 0.551 20 0 HCADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)Cn1cncn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671934458 1080154122 /nfs/dbraw/zinc/15/41/22/1080154122.db2.gz FVKQYHUSQGAILF-LSDHHAIUSA-N 1 0 417.489 0.551 20 0 HCADRO C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671937859 1080156841 /nfs/dbraw/zinc/15/68/41/1080156841.db2.gz DRBQXMAUUBKEKK-AZUAARDMSA-N 1 0 413.566 0.792 20 0 HCADRO C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671937860 1080157646 /nfs/dbraw/zinc/15/76/46/1080157646.db2.gz DRBQXMAUUBKEKK-ICSRJNTNSA-N 1 0 413.566 0.792 20 0 HCADRO C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671937861 1080156862 /nfs/dbraw/zinc/15/68/62/1080156862.db2.gz DRBQXMAUUBKEKK-QUCCMNQESA-N 1 0 413.566 0.792 20 0 HCADRO C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671937862 1080157168 /nfs/dbraw/zinc/15/71/68/1080157168.db2.gz DRBQXMAUUBKEKK-UYAOXDASSA-N 1 0 413.566 0.792 20 0 HCADRO C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671937975 1080156925 /nfs/dbraw/zinc/15/69/25/1080156925.db2.gz WCQFKODFGIZBCX-HKUYNNGSSA-N 1 0 413.566 0.839 20 0 HCADRO C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671937976 1080157231 /nfs/dbraw/zinc/15/72/31/1080157231.db2.gz WCQFKODFGIZBCX-IEBWSBKVSA-N 1 0 413.566 0.839 20 0 HCADRO C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671937977 1080158891 /nfs/dbraw/zinc/15/88/91/1080158891.db2.gz WCQFKODFGIZBCX-MJGOQNOKSA-N 1 0 413.566 0.839 20 0 HCADRO C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671937978 1080157992 /nfs/dbraw/zinc/15/79/92/1080157992.db2.gz WCQFKODFGIZBCX-PKOBYXMFSA-N 1 0 413.566 0.839 20 0 HCADRO CCCC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000671941312 1080160074 /nfs/dbraw/zinc/16/00/74/1080160074.db2.gz 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C[N@@H+]1CCN(CCNC(=O)C(=O)NCCN2CCCc3ccccc32)CC1(C)C ZINC000671944994 1080170418 /nfs/dbraw/zinc/17/04/18/1080170418.db2.gz FVQJMHWWUVMINY-UHFFFAOYSA-N 1 0 401.555 0.698 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCN3CCCc4ccccc43)C2)CC1 ZINC000671945389 1080150259 /nfs/dbraw/zinc/15/02/59/1080150259.db2.gz XFNLDKNQIMCRSS-IBGZPJMESA-N 1 0 413.566 0.840 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCN3CCCc4ccccc43)C2)CC1 ZINC000671945390 1080150115 /nfs/dbraw/zinc/15/01/15/1080150115.db2.gz XFNLDKNQIMCRSS-LJQANCHMSA-N 1 0 413.566 0.840 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CCCc2ccccc21 ZINC000671946151 1080171419 /nfs/dbraw/zinc/17/14/19/1080171419.db2.gz XFGKANJPHAUHHB-UHFFFAOYSA-N 1 0 401.555 0.651 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000671948027 1080174327 /nfs/dbraw/zinc/17/43/27/1080174327.db2.gz YFEQRXXYLDYZPR-DOPJRALCSA-N 1 0 409.508 0.488 20 0 HCADRO 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/nfs/dbraw/zinc/49/61/28/1080496128.db2.gz RECDGZPBKILUGA-YOEHRIQHSA-N 1 0 422.551 0.715 20 0 HCADRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000672195410 1080496065 /nfs/dbraw/zinc/49/60/65/1080496065.db2.gz CSTUDRZOAJMCSO-HNNXBMFYSA-N 1 0 410.540 0.668 20 0 HCADRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000672195411 1080496320 /nfs/dbraw/zinc/49/63/20/1080496320.db2.gz CSTUDRZOAJMCSO-OAHLLOKOSA-N 1 0 410.540 0.668 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)C1 ZINC000672200242 1080498891 /nfs/dbraw/zinc/49/88/91/1080498891.db2.gz ZRVOFEAUKDXZHL-CYBMUJFWSA-N 1 0 404.558 0.551 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(c2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)C1 ZINC000672200243 1080498715 /nfs/dbraw/zinc/49/87/15/1080498715.db2.gz ZRVOFEAUKDXZHL-ZDUSSCGKSA-N 1 0 404.558 0.551 20 0 HCADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672204135 1080501462 /nfs/dbraw/zinc/50/14/62/1080501462.db2.gz XJAUUUAGZKYQMZ-CVEARBPZSA-N 1 0 401.511 0.471 20 0 HCADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672204136 1080501308 /nfs/dbraw/zinc/50/13/08/1080501308.db2.gz XJAUUUAGZKYQMZ-HOTGVXAUSA-N 1 0 401.511 0.471 20 0 HCADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672204137 1080500936 /nfs/dbraw/zinc/50/09/36/1080500936.db2.gz XJAUUUAGZKYQMZ-HZPDHXFCSA-N 1 0 401.511 0.471 20 0 HCADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672204138 1080501406 /nfs/dbraw/zinc/50/14/06/1080501406.db2.gz XJAUUUAGZKYQMZ-JKSUJKDBSA-N 1 0 401.511 0.471 20 0 HCADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672204640 1080502648 /nfs/dbraw/zinc/50/26/48/1080502648.db2.gz LYQUSSXHIRMAFX-KRWDZBQOSA-N 1 0 410.540 0.689 20 0 HCADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672204641 1080503334 /nfs/dbraw/zinc/50/33/34/1080503334.db2.gz LYQUSSXHIRMAFX-QGZVFWFLSA-N 1 0 410.540 0.689 20 0 HCADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000672204819 1080502003 /nfs/dbraw/zinc/50/20/03/1080502003.db2.gz AFXRGDKSAMXZIF-GOSISDBHSA-N 1 0 422.551 0.833 20 0 HCADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000672204820 1080502183 /nfs/dbraw/zinc/50/21/83/1080502183.db2.gz AFXRGDKSAMXZIF-SFHVURJKSA-N 1 0 422.551 0.833 20 0 HCADRO O=C(C[NH+]1CCCC1)N1CCN(c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000672207901 1080506724 /nfs/dbraw/zinc/50/67/24/1080506724.db2.gz XYOVHWRMIMBJND-UHFFFAOYSA-N 1 0 407.540 0.611 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C1CC1 ZINC000672208019 1080505929 /nfs/dbraw/zinc/50/59/29/1080505929.db2.gz FMWUSNWORABIIJ-AWEZNQCLSA-N 1 0 408.524 0.442 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C1CC1 ZINC000672208020 1080506188 /nfs/dbraw/zinc/50/61/88/1080506188.db2.gz FMWUSNWORABIIJ-CQSZACIVSA-N 1 0 408.524 0.442 20 0 HCADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000672211460 1080504630 /nfs/dbraw/zinc/50/46/30/1080504630.db2.gz QFSUAEKLQDFIKX-UHFFFAOYSA-N 1 0 412.556 0.994 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H](CO)C2)c1)C1CCOCC1 ZINC000672212612 1080505404 /nfs/dbraw/zinc/50/54/04/1080505404.db2.gz WTLAWRAVKSHOKN-GOSISDBHSA-N 1 0 419.522 0.633 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)C(=O)N2CC[C@H](CO)C2)c1)C1CCOCC1 ZINC000672212613 1080505129 /nfs/dbraw/zinc/50/51/29/1080505129.db2.gz WTLAWRAVKSHOKN-SFHVURJKSA-N 1 0 419.522 0.633 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)C(=O)N[C@H]2CCOC2)c1)C1CCOCC1 ZINC000672212680 1080506861 /nfs/dbraw/zinc/50/68/61/1080506861.db2.gz KODSLYSMPXOSBS-KRWDZBQOSA-N 1 0 405.495 0.698 20 0 HCADRO C[N@H+](CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCOC2)c1)C1CCOCC1 ZINC000672212681 1080507072 /nfs/dbraw/zinc/50/70/72/1080507072.db2.gz KODSLYSMPXOSBS-QGZVFWFLSA-N 1 0 405.495 0.698 20 0 HCADRO C[C@H](O)CN(C)C(=O)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000672212691 1080503805 /nfs/dbraw/zinc/50/38/05/1080503805.db2.gz NNMZCRNCVHMFKN-INIZCTEOSA-N 1 0 407.511 0.632 20 0 HCADRO C[C@@H](O)CN(C)C(=O)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000672212692 1080503704 /nfs/dbraw/zinc/50/37/04/1080503704.db2.gz NNMZCRNCVHMFKN-MRXNPFEDSA-N 1 0 407.511 0.632 20 0 HCADRO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000672213452 1080508283 /nfs/dbraw/zinc/50/82/83/1080508283.db2.gz UYNOCJZJVQAJQC-PMACEKPBSA-N 1 0 420.579 0.829 20 0 HCADRO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000672213453 1080508068 /nfs/dbraw/zinc/50/80/68/1080508068.db2.gz UYNOCJZJVQAJQC-UXHICEINSA-N 1 0 420.579 0.829 20 0 HCADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000672213454 1080508184 /nfs/dbraw/zinc/50/81/84/1080508184.db2.gz UYNOCJZJVQAJQC-VQTJNVASSA-N 1 0 420.579 0.829 20 0 HCADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000672213455 1080508228 /nfs/dbraw/zinc/50/82/28/1080508228.db2.gz UYNOCJZJVQAJQC-WOJBJXKFSA-N 1 0 420.579 0.829 20 0 HCADRO CCn1nc(C)c(CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000672218060 1080509192 /nfs/dbraw/zinc/50/91/92/1080509192.db2.gz OVLZSEJPUWWHFW-GOSISDBHSA-N 1 0 404.559 0.763 20 0 HCADRO CCn1nc(C)c(CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000672218061 1080508728 /nfs/dbraw/zinc/50/87/28/1080508728.db2.gz OVLZSEJPUWWHFW-SFHVURJKSA-N 1 0 404.559 0.763 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000672220826 1080510064 /nfs/dbraw/zinc/51/00/64/1080510064.db2.gz SKRMUHUZJXKNRG-GGPKGHCWSA-N 1 0 409.552 0.848 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000672220827 1080510392 /nfs/dbraw/zinc/51/03/92/1080510392.db2.gz SKRMUHUZJXKNRG-NLWGTHIKSA-N 1 0 409.552 0.848 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000672220828 1080510237 /nfs/dbraw/zinc/51/02/37/1080510237.db2.gz SKRMUHUZJXKNRG-NSHGMRRFSA-N 1 0 409.552 0.848 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000672220829 1080510443 /nfs/dbraw/zinc/51/04/43/1080510443.db2.gz SKRMUHUZJXKNRG-QWFCFKBJSA-N 1 0 409.552 0.848 20 0 HCADRO COC1(CNC(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCOCC1 ZINC000672224566 1080512463 /nfs/dbraw/zinc/51/24/63/1080512463.db2.gz HRVLBZXGGUWILB-UHFFFAOYSA-N 1 0 419.522 0.571 20 0 HCADRO COC1(CO)CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000672224597 1080511531 /nfs/dbraw/zinc/51/15/31/1080511531.db2.gz NUHDNDCJJNNDQT-UHFFFAOYSA-N 1 0 419.522 0.259 20 0 HCADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000672224632 1080511412 /nfs/dbraw/zinc/51/14/12/1080511412.db2.gz VEIGRXFDXVYTBL-JOCHJYFZSA-N 1 0 401.507 0.899 20 0 HCADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000672224633 1080511860 /nfs/dbraw/zinc/51/18/60/1080511860.db2.gz VEIGRXFDXVYTBL-QFIPXVFZSA-N 1 0 401.507 0.899 20 0 HCADRO O=C(NCCOC[C@H]1CCOC1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000672224897 1080511784 /nfs/dbraw/zinc/51/17/84/1080511784.db2.gz WVEDZJSSKPNDGQ-IBGZPJMESA-N 1 0 419.522 0.429 20 0 HCADRO O=C(NCCOC[C@@H]1CCOC1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000672224898 1080511603 /nfs/dbraw/zinc/51/16/03/1080511603.db2.gz WVEDZJSSKPNDGQ-LJQANCHMSA-N 1 0 419.522 0.429 20 0 HCADRO C[C@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CN(C)CCO1 ZINC000672224930 1080511461 /nfs/dbraw/zinc/51/14/61/1080511461.db2.gz CHHQVYJMEDHSDO-JXFKEZNVSA-N 1 0 418.538 0.095 20 0 HCADRO C[C@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CN(C)CCO1 ZINC000672224931 1080511721 /nfs/dbraw/zinc/51/17/21/1080511721.db2.gz CHHQVYJMEDHSDO-OXJNMPFZSA-N 1 0 418.538 0.095 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CN(C)CCO1 ZINC000672224932 1080511891 /nfs/dbraw/zinc/51/18/91/1080511891.db2.gz CHHQVYJMEDHSDO-OXQOHEQNSA-N 1 0 418.538 0.095 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CN(C)CCO1 ZINC000672224933 1080511643 /nfs/dbraw/zinc/51/16/43/1080511643.db2.gz CHHQVYJMEDHSDO-UZLBHIALSA-N 1 0 418.538 0.095 20 0 HCADRO Cc1cn2c(n1)CN(C(=O)C(=O)NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CC2 ZINC000672225171 1080514998 /nfs/dbraw/zinc/51/49/98/1080514998.db2.gz IULOPOSMFIWJOH-UHFFFAOYSA-N 1 0 411.506 0.807 20 0 HCADRO COC1CC[NH+](CCNc2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)CC1 ZINC000672232444 1080517002 /nfs/dbraw/zinc/51/70/02/1080517002.db2.gz SBCNNMGTLMBBFP-UHFFFAOYSA-N 1 0 420.557 0.107 20 0 HCADRO CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000672241083 1080520783 /nfs/dbraw/zinc/52/07/83/1080520783.db2.gz WLNZAHISCDBHCW-XYPWUTKMSA-N 1 0 410.540 0.743 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)CC2)C1 ZINC000672241566 1080524020 /nfs/dbraw/zinc/52/40/20/1080524020.db2.gz GVPPSNXSEOSEKZ-AWEZNQCLSA-N 1 0 416.448 0.300 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)CC2)C1 ZINC000672241569 1080523454 /nfs/dbraw/zinc/52/34/54/1080523454.db2.gz GVPPSNXSEOSEKZ-CQSZACIVSA-N 1 0 416.448 0.300 20 0 HCADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000672241596 1080523234 /nfs/dbraw/zinc/52/32/34/1080523234.db2.gz LCHHHYAWXKARQN-XYPWUTKMSA-N 1 0 409.498 0.948 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000672241891 1080523585 /nfs/dbraw/zinc/52/35/85/1080523585.db2.gz RIVCGIZKJINXLV-KRWDZBQOSA-N 1 0 407.540 0.785 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000672241892 1080523360 /nfs/dbraw/zinc/52/33/60/1080523360.db2.gz RIVCGIZKJINXLV-QGZVFWFLSA-N 1 0 407.540 0.785 20 0 HCADRO C[N@H+]1Cc2ccccc2[C@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000672243884 1080524605 /nfs/dbraw/zinc/52/46/05/1080524605.db2.gz RKCBVCBGCKIBBF-CDUMDVBJSA-N 1 0 412.450 0.036 20 0 HCADRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000672243885 1080524752 /nfs/dbraw/zinc/52/47/52/1080524752.db2.gz RKCBVCBGCKIBBF-SWQDORGXSA-N 1 0 412.450 0.036 20 0 HCADRO C[C@@H]1COCCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000672247273 1080527462 /nfs/dbraw/zinc/52/74/62/1080527462.db2.gz LPZBHHVCAIZWEG-APWZRJJASA-N 1 0 416.522 0.638 20 0 HCADRO C[C@H]1COCCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000672247274 1080527708 /nfs/dbraw/zinc/52/77/08/1080527708.db2.gz LPZBHHVCAIZWEG-LPHOPBHVSA-N 1 0 416.522 0.638 20 0 HCADRO C[C@H]1COCCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000672247275 1080527261 /nfs/dbraw/zinc/52/72/61/1080527261.db2.gz LPZBHHVCAIZWEG-QFBILLFUSA-N 1 0 416.522 0.638 20 0 HCADRO C[C@@H]1COCCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000672247276 1080527156 /nfs/dbraw/zinc/52/71/56/1080527156.db2.gz LPZBHHVCAIZWEG-VQIMIIECSA-N 1 0 416.522 0.638 20 0 HCADRO Cc1cc(CNC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)ncn1 ZINC000672247351 1080527316 /nfs/dbraw/zinc/52/73/16/1080527316.db2.gz YUKJJNAJOVXZSK-GOSISDBHSA-N 1 0 424.505 0.415 20 0 HCADRO Cc1cc(CNC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)ncn1 ZINC000672247352 1080527684 /nfs/dbraw/zinc/52/76/84/1080527684.db2.gz YUKJJNAJOVXZSK-SFHVURJKSA-N 1 0 424.505 0.415 20 0 HCADRO CC(C)OCCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000672247367 1080527538 /nfs/dbraw/zinc/52/75/38/1080527538.db2.gz AVPUVLKWCFBWIH-GOSISDBHSA-N 1 0 404.511 0.541 20 0 HCADRO CC(C)OCCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000672247368 1080527211 /nfs/dbraw/zinc/52/72/11/1080527211.db2.gz AVPUVLKWCFBWIH-SFHVURJKSA-N 1 0 404.511 0.541 20 0 HCADRO Cc1cc(CNC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)[nH]n1 ZINC000672247389 1080527577 /nfs/dbraw/zinc/52/75/77/1080527577.db2.gz FUYOUMSKENNJCS-KRWDZBQOSA-N 1 0 412.494 0.348 20 0 HCADRO Cc1cc(CNC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)[nH]n1 ZINC000672247390 1080527395 /nfs/dbraw/zinc/52/73/95/1080527395.db2.gz FUYOUMSKENNJCS-QGZVFWFLSA-N 1 0 412.494 0.348 20 0 HCADRO COC[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000672247468 1080526361 /nfs/dbraw/zinc/52/63/61/1080526361.db2.gz ZWYOXVMZKTUDII-MOPGFXCFSA-N 1 0 416.522 0.638 20 0 HCADRO COC[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000672247469 1080526623 /nfs/dbraw/zinc/52/66/23/1080526623.db2.gz ZWYOXVMZKTUDII-OALUTQOASA-N 1 0 416.522 0.638 20 0 HCADRO COC[C@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000672247470 1080527190 /nfs/dbraw/zinc/52/71/90/1080527190.db2.gz ZWYOXVMZKTUDII-RBUKOAKNSA-N 1 0 416.522 0.638 20 0 HCADRO COC[C@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000672247471 1080527364 /nfs/dbraw/zinc/52/73/64/1080527364.db2.gz ZWYOXVMZKTUDII-RTBURBONSA-N 1 0 416.522 0.638 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCc4c[nH]nc4C3)c2)C1 ZINC000672247564 1080526602 /nfs/dbraw/zinc/52/66/02/1080526602.db2.gz XBXATRSPYQFZJD-GOSISDBHSA-N 1 0 424.505 0.308 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCc4c[nH]nc4C3)c2)C1 ZINC000672247565 1080526321 /nfs/dbraw/zinc/52/63/21/1080526321.db2.gz XBXATRSPYQFZJD-SFHVURJKSA-N 1 0 424.505 0.308 20 0 HCADRO C[C@@]1(CNC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CCCO1 ZINC000672247625 1080526833 /nfs/dbraw/zinc/52/68/33/1080526833.db2.gz DFSUBSFPHPRVQB-AVRDEDQJSA-N 1 0 416.522 0.685 20 0 HCADRO C[C@@]1(CNC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CCCO1 ZINC000672247626 1080526888 /nfs/dbraw/zinc/52/68/88/1080526888.db2.gz DFSUBSFPHPRVQB-GCJKJVERSA-N 1 0 416.522 0.685 20 0 HCADRO C[C@]1(CNC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CCCO1 ZINC000672247627 1080526418 /nfs/dbraw/zinc/52/64/18/1080526418.db2.gz DFSUBSFPHPRVQB-PGRDOPGGSA-N 1 0 416.522 0.685 20 0 HCADRO C[C@]1(CNC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CCCO1 ZINC000672247628 1080526575 /nfs/dbraw/zinc/52/65/75/1080526575.db2.gz DFSUBSFPHPRVQB-XMSQKQJNSA-N 1 0 416.522 0.685 20 0 HCADRO CN(C[C@H](O)C1CC1)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000672247648 1080526864 /nfs/dbraw/zinc/52/68/64/1080526864.db2.gz HFMIKUWEEYCARY-MOPGFXCFSA-N 1 0 416.522 0.229 20 0 HCADRO CN(C[C@H](O)C1CC1)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000672247649 1080526524 /nfs/dbraw/zinc/52/65/24/1080526524.db2.gz HFMIKUWEEYCARY-OALUTQOASA-N 1 0 416.522 0.229 20 0 HCADRO CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000672247650 1080526394 /nfs/dbraw/zinc/52/63/94/1080526394.db2.gz HFMIKUWEEYCARY-RBUKOAKNSA-N 1 0 416.522 0.229 20 0 HCADRO CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000672247651 1080526927 /nfs/dbraw/zinc/52/69/27/1080526927.db2.gz HFMIKUWEEYCARY-RTBURBONSA-N 1 0 416.522 0.229 20 0 HCADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000672248112 1080525675 /nfs/dbraw/zinc/52/56/75/1080525675.db2.gz GXIOCYMERNYKGV-UHFFFAOYSA-N 1 0 418.542 0.198 20 0 HCADRO COC1(CO)CCN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000672256482 1080532589 /nfs/dbraw/zinc/53/25/89/1080532589.db2.gz ZNMXXIBFSBUYMA-UHFFFAOYSA-N 1 0 407.511 0.633 20 0 HCADRO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000672256557 1080532571 /nfs/dbraw/zinc/53/25/71/1080532571.db2.gz SZLYPHADECKTBZ-MOPGFXCFSA-N 1 0 416.522 0.903 20 0 HCADRO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000672256558 1080532382 /nfs/dbraw/zinc/53/23/82/1080532382.db2.gz SZLYPHADECKTBZ-OALUTQOASA-N 1 0 416.522 0.903 20 0 HCADRO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000672256559 1080532578 /nfs/dbraw/zinc/53/25/78/1080532578.db2.gz SZLYPHADECKTBZ-RBUKOAKNSA-N 1 0 416.522 0.903 20 0 HCADRO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC000672256560 1080532395 /nfs/dbraw/zinc/53/23/95/1080532395.db2.gz SZLYPHADECKTBZ-RTBURBONSA-N 1 0 416.522 0.903 20 0 HCADRO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)cc1 ZINC000672256640 1080532480 /nfs/dbraw/zinc/53/24/80/1080532480.db2.gz PSJRNGFORFRFKB-UHFFFAOYSA-N 1 0 420.554 0.548 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)c2c(C)oc(C)c2S(N)(=O)=O)CC1 ZINC000672256678 1080532506 /nfs/dbraw/zinc/53/25/06/1080532506.db2.gz CGUAINOUTBWANR-UHFFFAOYSA-N 1 0 417.528 0.743 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000672256687 1080532434 /nfs/dbraw/zinc/53/24/34/1080532434.db2.gz GMAPPXLFYQGNAV-APWZRJJASA-N 1 0 406.527 0.469 20 0 HCADRO C[C@H](NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000672256688 1080532539 /nfs/dbraw/zinc/53/25/39/1080532539.db2.gz GMAPPXLFYQGNAV-LPHOPBHVSA-N 1 0 406.527 0.469 20 0 HCADRO C[C@H](NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CN(C)CCO1 ZINC000672256689 1080532283 /nfs/dbraw/zinc/53/22/83/1080532283.db2.gz GMAPPXLFYQGNAV-QFBILLFUSA-N 1 0 406.527 0.469 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CN(C)CCO1 ZINC000672256690 1080532330 /nfs/dbraw/zinc/53/23/30/1080532330.db2.gz GMAPPXLFYQGNAV-VQIMIIECSA-N 1 0 406.527 0.469 20 0 HCADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000672256692 1080532611 /nfs/dbraw/zinc/53/26/11/1080532611.db2.gz GVPGMZYDFJAOCP-KRWDZBQOSA-N 1 0 404.511 0.760 20 0 HCADRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000672256693 1080532367 /nfs/dbraw/zinc/53/23/67/1080532367.db2.gz GVPGMZYDFJAOCP-QGZVFWFLSA-N 1 0 404.511 0.760 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000672256838 1080532527 /nfs/dbraw/zinc/53/25/27/1080532527.db2.gz QUMXPYDQIGIACD-AVRDEDQJSA-N 1 0 419.522 0.740 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000672256839 1080532264 /nfs/dbraw/zinc/53/22/64/1080532264.db2.gz QUMXPYDQIGIACD-GCJKJVERSA-N 1 0 419.522 0.740 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000672256840 1080532418 /nfs/dbraw/zinc/53/24/18/1080532418.db2.gz QUMXPYDQIGIACD-PGRDOPGGSA-N 1 0 419.522 0.740 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000672256841 1080532601 /nfs/dbraw/zinc/53/26/01/1080532601.db2.gz QUMXPYDQIGIACD-XMSQKQJNSA-N 1 0 419.522 0.740 20 0 HCADRO COC1(CO)CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000672256846 1080532621 /nfs/dbraw/zinc/53/26/21/1080532621.db2.gz RVONLHCZMBRJMH-UHFFFAOYSA-N 1 0 407.511 0.286 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000672256877 1080532564 /nfs/dbraw/zinc/53/25/64/1080532564.db2.gz XSWFYNKAEQFRFC-UHFFFAOYSA-N 1 0 418.494 0.688 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000672256958 1080531595 /nfs/dbraw/zinc/53/15/95/1080531595.db2.gz CEPDVYRLVZTEHF-KRWDZBQOSA-N 1 0 405.561 0.386 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000672256959 1080531903 /nfs/dbraw/zinc/53/19/03/1080531903.db2.gz CEPDVYRLVZTEHF-QGZVFWFLSA-N 1 0 405.561 0.386 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000672257012 1080531866 /nfs/dbraw/zinc/53/18/66/1080531866.db2.gz VTPWORNYHVQYPD-PMACEKPBSA-N 1 0 419.522 0.692 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000672257013 1080531640 /nfs/dbraw/zinc/53/16/40/1080531640.db2.gz VTPWORNYHVQYPD-UXHICEINSA-N 1 0 419.522 0.692 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000672257014 1080531575 /nfs/dbraw/zinc/53/15/75/1080531575.db2.gz VTPWORNYHVQYPD-VQTJNVASSA-N 1 0 419.522 0.692 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000672257015 1080531886 /nfs/dbraw/zinc/53/18/86/1080531886.db2.gz VTPWORNYHVQYPD-WOJBJXKFSA-N 1 0 419.522 0.692 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000672257317 1080532853 /nfs/dbraw/zinc/53/28/53/1080532853.db2.gz IVJPVNNPDAGMHG-APWZRJJASA-N 1 0 406.527 0.121 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000672257318 1080533346 /nfs/dbraw/zinc/53/33/46/1080533346.db2.gz IVJPVNNPDAGMHG-LPHOPBHVSA-N 1 0 406.527 0.121 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CN(C)CCO1 ZINC000672257319 1080533115 /nfs/dbraw/zinc/53/31/15/1080533115.db2.gz IVJPVNNPDAGMHG-QFBILLFUSA-N 1 0 406.527 0.121 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CN(C)CCO1 ZINC000672257320 1080533401 /nfs/dbraw/zinc/53/34/01/1080533401.db2.gz IVJPVNNPDAGMHG-VQIMIIECSA-N 1 0 406.527 0.121 20 0 HCADRO COc1ccccc1OCCCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000672258046 1080533279 /nfs/dbraw/zinc/53/32/79/1080533279.db2.gz DBCVQKFEMQMUNS-UHFFFAOYSA-N 1 0 406.527 0.723 20 0 HCADRO COc1ccccc1OCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672259490 1080530448 /nfs/dbraw/zinc/53/04/48/1080530448.db2.gz OWJRHBMOCIFKES-GOSISDBHSA-N 1 0 418.538 0.819 20 0 HCADRO COc1ccccc1OCCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672259491 1080530642 /nfs/dbraw/zinc/53/06/42/1080530642.db2.gz OWJRHBMOCIFKES-SFHVURJKSA-N 1 0 418.538 0.819 20 0 HCADRO COc1ccccc1OCCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672259504 1080530483 /nfs/dbraw/zinc/53/04/83/1080530483.db2.gz QMNMQDCQXUVINP-KRWDZBQOSA-N 1 0 418.538 0.865 20 0 HCADRO COc1ccccc1OCCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672259505 1080530699 /nfs/dbraw/zinc/53/06/99/1080530699.db2.gz QMNMQDCQXUVINP-QGZVFWFLSA-N 1 0 418.538 0.865 20 0 HCADRO CCNS(=O)(=O)c1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000672261595 1080539975 /nfs/dbraw/zinc/53/99/75/1080539975.db2.gz JFWHCPYACFUILQ-ALOPSCKCSA-N 1 0 422.551 0.798 20 0 HCADRO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000672261695 1080539873 /nfs/dbraw/zinc/53/98/73/1080539873.db2.gz CHDOASIKPDBOTC-AGUYFDCRSA-N 1 0 412.512 0.357 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000672261846 1080539913 /nfs/dbraw/zinc/53/99/13/1080539913.db2.gz AOWTXISLDDIVIT-CRAIPNDOSA-N 1 0 422.551 0.163 20 0 HCADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000672261847 1080540045 /nfs/dbraw/zinc/54/00/45/1080540045.db2.gz AOWTXISLDDIVIT-MAUKXSAKSA-N 1 0 422.551 0.163 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000672261848 1080539946 /nfs/dbraw/zinc/53/99/46/1080539946.db2.gz AOWTXISLDDIVIT-QAPCUYQASA-N 1 0 422.551 0.163 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000672261849 1080540254 /nfs/dbraw/zinc/54/02/54/1080540254.db2.gz AOWTXISLDDIVIT-YJBOKZPZSA-N 1 0 422.551 0.163 20 0 HCADRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000672262269 1080534218 /nfs/dbraw/zinc/53/42/18/1080534218.db2.gz VTNBYEXBHZCBBK-XYTVBORESA-N 1 0 422.551 0.553 20 0 HCADRO COc1ccc(CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1F ZINC000672264711 1080535523 /nfs/dbraw/zinc/53/55/23/1080535523.db2.gz SOMQQMYHAOFMIX-KRWDZBQOSA-N 1 0 406.502 0.731 20 0 HCADRO COc1ccc(CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1F ZINC000672264712 1080535663 /nfs/dbraw/zinc/53/56/63/1080535663.db2.gz SOMQQMYHAOFMIX-QGZVFWFLSA-N 1 0 406.502 0.731 20 0 HCADRO COc1ccc(CCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000672264722 1080535864 /nfs/dbraw/zinc/53/58/64/1080535864.db2.gz VSSKJDUXJHQPRP-INIZCTEOSA-N 1 0 406.502 0.778 20 0 HCADRO COc1ccc(CCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000672264723 1080535552 /nfs/dbraw/zinc/53/55/52/1080535552.db2.gz VSSKJDUXJHQPRP-MRXNPFEDSA-N 1 0 406.502 0.778 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000672265179 1080535507 /nfs/dbraw/zinc/53/55/07/1080535507.db2.gz GRTOFLLBGVALKU-CRAIPNDOSA-N 1 0 417.506 0.732 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000672265180 1080535744 /nfs/dbraw/zinc/53/57/44/1080535744.db2.gz GRTOFLLBGVALKU-MAUKXSAKSA-N 1 0 417.506 0.732 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000672265181 1080535951 /nfs/dbraw/zinc/53/59/51/1080535951.db2.gz GRTOFLLBGVALKU-QAPCUYQASA-N 1 0 417.506 0.732 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000672265182 1080535804 /nfs/dbraw/zinc/53/58/04/1080535804.db2.gz GRTOFLLBGVALKU-YJBOKZPZSA-N 1 0 417.506 0.732 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2 ZINC000672265473 1080537306 /nfs/dbraw/zinc/53/73/06/1080537306.db2.gz OHEDXVNJBDFBQF-KRWDZBQOSA-N 1 0 417.506 0.876 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2 ZINC000672265474 1080537228 /nfs/dbraw/zinc/53/72/28/1080537228.db2.gz OHEDXVNJBDFBQF-QGZVFWFLSA-N 1 0 417.506 0.876 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C2 ZINC000672265523 1080536449 /nfs/dbraw/zinc/53/64/49/1080536449.db2.gz QHBVXBYYFJSYOV-INIZCTEOSA-N 1 0 405.495 0.420 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C2 ZINC000672265524 1080536474 /nfs/dbraw/zinc/53/64/74/1080536474.db2.gz QHBVXBYYFJSYOV-MRXNPFEDSA-N 1 0 405.495 0.420 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C2 ZINC000672265952 1080536361 /nfs/dbraw/zinc/53/63/61/1080536361.db2.gz DZNNEDWUGYQOGY-INIZCTEOSA-N 1 0 404.511 0.257 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C2 ZINC000672265953 1080536697 /nfs/dbraw/zinc/53/66/97/1080536697.db2.gz DZNNEDWUGYQOGY-MRXNPFEDSA-N 1 0 404.511 0.257 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C2 ZINC000672265990 1080536494 /nfs/dbraw/zinc/53/64/94/1080536494.db2.gz FRLDQPJFYHZKHD-KRWDZBQOSA-N 1 0 404.511 0.211 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C2 ZINC000672265991 1080536616 /nfs/dbraw/zinc/53/66/16/1080536616.db2.gz FRLDQPJFYHZKHD-QGZVFWFLSA-N 1 0 404.511 0.211 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)C2 ZINC000672268111 1080538393 /nfs/dbraw/zinc/53/83/93/1080538393.db2.gz LHFJCDFRBVLMST-FUHWJXTLSA-N 1 0 417.506 0.686 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)C2 ZINC000672268112 1080538310 /nfs/dbraw/zinc/53/83/10/1080538310.db2.gz LHFJCDFRBVLMST-WMZOPIPTSA-N 1 0 417.506 0.686 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C2 ZINC000672268552 1080542412 /nfs/dbraw/zinc/54/24/12/1080542412.db2.gz FLYLMPISZMURSY-BFYDXBDKSA-N 1 0 405.495 0.730 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000672268553 1080542054 /nfs/dbraw/zinc/54/20/54/1080542054.db2.gz FLYLMPISZMURSY-HLLBOEOZSA-N 1 0 405.495 0.730 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000672268554 1080542198 /nfs/dbraw/zinc/54/21/98/1080542198.db2.gz FLYLMPISZMURSY-UXLLHSPISA-N 1 0 405.495 0.730 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C2 ZINC000672268555 1080542341 /nfs/dbraw/zinc/54/23/41/1080542341.db2.gz FLYLMPISZMURSY-YQQAZPJKSA-N 1 0 405.495 0.730 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN([C@H]3CCC[N@H+](C)C3)CC1)C2 ZINC000672268716 1080542319 /nfs/dbraw/zinc/54/23/19/1080542319.db2.gz HALITSNUQWKRPL-MSOLQXFVSA-N 1 0 416.522 0.353 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN([C@@H]3CCC[N@H+](C)C3)CC1)C2 ZINC000672268717 1080542448 /nfs/dbraw/zinc/54/24/48/1080542448.db2.gz HALITSNUQWKRPL-QZTJIDSGSA-N 1 0 416.522 0.353 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN([C@H]3CCC[N@H+](C)C3)CC1)C2 ZINC000672268718 1080542129 /nfs/dbraw/zinc/54/21/29/1080542129.db2.gz HALITSNUQWKRPL-ROUUACIJSA-N 1 0 416.522 0.353 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN([C@@H]3CCC[N@H+](C)C3)CC1)C2 ZINC000672268719 1080542433 /nfs/dbraw/zinc/54/24/33/1080542433.db2.gz HALITSNUQWKRPL-ZWKOTPCHSA-N 1 0 416.522 0.353 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[N@@H+](C3CCOCC3)C[C@H]1C)C2 ZINC000672268832 1080541628 /nfs/dbraw/zinc/54/16/28/1080541628.db2.gz WJQXJFOVEMDVQU-NVXWUHKLSA-N 1 0 417.506 0.827 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[N@@H+](C3CCOCC3)C[C@H]1C)C2 ZINC000672268833 1080541734 /nfs/dbraw/zinc/54/17/34/1080541734.db2.gz WJQXJFOVEMDVQU-WBVHZDCISA-N 1 0 417.506 0.827 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000672269122 1080541235 /nfs/dbraw/zinc/54/12/35/1080541235.db2.gz LHFJCDFRBVLMST-AEFFLSMTSA-N 1 0 417.506 0.686 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000672269123 1080541154 /nfs/dbraw/zinc/54/11/54/1080541154.db2.gz LHFJCDFRBVLMST-SJLPKXTDSA-N 1 0 417.506 0.686 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C2 ZINC000672269525 1080543669 /nfs/dbraw/zinc/54/36/69/1080543669.db2.gz UHEASGDRULALPZ-DLBZAZTESA-N 1 0 405.495 0.684 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C2 ZINC000672269526 1080543622 /nfs/dbraw/zinc/54/36/22/1080543622.db2.gz UHEASGDRULALPZ-IAGOWNOFSA-N 1 0 405.495 0.684 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C2 ZINC000672269527 1080543399 /nfs/dbraw/zinc/54/33/99/1080543399.db2.gz UHEASGDRULALPZ-IRXDYDNUSA-N 1 0 405.495 0.684 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C2 ZINC000672269528 1080543657 /nfs/dbraw/zinc/54/36/57/1080543657.db2.gz UHEASGDRULALPZ-SJORKVTESA-N 1 0 405.495 0.684 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C2 ZINC000672269531 1080543636 /nfs/dbraw/zinc/54/36/36/1080543636.db2.gz UJADNCBLAFUVSK-INIZCTEOSA-N 1 0 405.495 0.684 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C2 ZINC000672269532 1080543612 /nfs/dbraw/zinc/54/36/12/1080543612.db2.gz UJADNCBLAFUVSK-MRXNPFEDSA-N 1 0 405.495 0.684 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)C2 ZINC000672269640 1080542802 /nfs/dbraw/zinc/54/28/02/1080542802.db2.gz WADOJKPUCQWBCD-DLBZAZTESA-N 1 0 416.522 0.400 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)C2 ZINC000672269641 1080543057 /nfs/dbraw/zinc/54/30/57/1080543057.db2.gz WADOJKPUCQWBCD-IAGOWNOFSA-N 1 0 416.522 0.400 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)C2 ZINC000672269642 1080543680 /nfs/dbraw/zinc/54/36/80/1080543680.db2.gz WADOJKPUCQWBCD-IRXDYDNUSA-N 1 0 416.522 0.400 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)C2 ZINC000672269643 1080543512 /nfs/dbraw/zinc/54/35/12/1080543512.db2.gz WADOJKPUCQWBCD-SJORKVTESA-N 1 0 416.522 0.400 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C2 ZINC000672269691 1080543431 /nfs/dbraw/zinc/54/34/31/1080543431.db2.gz XDRMETHAUBFZLW-KRWDZBQOSA-N 1 0 418.538 0.599 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C2 ZINC000672269692 1080543566 /nfs/dbraw/zinc/54/35/66/1080543566.db2.gz XDRMETHAUBFZLW-QGZVFWFLSA-N 1 0 418.538 0.599 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C2 ZINC000672269769 1080542926 /nfs/dbraw/zinc/54/29/26/1080542926.db2.gz YVCGNWMBOJOSOJ-DOTOQJQBSA-N 1 0 405.495 0.732 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C2 ZINC000672269770 1080542967 /nfs/dbraw/zinc/54/29/67/1080542967.db2.gz YVCGNWMBOJOSOJ-NVXWUHKLSA-N 1 0 405.495 0.732 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C2 ZINC000672269771 1080542711 /nfs/dbraw/zinc/54/27/11/1080542711.db2.gz YVCGNWMBOJOSOJ-RDJZCZTQSA-N 1 0 405.495 0.732 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C2 ZINC000672269772 1080542867 /nfs/dbraw/zinc/54/28/67/1080542867.db2.gz YVCGNWMBOJOSOJ-WBVHZDCISA-N 1 0 405.495 0.732 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCC(C[NH+]3CCOCC3)CC1)C2 ZINC000672269795 1080542729 /nfs/dbraw/zinc/54/27/29/1080542729.db2.gz ZEULRILRPGDNSD-GOSISDBHSA-N 1 0 417.506 0.686 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCC(C[NH+]3CCOCC3)CC1)C2 ZINC000672269796 1080542848 /nfs/dbraw/zinc/54/28/48/1080542848.db2.gz ZEULRILRPGDNSD-SFHVURJKSA-N 1 0 417.506 0.686 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[NH+](CC3CCOCC3)CC1)C2 ZINC000672270398 1080544918 /nfs/dbraw/zinc/54/49/18/1080544918.db2.gz QMIABAKVEIMSTB-GOSISDBHSA-N 1 0 417.506 0.686 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[NH+](CC3CCOCC3)CC1)C2 ZINC000672270400 1080544944 /nfs/dbraw/zinc/54/49/44/1080544944.db2.gz QMIABAKVEIMSTB-SFHVURJKSA-N 1 0 417.506 0.686 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[N@@H+](C3CCOCC3)C[C@@H]1C)C2 ZINC000672270764 1080545042 /nfs/dbraw/zinc/54/50/42/1080545042.db2.gz WJQXJFOVEMDVQU-DOTOQJQBSA-N 1 0 417.506 0.827 20 0 HCADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[N@@H+](C3CCOCC3)C[C@@H]1C)C2 ZINC000672270765 1080545143 /nfs/dbraw/zinc/54/51/43/1080545143.db2.gz WJQXJFOVEMDVQU-RDJZCZTQSA-N 1 0 417.506 0.827 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(N(C)CCC[NH+]2CCCC2)c(S(N)(=O)=O)c1 ZINC000672273541 1080546059 /nfs/dbraw/zinc/54/60/59/1080546059.db2.gz LODLEPHYVWMKPL-UHFFFAOYSA-N 1 0 404.558 0.506 20 0 HCADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1 ZINC000672277842 1080546908 /nfs/dbraw/zinc/54/69/08/1080546908.db2.gz ZRKPJFLSRPRKBS-DOTOQJQBSA-N 1 0 424.567 0.772 20 0 HCADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1 ZINC000672277844 1080546811 /nfs/dbraw/zinc/54/68/11/1080546811.db2.gz ZRKPJFLSRPRKBS-NVXWUHKLSA-N 1 0 424.567 0.772 20 0 HCADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccccc1 ZINC000672278023 1080546896 /nfs/dbraw/zinc/54/68/96/1080546896.db2.gz NGYLFAOGBRPVMS-AWEZNQCLSA-N 1 0 410.540 0.240 20 0 HCADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccccc1 ZINC000672278024 1080546866 /nfs/dbraw/zinc/54/68/66/1080546866.db2.gz NGYLFAOGBRPVMS-CQSZACIVSA-N 1 0 410.540 0.240 20 0 HCADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)C(=O)N[C@H]2CCOC2)CC1 ZINC000672281038 1080546930 /nfs/dbraw/zinc/54/69/30/1080546930.db2.gz BOASKCWZFLVGPR-HNNXBMFYSA-N 1 0 414.428 0.979 20 0 HCADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)C(=O)N[C@@H]2CCOC2)CC1 ZINC000672281048 1080547232 /nfs/dbraw/zinc/54/72/32/1080547232.db2.gz BOASKCWZFLVGPR-OAHLLOKOSA-N 1 0 414.428 0.979 20 0 HCADRO O=C(N[C@H]1CCOC1)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000672283940 1080548403 /nfs/dbraw/zinc/54/84/03/1080548403.db2.gz NPZUOCRATFZCCW-MSOLQXFVSA-N 1 0 401.511 0.347 20 0 HCADRO O=C(N[C@@H]1CCOC1)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000672283941 1080548317 /nfs/dbraw/zinc/54/83/17/1080548317.db2.gz NPZUOCRATFZCCW-QZTJIDSGSA-N 1 0 401.511 0.347 20 0 HCADRO O=C(N[C@H]1CCOC1)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000672283942 1080548247 /nfs/dbraw/zinc/54/82/47/1080548247.db2.gz NPZUOCRATFZCCW-ROUUACIJSA-N 1 0 401.511 0.347 20 0 HCADRO O=C(N[C@@H]1CCOC1)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000672283943 1080548339 /nfs/dbraw/zinc/54/83/39/1080548339.db2.gz NPZUOCRATFZCCW-ZWKOTPCHSA-N 1 0 401.511 0.347 20 0 HCADRO CCC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccn1 ZINC000672286939 1080547668 /nfs/dbraw/zinc/54/76/68/1080547668.db2.gz FGLKDVQWBMLHSW-MSOLQXFVSA-N 1 0 401.511 0.804 20 0 HCADRO CCC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccn1 ZINC000672286940 1080547736 /nfs/dbraw/zinc/54/77/36/1080547736.db2.gz FGLKDVQWBMLHSW-QZTJIDSGSA-N 1 0 401.511 0.804 20 0 HCADRO CCC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccn1 ZINC000672286941 1080547906 /nfs/dbraw/zinc/54/79/06/1080547906.db2.gz FGLKDVQWBMLHSW-ROUUACIJSA-N 1 0 401.511 0.804 20 0 HCADRO CCC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccn1 ZINC000672286942 1080547800 /nfs/dbraw/zinc/54/78/00/1080547800.db2.gz FGLKDVQWBMLHSW-ZWKOTPCHSA-N 1 0 401.511 0.804 20 0 HCADRO CCC[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccn1 ZINC000672294259 1080549907 /nfs/dbraw/zinc/54/99/07/1080549907.db2.gz XQNKISCKYHXTKZ-GOSISDBHSA-N 1 0 401.511 0.806 20 0 HCADRO CCC[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccn1 ZINC000672294260 1080550012 /nfs/dbraw/zinc/55/00/12/1080550012.db2.gz XQNKISCKYHXTKZ-SFHVURJKSA-N 1 0 401.511 0.806 20 0 HCADRO CCO[C@@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000672301423 1080554882 /nfs/dbraw/zinc/55/48/82/1080554882.db2.gz OFHGSHBZFZOFDQ-GOSISDBHSA-N 1 0 418.542 0.523 20 0 HCADRO CCO[C@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000672301424 1080554731 /nfs/dbraw/zinc/55/47/31/1080554731.db2.gz OFHGSHBZFZOFDQ-SFHVURJKSA-N 1 0 418.542 0.523 20 0 HCADRO C[C@H]1COCCCN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301445 1080553531 /nfs/dbraw/zinc/55/35/31/1080553531.db2.gz VYVBMPPRHYTLJO-KRWDZBQOSA-N 1 0 404.515 0.132 20 0 HCADRO C[C@@H]1COCCCN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301446 1080553415 /nfs/dbraw/zinc/55/34/15/1080553415.db2.gz VYVBMPPRHYTLJO-QGZVFWFLSA-N 1 0 404.515 0.132 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000672301447 1080554223 /nfs/dbraw/zinc/55/42/23/1080554223.db2.gz WJHFRRSNAHKADG-NRFANRHFSA-N 1 0 416.526 0.134 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000672301448 1080554114 /nfs/dbraw/zinc/55/41/14/1080554114.db2.gz WJHFRRSNAHKADG-OAQYLSRUSA-N 1 0 416.526 0.134 20 0 HCADRO COC[C@@H]1CCCN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301470 1080554155 /nfs/dbraw/zinc/55/41/55/1080554155.db2.gz JERHWZKRGKSDSN-KRWDZBQOSA-N 1 0 404.515 0.132 20 0 HCADRO COC[C@H]1CCCN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301471 1080554293 /nfs/dbraw/zinc/55/42/93/1080554293.db2.gz JERHWZKRGKSDSN-QGZVFWFLSA-N 1 0 404.515 0.132 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NCc1ccc(F)cn1 ZINC000672301482 1080554206 /nfs/dbraw/zinc/55/42/06/1080554206.db2.gz MWKIXVZCJMZQPR-UHFFFAOYSA-N 1 0 415.473 0.346 20 0 HCADRO CCN(C[C@H]1CCOC1)C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301489 1080554094 /nfs/dbraw/zinc/55/40/94/1080554094.db2.gz PCPCMCWYPMESRK-GOSISDBHSA-N 1 0 418.542 0.380 20 0 HCADRO CCN(C[C@@H]1CCOC1)C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301490 1080554038 /nfs/dbraw/zinc/55/40/38/1080554038.db2.gz PCPCMCWYPMESRK-SFHVURJKSA-N 1 0 418.542 0.380 20 0 HCADRO COC1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000672301531 1080554011 /nfs/dbraw/zinc/55/40/11/1080554011.db2.gz LVMXYLSSUXYIHX-UHFFFAOYSA-N 1 0 404.515 0.132 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCCO1 ZINC000672301532 1080554138 /nfs/dbraw/zinc/55/41/38/1080554138.db2.gz MHURSSSFKGFUNA-MSOLQXFVSA-N 1 0 418.542 0.569 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCCO1 ZINC000672301533 1080554277 /nfs/dbraw/zinc/55/42/77/1080554277.db2.gz MHURSSSFKGFUNA-QZTJIDSGSA-N 1 0 418.542 0.569 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCCO1 ZINC000672301534 1080554262 /nfs/dbraw/zinc/55/42/62/1080554262.db2.gz MHURSSSFKGFUNA-ROUUACIJSA-N 1 0 418.542 0.569 20 0 HCADRO C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCCO1 ZINC000672301535 1080554172 /nfs/dbraw/zinc/55/41/72/1080554172.db2.gz MHURSSSFKGFUNA-ZWKOTPCHSA-N 1 0 418.542 0.569 20 0 HCADRO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301548 1080554188 /nfs/dbraw/zinc/55/41/88/1080554188.db2.gz XKAXCHFTTLXCJU-MSOLQXFVSA-N 1 0 418.542 0.426 20 0 HCADRO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301549 1080554250 /nfs/dbraw/zinc/55/42/50/1080554250.db2.gz XKAXCHFTTLXCJU-QZTJIDSGSA-N 1 0 418.542 0.426 20 0 HCADRO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301550 1080554237 /nfs/dbraw/zinc/55/42/37/1080554237.db2.gz XKAXCHFTTLXCJU-ROUUACIJSA-N 1 0 418.542 0.426 20 0 HCADRO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301551 1080554603 /nfs/dbraw/zinc/55/46/03/1080554603.db2.gz XKAXCHFTTLXCJU-ZWKOTPCHSA-N 1 0 418.542 0.426 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000672301554 1080554749 /nfs/dbraw/zinc/55/47/49/1080554749.db2.gz ZWERHLRBGVYWAP-MSOLQXFVSA-N 1 0 400.527 0.896 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[C@H]2CCC[C@H]21 ZINC000672301555 1080554585 /nfs/dbraw/zinc/55/45/85/1080554585.db2.gz ZWERHLRBGVYWAP-QZTJIDSGSA-N 1 0 400.527 0.896 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000672301556 1080554667 /nfs/dbraw/zinc/55/46/67/1080554667.db2.gz ZWERHLRBGVYWAP-ROUUACIJSA-N 1 0 400.527 0.896 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000672301557 1080554906 /nfs/dbraw/zinc/55/49/06/1080554906.db2.gz ZWERHLRBGVYWAP-ZWKOTPCHSA-N 1 0 400.527 0.896 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000672301597 1080553433 /nfs/dbraw/zinc/55/34/33/1080553433.db2.gz LCMPNBPSORGTJI-MSOLQXFVSA-N 1 0 416.526 0.179 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000672301598 1080553679 /nfs/dbraw/zinc/55/36/79/1080553679.db2.gz LCMPNBPSORGTJI-QZTJIDSGSA-N 1 0 416.526 0.179 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000672301599 1080553547 /nfs/dbraw/zinc/55/35/47/1080553547.db2.gz LCMPNBPSORGTJI-ROUUACIJSA-N 1 0 416.526 0.179 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000672301600 1080553447 /nfs/dbraw/zinc/55/34/47/1080553447.db2.gz LCMPNBPSORGTJI-ZWKOTPCHSA-N 1 0 416.526 0.179 20 0 HCADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672304036 1080554824 /nfs/dbraw/zinc/55/48/24/1080554824.db2.gz FWDGSSYIEVMMRR-HKUYNNGSSA-N 1 0 414.554 0.309 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672304038 1080554924 /nfs/dbraw/zinc/55/49/24/1080554924.db2.gz FWDGSSYIEVMMRR-IEBWSBKVSA-N 1 0 414.554 0.309 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672304039 1080554698 /nfs/dbraw/zinc/55/46/98/1080554698.db2.gz FWDGSSYIEVMMRR-MJGOQNOKSA-N 1 0 414.554 0.309 20 0 HCADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672304040 1080555300 /nfs/dbraw/zinc/55/53/00/1080555300.db2.gz FWDGSSYIEVMMRR-PKOBYXMFSA-N 1 0 414.554 0.309 20 0 HCADRO CN1CCN([C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c2cccs2)CC1 ZINC000672304119 1080555007 /nfs/dbraw/zinc/55/50/07/1080555007.db2.gz IJMQOHQYYXXTIO-MSOLQXFVSA-N 1 0 419.595 0.753 20 0 HCADRO CN1CCN([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c2cccs2)CC1 ZINC000672304120 1080554619 /nfs/dbraw/zinc/55/46/19/1080554619.db2.gz IJMQOHQYYXXTIO-QZTJIDSGSA-N 1 0 419.595 0.753 20 0 HCADRO CN1CCN([C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c2cccs2)CC1 ZINC000672304121 1080554970 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C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000672312152 1080559328 /nfs/dbraw/zinc/55/93/28/1080559328.db2.gz XDFWMMAPASTIHH-IOMROCGXSA-N 1 0 414.550 0.993 20 0 HCADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000672312153 1080559821 /nfs/dbraw/zinc/55/98/21/1080559821.db2.gz XDFWMMAPASTIHH-WMQCIHAUSA-N 1 0 414.550 0.993 20 0 HCADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000672312154 1080559899 /nfs/dbraw/zinc/55/98/99/1080559899.db2.gz XDFWMMAPASTIHH-YYWHXJBOSA-N 1 0 414.550 0.993 20 0 HCADRO CCc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)ncn1 ZINC000672312358 1080562722 /nfs/dbraw/zinc/56/27/22/1080562722.db2.gz HXEKDDRTVZJCBY-GOSISDBHSA-N 1 0 400.527 0.725 20 0 HCADRO CCc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)ncn1 ZINC000672312359 1080562542 /nfs/dbraw/zinc/56/25/42/1080562542.db2.gz HXEKDDRTVZJCBY-SFHVURJKSA-N 1 0 400.527 0.725 20 0 HCADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672312371 1080562339 /nfs/dbraw/zinc/56/23/39/1080562339.db2.gz IRBJXHBXZZKPNA-KRWDZBQOSA-N 1 0 420.535 0.443 20 0 HCADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672312372 1080562505 /nfs/dbraw/zinc/56/25/05/1080562505.db2.gz IRBJXHBXZZKPNA-QGZVFWFLSA-N 1 0 420.535 0.443 20 0 HCADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000672312912 1080560202 /nfs/dbraw/zinc/56/02/02/1080560202.db2.gz KZUCXINOZMQOQM-GOSISDBHSA-N 1 0 408.543 0.071 20 0 HCADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000672312913 1080560618 /nfs/dbraw/zinc/56/06/18/1080560618.db2.gz KZUCXINOZMQOQM-SFHVURJKSA-N 1 0 408.543 0.071 20 0 HCADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)cn1 ZINC000672313098 1080562951 /nfs/dbraw/zinc/56/29/51/1080562951.db2.gz HANRDYPXHZHCCU-KRWDZBQOSA-N 1 0 418.542 0.266 20 0 HCADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)cn1 ZINC000672313099 1080563149 /nfs/dbraw/zinc/56/31/49/1080563149.db2.gz HANRDYPXHZHCCU-QGZVFWFLSA-N 1 0 418.542 0.266 20 0 HCADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000672313129 1080562308 /nfs/dbraw/zinc/56/23/08/1080562308.db2.gz MXRMODYOPAPGEK-KRWDZBQOSA-N 1 0 401.511 0.538 20 0 HCADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000672313130 1080562374 /nfs/dbraw/zinc/56/23/74/1080562374.db2.gz MXRMODYOPAPGEK-QGZVFWFLSA-N 1 0 401.511 0.538 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000672313137 1080562494 /nfs/dbraw/zinc/56/24/94/1080562494.db2.gz OXKGHLUWZXLSEH-UHFFFAOYSA-N 1 0 416.526 0.195 20 0 HCADRO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000672313156 1080563072 /nfs/dbraw/zinc/56/30/72/1080563072.db2.gz VGGFTIHFQUEPIO-UHFFFAOYSA-N 1 0 423.558 0.400 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000672313186 1080562966 /nfs/dbraw/zinc/56/29/66/1080562966.db2.gz CRLOGZQFNDPIAF-KBPBESRZSA-N 1 0 407.433 0.926 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000672313187 1080563104 /nfs/dbraw/zinc/56/31/04/1080563104.db2.gz CRLOGZQFNDPIAF-KGLIPLIRSA-N 1 0 407.433 0.926 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000672313188 1080562896 /nfs/dbraw/zinc/56/28/96/1080562896.db2.gz CRLOGZQFNDPIAF-UONOGXRCSA-N 1 0 407.433 0.926 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000672313189 1080563029 /nfs/dbraw/zinc/56/30/29/1080563029.db2.gz CRLOGZQFNDPIAF-ZIAGYGMSSA-N 1 0 407.433 0.926 20 0 HCADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N(CCO)CCc1ccccc1 ZINC000672313303 1080561337 /nfs/dbraw/zinc/56/13/37/1080561337.db2.gz XZOUOCHMGKZCJR-UHFFFAOYSA-N 1 0 403.523 0.811 20 0 HCADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672313340 1080561541 /nfs/dbraw/zinc/56/15/41/1080561541.db2.gz JEFRVIYWDFREDE-GOSISDBHSA-N 1 0 420.554 0.655 20 0 HCADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672313341 1080561878 /nfs/dbraw/zinc/56/18/78/1080561878.db2.gz JEFRVIYWDFREDE-SFHVURJKSA-N 1 0 420.554 0.655 20 0 HCADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000672313436 1080561536 /nfs/dbraw/zinc/56/15/36/1080561536.db2.gz CQRIXCDGSMDVIX-UHFFFAOYSA-N 1 0 414.506 0.623 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H](C)[C@H](C)N3CCOCC3)CC2)CC1 ZINC000672319464 1080565496 /nfs/dbraw/zinc/56/54/96/1080565496.db2.gz WXTHORLEAFJZTH-MOPGFXCFSA-N 1 0 423.602 0.229 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)N3CCOCC3)CC2)CC1 ZINC000672319465 1080565287 /nfs/dbraw/zinc/56/52/87/1080565287.db2.gz WXTHORLEAFJZTH-OALUTQOASA-N 1 0 423.602 0.229 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)N3CCOCC3)CC2)CC1 ZINC000672319466 1080565344 /nfs/dbraw/zinc/56/53/44/1080565344.db2.gz WXTHORLEAFJZTH-RBUKOAKNSA-N 1 0 423.602 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CN(C(=O)C(=O)NCCCN1CCCCC1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672320573 1080564040 /nfs/dbraw/zinc/56/40/40/1080564040.db2.gz HONPVWXMHUICMG-GOSISDBHSA-N 1 0 407.559 0.132 20 0 HCADRO CN(C(=O)C(=O)NCCCN1CCCCC1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672320574 1080563993 /nfs/dbraw/zinc/56/39/93/1080563993.db2.gz HONPVWXMHUICMG-SFHVURJKSA-N 1 0 407.559 0.132 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCCCN3CCCCC3=O)CC2)CC1 ZINC000672320673 1080563916 /nfs/dbraw/zinc/56/39/16/1080563916.db2.gz OZLNLMPRVJHKFW-UHFFFAOYSA-N 1 0 421.586 0.522 20 0 HCADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000672320779 1080563383 /nfs/dbraw/zinc/56/33/83/1080563383.db2.gz WYYKGZYHAXAPKU-INIZCTEOSA-N 1 0 408.524 0.411 20 0 HCADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000672330084 1080566866 /nfs/dbraw/zinc/56/68/66/1080566866.db2.gz JRGYHEWCOFGAPB-KRWDZBQOSA-N 1 0 407.559 0.132 20 0 HCADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 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O=C(NCCOC[C@H]1CCOC1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000672369209 1080582972 /nfs/dbraw/zinc/58/29/72/1080582972.db2.gz XLFAESVPPPDSFI-KRWDZBQOSA-N 1 0 419.522 0.429 20 0 HCADRO O=C(NCCOC[C@@H]1CCOC1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000672369210 1080582945 /nfs/dbraw/zinc/58/29/45/1080582945.db2.gz XLFAESVPPPDSFI-QGZVFWFLSA-N 1 0 419.522 0.429 20 0 HCADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000672369607 1080584103 /nfs/dbraw/zinc/58/41/03/1080584103.db2.gz QTYFVSXQZVRGAQ-DLBZAZTESA-N 1 0 404.511 0.893 20 0 HCADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000672369608 1080584051 /nfs/dbraw/zinc/58/40/51/1080584051.db2.gz QTYFVSXQZVRGAQ-IAGOWNOFSA-N 1 0 404.511 0.893 20 0 HCADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000672369609 1080584174 /nfs/dbraw/zinc/58/41/74/1080584174.db2.gz QTYFVSXQZVRGAQ-IRXDYDNUSA-N 1 0 404.511 0.893 20 0 HCADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000672369610 1080584211 /nfs/dbraw/zinc/58/42/11/1080584211.db2.gz QTYFVSXQZVRGAQ-SJORKVTESA-N 1 0 404.511 0.893 20 0 HCADRO O=C(NCCOC[C@H]1CCOC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000672370437 1080584941 /nfs/dbraw/zinc/58/49/41/1080584941.db2.gz RAAJTYXDENEARY-PMACEKPBSA-N 1 0 419.522 0.563 20 0 HCADRO O=C(NCCOC[C@@H]1CCOC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000672370456 1080584999 /nfs/dbraw/zinc/58/49/99/1080584999.db2.gz RAAJTYXDENEARY-UXHICEINSA-N 1 0 419.522 0.563 20 0 HCADRO O=C(NCCOC[C@H]1CCOC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000672370457 1080585388 /nfs/dbraw/zinc/58/53/88/1080585388.db2.gz RAAJTYXDENEARY-VQTJNVASSA-N 1 0 419.522 0.563 20 0 HCADRO O=C(NCCOC[C@@H]1CCOC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000672370458 1080585502 /nfs/dbraw/zinc/58/55/02/1080585502.db2.gz RAAJTYXDENEARY-WOJBJXKFSA-N 1 0 419.522 0.563 20 0 HCADRO O=C(NCCOC[C@H]1CCOC1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000672370483 1080585483 /nfs/dbraw/zinc/58/54/83/1080585483.db2.gz NIBSCFYMNUJQAE-IBGZPJMESA-N 1 0 411.543 0.507 20 0 HCADRO O=C(NCCOC[C@@H]1CCOC1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000672370484 1080585491 /nfs/dbraw/zinc/58/54/91/1080585491.db2.gz NIBSCFYMNUJQAE-LJQANCHMSA-N 1 0 411.543 0.507 20 0 HCADRO O=C(NCCOC[C@@H]1CCOC1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000672370599 1080584966 /nfs/dbraw/zinc/58/49/66/1080584966.db2.gz UOWYMWKWBPBQIN-GOSISDBHSA-N 1 0 411.543 0.555 20 0 HCADRO O=C(NCCOC[C@H]1CCOC1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000672370602 1080584853 /nfs/dbraw/zinc/58/48/53/1080584853.db2.gz UOWYMWKWBPBQIN-SFHVURJKSA-N 1 0 411.543 0.555 20 0 HCADRO O=C(NCCOC[C@@H]1CCOC1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000672370896 1080585120 /nfs/dbraw/zinc/58/51/20/1080585120.db2.gz YCKLAUNSAPQPSX-APWZRJJASA-N 1 0 405.495 0.039 20 0 HCADRO O=C(NCCOC[C@H]1CCOC1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000672370897 1080584907 /nfs/dbraw/zinc/58/49/07/1080584907.db2.gz YCKLAUNSAPQPSX-LPHOPBHVSA-N 1 0 405.495 0.039 20 0 HCADRO O=C(NCCOC[C@H]1CCOC1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000672370898 1080584986 /nfs/dbraw/zinc/58/49/86/1080584986.db2.gz YCKLAUNSAPQPSX-QFBILLFUSA-N 1 0 405.495 0.039 20 0 HCADRO O=C(NCCOC[C@@H]1CCOC1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000672370899 1080584834 /nfs/dbraw/zinc/58/48/34/1080584834.db2.gz YCKLAUNSAPQPSX-VQIMIIECSA-N 1 0 405.495 0.039 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000672371514 1080586024 /nfs/dbraw/zinc/58/60/24/1080586024.db2.gz WFXOUFHECIBSSW-CEXWTWQISA-N 1 0 410.559 0.173 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000672371515 1080585920 /nfs/dbraw/zinc/58/59/20/1080585920.db2.gz WFXOUFHECIBSSW-GUDVDZBRSA-N 1 0 410.559 0.173 20 0 HCADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000672371516 1080585821 /nfs/dbraw/zinc/58/58/21/1080585821.db2.gz WFXOUFHECIBSSW-OTWHNJEPSA-N 1 0 410.559 0.173 20 0 HCADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000672371517 1080585958 /nfs/dbraw/zinc/58/59/58/1080585958.db2.gz WFXOUFHECIBSSW-QRVBRYPASA-N 1 0 410.559 0.173 20 0 HCADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCOC[C@@H]3CCOC3)CC2)CC1 ZINC000672372119 1080585365 /nfs/dbraw/zinc/58/53/65/1080585365.db2.gz GTZIYHFJFMOBTE-GOSISDBHSA-N 1 0 410.559 0.032 20 0 HCADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCOC[C@H]3CCOC3)CC2)CC1 ZINC000672372120 1080585470 /nfs/dbraw/zinc/58/54/70/1080585470.db2.gz GTZIYHFJFMOBTE-SFHVURJKSA-N 1 0 410.559 0.032 20 0 HCADRO O=C(NCCOC[C@@H]1CCOC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000672372185 1080585563 /nfs/dbraw/zinc/58/55/63/1080585563.db2.gz JIWUJZRCIPPQPM-AQNXPRMDSA-N 1 0 401.507 0.746 20 0 HCADRO O=C(NCCOC[C@H]1CCOC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000672372187 1080585347 /nfs/dbraw/zinc/58/53/47/1080585347.db2.gz JIWUJZRCIPPQPM-SLFFLAALSA-N 1 0 401.507 0.746 20 0 HCADRO CN1CCC(CNC(=O)C(=O)NCCOC[C@@H]2CCOC2)([NH+]2CCCCC2)CC1 ZINC000672372762 1080586304 /nfs/dbraw/zinc/58/63/04/1080586304.db2.gz HQMREKJPUZNTGI-GOSISDBHSA-N 1 0 410.559 0.222 20 0 HCADRO CN1CCC(CNC(=O)C(=O)NCCOC[C@H]2CCOC2)([NH+]2CCCCC2)CC1 ZINC000672372763 1080586867 /nfs/dbraw/zinc/58/68/67/1080586867.db2.gz HQMREKJPUZNTGI-SFHVURJKSA-N 1 0 410.559 0.222 20 0 HCADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000672375194 1080581023 /nfs/dbraw/zinc/58/10/23/1080581023.db2.gz BMSVQNVGGHJFMA-HNNXBMFYSA-N 1 0 422.551 0.336 20 0 HCADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000672375195 1080581145 /nfs/dbraw/zinc/58/11/45/1080581145.db2.gz BMSVQNVGGHJFMA-OAHLLOKOSA-N 1 0 422.551 0.336 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CC[C@H](CO)C1 ZINC000672385439 1080590932 /nfs/dbraw/zinc/59/09/32/1080590932.db2.gz RLDYAMCJHPNXHW-INIZCTEOSA-N 1 0 408.930 0.809 20 0 HCADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CC[C@@H](CO)C1 ZINC000672385440 1080591041 /nfs/dbraw/zinc/59/10/41/1080591041.db2.gz RLDYAMCJHPNXHW-MRXNPFEDSA-N 1 0 408.930 0.809 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000672389518 1080588983 /nfs/dbraw/zinc/58/89/83/1080588983.db2.gz WADHLLHKCUPQLW-IBGZPJMESA-N 1 0 400.523 0.794 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000672389519 1080589127 /nfs/dbraw/zinc/58/91/27/1080589127.db2.gz WADHLLHKCUPQLW-LJQANCHMSA-N 1 0 400.523 0.794 20 0 HCADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000672390315 1080588689 /nfs/dbraw/zinc/58/86/89/1080588689.db2.gz DRJLFLMGOLRNGM-GOSISDBHSA-N 1 0 423.602 0.674 20 0 HCADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000672390366 1080589265 /nfs/dbraw/zinc/58/92/65/1080589265.db2.gz VDBBDFZEPFTIRI-UHFFFAOYSA-N 1 0 409.575 0.237 20 0 HCADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000672390372 1080589304 /nfs/dbraw/zinc/58/93/04/1080589304.db2.gz VWGOTCLBJYRNSR-GOSISDBHSA-N 1 0 421.586 0.380 20 0 HCADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000672390373 1080589408 /nfs/dbraw/zinc/58/94/08/1080589408.db2.gz VWGOTCLBJYRNSR-SFHVURJKSA-N 1 0 421.586 0.380 20 0 HCADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)CC2CCS(=O)(=O)CC2)c2ccccc2O1 ZINC000672390515 1080589158 /nfs/dbraw/zinc/58/91/58/1080589158.db2.gz KQHLVOORXSAYJD-HNNXBMFYSA-N 1 0 402.538 0.970 20 0 HCADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC2CCS(=O)(=O)CC2)c2ccccc2O1 ZINC000672390516 1080589097 /nfs/dbraw/zinc/58/90/97/1080589097.db2.gz KQHLVOORXSAYJD-OAHLLOKOSA-N 1 0 402.538 0.970 20 0 HCADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000672390537 1080589486 /nfs/dbraw/zinc/58/94/86/1080589486.db2.gz SKBANRFNQAMMGH-GOSISDBHSA-N 1 0 407.559 0.038 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000672390538 1080589377 /nfs/dbraw/zinc/58/93/77/1080589377.db2.gz SKBANRFNQAMMGH-SFHVURJKSA-N 1 0 407.559 0.038 20 0 HCADRO CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000672393043 1080589761 /nfs/dbraw/zinc/58/97/61/1080589761.db2.gz QUPBATINBRTLRY-GXTWGEPZSA-N 1 0 401.558 0.748 20 0 HCADRO CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000672393044 1080589715 /nfs/dbraw/zinc/58/97/15/1080589715.db2.gz QUPBATINBRTLRY-JSGCOSHPSA-N 1 0 401.558 0.748 20 0 HCADRO CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000672393045 1080589895 /nfs/dbraw/zinc/58/98/95/1080589895.db2.gz QUPBATINBRTLRY-OCCSQVGLSA-N 1 0 401.558 0.748 20 0 HCADRO CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000672393046 1080590301 /nfs/dbraw/zinc/59/03/01/1080590301.db2.gz QUPBATINBRTLRY-TZMCWYRMSA-N 1 0 401.558 0.748 20 0 HCADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000672399415 1080592205 /nfs/dbraw/zinc/59/22/05/1080592205.db2.gz QQEXJOHKDVAQTR-UHFFFAOYSA-N 1 0 415.560 0.320 20 0 HCADRO Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)C2)nc(C)n1 ZINC000672409108 1080593995 /nfs/dbraw/zinc/59/39/95/1080593995.db2.gz OYBWGNAWWINTFJ-BZSNNMDCSA-N 1 0 400.527 0.731 20 0 HCADRO Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)C2)nc(C)n1 ZINC000672409109 1080594557 /nfs/dbraw/zinc/59/45/57/1080594557.db2.gz OYBWGNAWWINTFJ-FGTMMUONSA-N 1 0 400.527 0.731 20 0 HCADRO Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)C2)nc(C)n1 ZINC000672409110 1080594515 /nfs/dbraw/zinc/59/45/15/1080594515.db2.gz OYBWGNAWWINTFJ-OKZBNKHCSA-N 1 0 400.527 0.731 20 0 HCADRO Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)C2)nc(C)n1 ZINC000672409111 1080594319 /nfs/dbraw/zinc/59/43/19/1080594319.db2.gz OYBWGNAWWINTFJ-SQNIBIBYSA-N 1 0 400.527 0.731 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)NCc2nnnn2-c2ccccc2)CC1 ZINC000672410472 1080595960 /nfs/dbraw/zinc/59/59/60/1080595960.db2.gz FZUGWJBGWNFABC-UHFFFAOYSA-N 1 0 417.514 0.931 20 0 HCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000672410931 1080597182 /nfs/dbraw/zinc/59/71/82/1080597182.db2.gz GAGGBSRJZPBOBF-KGLIPLIRSA-N 1 0 421.464 0.959 20 0 HCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000672410932 1080597258 /nfs/dbraw/zinc/59/72/58/1080597258.db2.gz GAGGBSRJZPBOBF-ZIAGYGMSSA-N 1 0 421.464 0.959 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000672416995 1080596996 /nfs/dbraw/zinc/59/69/96/1080596996.db2.gz MELDUAFLTJLAHK-UHFFFAOYSA-N 1 0 408.565 0.083 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000672427428 1080601948 /nfs/dbraw/zinc/60/19/48/1080601948.db2.gz CYSILVBFGIODRP-DOTOQJQBSA-N 1 0 401.577 0.268 20 0 HCADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000672427429 1080602039 /nfs/dbraw/zinc/60/20/39/1080602039.db2.gz CYSILVBFGIODRP-NVXWUHKLSA-N 1 0 401.577 0.268 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000672427430 1080602022 /nfs/dbraw/zinc/60/20/22/1080602022.db2.gz CYSILVBFGIODRP-RDJZCZTQSA-N 1 0 401.577 0.268 20 0 HCADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000672427431 1080601965 /nfs/dbraw/zinc/60/19/65/1080601965.db2.gz CYSILVBFGIODRP-WBVHZDCISA-N 1 0 401.577 0.268 20 0 HCADRO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672427470 1080602001 /nfs/dbraw/zinc/60/20/01/1080602001.db2.gz HAIBQDOABBKHDW-DOTOQJQBSA-N 1 0 401.577 0.220 20 0 HCADRO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672427471 1080602215 /nfs/dbraw/zinc/60/22/15/1080602215.db2.gz HAIBQDOABBKHDW-NVXWUHKLSA-N 1 0 401.577 0.220 20 0 HCADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672427472 1080602085 /nfs/dbraw/zinc/60/20/85/1080602085.db2.gz HAIBQDOABBKHDW-RDJZCZTQSA-N 1 0 401.577 0.220 20 0 HCADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672427473 1080601815 /nfs/dbraw/zinc/60/18/15/1080601815.db2.gz HAIBQDOABBKHDW-WBVHZDCISA-N 1 0 401.577 0.220 20 0 HCADRO CN(C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1)S(C)(=O)=O ZINC000672427566 1080602061 /nfs/dbraw/zinc/60/20/61/1080602061.db2.gz PBUKRAIHPVMMPW-DLBZAZTESA-N 1 0 415.604 0.468 20 0 HCADRO CN(C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1)S(C)(=O)=O ZINC000672427567 1080601932 /nfs/dbraw/zinc/60/19/32/1080601932.db2.gz PBUKRAIHPVMMPW-IAGOWNOFSA-N 1 0 415.604 0.468 20 0 HCADRO CN(C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1)S(C)(=O)=O ZINC000672427568 1080602190 /nfs/dbraw/zinc/60/21/90/1080602190.db2.gz PBUKRAIHPVMMPW-IRXDYDNUSA-N 1 0 415.604 0.468 20 0 HCADRO CN(C[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1)S(C)(=O)=O ZINC000672427569 1080602011 /nfs/dbraw/zinc/60/20/11/1080602011.db2.gz PBUKRAIHPVMMPW-SJORKVTESA-N 1 0 415.604 0.468 20 0 HCADRO CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@H](C)C1 ZINC000672427592 1080601132 /nfs/dbraw/zinc/60/11/32/1080601132.db2.gz QFMCYCBXZKQANR-CVEARBPZSA-N 1 0 401.577 0.220 20 0 HCADRO CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@H](C)C1 ZINC000672427593 1080600956 /nfs/dbraw/zinc/60/09/56/1080600956.db2.gz QFMCYCBXZKQANR-HZPDHXFCSA-N 1 0 401.577 0.220 20 0 HCADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427594 1080600906 /nfs/dbraw/zinc/60/09/06/1080600906.db2.gz QJMDTYBIIATXSH-GDBMZVCRSA-N 1 0 407.481 0.717 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427595 1080601164 /nfs/dbraw/zinc/60/11/64/1080601164.db2.gz QJMDTYBIIATXSH-GOEBONIOSA-N 1 0 407.481 0.717 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427596 1080601063 /nfs/dbraw/zinc/60/10/63/1080601063.db2.gz QJMDTYBIIATXSH-HOCLYGCPSA-N 1 0 407.481 0.717 20 0 HCADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427597 1080601988 /nfs/dbraw/zinc/60/19/88/1080601988.db2.gz QJMDTYBIIATXSH-ZBFHGGJFSA-N 1 0 407.481 0.717 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)NCC3(OC)CCOCC3)CCCC2)CC1 ZINC000672441717 1080605048 /nfs/dbraw/zinc/60/50/48/1080605048.db2.gz MYBFERRWKUADTJ-UHFFFAOYSA-N 1 0 411.543 0.838 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C)CO[C@H]3CCOC3)CCCC2)CC1 ZINC000672441754 1080604202 /nfs/dbraw/zinc/60/42/02/1080604202.db2.gz YXRLDPWOYOFKPH-AEFFLSMTSA-N 1 0 411.543 0.836 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C)CO[C@@H]3CCOC3)CCCC2)CC1 ZINC000672441755 1080604079 /nfs/dbraw/zinc/60/40/79/1080604079.db2.gz YXRLDPWOYOFKPH-FUHWJXTLSA-N 1 0 411.543 0.836 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C)CO[C@@H]3CCOC3)CCCC2)CC1 ZINC000672441756 1080603970 /nfs/dbraw/zinc/60/39/70/1080603970.db2.gz YXRLDPWOYOFKPH-SJLPKXTDSA-N 1 0 411.543 0.836 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C)CO[C@H]3CCOC3)CCCC2)CC1 ZINC000672441757 1080604174 /nfs/dbraw/zinc/60/41/74/1080604174.db2.gz YXRLDPWOYOFKPH-WMZOPIPTSA-N 1 0 411.543 0.836 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N3CCC(CO)(OC)CC3)CCCC2)CC1 ZINC000672441784 1080604132 /nfs/dbraw/zinc/60/41/32/1080604132.db2.gz LJHHMMKYEIIKQI-UHFFFAOYSA-N 1 0 411.543 0.526 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)CCCC2)CC1 ZINC000672441935 1080604182 /nfs/dbraw/zinc/60/41/82/1080604182.db2.gz RKMJUVSPNCTDMR-MOPGFXCFSA-N 1 0 423.554 0.933 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)CCCC2)CC1 ZINC000672441936 1080604146 /nfs/dbraw/zinc/60/41/46/1080604146.db2.gz RKMJUVSPNCTDMR-OALUTQOASA-N 1 0 423.554 0.933 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)CCCC2)CC1 ZINC000672441937 1080604058 /nfs/dbraw/zinc/60/40/58/1080604058.db2.gz RKMJUVSPNCTDMR-RBUKOAKNSA-N 1 0 423.554 0.933 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)CCCC2)CC1 ZINC000672441938 1080604212 /nfs/dbraw/zinc/60/42/12/1080604212.db2.gz RKMJUVSPNCTDMR-RTBURBONSA-N 1 0 423.554 0.933 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@H](C)O[C@]4(CCOC4)C3)CCCC2)CC1 ZINC000672442075 1080604092 /nfs/dbraw/zinc/60/40/92/1080604092.db2.gz YACOJPSQBKVNPT-HTAPYJJXSA-N 1 0 423.554 0.933 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@H](C)O[C@@]4(CCOC4)C3)CCCC2)CC1 ZINC000672442076 1080604070 /nfs/dbraw/zinc/60/40/70/1080604070.db2.gz YACOJPSQBKVNPT-JTSKRJEESA-N 1 0 423.554 0.933 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H](C)O[C@]4(CCOC4)C3)CCCC2)CC1 ZINC000672442077 1080604138 /nfs/dbraw/zinc/60/41/38/1080604138.db2.gz YACOJPSQBKVNPT-VGOFRKELSA-N 1 0 423.554 0.933 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H](C)O[C@@]4(CCOC4)C3)CCCC2)CC1 ZINC000672442078 1080604088 /nfs/dbraw/zinc/60/40/88/1080604088.db2.gz YACOJPSQBKVNPT-VGSWGCGISA-N 1 0 423.554 0.933 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C)[C@@H]3CN(C)CCO3)CCCC2)CC1 ZINC000672442172 1080604097 /nfs/dbraw/zinc/60/40/97/1080604097.db2.gz VOTFYWXLMJWHIJ-AEFFLSMTSA-N 1 0 410.559 0.362 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C)[C@H]3CN(C)CCO3)CCCC2)CC1 ZINC000672442173 1080603666 /nfs/dbraw/zinc/60/36/66/1080603666.db2.gz VOTFYWXLMJWHIJ-FUHWJXTLSA-N 1 0 410.559 0.362 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C)[C@H]3CN(C)CCO3)CCCC2)CC1 ZINC000672442174 1080603709 /nfs/dbraw/zinc/60/37/09/1080603709.db2.gz VOTFYWXLMJWHIJ-SJLPKXTDSA-N 1 0 410.559 0.362 20 0 HCADRO COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)CCCC2)CC1 ZINC000672442175 1080603604 /nfs/dbraw/zinc/60/36/04/1080603604.db2.gz VOTFYWXLMJWHIJ-WMZOPIPTSA-N 1 0 410.559 0.362 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000672442223 1080603984 /nfs/dbraw/zinc/60/39/84/1080603984.db2.gz JZJHWBMPOQACKI-GOSISDBHSA-N 1 0 410.559 0.315 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000672442224 1080604035 /nfs/dbraw/zinc/60/40/35/1080604035.db2.gz JZJHWBMPOQACKI-SFHVURJKSA-N 1 0 410.559 0.315 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(c3nccnc3C)CC2)CC1 ZINC000672442317 1080604156 /nfs/dbraw/zinc/60/41/56/1080604156.db2.gz NLYSGTGYIIUPKM-UHFFFAOYSA-N 1 0 418.542 0.439 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000672442390 1080604821 /nfs/dbraw/zinc/60/48/21/1080604821.db2.gz NWUWXYBIMGXVLL-INIZCTEOSA-N 1 0 403.527 0.782 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000672442391 1080605009 /nfs/dbraw/zinc/60/50/09/1080605009.db2.gz NWUWXYBIMGXVLL-MRXNPFEDSA-N 1 0 403.527 0.782 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000672442509 1080605001 /nfs/dbraw/zinc/60/50/01/1080605001.db2.gz PRQAKOJFABMZOJ-UHFFFAOYSA-N 1 0 420.510 0.570 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000672442600 1080604991 /nfs/dbraw/zinc/60/49/91/1080604991.db2.gz DRGMJXQPJITIPL-KRWDZBQOSA-N 1 0 422.570 0.899 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000672442601 1080605581 /nfs/dbraw/zinc/60/55/81/1080605581.db2.gz DRGMJXQPJITIPL-QGZVFWFLSA-N 1 0 422.570 0.899 20 0 HCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000672442653 1080604924 /nfs/dbraw/zinc/60/49/24/1080604924.db2.gz VASMGFFHMWNJLB-UHFFFAOYSA-N 1 0 416.522 0.867 20 0 HCADRO CCc1nc(CN2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)C2)no1 ZINC000672447934 1080607037 /nfs/dbraw/zinc/60/70/37/1080607037.db2.gz VQHLECSJJQRQHA-HRCADAONSA-N 1 0 404.515 0.265 20 0 HCADRO CCc1nc(CN2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)C2)no1 ZINC000672447935 1080606942 /nfs/dbraw/zinc/60/69/42/1080606942.db2.gz VQHLECSJJQRQHA-JYJNAYRXSA-N 1 0 404.515 0.265 20 0 HCADRO CCc1nc(CN2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)C2)no1 ZINC000672447936 1080607014 /nfs/dbraw/zinc/60/70/14/1080607014.db2.gz VQHLECSJJQRQHA-OWCLPIDISA-N 1 0 404.515 0.265 20 0 HCADRO CCc1nc(CN2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)C2)no1 ZINC000672447937 1080607088 /nfs/dbraw/zinc/60/70/88/1080607088.db2.gz VQHLECSJJQRQHA-PMPSAXMXSA-N 1 0 404.515 0.265 20 0 HCADRO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)cc1 ZINC000672453221 1080619544 /nfs/dbraw/zinc/61/95/44/1080619544.db2.gz VVJJQQGUSQWYDB-VQTJNVASSA-N 1 0 419.522 0.692 20 0 HCADRO C[C@@H](CNC(=O)NCCCN1C(=O)c2ccccc2C1=O)C[NH+]1CCN(C)CC1 ZINC000672454046 1080619516 /nfs/dbraw/zinc/61/95/16/1080619516.db2.gz WUQUETYETVNXSR-INIZCTEOSA-N 1 0 401.511 0.855 20 0 HCADRO C[C@H](CNC(=O)NCCCN1C(=O)c2ccccc2C1=O)C[NH+]1CCN(C)CC1 ZINC000672454047 1080619216 /nfs/dbraw/zinc/61/92/16/1080619216.db2.gz WUQUETYETVNXSR-MRXNPFEDSA-N 1 0 401.511 0.855 20 0 HCADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455100 1080621443 /nfs/dbraw/zinc/62/14/43/1080621443.db2.gz FYFQCDJHMYAYKE-BBWFWOEESA-N 1 0 413.522 0.566 20 0 HCADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455101 1080621468 /nfs/dbraw/zinc/62/14/68/1080621468.db2.gz FYFQCDJHMYAYKE-ZACQAIPSSA-N 1 0 413.522 0.566 20 0 HCADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672455267 1080620110 /nfs/dbraw/zinc/62/01/10/1080620110.db2.gz UKVYWGMEWDTKDJ-CVEARBPZSA-N 1 0 401.511 0.423 20 0 HCADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672455268 1080620051 /nfs/dbraw/zinc/62/00/51/1080620051.db2.gz UKVYWGMEWDTKDJ-HOTGVXAUSA-N 1 0 401.511 0.423 20 0 HCADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672455269 1080620777 /nfs/dbraw/zinc/62/07/77/1080620777.db2.gz UKVYWGMEWDTKDJ-HZPDHXFCSA-N 1 0 401.511 0.423 20 0 HCADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672455270 1080620749 /nfs/dbraw/zinc/62/07/49/1080620749.db2.gz UKVYWGMEWDTKDJ-JKSUJKDBSA-N 1 0 401.511 0.423 20 0 HCADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455340 1080619386 /nfs/dbraw/zinc/61/93/86/1080619386.db2.gz BFEVPBQGOLUAEN-DLBZAZTESA-N 1 0 415.538 0.861 20 0 HCADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455345 1080619460 /nfs/dbraw/zinc/61/94/60/1080619460.db2.gz BFEVPBQGOLUAEN-IAGOWNOFSA-N 1 0 415.538 0.861 20 0 HCADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455346 1080619612 /nfs/dbraw/zinc/61/96/12/1080619612.db2.gz BFEVPBQGOLUAEN-IRXDYDNUSA-N 1 0 415.538 0.861 20 0 HCADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455350 1080620023 /nfs/dbraw/zinc/62/00/23/1080620023.db2.gz BFEVPBQGOLUAEN-SJORKVTESA-N 1 0 415.538 0.861 20 0 HCADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672455376 1080620040 /nfs/dbraw/zinc/62/00/40/1080620040.db2.gz ZTUQQXKUKJDGRN-DLBZAZTESA-N 1 0 415.538 0.575 20 0 HCADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672455378 1080620057 /nfs/dbraw/zinc/62/00/57/1080620057.db2.gz ZTUQQXKUKJDGRN-IAGOWNOFSA-N 1 0 415.538 0.575 20 0 HCADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672455380 1080620073 /nfs/dbraw/zinc/62/00/73/1080620073.db2.gz ZTUQQXKUKJDGRN-IRXDYDNUSA-N 1 0 415.538 0.575 20 0 HCADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672455383 1080621436 /nfs/dbraw/zinc/62/14/36/1080621436.db2.gz ZTUQQXKUKJDGRN-SJORKVTESA-N 1 0 415.538 0.575 20 0 HCADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672455520 1080624672 /nfs/dbraw/zinc/62/46/72/1080624672.db2.gz HDXLLORHKNXDES-INIZCTEOSA-N 1 0 413.522 0.567 20 0 HCADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672455521 1080624699 /nfs/dbraw/zinc/62/46/99/1080624699.db2.gz HDXLLORHKNXDES-MRXNPFEDSA-N 1 0 413.522 0.567 20 0 HCADRO C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672455544 1080624678 /nfs/dbraw/zinc/62/46/78/1080624678.db2.gz IDEZADDLYVFYKC-KRWDZBQOSA-N 1 0 415.538 0.671 20 0 HCADRO C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672455545 1080624696 /nfs/dbraw/zinc/62/46/96/1080624696.db2.gz IDEZADDLYVFYKC-QGZVFWFLSA-N 1 0 415.538 0.671 20 0 HCADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455584 1080624739 /nfs/dbraw/zinc/62/47/39/1080624739.db2.gz JBDZCDUHNRGKBH-INIZCTEOSA-N 1 0 403.527 0.671 20 0 HCADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455585 1080624691 /nfs/dbraw/zinc/62/46/91/1080624691.db2.gz JBDZCDUHNRGKBH-MRXNPFEDSA-N 1 0 403.527 0.671 20 0 HCADRO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672455654 1080624047 /nfs/dbraw/zinc/62/40/47/1080624047.db2.gz LZWKGXXEXDMZIG-KRWDZBQOSA-N 1 0 415.538 0.719 20 0 HCADRO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672455655 1080624128 /nfs/dbraw/zinc/62/41/28/1080624128.db2.gz LZWKGXXEXDMZIG-QGZVFWFLSA-N 1 0 415.538 0.719 20 0 HCADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456024 1080623436 /nfs/dbraw/zinc/62/34/36/1080623436.db2.gz URZUFQJGQNCBHF-CVEARBPZSA-N 1 0 401.511 0.329 20 0 HCADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456028 1080623553 /nfs/dbraw/zinc/62/35/53/1080623553.db2.gz URZUFQJGQNCBHF-HOTGVXAUSA-N 1 0 401.511 0.329 20 0 HCADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456030 1080623412 /nfs/dbraw/zinc/62/34/12/1080623412.db2.gz URZUFQJGQNCBHF-HZPDHXFCSA-N 1 0 401.511 0.329 20 0 HCADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456031 1080623540 /nfs/dbraw/zinc/62/35/40/1080623540.db2.gz URZUFQJGQNCBHF-JKSUJKDBSA-N 1 0 401.511 0.329 20 0 HCADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456032 1080623467 /nfs/dbraw/zinc/62/34/67/1080623467.db2.gz UWBHJMABHMQAHZ-BBWFWOEESA-N 1 0 415.538 0.860 20 0 HCADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456044 1080622137 /nfs/dbraw/zinc/62/21/37/1080622137.db2.gz UWBHJMABHMQAHZ-BRWVUGGUSA-N 1 0 415.538 0.860 20 0 HCADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456045 1080621943 /nfs/dbraw/zinc/62/19/43/1080621943.db2.gz UWBHJMABHMQAHZ-IXDOHACOSA-N 1 0 415.538 0.860 20 0 HCADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456047 1080622176 /nfs/dbraw/zinc/62/21/76/1080622176.db2.gz IFSNMRAQBNQKQU-CVEARBPZSA-N 1 0 401.511 0.281 20 0 HCADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456048 1080621973 /nfs/dbraw/zinc/62/19/73/1080621973.db2.gz UWBHJMABHMQAHZ-ZACQAIPSSA-N 1 0 415.538 0.860 20 0 HCADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456050 1080622097 /nfs/dbraw/zinc/62/20/97/1080622097.db2.gz IFSNMRAQBNQKQU-HOTGVXAUSA-N 1 0 401.511 0.281 20 0 HCADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456052 1080622074 /nfs/dbraw/zinc/62/20/74/1080622074.db2.gz IFSNMRAQBNQKQU-HZPDHXFCSA-N 1 0 401.511 0.281 20 0 HCADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456054 1080622189 /nfs/dbraw/zinc/62/21/89/1080622189.db2.gz IFSNMRAQBNQKQU-JKSUJKDBSA-N 1 0 401.511 0.281 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456377 1080622039 /nfs/dbraw/zinc/62/20/39/1080622039.db2.gz PYGMUSWJCKNQQX-JFIYKMOQSA-N 1 0 413.522 0.423 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456378 1080622117 /nfs/dbraw/zinc/62/21/17/1080622117.db2.gz PYGMUSWJCKNQQX-LZLYRXPVSA-N 1 0 413.522 0.423 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456379 1080621993 /nfs/dbraw/zinc/62/19/93/1080621993.db2.gz PYGMUSWJCKNQQX-SOLBZPMBSA-N 1 0 413.522 0.423 20 0 HCADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456380 1080622012 /nfs/dbraw/zinc/62/20/12/1080622012.db2.gz PYGMUSWJCKNQQX-XYJFISCASA-N 1 0 413.522 0.423 20 0 HCADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456684 1080626674 /nfs/dbraw/zinc/62/66/74/1080626674.db2.gz BSCSAQJFIXEHFL-INIZCTEOSA-N 1 0 403.527 0.527 20 0 HCADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456685 1080626542 /nfs/dbraw/zinc/62/65/42/1080626542.db2.gz BSCSAQJFIXEHFL-MRXNPFEDSA-N 1 0 403.527 0.527 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCCCC1 ZINC000672456891 1080626685 /nfs/dbraw/zinc/62/66/85/1080626685.db2.gz LEWAKXOVVSZTIY-DLBZAZTESA-N 1 0 415.538 0.719 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCCCC1 ZINC000672456893 1080626608 /nfs/dbraw/zinc/62/66/08/1080626608.db2.gz LEWAKXOVVSZTIY-IAGOWNOFSA-N 1 0 415.538 0.719 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCCCC1 ZINC000672456895 1080626661 /nfs/dbraw/zinc/62/66/61/1080626661.db2.gz LEWAKXOVVSZTIY-IRXDYDNUSA-N 1 0 415.538 0.719 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCCCC1 ZINC000672456897 1080626625 /nfs/dbraw/zinc/62/66/25/1080626625.db2.gz LEWAKXOVVSZTIY-SJORKVTESA-N 1 0 415.538 0.719 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000672457109 1080625296 /nfs/dbraw/zinc/62/52/96/1080625296.db2.gz FPMIOYFJPOHYEO-DLBZAZTESA-N 1 0 413.522 0.425 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000672457110 1080625286 /nfs/dbraw/zinc/62/52/86/1080625286.db2.gz FPMIOYFJPOHYEO-IAGOWNOFSA-N 1 0 413.522 0.425 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000672457111 1080625453 /nfs/dbraw/zinc/62/54/53/1080625453.db2.gz FPMIOYFJPOHYEO-IRXDYDNUSA-N 1 0 413.522 0.425 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000672457112 1080625498 /nfs/dbraw/zinc/62/54/98/1080625498.db2.gz FPMIOYFJPOHYEO-SJORKVTESA-N 1 0 413.522 0.425 20 0 HCADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672457119 1080625352 /nfs/dbraw/zinc/62/53/52/1080625352.db2.gz FSPTXIFNTGZGQV-DLBZAZTESA-N 1 0 415.538 0.671 20 0 HCADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672457120 1080625508 /nfs/dbraw/zinc/62/55/08/1080625508.db2.gz FSPTXIFNTGZGQV-IAGOWNOFSA-N 1 0 415.538 0.671 20 0 HCADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672457121 1080625395 /nfs/dbraw/zinc/62/53/95/1080625395.db2.gz FSPTXIFNTGZGQV-IRXDYDNUSA-N 1 0 415.538 0.671 20 0 HCADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672457123 1080625469 /nfs/dbraw/zinc/62/54/69/1080625469.db2.gz FSPTXIFNTGZGQV-SJORKVTESA-N 1 0 415.538 0.671 20 0 HCADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672457446 1080627298 /nfs/dbraw/zinc/62/72/98/1080627298.db2.gz YFNUFMSZUWGLEN-INIZCTEOSA-N 1 0 415.538 0.813 20 0 HCADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672457447 1080627212 /nfs/dbraw/zinc/62/72/12/1080627212.db2.gz YFNUFMSZUWGLEN-MRXNPFEDSA-N 1 0 415.538 0.813 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672457522 1080629451 /nfs/dbraw/zinc/62/94/51/1080629451.db2.gz MNYTVOZJTYEYMH-INIZCTEOSA-N 1 0 422.489 0.224 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672457523 1080629417 /nfs/dbraw/zinc/62/94/17/1080629417.db2.gz MNYTVOZJTYEYMH-MRXNPFEDSA-N 1 0 422.489 0.224 20 0 HCADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672457626 1080629490 /nfs/dbraw/zinc/62/94/90/1080629490.db2.gz PTCNOVUKIMVUSN-INIZCTEOSA-N 1 0 401.511 0.281 20 0 HCADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672457627 1080629349 /nfs/dbraw/zinc/62/93/49/1080629349.db2.gz PTCNOVUKIMVUSN-MRXNPFEDSA-N 1 0 401.511 0.281 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000672457912 1080628610 /nfs/dbraw/zinc/62/86/10/1080628610.db2.gz WKUBWTHXOWPHLF-GTPINHCMSA-N 1 0 413.522 0.614 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000672457913 1080628772 /nfs/dbraw/zinc/62/87/72/1080628772.db2.gz WKUBWTHXOWPHLF-KLAILNCOSA-N 1 0 413.522 0.614 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000672457934 1080628639 /nfs/dbraw/zinc/62/86/39/1080628639.db2.gz WYMLOXMMIVOKLX-DLBZAZTESA-N 1 0 413.522 0.567 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000672457935 1080628740 /nfs/dbraw/zinc/62/87/40/1080628740.db2.gz WYMLOXMMIVOKLX-IAGOWNOFSA-N 1 0 413.522 0.567 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000672457936 1080628663 /nfs/dbraw/zinc/62/86/63/1080628663.db2.gz WYMLOXMMIVOKLX-IRXDYDNUSA-N 1 0 413.522 0.567 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000672457937 1080628581 /nfs/dbraw/zinc/62/85/81/1080628581.db2.gz WYMLOXMMIVOKLX-SJORKVTESA-N 1 0 413.522 0.567 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000672457978 1080627893 /nfs/dbraw/zinc/62/78/93/1080627893.db2.gz YNFSYSQTUJYGDH-INIZCTEOSA-N 1 0 413.522 0.471 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000672457979 1080628008 /nfs/dbraw/zinc/62/80/08/1080628008.db2.gz YNFSYSQTUJYGDH-MRXNPFEDSA-N 1 0 413.522 0.471 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672458213 1080630144 /nfs/dbraw/zinc/63/01/44/1080630144.db2.gz MOTIQXHUCSZTBJ-CVEARBPZSA-N 1 0 401.511 0.471 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672458214 1080630162 /nfs/dbraw/zinc/63/01/62/1080630162.db2.gz MOTIQXHUCSZTBJ-HOTGVXAUSA-N 1 0 401.511 0.471 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672458215 1080630039 /nfs/dbraw/zinc/63/00/39/1080630039.db2.gz MOTIQXHUCSZTBJ-HZPDHXFCSA-N 1 0 401.511 0.471 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672458216 1080630114 /nfs/dbraw/zinc/63/01/14/1080630114.db2.gz MOTIQXHUCSZTBJ-JKSUJKDBSA-N 1 0 401.511 0.471 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)[C@@H](C)C1 ZINC000672458543 1080611402 /nfs/dbraw/zinc/61/14/02/1080611402.db2.gz YHNBMCNWUSDHMQ-BQFCYCMXSA-N 1 0 415.538 0.669 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)[C@@H](C)C1 ZINC000672458544 1080611358 /nfs/dbraw/zinc/61/13/58/1080611358.db2.gz YHNBMCNWUSDHMQ-JZXOWHBKSA-N 1 0 415.538 0.669 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)[C@H](C)C1 ZINC000672458545 1080611535 /nfs/dbraw/zinc/61/15/35/1080611535.db2.gz YHNBMCNWUSDHMQ-NUJGCVRESA-N 1 0 415.538 0.669 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)[C@H](C)C1 ZINC000672458546 1080611456 /nfs/dbraw/zinc/61/14/56/1080611456.db2.gz YHNBMCNWUSDHMQ-RYRKJORJSA-N 1 0 415.538 0.669 20 0 HCADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672458875 1080611432 /nfs/dbraw/zinc/61/14/32/1080611432.db2.gz JQDKARLKKITWHR-INIZCTEOSA-N 1 0 401.511 0.423 20 0 HCADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672458876 1080611501 /nfs/dbraw/zinc/61/15/01/1080611501.db2.gz JQDKARLKKITWHR-MRXNPFEDSA-N 1 0 401.511 0.423 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672459021 1080610772 /nfs/dbraw/zinc/61/07/72/1080610772.db2.gz OVLQMUJIUPACQU-BRWVUGGUSA-N 1 0 415.538 0.717 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672459022 1080610823 /nfs/dbraw/zinc/61/08/23/1080610823.db2.gz OVLQMUJIUPACQU-IKGGRYGDSA-N 1 0 415.538 0.717 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672459023 1080610716 /nfs/dbraw/zinc/61/07/16/1080610716.db2.gz OVLQMUJIUPACQU-IXDOHACOSA-N 1 0 415.538 0.717 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672459024 1080610695 /nfs/dbraw/zinc/61/06/95/1080610695.db2.gz OVLQMUJIUPACQU-ZACQAIPSSA-N 1 0 415.538 0.717 20 0 HCADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459142 1080609050 /nfs/dbraw/zinc/60/90/50/1080609050.db2.gz BMDDFURMFMXFKP-CRAIPNDOSA-N 1 0 415.538 0.717 20 0 HCADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459143 1080609233 /nfs/dbraw/zinc/60/92/33/1080609233.db2.gz BMDDFURMFMXFKP-MAUKXSAKSA-N 1 0 415.538 0.717 20 0 HCADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459144 1080609184 /nfs/dbraw/zinc/60/91/84/1080609184.db2.gz BMDDFURMFMXFKP-QAPCUYQASA-N 1 0 415.538 0.717 20 0 HCADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459145 1080609092 /nfs/dbraw/zinc/60/90/92/1080609092.db2.gz BMDDFURMFMXFKP-YJBOKZPZSA-N 1 0 415.538 0.717 20 0 HCADRO C[C@@H](CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)[NH+]1CCCCC1 ZINC000672459172 1080609916 /nfs/dbraw/zinc/60/99/16/1080609916.db2.gz CKBBPKOBNWJDJH-DLBZAZTESA-N 1 0 415.538 0.861 20 0 HCADRO C[C@H](CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)[NH+]1CCCCC1 ZINC000672459173 1080609811 /nfs/dbraw/zinc/60/98/11/1080609811.db2.gz CKBBPKOBNWJDJH-IAGOWNOFSA-N 1 0 415.538 0.861 20 0 HCADRO C[C@@H](CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)[NH+]1CCCCC1 ZINC000672459174 1080609840 /nfs/dbraw/zinc/60/98/40/1080609840.db2.gz CKBBPKOBNWJDJH-IRXDYDNUSA-N 1 0 415.538 0.861 20 0 HCADRO C[C@H](CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)[NH+]1CCCCC1 ZINC000672459175 1080609894 /nfs/dbraw/zinc/60/98/94/1080609894.db2.gz CKBBPKOBNWJDJH-SJORKVTESA-N 1 0 415.538 0.861 20 0 HCADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCCC1 ZINC000672459208 1080609968 /nfs/dbraw/zinc/60/99/68/1080609968.db2.gz RXMLHNNBCCJMRL-INIZCTEOSA-N 1 0 415.538 0.719 20 0 HCADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C[NH+]1CCCC1 ZINC000672459209 1080609876 /nfs/dbraw/zinc/60/98/76/1080609876.db2.gz RXMLHNNBCCJMRL-MRXNPFEDSA-N 1 0 415.538 0.719 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000672459232 1080609846 /nfs/dbraw/zinc/60/98/46/1080609846.db2.gz UWSGBWUKFHXDPK-INIZCTEOSA-N 1 0 413.522 0.567 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000672459233 1080609903 /nfs/dbraw/zinc/60/99/03/1080609903.db2.gz UWSGBWUKFHXDPK-MRXNPFEDSA-N 1 0 413.522 0.567 20 0 HCADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459420 1080616401 /nfs/dbraw/zinc/61/64/01/1080616401.db2.gz YABWCYWDBQQQLO-BFYDXBDKSA-N 1 0 401.511 0.279 20 0 HCADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459421 1080616492 /nfs/dbraw/zinc/61/64/92/1080616492.db2.gz YABWCYWDBQQQLO-HLLBOEOZSA-N 1 0 401.511 0.279 20 0 HCADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459422 1080616581 /nfs/dbraw/zinc/61/65/81/1080616581.db2.gz YABWCYWDBQQQLO-INMHGKMJSA-N 1 0 401.511 0.279 20 0 HCADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459423 1080616472 /nfs/dbraw/zinc/61/64/72/1080616472.db2.gz YABWCYWDBQQQLO-VYDXJSESSA-N 1 0 401.511 0.279 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672459511 1080617135 /nfs/dbraw/zinc/61/71/35/1080617135.db2.gz LBFDTYXRLGYMJN-CVEARBPZSA-N 1 0 401.511 0.469 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672459512 1080617122 /nfs/dbraw/zinc/61/71/22/1080617122.db2.gz LBFDTYXRLGYMJN-HOTGVXAUSA-N 1 0 401.511 0.469 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672459513 1080617159 /nfs/dbraw/zinc/61/71/59/1080617159.db2.gz LBFDTYXRLGYMJN-HZPDHXFCSA-N 1 0 401.511 0.469 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672459514 1080617172 /nfs/dbraw/zinc/61/71/72/1080617172.db2.gz LBFDTYXRLGYMJN-JKSUJKDBSA-N 1 0 401.511 0.469 20 0 HCADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@@H+]1C ZINC000672459547 1080615092 /nfs/dbraw/zinc/61/50/92/1080615092.db2.gz MXCPUUKKIOEWSU-BZUAXINKSA-N 1 0 401.511 0.422 20 0 HCADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@@H+]1C ZINC000672459548 1080615174 /nfs/dbraw/zinc/61/51/74/1080615174.db2.gz MXCPUUKKIOEWSU-OAGGEKHMSA-N 1 0 401.511 0.422 20 0 HCADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@@H+]1C ZINC000672459549 1080615017 /nfs/dbraw/zinc/61/50/17/1080615017.db2.gz MXCPUUKKIOEWSU-OWCLPIDISA-N 1 0 401.511 0.422 20 0 HCADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@@H+]1C ZINC000672459550 1080615066 /nfs/dbraw/zinc/61/50/66/1080615066.db2.gz MXCPUUKKIOEWSU-PMPSAXMXSA-N 1 0 401.511 0.422 20 0 HCADRO C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CCCC1 ZINC000672459629 1080615548 /nfs/dbraw/zinc/61/55/48/1080615548.db2.gz PLTLMQJQVYCYPF-INIZCTEOSA-N 1 0 415.538 0.719 20 0 HCADRO C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CCCC1 ZINC000672459630 1080615519 /nfs/dbraw/zinc/61/55/19/1080615519.db2.gz PLTLMQJQVYCYPF-MRXNPFEDSA-N 1 0 415.538 0.719 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000672459649 1080615572 /nfs/dbraw/zinc/61/55/72/1080615572.db2.gz QOSUNTMWYUIHQF-DLBZAZTESA-N 1 0 413.522 0.567 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000672459650 1080615566 /nfs/dbraw/zinc/61/55/66/1080615566.db2.gz QOSUNTMWYUIHQF-IAGOWNOFSA-N 1 0 413.522 0.567 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000672459651 1080615671 /nfs/dbraw/zinc/61/56/71/1080615671.db2.gz QOSUNTMWYUIHQF-IRXDYDNUSA-N 1 0 413.522 0.567 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000672459652 1080615632 /nfs/dbraw/zinc/61/56/32/1080615632.db2.gz QOSUNTMWYUIHQF-SJORKVTESA-N 1 0 413.522 0.567 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C[C@@H]1C ZINC000672459673 1080615616 /nfs/dbraw/zinc/61/56/16/1080615616.db2.gz RMOZNOCKDUSXKJ-BBWFWOEESA-N 1 0 415.538 0.812 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C[C@H]1C ZINC000672459674 1080615608 /nfs/dbraw/zinc/61/56/08/1080615608.db2.gz RMOZNOCKDUSXKJ-IKGGRYGDSA-N 1 0 415.538 0.812 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C[C@@H]1C ZINC000672459675 1080615532 /nfs/dbraw/zinc/61/55/32/1080615532.db2.gz RMOZNOCKDUSXKJ-ULQDDVLXSA-N 1 0 415.538 0.812 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C[C@H]1C ZINC000672459676 1080615583 /nfs/dbraw/zinc/61/55/83/1080615583.db2.gz RMOZNOCKDUSXKJ-ZACQAIPSSA-N 1 0 415.538 0.812 20 0 HCADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459693 1080614140 /nfs/dbraw/zinc/61/41/40/1080614140.db2.gz AMXKUDUALMKFHO-DLBZAZTESA-N 1 0 415.538 0.813 20 0 HCADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459696 1080614281 /nfs/dbraw/zinc/61/42/81/1080614281.db2.gz AMXKUDUALMKFHO-IAGOWNOFSA-N 1 0 415.538 0.813 20 0 HCADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459697 1080614229 /nfs/dbraw/zinc/61/42/29/1080614229.db2.gz AMXKUDUALMKFHO-IRXDYDNUSA-N 1 0 415.538 0.813 20 0 HCADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459700 1080614163 /nfs/dbraw/zinc/61/41/63/1080614163.db2.gz AMXKUDUALMKFHO-SJORKVTESA-N 1 0 415.538 0.813 20 0 HCADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459714 1080614113 /nfs/dbraw/zinc/61/41/13/1080614113.db2.gz BBBUYNNAXCRLMX-DOTOQJQBSA-N 1 0 415.538 0.669 20 0 HCADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459716 1080614339 /nfs/dbraw/zinc/61/43/39/1080614339.db2.gz BBBUYNNAXCRLMX-NVXWUHKLSA-N 1 0 415.538 0.669 20 0 HCADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459717 1080614196 /nfs/dbraw/zinc/61/41/96/1080614196.db2.gz BBBUYNNAXCRLMX-RDJZCZTQSA-N 1 0 415.538 0.669 20 0 HCADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459718 1080614246 /nfs/dbraw/zinc/61/42/46/1080614246.db2.gz BBBUYNNAXCRLMX-WBVHZDCISA-N 1 0 415.538 0.669 20 0 HCADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C(C)(C)C ZINC000672459734 1080615117 /nfs/dbraw/zinc/61/51/17/1080615117.db2.gz BVQXSTWLNPPRCH-CRAIPNDOSA-N 1 0 417.554 0.963 20 0 HCADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000672459739 1080615129 /nfs/dbraw/zinc/61/51/29/1080615129.db2.gz UOQAJYGFDVDHHY-BFHYXJOUSA-N 1 0 411.576 0.999 20 0 HCADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C(C)(C)C ZINC000672459740 1080615003 /nfs/dbraw/zinc/61/50/03/1080615003.db2.gz BVQXSTWLNPPRCH-MAUKXSAKSA-N 1 0 417.554 0.963 20 0 HCADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C(C)(C)C ZINC000672459741 1080615206 /nfs/dbraw/zinc/61/52/06/1080615206.db2.gz BVQXSTWLNPPRCH-QAPCUYQASA-N 1 0 417.554 0.963 20 0 HCADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C(C)(C)C ZINC000672459742 1080615238 /nfs/dbraw/zinc/61/52/38/1080615238.db2.gz BVQXSTWLNPPRCH-YJBOKZPZSA-N 1 0 417.554 0.963 20 0 HCADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000672459746 1080615186 /nfs/dbraw/zinc/61/51/86/1080615186.db2.gz UOQAJYGFDVDHHY-MCIONIFRSA-N 1 0 411.576 0.999 20 0 HCADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000672459747 1080615038 /nfs/dbraw/zinc/61/50/38/1080615038.db2.gz UOQAJYGFDVDHHY-MGPQQGTHSA-N 1 0 411.576 0.999 20 0 HCADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000672459748 1080615244 /nfs/dbraw/zinc/61/52/44/1080615244.db2.gz UOQAJYGFDVDHHY-MJBXVCDLSA-N 1 0 411.576 0.999 20 0 HCADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672459755 1080615165 /nfs/dbraw/zinc/61/51/65/1080615165.db2.gz CNSPWMBAPFLLSA-INIZCTEOSA-N 1 0 401.511 0.469 20 0 HCADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672459757 1080615145 /nfs/dbraw/zinc/61/51/45/1080615145.db2.gz CNSPWMBAPFLLSA-MRXNPFEDSA-N 1 0 401.511 0.469 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000672459800 1080614987 /nfs/dbraw/zinc/61/49/87/1080614987.db2.gz VJQKLPJJJUHAOS-DLBZAZTESA-N 1 0 413.522 0.567 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000672459801 1080615212 /nfs/dbraw/zinc/61/52/12/1080615212.db2.gz VJQKLPJJJUHAOS-IAGOWNOFSA-N 1 0 413.522 0.567 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000672459802 1080615265 /nfs/dbraw/zinc/61/52/65/1080615265.db2.gz VJQKLPJJJUHAOS-IRXDYDNUSA-N 1 0 413.522 0.567 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000672459804 1080615158 /nfs/dbraw/zinc/61/51/58/1080615158.db2.gz VJQKLPJJJUHAOS-SJORKVTESA-N 1 0 413.522 0.567 20 0 HCADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672460044 1080613611 /nfs/dbraw/zinc/61/36/11/1080613611.db2.gz PAVHTYHHVYCUKO-INIZCTEOSA-N 1 0 415.538 0.813 20 0 HCADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672460045 1080613763 /nfs/dbraw/zinc/61/37/63/1080613763.db2.gz PAVHTYHHVYCUKO-MRXNPFEDSA-N 1 0 415.538 0.813 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672460109 1080613842 /nfs/dbraw/zinc/61/38/42/1080613842.db2.gz RUWPPMXYOVGYSP-CVEARBPZSA-N 1 0 401.511 0.281 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672460110 1080613867 /nfs/dbraw/zinc/61/38/67/1080613867.db2.gz RUWPPMXYOVGYSP-HOTGVXAUSA-N 1 0 401.511 0.281 20 0 HCADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672460111 1080613642 /nfs/dbraw/zinc/61/36/42/1080613642.db2.gz RUWPPMXYOVGYSP-HZPDHXFCSA-N 1 0 401.511 0.281 20 0 HCADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672460112 1080613530 /nfs/dbraw/zinc/61/35/30/1080613530.db2.gz RUWPPMXYOVGYSP-JKSUJKDBSA-N 1 0 401.511 0.281 20 0 HCADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C(C)(C)C[NH+](C)C ZINC000672460278 1080612068 /nfs/dbraw/zinc/61/20/68/1080612068.db2.gz CPVUTZLZJQDCIA-CABCVRRESA-N 1 0 403.527 0.573 20 0 HCADRO C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C(C)(C)C[NH+](C)C ZINC000672460279 1080612224 /nfs/dbraw/zinc/61/22/24/1080612224.db2.gz CPVUTZLZJQDCIA-GJZGRUSLSA-N 1 0 403.527 0.573 20 0 HCADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C(C)(C)C[NH+](C)C ZINC000672460280 1080612233 /nfs/dbraw/zinc/61/22/33/1080612233.db2.gz CPVUTZLZJQDCIA-HUUCEWRRSA-N 1 0 403.527 0.573 20 0 HCADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C(C)(C)C[NH+](C)C ZINC000672460281 1080612783 /nfs/dbraw/zinc/61/27/83/1080612783.db2.gz CPVUTZLZJQDCIA-LSDHHAIUSA-N 1 0 403.527 0.573 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000672460288 1080612821 /nfs/dbraw/zinc/61/28/21/1080612821.db2.gz DPTWIUOGWYKBGA-DOTOQJQBSA-N 1 0 413.522 0.614 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000672460289 1080612766 /nfs/dbraw/zinc/61/27/66/1080612766.db2.gz DPTWIUOGWYKBGA-NVXWUHKLSA-N 1 0 413.522 0.614 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000672460290 1080612748 /nfs/dbraw/zinc/61/27/48/1080612748.db2.gz DPTWIUOGWYKBGA-RDJZCZTQSA-N 1 0 413.522 0.614 20 0 HCADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000672460291 1080612846 /nfs/dbraw/zinc/61/28/46/1080612846.db2.gz DPTWIUOGWYKBGA-WBVHZDCISA-N 1 0 413.522 0.614 20 0 HCADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672460324 1080612837 /nfs/dbraw/zinc/61/28/37/1080612837.db2.gz IGMIKYWWCSZRCS-KRWDZBQOSA-N 1 0 415.538 0.815 20 0 HCADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672460325 1080612778 /nfs/dbraw/zinc/61/27/78/1080612778.db2.gz IGMIKYWWCSZRCS-QGZVFWFLSA-N 1 0 415.538 0.815 20 0 HCADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC[C@H]21 ZINC000672460326 1080612724 /nfs/dbraw/zinc/61/27/24/1080612724.db2.gz IGZJLTRSFBMAPA-JFIYKMOQSA-N 1 0 413.522 0.423 20 0 HCADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC[C@@H]21 ZINC000672460327 1080612795 /nfs/dbraw/zinc/61/27/95/1080612795.db2.gz IGZJLTRSFBMAPA-NUJGCVRESA-N 1 0 413.522 0.423 20 0 HCADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC[C@@H]21 ZINC000672460328 1080612731 /nfs/dbraw/zinc/61/27/31/1080612731.db2.gz IGZJLTRSFBMAPA-RYRKJORJSA-N 1 0 413.522 0.423 20 0 HCADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC[C@H]21 ZINC000672460329 1080612867 /nfs/dbraw/zinc/61/28/67/1080612867.db2.gz IGZJLTRSFBMAPA-SOLBZPMBSA-N 1 0 413.522 0.423 20 0 HCADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672460430 1080618639 /nfs/dbraw/zinc/61/86/39/1080618639.db2.gz XFWFAUCPQWWQLX-INIZCTEOSA-N 1 0 401.511 0.425 20 0 HCADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672460431 1080618684 /nfs/dbraw/zinc/61/86/84/1080618684.db2.gz XFWFAUCPQWWQLX-MRXNPFEDSA-N 1 0 401.511 0.425 20 0 HCADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672460452 1080618668 /nfs/dbraw/zinc/61/86/68/1080618668.db2.gz ZJLJJFXHKIONDS-HNNXBMFYSA-N 1 0 401.511 0.423 20 0 HCADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672460453 1080618644 /nfs/dbraw/zinc/61/86/44/1080618644.db2.gz ZJLJJFXHKIONDS-OAHLLOKOSA-N 1 0 401.511 0.423 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000672460799 1080617686 /nfs/dbraw/zinc/61/76/86/1080617686.db2.gz SVCJECBFAJKWPN-MOPGFXCFSA-N 1 0 422.574 0.372 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000672460802 1080617605 /nfs/dbraw/zinc/61/76/05/1080617605.db2.gz SVCJECBFAJKWPN-OALUTQOASA-N 1 0 422.574 0.372 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000672460803 1080617919 /nfs/dbraw/zinc/61/79/19/1080617919.db2.gz SVCJECBFAJKWPN-RBUKOAKNSA-N 1 0 422.574 0.372 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000672460804 1080617877 /nfs/dbraw/zinc/61/78/77/1080617877.db2.gz SVCJECBFAJKWPN-RTBURBONSA-N 1 0 422.574 0.372 20 0 HCADRO COCCN1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000672463954 1080634232 /nfs/dbraw/zinc/63/42/32/1080634232.db2.gz PFHDWOMYJIQCKI-JOCHJYFZSA-N 1 0 402.539 0.948 20 0 HCADRO COCCN1CCN(C(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000672463955 1080634484 /nfs/dbraw/zinc/63/44/84/1080634484.db2.gz PFHDWOMYJIQCKI-QFIPXVFZSA-N 1 0 402.539 0.948 20 0 HCADRO C[C@@]1(CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000672464236 1080634516 /nfs/dbraw/zinc/63/45/16/1080634516.db2.gz CHHSSCWJPUGELW-FQEVSTJZSA-N 1 0 422.551 0.165 20 0 HCADRO C[C@]1(CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000672464237 1080634335 /nfs/dbraw/zinc/63/43/35/1080634335.db2.gz CHHSSCWJPUGELW-HXUWFJFHSA-N 1 0 422.551 0.165 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000672464642 1080634349 /nfs/dbraw/zinc/63/43/49/1080634349.db2.gz MTFHGAZXKHABGH-JLMWRMLUSA-N 1 0 402.539 0.993 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000672464643 1080635395 /nfs/dbraw/zinc/63/53/95/1080635395.db2.gz MTFHGAZXKHABGH-KPLVRAHFSA-N 1 0 402.539 0.993 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000672464644 1080635413 /nfs/dbraw/zinc/63/54/13/1080635413.db2.gz MTFHGAZXKHABGH-LQBOVUBWSA-N 1 0 402.539 0.993 20 0 HCADRO C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000672464645 1080635292 /nfs/dbraw/zinc/63/52/92/1080635292.db2.gz MTFHGAZXKHABGH-LRXVAGHRSA-N 1 0 402.539 0.993 20 0 HCADRO COc1cc(C(=O)N(C)CCN(CC[NH+]2CCCC2)C(=O)c2cc(OC)no2)on1 ZINC000672466874 1080630598 /nfs/dbraw/zinc/63/05/98/1080630598.db2.gz IMQJBIUGRLIIGF-UHFFFAOYSA-N 1 0 421.454 0.990 20 0 HCADRO CN(CCN(CC[NH+]1CCCC1)C(=O)Cc1cncnc1)C(=O)Cc1cncnc1 ZINC000672467010 1080630723 /nfs/dbraw/zinc/63/07/23/1080630723.db2.gz NMAPKIKDYVXOMS-UHFFFAOYSA-N 1 0 411.510 0.435 20 0 HCADRO C[C@H](C(=O)N(CCN(C)C(=O)[C@H](C)n1cncn1)CC[NH+]1CCCC1)n1cncn1 ZINC000672467139 1080630844 /nfs/dbraw/zinc/63/08/44/1080630844.db2.gz VDUMHSUKWZMKOO-DLBZAZTESA-N 1 0 417.518 0.075 20 0 HCADRO C[C@H](C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@@H](C)n1cncn1)n1cncn1 ZINC000672467140 1080630864 /nfs/dbraw/zinc/63/08/64/1080630864.db2.gz VDUMHSUKWZMKOO-IAGOWNOFSA-N 1 0 417.518 0.075 20 0 HCADRO C[C@@H](C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@H](C)n1cncn1)n1cncn1 ZINC000672467141 1080630746 /nfs/dbraw/zinc/63/07/46/1080630746.db2.gz VDUMHSUKWZMKOO-IRXDYDNUSA-N 1 0 417.518 0.075 20 0 HCADRO C[C@H](C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@H](C)n1cncn1)n1cncn1 ZINC000672467142 1080630674 /nfs/dbraw/zinc/63/06/74/1080630674.db2.gz VDUMHSUKWZMKOO-SJORKVTESA-N 1 0 417.518 0.075 20 0 HCADRO Cc1cnn(CC(=O)N(C)CCN(CC[NH+]2CCCC2)C(=O)Cn2cc(C)cn2)c1 ZINC000672467272 1080630786 /nfs/dbraw/zinc/63/07/86/1080630786.db2.gz YOBJLKODNHWBOJ-UHFFFAOYSA-N 1 0 415.542 0.779 20 0 HCADRO CN(CCN(CC[NH+]1CCCC1)C(=O)Cc1cnn(C)c1)C(=O)Cc1cnn(C)c1 ZINC000672467286 1080630885 /nfs/dbraw/zinc/63/08/85/1080630885.db2.gz ZARIEKYMOKJYFU-UHFFFAOYSA-N 1 0 415.542 0.322 20 0 HCADRO CN(CCN(CC[NH+]1CCCC1)C(=O)Cc1ccnn1C)C(=O)Cc1ccnn1C ZINC000672467305 1080630817 /nfs/dbraw/zinc/63/08/17/1080630817.db2.gz ZUJJXXKPPVMAEA-UHFFFAOYSA-N 1 0 415.542 0.322 20 0 HCADRO CN(CCN(CC[NH+]1CCCC1)C(=O)Cc1cncn1C)C(=O)Cc1cncn1C ZINC000672467358 1080630651 /nfs/dbraw/zinc/63/06/51/1080630651.db2.gz JBURUVBOCUGVKQ-UHFFFAOYSA-N 1 0 415.542 0.322 20 0 HCADRO Cc1cc(CC(=O)N(C)CCN(CC[NH+]2CCCC2)C(=O)Cc2cc(C)n[nH]2)[nH]n1 ZINC000672467361 1080630808 /nfs/dbraw/zinc/63/08/08/1080630808.db2.gz JSAPHPSNHZCOCO-UHFFFAOYSA-N 1 0 415.542 0.918 20 0 HCADRO CN(CCN(CC[NH+]1CCCC1)C(=O)Cc1ccn(C)n1)C(=O)Cc1ccn(C)n1 ZINC000672467519 1080632226 /nfs/dbraw/zinc/63/22/26/1080632226.db2.gz XIOSIWGECADIQK-UHFFFAOYSA-N 1 0 415.542 0.322 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000672467875 1080631520 /nfs/dbraw/zinc/63/15/20/1080631520.db2.gz ONJHIOLHHHBRFO-HNNXBMFYSA-N 1 0 410.902 0.598 20 0 HCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000672467886 1080631488 /nfs/dbraw/zinc/63/14/88/1080631488.db2.gz ONJHIOLHHHBRFO-OAHLLOKOSA-N 1 0 410.902 0.598 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)ccn1 ZINC000672474071 1080633718 /nfs/dbraw/zinc/63/37/18/1080633718.db2.gz OPSJUFDPCYVYDH-UHFFFAOYSA-N 1 0 404.471 0.342 20 0 HCADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000672491588 1080639073 /nfs/dbraw/zinc/63/90/73/1080639073.db2.gz QKYMISSTKQDGQU-UHFFFAOYSA-N 1 0 413.544 0.505 20 0 HCADRO COC[C@@H]1CN(C(=O)C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000672500708 1080650788 /nfs/dbraw/zinc/65/07/88/1080650788.db2.gz VZORTFPDICFZIW-KRWDZBQOSA-N 1 0 411.543 0.790 20 0 HCADRO COC[C@H]1CN(C(=O)C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000672500710 1080650900 /nfs/dbraw/zinc/65/09/00/1080650900.db2.gz VZORTFPDICFZIW-QGZVFWFLSA-N 1 0 411.543 0.790 20 0 HCADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000672501272 1080650826 /nfs/dbraw/zinc/65/08/26/1080650826.db2.gz GUWLSMZJAODJDE-INIZCTEOSA-N 1 0 408.543 0.653 20 0 HCADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000672501273 1080650576 /nfs/dbraw/zinc/65/05/76/1080650576.db2.gz GUWLSMZJAODJDE-MRXNPFEDSA-N 1 0 408.543 0.653 20 0 HCADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000672501338 1080649991 /nfs/dbraw/zinc/64/99/91/1080649991.db2.gz ZWJYYYCQQULWGX-HZPDHXFCSA-N 1 0 401.577 0.268 20 0 HCADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000672501339 1080650160 /nfs/dbraw/zinc/65/01/60/1080650160.db2.gz ZWJYYYCQQULWGX-JKSUJKDBSA-N 1 0 401.577 0.268 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1CN(C)CCO1 ZINC000672501405 1080650101 /nfs/dbraw/zinc/65/01/01/1080650101.db2.gz URCGUUNVQZRUBD-MSOLQXFVSA-N 1 0 424.586 0.752 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1CN(C)CCO1 ZINC000672501406 1080650706 /nfs/dbraw/zinc/65/07/06/1080650706.db2.gz URCGUUNVQZRUBD-QZTJIDSGSA-N 1 0 424.586 0.752 20 0 HCADRO C[C@H](NC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1CN(C)CCO1 ZINC000672501407 1080650925 /nfs/dbraw/zinc/65/09/25/1080650925.db2.gz URCGUUNVQZRUBD-ROUUACIJSA-N 1 0 424.586 0.752 20 0 HCADRO C[C@H](NC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1CN(C)CCO1 ZINC000672501408 1080650640 /nfs/dbraw/zinc/65/06/40/1080650640.db2.gz URCGUUNVQZRUBD-ZWKOTPCHSA-N 1 0 424.586 0.752 20 0 HCADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000672508349 1080642791 /nfs/dbraw/zinc/64/27/91/1080642791.db2.gz LCCKEWUSSJSNHB-DOTOQJQBSA-N 1 0 410.540 0.745 20 0 HCADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000672508350 1080642792 /nfs/dbraw/zinc/64/27/92/1080642792.db2.gz LCCKEWUSSJSNHB-NVXWUHKLSA-N 1 0 410.540 0.745 20 0 HCADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000672508351 1080642729 /nfs/dbraw/zinc/64/27/29/1080642729.db2.gz LCCKEWUSSJSNHB-RDJZCZTQSA-N 1 0 410.540 0.745 20 0 HCADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000672508352 1080642687 /nfs/dbraw/zinc/64/26/87/1080642687.db2.gz LCCKEWUSSJSNHB-WBVHZDCISA-N 1 0 410.540 0.745 20 0 HCADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000672509278 1080643316 /nfs/dbraw/zinc/64/33/16/1080643316.db2.gz QLEGFPVKWAXGOA-KRWDZBQOSA-N 1 0 410.540 0.641 20 0 HCADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000672509279 1080643274 /nfs/dbraw/zinc/64/32/74/1080643274.db2.gz QLEGFPVKWAXGOA-QGZVFWFLSA-N 1 0 410.540 0.641 20 0 HCADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000672509298 1080643295 /nfs/dbraw/zinc/64/32/95/1080643295.db2.gz UGDHSJFNKVFWJL-KRWDZBQOSA-N 1 0 424.567 0.793 20 0 HCADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000672509299 1080643155 /nfs/dbraw/zinc/64/31/55/1080643155.db2.gz UGDHSJFNKVFWJL-QGZVFWFLSA-N 1 0 424.567 0.793 20 0 HCADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672509319 1080644073 /nfs/dbraw/zinc/64/40/73/1080644073.db2.gz XEWBJITUVZZWAG-MSOLQXFVSA-N 1 0 422.551 0.784 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000672509406 1080643208 /nfs/dbraw/zinc/64/32/08/1080643208.db2.gz BKYWWQDLKHPZGA-INIZCTEOSA-N 1 0 424.567 0.937 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000672509407 1080643308 /nfs/dbraw/zinc/64/33/08/1080643308.db2.gz BKYWWQDLKHPZGA-MRXNPFEDSA-N 1 0 424.567 0.937 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cc1)S(C)(=O)=O ZINC000672509754 1080646833 /nfs/dbraw/zinc/64/68/33/1080646833.db2.gz NFIJRMCXSLZFKZ-UHFFFAOYSA-N 1 0 422.551 0.785 20 0 HCADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672509780 1080645460 /nfs/dbraw/zinc/64/54/60/1080645460.db2.gz PZKWJKDQDIOBOC-UHFFFAOYSA-N 1 0 412.556 0.745 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1)S(C)(=O)=O ZINC000672509836 1080646031 /nfs/dbraw/zinc/64/60/31/1080646031.db2.gz SHFOFNLIAHQITK-AEFFLSMTSA-N 1 0 422.551 0.641 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1)S(C)(=O)=O ZINC000672509837 1080645890 /nfs/dbraw/zinc/64/58/90/1080645890.db2.gz SHFOFNLIAHQITK-FUHWJXTLSA-N 1 0 422.551 0.641 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1)S(C)(=O)=O ZINC000672509838 1080646117 /nfs/dbraw/zinc/64/61/17/1080646117.db2.gz SHFOFNLIAHQITK-SJLPKXTDSA-N 1 0 422.551 0.641 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1)S(C)(=O)=O ZINC000672509839 1080645996 /nfs/dbraw/zinc/64/59/96/1080645996.db2.gz SHFOFNLIAHQITK-WMZOPIPTSA-N 1 0 422.551 0.641 20 0 HCADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672509911 1080645960 /nfs/dbraw/zinc/64/59/60/1080645960.db2.gz AGDJLULFMCJTTB-UHFFFAOYSA-N 1 0 412.556 0.889 20 0 HCADRO CN(C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000672509945 1080645431 /nfs/dbraw/zinc/64/54/31/1080645431.db2.gz DHWOXXDIFKMXEN-KRWDZBQOSA-N 1 0 408.524 0.394 20 0 HCADRO CN(C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000672509946 1080645349 /nfs/dbraw/zinc/64/53/49/1080645349.db2.gz DHWOXXDIFKMXEN-QGZVFWFLSA-N 1 0 408.524 0.394 20 0 HCADRO CC[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000672510185 1080645409 /nfs/dbraw/zinc/64/54/09/1080645409.db2.gz PYSPKWBDDWQARB-UHFFFAOYSA-N 1 0 424.567 0.937 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1)S(C)(=O)=O ZINC000672510244 1080644577 /nfs/dbraw/zinc/64/45/77/1080644577.db2.gz ULKYSMDWLKGHOD-UHFFFAOYSA-N 1 0 424.567 0.889 20 0 HCADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000672510253 1080644478 /nfs/dbraw/zinc/64/44/78/1080644478.db2.gz UYMAJBYGLRWXGZ-INIZCTEOSA-N 1 0 410.540 0.547 20 0 HCADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000672510254 1080644491 /nfs/dbraw/zinc/64/44/91/1080644491.db2.gz UYMAJBYGLRWXGZ-MRXNPFEDSA-N 1 0 410.540 0.547 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1)S(C)(=O)=O ZINC000672510262 1080644543 /nfs/dbraw/zinc/64/45/43/1080644543.db2.gz VZJRHNFZUBIZIA-KRWDZBQOSA-N 1 0 408.524 0.395 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1)S(C)(=O)=O ZINC000672510263 1080644616 /nfs/dbraw/zinc/64/46/16/1080644616.db2.gz VZJRHNFZUBIZIA-QGZVFWFLSA-N 1 0 408.524 0.395 20 0 HCADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000672510318 1080644559 /nfs/dbraw/zinc/64/45/59/1080644559.db2.gz BDVBOIHZCBZUPK-KRWDZBQOSA-N 1 0 424.567 0.889 20 0 HCADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000672510319 1080644630 /nfs/dbraw/zinc/64/46/30/1080644630.db2.gz BDVBOIHZCBZUPK-QGZVFWFLSA-N 1 0 424.567 0.889 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1)S(C)(=O)=O ZINC000672510340 1080644507 /nfs/dbraw/zinc/64/45/07/1080644507.db2.gz DIEOIUZVYKLAFR-GOSISDBHSA-N 1 0 422.551 0.785 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1)S(C)(=O)=O ZINC000672510341 1080644583 /nfs/dbraw/zinc/64/45/83/1080644583.db2.gz DIEOIUZVYKLAFR-SFHVURJKSA-N 1 0 422.551 0.785 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1)S(C)(=O)=O ZINC000672510373 1080643955 /nfs/dbraw/zinc/64/39/55/1080643955.db2.gz HEUBZUWSHFBIAG-KRWDZBQOSA-N 1 0 422.551 0.643 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1)S(C)(=O)=O ZINC000672510374 1080643969 /nfs/dbraw/zinc/64/39/69/1080643969.db2.gz HEUBZUWSHFBIAG-QGZVFWFLSA-N 1 0 422.551 0.643 20 0 HCADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672510432 1080644060 /nfs/dbraw/zinc/64/40/60/1080644060.db2.gz NNNLWMAZRNTNQW-INIZCTEOSA-N 1 0 410.540 0.499 20 0 HCADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672510433 1080644003 /nfs/dbraw/zinc/64/40/03/1080644003.db2.gz NNNLWMAZRNTNQW-MRXNPFEDSA-N 1 0 410.540 0.499 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1)S(C)(=O)=O ZINC000672510458 1080646854 /nfs/dbraw/zinc/64/68/54/1080646854.db2.gz QBNQUUPCEGPZEP-UHFFFAOYSA-N 1 0 422.551 0.832 20 0 HCADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672510558 1080653298 /nfs/dbraw/zinc/65/32/98/1080653298.db2.gz YDSILENNXICQRU-UHFFFAOYSA-N 1 0 410.540 0.499 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1)S(C)(=O)=O ZINC000672510672 1080650084 /nfs/dbraw/zinc/65/00/84/1080650084.db2.gz JJJNGQOCRQEQPG-UHFFFAOYSA-N 1 0 422.551 0.689 20 0 HCADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000672510886 1080648832 /nfs/dbraw/zinc/64/88/32/1080648832.db2.gz HFZVLOLFSXOASP-CRAIPNDOSA-N 1 0 424.567 0.887 20 0 HCADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000672510887 1080648953 /nfs/dbraw/zinc/64/89/53/1080648953.db2.gz HFZVLOLFSXOASP-MAUKXSAKSA-N 1 0 424.567 0.887 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000672510888 1080648792 /nfs/dbraw/zinc/64/87/92/1080648792.db2.gz HFZVLOLFSXOASP-QAPCUYQASA-N 1 0 424.567 0.887 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000672510889 1080648914 /nfs/dbraw/zinc/64/89/14/1080648914.db2.gz HFZVLOLFSXOASP-YJBOKZPZSA-N 1 0 424.567 0.887 20 0 HCADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672510925 1080649349 /nfs/dbraw/zinc/64/93/49/1080649349.db2.gz ANYOXIMLTYDSFD-PBHICJAKSA-N 1 0 410.540 0.497 20 0 HCADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672510926 1080649461 /nfs/dbraw/zinc/64/94/61/1080649461.db2.gz ANYOXIMLTYDSFD-RHSMWYFYSA-N 1 0 410.540 0.497 20 0 HCADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672510927 1080649327 /nfs/dbraw/zinc/64/93/27/1080649327.db2.gz ANYOXIMLTYDSFD-WMLDXEAASA-N 1 0 410.540 0.497 20 0 HCADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672510928 1080649429 /nfs/dbraw/zinc/64/94/29/1080649429.db2.gz ANYOXIMLTYDSFD-YOEHRIQHSA-N 1 0 410.540 0.497 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1)S(C)(=O)=O ZINC000672510972 1080648146 /nfs/dbraw/zinc/64/81/46/1080648146.db2.gz FYYNETCIIHPTQE-UHFFFAOYSA-N 1 0 422.551 0.785 20 0 HCADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000672511017 1080648190 /nfs/dbraw/zinc/64/81/90/1080648190.db2.gz IKBMEVZYEBXQST-UHFFFAOYSA-N 1 0 410.540 0.641 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511076 1080648755 /nfs/dbraw/zinc/64/87/55/1080648755.db2.gz QDWCPNOWTHSLTI-INIZCTEOSA-N 1 0 410.540 0.689 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511077 1080648947 /nfs/dbraw/zinc/64/89/47/1080648947.db2.gz QDWCPNOWTHSLTI-MRXNPFEDSA-N 1 0 410.540 0.689 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000672511141 1080647640 /nfs/dbraw/zinc/64/76/40/1080647640.db2.gz KTPOGDDDGNSBRE-UHFFFAOYSA-N 1 0 424.567 0.937 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672511150 1080647598 /nfs/dbraw/zinc/64/75/98/1080647598.db2.gz LZLGRNYTVXEHJW-CVEARBPZSA-N 1 0 424.567 0.935 20 0 HCADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000672511153 1080648086 /nfs/dbraw/zinc/64/80/86/1080648086.db2.gz LZLGRNYTVXEHJW-HOTGVXAUSA-N 1 0 424.567 0.935 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672511154 1080648026 /nfs/dbraw/zinc/64/80/26/1080648026.db2.gz LZLGRNYTVXEHJW-HZPDHXFCSA-N 1 0 424.567 0.935 20 0 HCADRO C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000672511155 1080648206 /nfs/dbraw/zinc/64/82/06/1080648206.db2.gz LZLGRNYTVXEHJW-JKSUJKDBSA-N 1 0 424.567 0.935 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000672511378 1080646861 /nfs/dbraw/zinc/64/68/61/1080646861.db2.gz BYMMJQRCKFESBP-INIZCTEOSA-N 1 0 410.540 0.688 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000672511379 1080646796 /nfs/dbraw/zinc/64/67/96/1080646796.db2.gz BYMMJQRCKFESBP-MRXNPFEDSA-N 1 0 410.540 0.688 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511390 1080646781 /nfs/dbraw/zinc/64/67/81/1080646781.db2.gz CSIMXFOGZTZYMO-CXAGYDPISA-N 1 0 408.524 0.298 20 0 HCADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511391 1080647584 /nfs/dbraw/zinc/64/75/84/1080647584.db2.gz CSIMXFOGZTZYMO-DYVFJYSZSA-N 1 0 408.524 0.298 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511392 1080647531 /nfs/dbraw/zinc/64/75/31/1080647531.db2.gz CSIMXFOGZTZYMO-GUYCJALGSA-N 1 0 408.524 0.298 20 0 HCADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511393 1080647648 /nfs/dbraw/zinc/64/76/48/1080647648.db2.gz CSIMXFOGZTZYMO-SUMWQHHRSA-N 1 0 408.524 0.298 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1)S(C)(=O)=O ZINC000672511450 1080655325 /nfs/dbraw/zinc/65/53/25/1080655325.db2.gz IQUKEBFHZUQPFH-DOTOQJQBSA-N 1 0 408.524 0.251 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1)S(C)(=O)=O ZINC000672511451 1080655422 /nfs/dbraw/zinc/65/54/22/1080655422.db2.gz IQUKEBFHZUQPFH-NVXWUHKLSA-N 1 0 408.524 0.251 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1)S(C)(=O)=O ZINC000672511452 1080655386 /nfs/dbraw/zinc/65/53/86/1080655386.db2.gz IQUKEBFHZUQPFH-RDJZCZTQSA-N 1 0 408.524 0.251 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1)S(C)(=O)=O ZINC000672511453 1080655232 /nfs/dbraw/zinc/65/52/32/1080655232.db2.gz IQUKEBFHZUQPFH-WBVHZDCISA-N 1 0 408.524 0.251 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000672511467 1080655353 /nfs/dbraw/zinc/65/53/53/1080655353.db2.gz JGKXUUAWNBVKHK-GOSISDBHSA-N 1 0 422.551 0.785 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000672511468 1080655313 /nfs/dbraw/zinc/65/53/13/1080655313.db2.gz JGKXUUAWNBVKHK-SFHVURJKSA-N 1 0 422.551 0.785 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C[N@@H+]1C1CC1 ZINC000672511552 1080654136 /nfs/dbraw/zinc/65/41/36/1080654136.db2.gz QPBFSTLUVPJGQZ-DZGCQCFKSA-N 1 0 408.524 0.440 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C[N@@H+]1C1CC1 ZINC000672511553 1080654706 /nfs/dbraw/zinc/65/47/06/1080654706.db2.gz QPBFSTLUVPJGQZ-HIFRSBDPSA-N 1 0 408.524 0.440 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C[N@@H+]1C1CC1 ZINC000672511554 1080654674 /nfs/dbraw/zinc/65/46/74/1080654674.db2.gz QPBFSTLUVPJGQZ-UKRRQHHQSA-N 1 0 408.524 0.440 20 0 HCADRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C[N@@H+]1C1CC1 ZINC000672511555 1080654602 /nfs/dbraw/zinc/65/46/02/1080654602.db2.gz QPBFSTLUVPJGQZ-ZFWWWQNUSA-N 1 0 408.524 0.440 20 0 HCADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511570 1080654500 /nfs/dbraw/zinc/65/45/00/1080654500.db2.gz RWLCQVWYWAAQNN-HNNXBMFYSA-N 1 0 424.567 0.887 20 0 HCADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511571 1080654647 /nfs/dbraw/zinc/65/46/47/1080654647.db2.gz RWLCQVWYWAAQNN-OAHLLOKOSA-N 1 0 424.567 0.887 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1)S(C)(=O)=O ZINC000672511609 1080654579 /nfs/dbraw/zinc/65/45/79/1080654579.db2.gz WKRRWTPDRXPPAV-GOSISDBHSA-N 1 0 422.551 0.785 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1)S(C)(=O)=O ZINC000672511610 1080654556 /nfs/dbraw/zinc/65/45/56/1080654556.db2.gz WKRRWTPDRXPPAV-SFHVURJKSA-N 1 0 422.551 0.785 20 0 HCADRO CN(c1ccc(CNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1)S(C)(=O)=O ZINC000672511617 1080654541 /nfs/dbraw/zinc/65/45/41/1080654541.db2.gz XMYXXUBVMYRKCH-KRWDZBQOSA-N 1 0 424.567 0.935 20 0 HCADRO 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CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000672526987 1080665807 /nfs/dbraw/zinc/66/58/07/1080665807.db2.gz IAUQJDDQSNPJBX-QZTJIDSGSA-N 1 0 412.575 0.155 20 0 HCADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)C1 ZINC000672526988 1080665532 /nfs/dbraw/zinc/66/55/32/1080665532.db2.gz IAUQJDDQSNPJBX-ROUUACIJSA-N 1 0 412.575 0.155 20 0 HCADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000672526989 1080665785 /nfs/dbraw/zinc/66/57/85/1080665785.db2.gz IAUQJDDQSNPJBX-ZWKOTPCHSA-N 1 0 412.575 0.155 20 0 HCADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000672527347 1080665064 /nfs/dbraw/zinc/66/50/64/1080665064.db2.gz XHZGQSFQGMQMDK-AWEZNQCLSA-N 1 0 402.561 0.011 20 0 HCADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000672527348 1080664854 /nfs/dbraw/zinc/66/48/54/1080664854.db2.gz XHZGQSFQGMQMDK-CQSZACIVSA-N 1 0 402.561 0.011 20 0 HCADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1(C)C ZINC000672529221 1080666567 /nfs/dbraw/zinc/66/65/67/1080666567.db2.gz FBOASENWNBXVKS-KRWDZBQOSA-N 1 0 401.511 0.050 20 0 HCADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1(C)C ZINC000672529222 1080666630 /nfs/dbraw/zinc/66/66/30/1080666630.db2.gz FBOASENWNBXVKS-QGZVFWFLSA-N 1 0 401.511 0.050 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000672530144 1080667314 /nfs/dbraw/zinc/66/73/14/1080667314.db2.gz SHZVMEATPPTMHS-APWZRJJASA-N 1 0 413.522 0.193 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000672530145 1080667461 /nfs/dbraw/zinc/66/74/61/1080667461.db2.gz SHZVMEATPPTMHS-LPHOPBHVSA-N 1 0 413.522 0.193 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000672530146 1080667391 /nfs/dbraw/zinc/66/73/91/1080667391.db2.gz SHZVMEATPPTMHS-QFBILLFUSA-N 1 0 413.522 0.193 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000672530147 1080667179 /nfs/dbraw/zinc/66/71/79/1080667179.db2.gz SHZVMEATPPTMHS-VQIMIIECSA-N 1 0 413.522 0.193 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000672530167 1080667427 /nfs/dbraw/zinc/66/74/27/1080667427.db2.gz UZGYRBDSSOFDIZ-MOPGFXCFSA-N 1 0 413.522 0.147 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000672530168 1080667256 /nfs/dbraw/zinc/66/72/56/1080667256.db2.gz UZGYRBDSSOFDIZ-OALUTQOASA-N 1 0 413.522 0.147 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000672530169 1080667506 /nfs/dbraw/zinc/66/75/06/1080667506.db2.gz UZGYRBDSSOFDIZ-RBUKOAKNSA-N 1 0 413.522 0.147 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000672530170 1080667563 /nfs/dbraw/zinc/66/75/63/1080667563.db2.gz UZGYRBDSSOFDIZ-RTBURBONSA-N 1 0 413.522 0.147 20 0 HCADRO CCOc1cccc(CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000672532709 1080666576 /nfs/dbraw/zinc/66/65/76/1080666576.db2.gz GISWHZHDXILCGL-IBGZPJMESA-N 1 0 402.539 0.982 20 0 HCADRO CCOc1cccc(CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000672532710 1080667159 /nfs/dbraw/zinc/66/71/59/1080667159.db2.gz GISWHZHDXILCGL-LJQANCHMSA-N 1 0 402.539 0.982 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NCc2ccn(C)n2)CC1 ZINC000672534215 1080676492 /nfs/dbraw/zinc/67/64/92/1080676492.db2.gz KKOPDFHVXGRPHQ-UHFFFAOYSA-N 1 0 406.531 0.123 20 0 HCADRO Cc1cc(CNC(=O)C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)[nH]n1 ZINC000672538073 1080678388 /nfs/dbraw/zinc/67/83/88/1080678388.db2.gz BUSBILNGTCISRA-UHFFFAOYSA-N 1 0 414.510 0.624 20 0 HCADRO Cc1cc(CNC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)[nH]n1 ZINC000672539473 1080671632 /nfs/dbraw/zinc/67/16/32/1080671632.db2.gz FPCFTETWMGANLU-UHFFFAOYSA-N 1 0 406.531 0.277 20 0 HCADRO Cc1cc(CNC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)[nH]n1 ZINC000672539939 1080672406 /nfs/dbraw/zinc/67/24/06/1080672406.db2.gz XCMFALJUNLEYJA-UHFFFAOYSA-N 1 0 404.515 0.175 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NCc2cc(C)n[nH]2)CC1 ZINC000672541068 1080672496 /nfs/dbraw/zinc/67/24/96/1080672496.db2.gz QCMBEYSJNQLGAQ-UHFFFAOYSA-N 1 0 406.531 0.421 20 0 HCADRO Cc1cc(CNC(=O)C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)[nH]n1 ZINC000672542052 1080672933 /nfs/dbraw/zinc/67/29/33/1080672933.db2.gz ZKFKHESQGRCUFX-UHFFFAOYSA-N 1 0 404.559 0.989 20 0 HCADRO CCOc1cc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1OC ZINC000672543887 1080675088 /nfs/dbraw/zinc/67/50/88/1080675088.db2.gz AFGNQKKLOOONSS-KRWDZBQOSA-N 1 0 418.538 0.995 20 0 HCADRO CCOc1cc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1OC ZINC000672543888 1080674973 /nfs/dbraw/zinc/67/49/73/1080674973.db2.gz AFGNQKKLOOONSS-QGZVFWFLSA-N 1 0 418.538 0.995 20 0 HCADRO CCOc1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1OC ZINC000672543889 1080675250 /nfs/dbraw/zinc/67/52/50/1080675250.db2.gz AWEYEBOVUBVDAD-GOSISDBHSA-N 1 0 418.538 0.949 20 0 HCADRO CCOc1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1OC ZINC000672543890 1080675223 /nfs/dbraw/zinc/67/52/23/1080675223.db2.gz AWEYEBOVUBVDAD-SFHVURJKSA-N 1 0 418.538 0.949 20 0 HCADRO Cn1nc(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c2ccccc21 ZINC000672547160 1080675881 /nfs/dbraw/zinc/67/58/81/1080675881.db2.gz KNXZPUVXTOWDQT-KRWDZBQOSA-N 1 0 412.538 0.818 20 0 HCADRO Cn1nc(CNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c2ccccc21 ZINC000672547163 1080675924 /nfs/dbraw/zinc/67/59/24/1080675924.db2.gz KNXZPUVXTOWDQT-QGZVFWFLSA-N 1 0 412.538 0.818 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCc2nn(C)c3ccccc23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000672547254 1080676630 /nfs/dbraw/zinc/67/66/30/1080676630.db2.gz DHVSRMLAGGLKNR-APWZRJJASA-N 1 0 412.538 0.674 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCc2nn(C)c3ccccc23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000672547257 1080676543 /nfs/dbraw/zinc/67/65/43/1080676543.db2.gz DHVSRMLAGGLKNR-LPHOPBHVSA-N 1 0 412.538 0.674 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCc2nn(C)c3ccccc23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000672547258 1080676348 /nfs/dbraw/zinc/67/63/48/1080676348.db2.gz DHVSRMLAGGLKNR-QFBILLFUSA-N 1 0 412.538 0.674 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCc2nn(C)c3ccccc23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000672547259 1080676669 /nfs/dbraw/zinc/67/66/69/1080676669.db2.gz DHVSRMLAGGLKNR-VQIMIIECSA-N 1 0 412.538 0.674 20 0 HCADRO Cn1nc(CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c2ccccc21 ZINC000672547604 1080681706 /nfs/dbraw/zinc/68/17/06/1080681706.db2.gz LCICNGYFGSTPHQ-UHFFFAOYSA-N 1 0 412.538 0.676 20 0 HCADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCc2nn(C)c3ccccc23)CC1 ZINC000672547651 1080681665 /nfs/dbraw/zinc/68/16/65/1080681665.db2.gz NJFKGQQQPIPTCO-UHFFFAOYSA-N 1 0 408.462 0.942 20 0 HCADRO CN(C(=O)C(=O)NCc1nn(C)c2ccccc12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672547902 1080681624 /nfs/dbraw/zinc/68/16/24/1080681624.db2.gz ZKVKYJMOMZCVJK-KRWDZBQOSA-N 1 0 412.538 0.816 20 0 HCADRO CN(C(=O)C(=O)NCc1nn(C)c2ccccc12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672547903 1080681362 /nfs/dbraw/zinc/68/13/62/1080681362.db2.gz ZKVKYJMOMZCVJK-QGZVFWFLSA-N 1 0 412.538 0.816 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1nn(C)c2ccccc12 ZINC000672548102 1080681491 /nfs/dbraw/zinc/68/14/91/1080681491.db2.gz OHXUQLTYYKSDTC-UHFFFAOYSA-N 1 0 400.527 0.674 20 0 HCADRO Cn1nc(CNC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000672548954 1080682181 /nfs/dbraw/zinc/68/21/81/1080682181.db2.gz VBHJITIRXIQFPR-UHFFFAOYSA-N 1 0 410.478 0.841 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCc3nn(C)c4ccccc34)CC2)c1 ZINC000672549488 1080682958 /nfs/dbraw/zinc/68/29/58/1080682958.db2.gz ZHFVHTWCLPFEQZ-UHFFFAOYSA-N 1 0 408.462 0.942 20 0 HCADRO Cn1nccc1[C@H]1[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCC(=O)N1C ZINC000672550831 1080683048 /nfs/dbraw/zinc/68/30/48/1080683048.db2.gz ZSYGHYPXURRJKR-NDUPCHFUSA-N 1 0 418.542 0.759 20 0 HCADRO Cn1nccc1[C@H]1[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCC(=O)N1C ZINC000672550832 1080683957 /nfs/dbraw/zinc/68/39/57/1080683957.db2.gz ZSYGHYPXURRJKR-QQTQMKHKSA-N 1 0 418.542 0.759 20 0 HCADRO Cn1nccc1[C@H]1[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCC(=O)N1C ZINC000672550833 1080683819 /nfs/dbraw/zinc/68/38/19/1080683819.db2.gz ZSYGHYPXURRJKR-YNVMFWSZSA-N 1 0 418.542 0.759 20 0 HCADRO Cn1nccc1[C@H]1[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCC(=O)N1C ZINC000672550834 1080683801 /nfs/dbraw/zinc/68/38/01/1080683801.db2.gz ZSYGHYPXURRJKR-ZTRFORPCSA-N 1 0 418.542 0.759 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3cccc(-n4cncn4)c3)CC2)C1 ZINC000672551377 1080683191 /nfs/dbraw/zinc/68/31/91/1080683191.db2.gz OMGMZWJLYYSXLF-IBGZPJMESA-N 1 0 411.510 0.122 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3cccc(-n4cncn4)c3)CC2)C1 ZINC000672551378 1080682988 /nfs/dbraw/zinc/68/29/88/1080682988.db2.gz OMGMZWJLYYSXLF-LJQANCHMSA-N 1 0 411.510 0.122 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3cccc(-n4cncn4)c3)C2)CC1 ZINC000672551402 1080683091 /nfs/dbraw/zinc/68/30/91/1080683091.db2.gz YTFNBDPCSJLTQF-KRWDZBQOSA-N 1 0 411.510 0.168 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3cccc(-n4cncn4)c3)C2)CC1 ZINC000672551403 1080682936 /nfs/dbraw/zinc/68/29/36/1080682936.db2.gz YTFNBDPCSJLTQF-QGZVFWFLSA-N 1 0 411.510 0.168 20 0 HCADRO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672553401 1080679261 /nfs/dbraw/zinc/67/92/61/1080679261.db2.gz LLMJIDDTYRWWRV-UHFFFAOYSA-N 1 0 410.478 0.278 20 0 HCADRO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672553663 1080679975 /nfs/dbraw/zinc/67/99/75/1080679975.db2.gz ITONNURHUQHVHM-GOSISDBHSA-N 1 0 401.511 0.621 20 0 HCADRO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672553664 1080679954 /nfs/dbraw/zinc/67/99/54/1080679954.db2.gz ITONNURHUQHVHM-SFHVURJKSA-N 1 0 401.511 0.621 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000672559992 1080685401 /nfs/dbraw/zinc/68/54/01/1080685401.db2.gz YYJLNQZHWMYEFH-KRWDZBQOSA-N 1 0 401.511 0.240 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000672559993 1080685318 /nfs/dbraw/zinc/68/53/18/1080685318.db2.gz YYJLNQZHWMYEFH-QGZVFWFLSA-N 1 0 401.511 0.240 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)NCC(C)(C)c3ccncc3)CC2)CC1 ZINC000672560258 1080684521 /nfs/dbraw/zinc/68/45/21/1080684521.db2.gz NINMMVBBGJTGNO-UHFFFAOYSA-N 1 0 401.555 0.961 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000672560660 1080685886 /nfs/dbraw/zinc/68/58/86/1080685886.db2.gz LASBNGPQEVWXDV-HKUYNNGSSA-N 1 0 401.555 0.960 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000672560661 1080686017 /nfs/dbraw/zinc/68/60/17/1080686017.db2.gz LASBNGPQEVWXDV-IEBWSBKVSA-N 1 0 401.555 0.960 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000672560662 1080686104 /nfs/dbraw/zinc/68/61/04/1080686104.db2.gz LASBNGPQEVWXDV-MJGOQNOKSA-N 1 0 401.555 0.960 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000672560663 1080685974 /nfs/dbraw/zinc/68/59/74/1080685974.db2.gz LASBNGPQEVWXDV-PKOBYXMFSA-N 1 0 401.555 0.960 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000672562888 1080686746 /nfs/dbraw/zinc/68/67/46/1080686746.db2.gz NYQRGNZXEFLROH-UHFFFAOYSA-N 1 0 403.527 0.488 20 0 HCADRO CC(C)(CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccncc1 ZINC000672564776 1080688299 /nfs/dbraw/zinc/68/82/99/1080688299.db2.gz QKSHHLJTLDCKAY-UHFFFAOYSA-N 1 0 401.511 0.242 20 0 HCADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000672565431 1080687606 /nfs/dbraw/zinc/68/76/06/1080687606.db2.gz JLPAXQBIGHRBBM-CYBMUJFWSA-N 1 0 409.434 0.736 20 0 HCADRO CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000672565433 1080687416 /nfs/dbraw/zinc/68/74/16/1080687416.db2.gz JLPAXQBIGHRBBM-ZDUSSCGKSA-N 1 0 409.434 0.736 20 0 HCADRO CC[C@H](C)[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000672568578 1080694277 /nfs/dbraw/zinc/69/42/77/1080694277.db2.gz JXNSLRDMOVMRRG-AWEZNQCLSA-N 1 0 419.494 0.891 20 0 HCADRO CC[C@@H](C)[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000672568579 1080694159 /nfs/dbraw/zinc/69/41/59/1080694159.db2.gz JXNSLRDMOVMRRG-CQSZACIVSA-N 1 0 419.494 0.891 20 0 HCADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000672573383 1080689711 /nfs/dbraw/zinc/68/97/11/1080689711.db2.gz QUYASHKKJSIYGB-INIZCTEOSA-N 1 0 402.561 0.299 20 0 HCADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000672573384 1080689731 /nfs/dbraw/zinc/68/97/31/1080689731.db2.gz QUYASHKKJSIYGB-MRXNPFEDSA-N 1 0 402.561 0.299 20 0 HCADRO CC(=O)NCC[C@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000672576670 1080690986 /nfs/dbraw/zinc/69/09/86/1080690986.db2.gz XDRVPCSONJSHLB-GOSISDBHSA-N 1 0 424.567 0.621 20 0 HCADRO CC(=O)NCC[C@@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000672576671 1080691137 /nfs/dbraw/zinc/69/11/37/1080691137.db2.gz XDRVPCSONJSHLB-SFHVURJKSA-N 1 0 424.567 0.621 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000672588056 1080695794 /nfs/dbraw/zinc/69/57/94/1080695794.db2.gz AVSDBJGNHYALIO-AZUAARDMSA-N 1 0 402.539 0.946 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000672588057 1080695672 /nfs/dbraw/zinc/69/56/72/1080695672.db2.gz AVSDBJGNHYALIO-ICSRJNTNSA-N 1 0 402.539 0.946 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000672588058 1080695952 /nfs/dbraw/zinc/69/59/52/1080695952.db2.gz AVSDBJGNHYALIO-QUCCMNQESA-N 1 0 402.539 0.946 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000672588059 1080695713 /nfs/dbraw/zinc/69/57/13/1080695713.db2.gz AVSDBJGNHYALIO-UYAOXDASSA-N 1 0 402.539 0.946 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000672588195 1080695643 /nfs/dbraw/zinc/69/56/43/1080695643.db2.gz UWJNHAKDCLTIJV-KRWDZBQOSA-N 1 0 418.538 0.624 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000672588198 1080695626 /nfs/dbraw/zinc/69/56/26/1080695626.db2.gz UWJNHAKDCLTIJV-QGZVFWFLSA-N 1 0 418.538 0.624 20 0 HCADRO COCCN1CCCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1=O ZINC000672588388 1080695034 /nfs/dbraw/zinc/69/50/34/1080695034.db2.gz ZWYNPRPZEBMALV-KRWDZBQOSA-N 1 0 404.511 0.330 20 0 HCADRO COCCN1CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1=O ZINC000672588389 1080694854 /nfs/dbraw/zinc/69/48/54/1080694854.db2.gz ZWYNPRPZEBMALV-QGZVFWFLSA-N 1 0 404.511 0.330 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)[N@H+](C)Cc1ccccc1 ZINC000672588544 1080696736 /nfs/dbraw/zinc/69/67/36/1080696736.db2.gz XIBAMGWPTFYUQL-CRAIPNDOSA-N 1 0 412.494 0.278 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)[N@H+](C)Cc1ccccc1 ZINC000672588545 1080696496 /nfs/dbraw/zinc/69/64/96/1080696496.db2.gz XIBAMGWPTFYUQL-MAUKXSAKSA-N 1 0 412.494 0.278 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)[N@H+](C)Cc1ccccc1 ZINC000672588546 1080696388 /nfs/dbraw/zinc/69/63/88/1080696388.db2.gz XIBAMGWPTFYUQL-QAPCUYQASA-N 1 0 412.494 0.278 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)[N@H+](C)Cc1ccccc1 ZINC000672588547 1080696620 /nfs/dbraw/zinc/69/66/20/1080696620.db2.gz XIBAMGWPTFYUQL-YJBOKZPZSA-N 1 0 412.494 0.278 20 0 HCADRO COC1(CO)CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000672589781 1080696595 /nfs/dbraw/zinc/69/65/95/1080696595.db2.gz PQZFZZPJKSMOOV-UHFFFAOYSA-N 1 0 419.522 0.777 20 0 HCADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000672589831 1080696632 /nfs/dbraw/zinc/69/66/32/1080696632.db2.gz HVLBJECISUWVJW-INIZCTEOSA-N 1 0 402.495 0.514 20 0 HCADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000672589833 1080697220 /nfs/dbraw/zinc/69/72/20/1080697220.db2.gz HVLBJECISUWVJW-MRXNPFEDSA-N 1 0 402.495 0.514 20 0 HCADRO C[C@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CN(C)CCO1 ZINC000672589944 1080696540 /nfs/dbraw/zinc/69/65/40/1080696540.db2.gz ADYKZRCGPDKEDZ-FXAWDEMLSA-N 1 0 418.538 0.613 20 0 HCADRO C[C@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CN(C)CCO1 ZINC000672589945 1080696670 /nfs/dbraw/zinc/69/66/70/1080696670.db2.gz ADYKZRCGPDKEDZ-PXNSSMCTSA-N 1 0 418.538 0.613 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CN(C)CCO1 ZINC000672589946 1080696566 /nfs/dbraw/zinc/69/65/66/1080696566.db2.gz ADYKZRCGPDKEDZ-XLIONFOSSA-N 1 0 418.538 0.613 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CN(C)CCO1 ZINC000672589947 1080696469 /nfs/dbraw/zinc/69/64/69/1080696469.db2.gz ADYKZRCGPDKEDZ-YLJYHZDGSA-N 1 0 418.538 0.613 20 0 HCADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000672593191 1080697269 /nfs/dbraw/zinc/69/72/69/1080697269.db2.gz ROJNDLXRGFMUKL-IAGOWNOFSA-N 1 0 417.576 0.011 20 0 HCADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC[N@@H+]1C ZINC000672594591 1080698111 /nfs/dbraw/zinc/69/81/11/1080698111.db2.gz KIPZKDZMUDJSIM-GDBMZVCRSA-N 1 0 408.524 0.442 20 0 HCADRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC[N@@H+]1C ZINC000672594592 1080698166 /nfs/dbraw/zinc/69/81/66/1080698166.db2.gz KIPZKDZMUDJSIM-GOEBONIOSA-N 1 0 408.524 0.442 20 0 HCADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC[N@@H+]1C ZINC000672594593 1080698099 /nfs/dbraw/zinc/69/80/99/1080698099.db2.gz KIPZKDZMUDJSIM-HOCLYGCPSA-N 1 0 408.524 0.442 20 0 HCADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC[N@@H+]1C ZINC000672594594 1080697999 /nfs/dbraw/zinc/69/79/99/1080697999.db2.gz KIPZKDZMUDJSIM-ZBFHGGJFSA-N 1 0 408.524 0.442 20 0 HCADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)ccc1F ZINC000672594685 1080698194 /nfs/dbraw/zinc/69/81/94/1080698194.db2.gz FTHNUSYAGARGRV-GOSISDBHSA-N 1 0 406.502 0.827 20 0 HCADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)ccc1F ZINC000672594686 1080698149 /nfs/dbraw/zinc/69/81/49/1080698149.db2.gz FTHNUSYAGARGRV-SFHVURJKSA-N 1 0 406.502 0.827 20 0 HCADRO Cc1nccnc1N1CCN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000672594802 1080697971 /nfs/dbraw/zinc/69/79/71/1080697971.db2.gz OQRSBCCOZOFKJT-UHFFFAOYSA-N 1 0 414.485 0.951 20 0 HCADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000672594964 1080698210 /nfs/dbraw/zinc/69/82/10/1080698210.db2.gz YXBBASPSOSQXJW-UHFFFAOYSA-N 1 0 422.501 0.505 20 0 HCADRO CCN1C[C@@H](CN(C)C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)Oc2ccccc21 ZINC000672596047 1080698673 /nfs/dbraw/zinc/69/86/73/1080698673.db2.gz WOMJTQMPMQQLCB-DLBZAZTESA-N 1 0 403.527 0.094 20 0 HCADRO CCN1C[C@@H](CN(C)C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)Oc2ccccc21 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JSSSDCXWEMGABE-LPHOPBHVSA-N 1 0 406.527 0.640 20 0 HCADRO COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)OC(C)C ZINC000672597240 1080699546 /nfs/dbraw/zinc/69/95/46/1080699546.db2.gz JSSSDCXWEMGABE-QFBILLFUSA-N 1 0 406.527 0.640 20 0 HCADRO COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)OC(C)C ZINC000672597241 1080699641 /nfs/dbraw/zinc/69/96/41/1080699641.db2.gz JSSSDCXWEMGABE-VQIMIIECSA-N 1 0 406.527 0.640 20 0 HCADRO CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000672597268 1080699531 /nfs/dbraw/zinc/69/95/31/1080699531.db2.gz PZPMPNYVUGYZQD-PMACEKPBSA-N 1 0 421.586 0.378 20 0 HCADRO CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000672597269 1080699587 /nfs/dbraw/zinc/69/95/87/1080699587.db2.gz PZPMPNYVUGYZQD-UXHICEINSA-N 1 0 421.586 0.378 20 0 HCADRO CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000672597270 1080699594 /nfs/dbraw/zinc/69/95/94/1080699594.db2.gz PZPMPNYVUGYZQD-VQTJNVASSA-N 1 0 421.586 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O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000672625616 1080706617 /nfs/dbraw/zinc/70/66/17/1080706617.db2.gz DHTXKOHJPFXSOY-UONOGXRCSA-N 1 0 404.433 0.743 20 0 HCADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000672625617 1080706534 /nfs/dbraw/zinc/70/65/34/1080706534.db2.gz DHTXKOHJPFXSOY-ZIAGYGMSSA-N 1 0 404.433 0.743 20 0 HCADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000672625722 1080708117 /nfs/dbraw/zinc/70/81/17/1080708117.db2.gz ZMBOBWCRYBHPCS-AWEZNQCLSA-N 1 0 422.448 0.271 20 0 HCADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000672625723 1080708075 /nfs/dbraw/zinc/70/80/75/1080708075.db2.gz ZMBOBWCRYBHPCS-CQSZACIVSA-N 1 0 422.448 0.271 20 0 HCADRO CN1C[C@H](NC(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1=O ZINC000672626449 1080706988 /nfs/dbraw/zinc/70/69/88/1080706988.db2.gz PZJDXPOJVPZINK-GOSISDBHSA-N 1 0 416.522 0.557 20 0 HCADRO CN1C[C@@H](NC(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1=O ZINC000672626450 1080707023 /nfs/dbraw/zinc/70/70/23/1080707023.db2.gz PZJDXPOJVPZINK-SFHVURJKSA-N 1 0 416.522 0.557 20 0 HCADRO Cc1cc(CNC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ncn1 ZINC000672630892 1080711981 /nfs/dbraw/zinc/71/19/81/1080711981.db2.gz FTEIINJJQUKGRN-UHFFFAOYSA-N 1 0 418.542 0.344 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NCc2cc(C)ncn2)CC1 ZINC000672631309 1080711478 /nfs/dbraw/zinc/71/14/78/1080711478.db2.gz NISPTVOPVLNZRT-UHFFFAOYSA-N 1 0 418.542 0.488 20 0 HCADRO Cc1cc(CNC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)ncn1 ZINC000672632038 1080712744 /nfs/dbraw/zinc/71/27/44/1080712744.db2.gz OPFZTRFRGCYTBB-UHFFFAOYSA-N 1 0 416.526 0.242 20 0 HCADRO Cc1cc(CNC(=O)C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)ncn1 ZINC000672633006 1080712629 /nfs/dbraw/zinc/71/26/29/1080712629.db2.gz JCJIHSOMAAFQHN-UHFFFAOYSA-N 1 0 410.522 0.677 20 0 HCADRO Cc1cc(CNC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)ncn1 ZINC000672633805 1080713199 /nfs/dbraw/zinc/71/31/99/1080713199.db2.gz SSTXDIFYSPMIHS-UHFFFAOYSA-N 1 0 404.515 0.144 20 0 HCADRO COC1(CO)CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000672634641 1080713185 /nfs/dbraw/zinc/71/31/85/1080713185.db2.gz MXAUUGNSGWPJPK-UHFFFAOYSA-N 1 0 413.584 0.854 20 0 HCADRO C[C@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CN(C)CCO1 ZINC000672635496 1080713284 /nfs/dbraw/zinc/71/32/84/1080713284.db2.gz WXMOIBPQDJFELA-DLBZAZTESA-N 1 0 412.600 0.690 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CN(C)CCO1 ZINC000672635497 1080713125 /nfs/dbraw/zinc/71/31/25/1080713125.db2.gz WXMOIBPQDJFELA-IAGOWNOFSA-N 1 0 412.600 0.690 20 0 HCADRO C[C@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CN(C)CCO1 ZINC000672635498 1080713344 /nfs/dbraw/zinc/71/33/44/1080713344.db2.gz WXMOIBPQDJFELA-IRXDYDNUSA-N 1 0 412.600 0.690 20 0 HCADRO C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CN(C)CCO1 ZINC000672635499 1080713231 /nfs/dbraw/zinc/71/32/31/1080713231.db2.gz 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CN(C)c1cccc(CN(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000672637274 1080714273 /nfs/dbraw/zinc/71/42/73/1080714273.db2.gz CRPBLYMHDOYIRW-SFHVURJKSA-N 1 0 401.555 0.996 20 0 HCADRO Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000672637297 1080714228 /nfs/dbraw/zinc/71/42/28/1080714228.db2.gz DLHACPKEUWFPFF-IBGZPJMESA-N 1 0 413.566 0.928 20 0 HCADRO Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000672637298 1080714873 /nfs/dbraw/zinc/71/48/73/1080714873.db2.gz DLHACPKEUWFPFF-LJQANCHMSA-N 1 0 413.566 0.928 20 0 HCADRO Cc1ccc(CN(CCO)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000672637301 1080715064 /nfs/dbraw/zinc/71/50/64/1080715064.db2.gz DLQAZFXGAQRTKA-IBGZPJMESA-N 1 0 402.539 0.601 20 0 HCADRO Cc1ccc(CN(CCO)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000672637302 1080715165 /nfs/dbraw/zinc/71/51/65/1080715165.db2.gz DLQAZFXGAQRTKA-LJQANCHMSA-N 1 0 402.539 0.601 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccn4)CC3)C2)CC1 ZINC000672637305 1080715093 /nfs/dbraw/zinc/71/50/93/1080715093.db2.gz DNBAROHBBOLGDM-IBGZPJMESA-N 1 0 414.554 0.011 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccn4)CC3)C2)CC1 ZINC000672637306 1080714915 /nfs/dbraw/zinc/71/49/15/1080714915.db2.gz DNBAROHBBOLGDM-LJQANCHMSA-N 1 0 414.554 0.011 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3cc(COC(C)(C)C)on3)C2)CC1 ZINC000672637365 1080714980 /nfs/dbraw/zinc/71/49/80/1080714980.db2.gz FVGGOEUTIMUCSQ-HNNXBMFYSA-N 1 0 421.542 0.891 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3cc(COC(C)(C)C)on3)C2)CC1 ZINC000672637366 1080715124 /nfs/dbraw/zinc/71/51/24/1080715124.db2.gz FVGGOEUTIMUCSQ-OAHLLOKOSA-N 1 0 421.542 0.891 20 0 HCADRO Cc1ccncc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672637451 1080713855 /nfs/dbraw/zinc/71/38/55/1080713855.db2.gz HRNIHZGVBNKYMB-GOSISDBHSA-N 1 0 414.554 0.323 20 0 HCADRO 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C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4cccc(O)c4)C3)C2)CC1 ZINC000672637938 1080719706 /nfs/dbraw/zinc/71/97/06/1080719706.db2.gz PQBGFMNQUSJVIZ-XLIONFOSSA-N 1 0 416.522 0.577 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4cccc(O)c4)C3)C2)CC1 ZINC000672637939 1080718801 /nfs/dbraw/zinc/71/88/01/1080718801.db2.gz PQBGFMNQUSJVIZ-YLJYHZDGSA-N 1 0 416.522 0.577 20 0 HCADRO C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)C[C@H](C)O2 ZINC000672637984 1080718267 /nfs/dbraw/zinc/71/82/67/1080718267.db2.gz BUOKDSIYMJNESP-BZDHPDOMSA-N 1 0 422.570 0.456 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000672637986 1080718946 /nfs/dbraw/zinc/71/89/46/1080718946.db2.gz BUOKDSIYMJNESP-OZQHCQBDSA-N 1 0 422.570 0.456 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000672637987 1080719497 /nfs/dbraw/zinc/71/94/97/1080719497.db2.gz BUOKDSIYMJNESP-QSNWEANLSA-N 1 0 422.570 0.456 20 0 HCADRO C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)C[C@H](C)O2 ZINC000672637989 1080720022 /nfs/dbraw/zinc/72/00/22/1080720022.db2.gz BUOKDSIYMJNESP-WYADAEROSA-N 1 0 422.570 0.456 20 0 HCADRO Cn1cc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C(F)(F)F)n1 ZINC000672638058 1080718874 /nfs/dbraw/zinc/71/88/74/1080718874.db2.gz DAMDRAMEWNNWHD-CYBMUJFWSA-N 1 0 416.448 0.340 20 0 HCADRO Cn1cc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C(F)(F)F)n1 ZINC000672638061 1080719628 /nfs/dbraw/zinc/71/96/28/1080719628.db2.gz DAMDRAMEWNNWHD-ZDUSSCGKSA-N 1 0 416.448 0.340 20 0 HCADRO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638106 1080716499 /nfs/dbraw/zinc/71/64/99/1080716499.db2.gz KMCZVWDOUBOSAF-MOPGFXCFSA-N 1 0 402.539 0.645 20 0 HCADRO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638107 1080716979 /nfs/dbraw/zinc/71/69/79/1080716979.db2.gz KMCZVWDOUBOSAF-OALUTQOASA-N 1 0 402.539 0.645 20 0 HCADRO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638108 1080716810 /nfs/dbraw/zinc/71/68/10/1080716810.db2.gz KMCZVWDOUBOSAF-RBUKOAKNSA-N 1 0 402.539 0.645 20 0 HCADRO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638109 1080717084 /nfs/dbraw/zinc/71/70/84/1080717084.db2.gz KMCZVWDOUBOSAF-RTBURBONSA-N 1 0 402.539 0.645 20 0 HCADRO COc1ccccc1CCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638114 1080717877 /nfs/dbraw/zinc/71/78/77/1080717877.db2.gz KTVZJGNPMZDKIK-GOSISDBHSA-N 1 0 402.539 0.981 20 0 HCADRO COc1ccccc1CCN(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638115 1080718042 /nfs/dbraw/zinc/71/80/42/1080718042.db2.gz KTVZJGNPMZDKIK-SFHVURJKSA-N 1 0 402.539 0.981 20 0 HCADRO Cn1cc(C[C@H]2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672638136 1080717708 /nfs/dbraw/zinc/71/77/08/1080717708.db2.gz MPWSZXMGDMALJF-AEFFLSMTSA-N 1 0 402.543 0.096 20 0 HCADRO Cn1cc(C[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672638137 1080717914 /nfs/dbraw/zinc/71/79/14/1080717914.db2.gz MPWSZXMGDMALJF-FUHWJXTLSA-N 1 0 402.543 0.096 20 0 HCADRO Cn1cc(C[C@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672638138 1080717741 /nfs/dbraw/zinc/71/77/41/1080717741.db2.gz MPWSZXMGDMALJF-SJLPKXTDSA-N 1 0 402.543 0.096 20 0 HCADRO Cn1cc(C[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672638139 1080718334 /nfs/dbraw/zinc/71/83/34/1080718334.db2.gz MPWSZXMGDMALJF-WMZOPIPTSA-N 1 0 402.543 0.096 20 0 HCADRO CC(C)Oc1cc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccn1 ZINC000672638179 1080717630 /nfs/dbraw/zinc/71/76/30/1080717630.db2.gz AOUXYTTXHRTZCZ-KRWDZBQOSA-N 1 0 403.527 0.770 20 0 HCADRO CC(C)Oc1cc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccn1 ZINC000672638180 1080717840 /nfs/dbraw/zinc/71/78/40/1080717840.db2.gz AOUXYTTXHRTZCZ-QGZVFWFLSA-N 1 0 403.527 0.770 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@@]4(CCOC4)OC(C)(C)C3)C2)CC1 ZINC000672638209 1080717777 /nfs/dbraw/zinc/71/77/77/1080717777.db2.gz BVHCHXGYUZFGLD-HRAATJIYSA-N 1 0 408.543 0.068 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3C[C@]4(CCOC4)OC(C)(C)C3)C2)CC1 ZINC000672638210 1080717808 /nfs/dbraw/zinc/71/78/08/1080717808.db2.gz BVHCHXGYUZFGLD-IERDGZPVSA-N 1 0 408.543 0.068 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3C[C@@]4(CCOC4)OC(C)(C)C3)C2)CC1 ZINC000672638211 1080718215 /nfs/dbraw/zinc/71/82/15/1080718215.db2.gz BVHCHXGYUZFGLD-IIBYNOLFSA-N 1 0 408.543 0.068 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@]4(CCOC4)OC(C)(C)C3)C2)CC1 ZINC000672638212 1080717970 /nfs/dbraw/zinc/71/79/70/1080717970.db2.gz BVHCHXGYUZFGLD-KKSFZXQISA-N 1 0 408.543 0.068 20 0 HCADRO Cn1cc(-c2ccccc2CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672638235 1080717669 /nfs/dbraw/zinc/71/76/69/1080717669.db2.gz RGEAVYTYMZHYMS-IBGZPJMESA-N 1 0 424.549 0.988 20 0 HCADRO Cn1cc(-c2ccccc2CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672638237 1080718004 /nfs/dbraw/zinc/71/80/04/1080718004.db2.gz RGEAVYTYMZHYMS-LJQANCHMSA-N 1 0 424.549 0.988 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)C2)CC1 ZINC000672638278 1080716466 /nfs/dbraw/zinc/71/64/66/1080716466.db2.gz FGQVMGULQWGVSC-KRWDZBQOSA-N 1 0 402.543 0.899 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)C2)CC1 ZINC000672638282 1080716604 /nfs/dbraw/zinc/71/66/04/1080716604.db2.gz FGQVMGULQWGVSC-QGZVFWFLSA-N 1 0 402.543 0.899 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N(CCCO)Cc3ccccn3)C2)CC1 ZINC000672638341 1080716931 /nfs/dbraw/zinc/71/69/31/1080716931.db2.gz RVMXZOHAFPOZCV-GOSISDBHSA-N 1 0 403.527 0.077 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N(CCCO)Cc3ccccn3)C2)CC1 ZINC000672638355 1080717012 /nfs/dbraw/zinc/71/70/12/1080717012.db2.gz RVMXZOHAFPOZCV-SFHVURJKSA-N 1 0 403.527 0.077 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4ccccc4)C3)C2)CC1 ZINC000672638444 1080717111 /nfs/dbraw/zinc/71/71/11/1080717111.db2.gz PUEURXDFAIWAEY-ICSRJNTNSA-N 1 0 400.523 0.871 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4ccccc4)C3)C2)CC1 ZINC000672638445 1080716707 /nfs/dbraw/zinc/71/67/07/1080716707.db2.gz PUEURXDFAIWAEY-QUCCMNQESA-N 1 0 400.523 0.871 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4ccccc4)C3)C2)CC1 ZINC000672638448 1080716848 /nfs/dbraw/zinc/71/68/48/1080716848.db2.gz PUEURXDFAIWAEY-UYAOXDASSA-N 1 0 400.523 0.871 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC(OC[C@@H]4CCOC4)CC3)C2)CC1 ZINC000672638476 1080717143 /nfs/dbraw/zinc/71/71/43/1080717143.db2.gz SRYVYADQZZVUJZ-MSOLQXFVSA-N 1 0 422.570 0.315 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC(OC[C@@H]4CCOC4)CC3)C2)CC1 ZINC000672638478 1080716888 /nfs/dbraw/zinc/71/68/88/1080716888.db2.gz SRYVYADQZZVUJZ-QZTJIDSGSA-N 1 0 422.570 0.315 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)C2)CC1 ZINC000672638499 1080716753 /nfs/dbraw/zinc/71/67/53/1080716753.db2.gz IKYCMCFNFZLJGF-AITUJVMLSA-N 1 0 404.555 0.735 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C2)CC1 ZINC000672638501 1080717057 /nfs/dbraw/zinc/71/70/57/1080717057.db2.gz IKYCMCFNFZLJGF-GDAAHCPNSA-N 1 0 404.555 0.735 20 0 HCADRO COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638525 1080716420 /nfs/dbraw/zinc/71/64/20/1080716420.db2.gz SXAJJKFFXSZRJA-DLBZAZTESA-N 1 0 418.538 0.863 20 0 HCADRO COc1ccccc1O[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638526 1080716653 /nfs/dbraw/zinc/71/66/53/1080716653.db2.gz SXAJJKFFXSZRJA-IAGOWNOFSA-N 1 0 418.538 0.863 20 0 HCADRO COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638527 1080717175 /nfs/dbraw/zinc/71/71/75/1080717175.db2.gz SXAJJKFFXSZRJA-IRXDYDNUSA-N 1 0 418.538 0.863 20 0 HCADRO COc1ccccc1O[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638528 1080716553 /nfs/dbraw/zinc/71/65/53/1080716553.db2.gz SXAJJKFFXSZRJA-SJORKVTESA-N 1 0 418.538 0.863 20 0 HCADRO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@H]1C ZINC000672638568 1080721924 /nfs/dbraw/zinc/72/19/24/1080721924.db2.gz FQVYYRZMZBBPMU-IKGGRYGDSA-N 1 0 407.559 0.177 20 0 HCADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@H]1C ZINC000672638569 1080721078 /nfs/dbraw/zinc/72/10/78/1080721078.db2.gz FQVYYRZMZBBPMU-IXDOHACOSA-N 1 0 407.559 0.177 20 0 HCADRO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@@H]1C ZINC000672638570 1080720919 /nfs/dbraw/zinc/72/09/19/1080720919.db2.gz FQVYYRZMZBBPMU-ULQDDVLXSA-N 1 0 407.559 0.177 20 0 HCADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@@H]1C ZINC000672638571 1080721979 /nfs/dbraw/zinc/72/19/79/1080721979.db2.gz FQVYYRZMZBBPMU-YESZJQIVSA-N 1 0 407.559 0.177 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC(OC[C@H]4CCOC4)CC3)C2)CC1 ZINC000672638573 1080720539 /nfs/dbraw/zinc/72/05/39/1080720539.db2.gz SRYVYADQZZVUJZ-ROUUACIJSA-N 1 0 422.570 0.315 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC(OC[C@H]4CCOC4)CC3)C2)CC1 ZINC000672638574 1080720723 /nfs/dbraw/zinc/72/07/23/1080720723.db2.gz SRYVYADQZZVUJZ-ZWKOTPCHSA-N 1 0 422.570 0.315 20 0 HCADRO Cn1cc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000672638611 1080721844 /nfs/dbraw/zinc/72/18/44/1080721844.db2.gz TUNGQSWGESXLRA-IBGZPJMESA-N 1 0 424.549 0.988 20 0 HCADRO Cn1cc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000672638612 1080721421 /nfs/dbraw/zinc/72/14/21/1080721421.db2.gz TUNGQSWGESXLRA-LJQANCHMSA-N 1 0 424.549 0.988 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCCN(c4nccs4)CC3)C2)CC1 ZINC000672638613 1080720647 /nfs/dbraw/zinc/72/06/47/1080720647.db2.gz TUUQJVZQXSFMMN-INIZCTEOSA-N 1 0 420.583 0.467 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCCN(c4nccs4)CC3)C2)CC1 ZINC000672638617 1080720992 /nfs/dbraw/zinc/72/09/92/1080720992.db2.gz TUUQJVZQXSFMMN-MRXNPFEDSA-N 1 0 420.583 0.467 20 0 HCADRO CN(C)C(=O)C1(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672638679 1080723437 /nfs/dbraw/zinc/72/34/37/1080723437.db2.gz UKOZKJVPMUFFKX-INIZCTEOSA-N 1 0 407.559 0.036 20 0 HCADRO CN(C)C(=O)C1(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672638681 1080722341 /nfs/dbraw/zinc/72/23/41/1080722341.db2.gz UKOZKJVPMUFFKX-MRXNPFEDSA-N 1 0 407.559 0.036 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000672638721 1080727597 /nfs/dbraw/zinc/72/75/97/1080727597.db2.gz HXVVCGVSZOSURW-GOSISDBHSA-N 1 0 417.529 0.759 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000672638726 1080727704 /nfs/dbraw/zinc/72/77/04/1080727704.db2.gz HXVVCGVSZOSURW-SFHVURJKSA-N 1 0 417.529 0.759 20 0 HCADRO CN(CCOc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638729 1080726997 /nfs/dbraw/zinc/72/69/97/1080726997.db2.gz IBSXXOKJOXFKKE-KRWDZBQOSA-N 1 0 406.502 0.948 20 0 HCADRO CN(CCOc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638732 1080727525 /nfs/dbraw/zinc/72/75/25/1080727525.db2.gz IBSXXOKJOXFKKE-QGZVFWFLSA-N 1 0 406.502 0.948 20 0 HCADRO CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1CC(F)F ZINC000672638749 1080727121 /nfs/dbraw/zinc/72/71/21/1080727121.db2.gz VKHAYJALEPGZPT-CVEARBPZSA-N 1 0 415.529 0.459 20 0 HCADRO CC[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1CC(F)F ZINC000672638750 1080727180 /nfs/dbraw/zinc/72/71/80/1080727180.db2.gz VKHAYJALEPGZPT-HOTGVXAUSA-N 1 0 415.529 0.459 20 0 HCADRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1CC(F)F ZINC000672638751 1080727646 /nfs/dbraw/zinc/72/76/46/1080727646.db2.gz VKHAYJALEPGZPT-HZPDHXFCSA-N 1 0 415.529 0.459 20 0 HCADRO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1CC(F)F ZINC000672638752 1080727422 /nfs/dbraw/zinc/72/74/22/1080727422.db2.gz VKHAYJALEPGZPT-JKSUJKDBSA-N 1 0 415.529 0.459 20 0 HCADRO COc1ccc(CN(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000672638760 1080728255 /nfs/dbraw/zinc/72/82/55/1080728255.db2.gz IGTNSHBIQRRFTE-KRWDZBQOSA-N 1 0 418.538 0.947 20 0 HCADRO COc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000672638761 1080728980 /nfs/dbraw/zinc/72/89/80/1080728980.db2.gz IGTNSHBIQRRFTE-QGZVFWFLSA-N 1 0 418.538 0.947 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000672638784 1080728218 /nfs/dbraw/zinc/72/82/18/1080728218.db2.gz WFZAFNCPBMNNHK-FQEVSTJZSA-N 1 0 413.566 0.616 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000672638785 1080729098 /nfs/dbraw/zinc/72/90/98/1080729098.db2.gz WFZAFNCPBMNNHK-HXUWFJFHSA-N 1 0 413.566 0.616 20 0 HCADRO COc1ccc(CN(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000672638857 1080725813 /nfs/dbraw/zinc/72/58/13/1080725813.db2.gz ZIJASQAGCORKSO-KRWDZBQOSA-N 1 0 418.538 0.947 20 0 HCADRO COc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000672638858 1080726186 /nfs/dbraw/zinc/72/61/86/1080726186.db2.gz ZIJASQAGCORKSO-QGZVFWFLSA-N 1 0 418.538 0.947 20 0 HCADRO COc1ccc([C@@H](CO)N(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000672638943 1080727362 /nfs/dbraw/zinc/72/73/62/1080727362.db2.gz WLCSAJVIEFTBAU-FXAWDEMLSA-N 1 0 418.538 0.472 20 0 HCADRO COc1ccc([C@H](CO)N(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000672638944 1080727309 /nfs/dbraw/zinc/72/73/09/1080727309.db2.gz WLCSAJVIEFTBAU-PXNSSMCTSA-N 1 0 418.538 0.472 20 0 HCADRO COc1ccc([C@H](CO)N(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000672638945 1080727058 /nfs/dbraw/zinc/72/70/58/1080727058.db2.gz WLCSAJVIEFTBAU-XLIONFOSSA-N 1 0 418.538 0.472 20 0 HCADRO COc1ccc([C@@H](CO)N(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000672638946 1080727234 /nfs/dbraw/zinc/72/72/34/1080727234.db2.gz WLCSAJVIEFTBAU-YLJYHZDGSA-N 1 0 418.538 0.472 20 0 HCADRO Cc1nnc([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)[nH]1 ZINC000672638967 1080727283 /nfs/dbraw/zinc/72/72/83/1080727283.db2.gz WZSZIEMYIDDNHM-CVEARBPZSA-N 1 0 403.531 0.104 20 0 HCADRO Cc1nnc([C@H]2CCCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)[nH]1 ZINC000672638968 1080727496 /nfs/dbraw/zinc/72/74/96/1080727496.db2.gz WZSZIEMYIDDNHM-HOTGVXAUSA-N 1 0 403.531 0.104 20 0 HCADRO Cc1nnc([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)[nH]1 ZINC000672638969 1080726914 /nfs/dbraw/zinc/72/69/14/1080726914.db2.gz WZSZIEMYIDDNHM-HZPDHXFCSA-N 1 0 403.531 0.104 20 0 HCADRO Cc1nnc([C@H]2CCCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)[nH]1 ZINC000672638970 1080726949 /nfs/dbraw/zinc/72/69/49/1080726949.db2.gz WZSZIEMYIDDNHM-JKSUJKDBSA-N 1 0 403.531 0.104 20 0 HCADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639004 1080724902 /nfs/dbraw/zinc/72/49/02/1080724902.db2.gz XIVGCDGPJHMAKV-AEFFLSMTSA-N 1 0 402.543 0.975 20 0 HCADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639005 1080724080 /nfs/dbraw/zinc/72/40/80/1080724080.db2.gz XIVGCDGPJHMAKV-FUHWJXTLSA-N 1 0 402.543 0.975 20 0 HCADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639006 1080724200 /nfs/dbraw/zinc/72/42/00/1080724200.db2.gz XIVGCDGPJHMAKV-SJLPKXTDSA-N 1 0 402.543 0.975 20 0 HCADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639007 1080725059 /nfs/dbraw/zinc/72/50/59/1080725059.db2.gz XIVGCDGPJHMAKV-WMZOPIPTSA-N 1 0 402.543 0.975 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)CC1 ZINC000672639010 1080724605 /nfs/dbraw/zinc/72/46/05/1080724605.db2.gz XMKVMGTVMGLTFP-DLBZAZTESA-N 1 0 400.527 0.061 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)CC1 ZINC000672639011 1080724157 /nfs/dbraw/zinc/72/41/57/1080724157.db2.gz XMKVMGTVMGLTFP-IAGOWNOFSA-N 1 0 400.527 0.061 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)C2)CC1 ZINC000672639012 1080725549 /nfs/dbraw/zinc/72/55/49/1080725549.db2.gz XMKVMGTVMGLTFP-IRXDYDNUSA-N 1 0 400.527 0.061 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)C2)CC1 ZINC000672639013 1080726252 /nfs/dbraw/zinc/72/62/52/1080726252.db2.gz XMKVMGTVMGLTFP-SJORKVTESA-N 1 0 400.527 0.061 20 0 HCADRO CCc1ccc([C@@H](COC)NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000672639040 1080725926 /nfs/dbraw/zinc/72/59/26/1080725926.db2.gz XZKFYDQTNLJHSC-CRAIPNDOSA-N 1 0 406.527 0.930 20 0 HCADRO CCc1ccc([C@@H](COC)NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000672639041 1080726379 /nfs/dbraw/zinc/72/63/79/1080726379.db2.gz XZKFYDQTNLJHSC-MAUKXSAKSA-N 1 0 406.527 0.930 20 0 HCADRO CCc1ccc([C@H](COC)NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000672639042 1080725990 /nfs/dbraw/zinc/72/59/90/1080725990.db2.gz XZKFYDQTNLJHSC-QAPCUYQASA-N 1 0 406.527 0.930 20 0 HCADRO CCc1ccc([C@H](COC)NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000672639043 1080725675 /nfs/dbraw/zinc/72/56/75/1080725675.db2.gz XZKFYDQTNLJHSC-YJBOKZPZSA-N 1 0 406.527 0.930 20 0 HCADRO COc1ccc(OCCN(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000672639056 1080726119 /nfs/dbraw/zinc/72/61/19/1080726119.db2.gz YEKLSUYYUPWRAF-KRWDZBQOSA-N 1 0 418.538 0.817 20 0 HCADRO COc1ccc(OCCN(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000672639057 1080725470 /nfs/dbraw/zinc/72/54/70/1080725470.db2.gz YEKLSUYYUPWRAF-QGZVFWFLSA-N 1 0 418.538 0.817 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](Cc4ccccc4)C3)C2)CC1 ZINC000672639072 1080725872 /nfs/dbraw/zinc/72/58/72/1080725872.db2.gz YOJSTEQEIRJQHM-CTNGQTDRSA-N 1 0 414.550 0.741 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](Cc4ccccc4)C3)C2)CC1 ZINC000672639073 1080726299 /nfs/dbraw/zinc/72/62/99/1080726299.db2.gz YOJSTEQEIRJQHM-FPOVZHCZSA-N 1 0 414.550 0.741 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@H](Cc4ccccc4)C3)C2)CC1 ZINC000672639074 1080726519 /nfs/dbraw/zinc/72/65/19/1080726519.db2.gz YOJSTEQEIRJQHM-PZJWPPBQSA-N 1 0 414.550 0.741 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](Cc4ccccc4)C3)C2)CC1 ZINC000672639075 1080725727 /nfs/dbraw/zinc/72/57/27/1080725727.db2.gz YOJSTEQEIRJQHM-TZIWHRDSSA-N 1 0 414.550 0.741 20 0 HCADRO CCCCn1cc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000672639125 1080726450 /nfs/dbraw/zinc/72/64/50/1080726450.db2.gz ZOUAXIXQPQTGFK-GOSISDBHSA-N 1 0 404.559 0.893 20 0 HCADRO CCCCn1cc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000672639126 1080726069 /nfs/dbraw/zinc/72/60/69/1080726069.db2.gz ZOUAXIXQPQTGFK-SFHVURJKSA-N 1 0 404.559 0.893 20 0 HCADRO CCN(CC)C(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639167 1080724948 /nfs/dbraw/zinc/72/49/48/1080724948.db2.gz JFOLUABRPODBIP-GOSISDBHSA-N 1 0 421.586 0.378 20 0 HCADRO CCN(CC)C(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639168 1080724531 /nfs/dbraw/zinc/72/45/31/1080724531.db2.gz JFOLUABRPODBIP-SFHVURJKSA-N 1 0 421.586 0.378 20 0 HCADRO COc1cc(CN(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000672639220 1080724010 /nfs/dbraw/zinc/72/40/10/1080724010.db2.gz JHUYEYMTZYZQJU-KRWDZBQOSA-N 1 0 418.538 0.947 20 0 HCADRO COc1cc(CN(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000672639222 1080725097 /nfs/dbraw/zinc/72/50/97/1080725097.db2.gz JHUYEYMTZYZQJU-QGZVFWFLSA-N 1 0 418.538 0.947 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4cccs4)CC3)C2)CC1 ZINC000672639260 1080724989 /nfs/dbraw/zinc/72/49/89/1080724989.db2.gz KGMALOKKSKIFKD-KRWDZBQOSA-N 1 0 419.595 0.677 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4cccs4)CC3)C2)CC1 ZINC000672639261 1080724471 /nfs/dbraw/zinc/72/44/71/1080724471.db2.gz KGMALOKKSKIFKD-QGZVFWFLSA-N 1 0 419.595 0.677 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4ccsc4)C3)C2)CC1 ZINC000672639297 1080722712 /nfs/dbraw/zinc/72/27/12/1080722712.db2.gz AEHVHLXHWUJXTN-AEFFLSMTSA-N 1 0 406.552 0.933 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4ccsc4)C3)C2)CC1 ZINC000672639300 1080722964 /nfs/dbraw/zinc/72/29/64/1080722964.db2.gz AEHVHLXHWUJXTN-FUHWJXTLSA-N 1 0 406.552 0.933 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4ccsc4)C3)C2)CC1 ZINC000672639301 1080723314 /nfs/dbraw/zinc/72/33/14/1080723314.db2.gz AEHVHLXHWUJXTN-SJLPKXTDSA-N 1 0 406.552 0.933 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4ccsc4)C3)C2)CC1 ZINC000672639302 1080723017 /nfs/dbraw/zinc/72/30/17/1080723017.db2.gz AEHVHLXHWUJXTN-WMZOPIPTSA-N 1 0 406.552 0.933 20 0 HCADRO Cc1ccc2c(c1)nc(CNC(=O)C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)n2C ZINC000672639339 1080723247 /nfs/dbraw/zinc/72/32/47/1080723247.db2.gz KYNGKDXWCJTYOZ-INIZCTEOSA-N 1 0 412.538 0.783 20 0 HCADRO Cc1ccc2c(c1)nc(CNC(=O)C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)n2C ZINC000672639350 1080723584 /nfs/dbraw/zinc/72/35/84/1080723584.db2.gz KYNGKDXWCJTYOZ-MRXNPFEDSA-N 1 0 412.538 0.783 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)C2)CC1 ZINC000672639391 1080724342 /nfs/dbraw/zinc/72/43/42/1080724342.db2.gz BYHSTGNSLCYNSH-GDBMZVCRSA-N 1 0 420.476 0.841 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)C2)CC1 ZINC000672639393 1080724721 /nfs/dbraw/zinc/72/47/21/1080724721.db2.gz BYHSTGNSLCYNSH-GOEBONIOSA-N 1 0 420.476 0.841 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H](OCC(F)(F)F)C3)C2)CC1 ZINC000672639394 1080724854 /nfs/dbraw/zinc/72/48/54/1080724854.db2.gz BYHSTGNSLCYNSH-HOCLYGCPSA-N 1 0 420.476 0.841 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](OCC(F)(F)F)C3)C2)CC1 ZINC000672639396 1080724277 /nfs/dbraw/zinc/72/42/77/1080724277.db2.gz BYHSTGNSLCYNSH-ZBFHGGJFSA-N 1 0 420.476 0.841 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H](CCCO)c3ccccc3)C2)CC1 ZINC000672639399 1080724643 /nfs/dbraw/zinc/72/46/43/1080724643.db2.gz LGTOYNYAJPUJEA-AZUAARDMSA-N 1 0 402.539 0.901 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H](CCCO)c3ccccc3)C2)CC1 ZINC000672639402 1080725013 /nfs/dbraw/zinc/72/50/13/1080725013.db2.gz LGTOYNYAJPUJEA-ICSRJNTNSA-N 1 0 402.539 0.901 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H](CCCO)c3ccccc3)C2)CC1 ZINC000672639403 1080724400 /nfs/dbraw/zinc/72/44/00/1080724400.db2.gz LGTOYNYAJPUJEA-QUCCMNQESA-N 1 0 402.539 0.901 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H](CCCO)c3ccccc3)C2)CC1 ZINC000672639406 1080724792 /nfs/dbraw/zinc/72/47/92/1080724792.db2.gz LGTOYNYAJPUJEA-UYAOXDASSA-N 1 0 402.539 0.901 20 0 HCADRO COCCCN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639450 1080722786 /nfs/dbraw/zinc/72/27/86/1080722786.db2.gz MKAHMVKSSZQKRD-IBGZPJMESA-N 1 0 417.554 0.731 20 0 HCADRO COCCCN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639451 1080723515 /nfs/dbraw/zinc/72/35/15/1080723515.db2.gz MKAHMVKSSZQKRD-LJQANCHMSA-N 1 0 417.554 0.731 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639464 1080723383 /nfs/dbraw/zinc/72/33/83/1080723383.db2.gz NKKBHGOOTDPIBP-DLBZAZTESA-N 1 0 424.611 0.832 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639465 1080722914 /nfs/dbraw/zinc/72/29/14/1080722914.db2.gz NKKBHGOOTDPIBP-IAGOWNOFSA-N 1 0 424.611 0.832 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639466 1080722659 /nfs/dbraw/zinc/72/26/59/1080722659.db2.gz NKKBHGOOTDPIBP-IRXDYDNUSA-N 1 0 424.611 0.832 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639467 1080723100 /nfs/dbraw/zinc/72/31/00/1080723100.db2.gz NKKBHGOOTDPIBP-SJORKVTESA-N 1 0 424.611 0.832 20 0 HCADRO Cn1nc(CCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000672639511 1080722430 /nfs/dbraw/zinc/72/24/30/1080722430.db2.gz OZXQUAVYRLWILU-INIZCTEOSA-N 1 0 412.538 0.517 20 0 HCADRO Cn1nc(CCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000672639512 1080722835 /nfs/dbraw/zinc/72/28/35/1080722835.db2.gz OZXQUAVYRLWILU-MRXNPFEDSA-N 1 0 412.538 0.517 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N(CCO)CCc3ccccc3)C2)CC1 ZINC000672639566 1080722516 /nfs/dbraw/zinc/72/25/16/1080722516.db2.gz QSDVIAFTOYDYIU-IBGZPJMESA-N 1 0 402.539 0.335 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N(CCO)CCc3ccccc3)C2)CC1 ZINC000672639574 1080734421 /nfs/dbraw/zinc/73/44/21/1080734421.db2.gz QSDVIAFTOYDYIU-LJQANCHMSA-N 1 0 402.539 0.335 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639672 1080734028 /nfs/dbraw/zinc/73/40/28/1080734028.db2.gz DWSUGHJTYMRMSX-DOTOQJQBSA-N 1 0 406.502 0.994 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639673 1080734954 /nfs/dbraw/zinc/73/49/54/1080734954.db2.gz DWSUGHJTYMRMSX-NVXWUHKLSA-N 1 0 406.502 0.994 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639675 1080734223 /nfs/dbraw/zinc/73/42/23/1080734223.db2.gz DWSUGHJTYMRMSX-RDJZCZTQSA-N 1 0 406.502 0.994 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCOc4cccc(F)c4C3)C2)CC1 ZINC000672639676 1080733944 /nfs/dbraw/zinc/73/39/44/1080733944.db2.gz MZZSYPAQWHOJOO-HNNXBMFYSA-N 1 0 404.486 0.831 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639677 1080734479 /nfs/dbraw/zinc/73/44/79/1080734479.db2.gz DWSUGHJTYMRMSX-WBVHZDCISA-N 1 0 406.502 0.994 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCOc4cccc(F)c4C3)C2)CC1 ZINC000672639680 1080734619 /nfs/dbraw/zinc/73/46/19/1080734619.db2.gz MZZSYPAQWHOJOO-OAHLLOKOSA-N 1 0 404.486 0.831 20 0 HCADRO CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639724 1080732328 /nfs/dbraw/zinc/73/23/28/1080732328.db2.gz FRVFWPFHPURMBM-KRWDZBQOSA-N 1 0 407.559 0.036 20 0 HCADRO CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639725 1080733025 /nfs/dbraw/zinc/73/30/25/1080733025.db2.gz FRVFWPFHPURMBM-QGZVFWFLSA-N 1 0 407.559 0.036 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Oc1cccc(F)c1 ZINC000672639735 1080733301 /nfs/dbraw/zinc/73/33/01/1080733301.db2.gz FVSIIMPHHGULOB-DOTOQJQBSA-N 1 0 406.502 0.994 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Oc1cccc(F)c1 ZINC000672639736 1080732950 /nfs/dbraw/zinc/73/29/50/1080732950.db2.gz FVSIIMPHHGULOB-NVXWUHKLSA-N 1 0 406.502 0.994 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Oc1cccc(F)c1 ZINC000672639737 1080732507 /nfs/dbraw/zinc/73/25/07/1080732507.db2.gz FVSIIMPHHGULOB-RDJZCZTQSA-N 1 0 406.502 0.994 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Oc1cccc(F)c1 ZINC000672639738 1080733128 /nfs/dbraw/zinc/73/31/28/1080733128.db2.gz FVSIIMPHHGULOB-WBVHZDCISA-N 1 0 406.502 0.994 20 0 HCADRO Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000672639850 1080732908 /nfs/dbraw/zinc/73/29/08/1080732908.db2.gz SCNULAGHFGQIHR-AEFFLSMTSA-N 1 0 404.511 0.773 20 0 HCADRO Cc1ccc([C@H]2COCCN2C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000672639851 1080732595 /nfs/dbraw/zinc/73/25/95/1080732595.db2.gz SCNULAGHFGQIHR-FUHWJXTLSA-N 1 0 404.511 0.773 20 0 HCADRO Cc1ccc([C@H]2COCCN2C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000672639852 1080732798 /nfs/dbraw/zinc/73/27/98/1080732798.db2.gz SCNULAGHFGQIHR-SJLPKXTDSA-N 1 0 404.511 0.773 20 0 HCADRO Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000672639853 1080733195 /nfs/dbraw/zinc/73/31/95/1080733195.db2.gz SCNULAGHFGQIHR-WMZOPIPTSA-N 1 0 404.511 0.773 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](C(F)(F)F)O1 ZINC000672639944 1080732845 /nfs/dbraw/zinc/73/28/45/1080732845.db2.gz UTTXXMFVICFCHC-IPYPFGDCSA-N 1 0 406.449 0.449 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](C(F)(F)F)O1 ZINC000672639952 1080732746 /nfs/dbraw/zinc/73/27/46/1080732746.db2.gz UTTXXMFVICFCHC-NFAWXSAZSA-N 1 0 406.449 0.449 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C(F)(F)F)O1 ZINC000672639954 1080733259 /nfs/dbraw/zinc/73/32/59/1080733259.db2.gz UTTXXMFVICFCHC-UMVBOHGHSA-N 1 0 406.449 0.449 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C(F)(F)F)O1 ZINC000672639956 1080732684 /nfs/dbraw/zinc/73/26/84/1080732684.db2.gz UTTXXMFVICFCHC-VNHYZAJKSA-N 1 0 406.449 0.449 20 0 HCADRO Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639987 1080732419 /nfs/dbraw/zinc/73/24/19/1080732419.db2.gz QVBUCHIZWHPNCN-IBGZPJMESA-N 1 0 413.566 0.928 20 0 HCADRO Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639988 1080733071 /nfs/dbraw/zinc/73/30/71/1080733071.db2.gz QVBUCHIZWHPNCN-LJQANCHMSA-N 1 0 413.566 0.928 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000672640047 1080731448 /nfs/dbraw/zinc/73/14/48/1080731448.db2.gz HBGCVHUDADQGEG-IBGZPJMESA-N 1 0 414.554 0.011 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000672640048 1080731208 /nfs/dbraw/zinc/73/12/08/1080731208.db2.gz HBGCVHUDADQGEG-LJQANCHMSA-N 1 0 414.554 0.011 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@]4(C3)OCc3ccccc34)C2)CC1 ZINC000672640096 1080731606 /nfs/dbraw/zinc/73/16/06/1080731606.db2.gz VAQWTNARBWOQMW-FDDCHVKYSA-N 1 0 412.534 0.929 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@]4(C3)OCc3ccccc34)C2)CC1 ZINC000672640097 1080730982 /nfs/dbraw/zinc/73/09/82/1080730982.db2.gz VAQWTNARBWOQMW-JPYJTQIMSA-N 1 0 412.534 0.929 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@]4(C3)OCc3ccccc34)C2)CC1 ZINC000672640098 1080731779 /nfs/dbraw/zinc/73/17/79/1080731779.db2.gz VAQWTNARBWOQMW-MBSDFSHPSA-N 1 0 412.534 0.929 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@]4(C3)OCc3ccccc34)C2)CC1 ZINC000672640099 1080731302 /nfs/dbraw/zinc/73/13/02/1080731302.db2.gz VAQWTNARBWOQMW-WZONZLPQSA-N 1 0 412.534 0.929 20 0 HCADRO COc1ccccc1CN(CCO)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640171 1080729749 /nfs/dbraw/zinc/72/97/49/1080729749.db2.gz SHUBFVKUVNQVLP-GOSISDBHSA-N 1 0 418.538 0.301 20 0 HCADRO COc1ccccc1CN(CCO)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640174 1080730169 /nfs/dbraw/zinc/73/01/69/1080730169.db2.gz SHUBFVKUVNQVLP-SFHVURJKSA-N 1 0 418.538 0.301 20 0 HCADRO CN(CCOc1ccccc1F)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640175 1080729564 /nfs/dbraw/zinc/72/95/64/1080729564.db2.gz SNEOJHSOGVUYBT-INIZCTEOSA-N 1 0 406.502 0.948 20 0 HCADRO CN(CCOc1ccccc1F)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640176 1080729864 /nfs/dbraw/zinc/72/98/64/1080729864.db2.gz SNEOJHSOGVUYBT-MRXNPFEDSA-N 1 0 406.502 0.948 20 0 HCADRO Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)n[nH]1 ZINC000672640195 1080729687 /nfs/dbraw/zinc/72/96/87/1080729687.db2.gz TYXBFLAAJIPTDB-KRWDZBQOSA-N 1 0 417.558 0.088 20 0 HCADRO Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)n[nH]1 ZINC000672640197 1080730239 /nfs/dbraw/zinc/73/02/39/1080730239.db2.gz TYXBFLAAJIPTDB-QGZVFWFLSA-N 1 0 417.558 0.088 20 0 HCADRO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640219 1080730054 /nfs/dbraw/zinc/73/00/54/1080730054.db2.gz UEJJAEKTRMMRGL-APWZRJJASA-N 1 0 402.543 0.677 20 0 HCADRO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640222 1080730371 /nfs/dbraw/zinc/73/03/71/1080730371.db2.gz UEJJAEKTRMMRGL-LPHOPBHVSA-N 1 0 402.543 0.677 20 0 HCADRO Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640223 1080729997 /nfs/dbraw/zinc/72/99/97/1080729997.db2.gz UEJJAEKTRMMRGL-QFBILLFUSA-N 1 0 402.543 0.677 20 0 HCADRO Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640224 1080729620 /nfs/dbraw/zinc/72/96/20/1080729620.db2.gz UEJJAEKTRMMRGL-VQIMIIECSA-N 1 0 402.543 0.677 20 0 HCADRO CN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCCc2c1cnn2C ZINC000672640229 1080729936 /nfs/dbraw/zinc/72/99/36/1080729936.db2.gz XXYRDHXHVZIWEH-CRAIPNDOSA-N 1 0 402.543 0.541 20 0 HCADRO CN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCCc2c1cnn2C ZINC000672640233 1080731552 /nfs/dbraw/zinc/73/15/52/1080731552.db2.gz XXYRDHXHVZIWEH-MAUKXSAKSA-N 1 0 402.543 0.541 20 0 HCADRO CN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCc2c1cnn2C ZINC000672640237 1080731843 /nfs/dbraw/zinc/73/18/43/1080731843.db2.gz XXYRDHXHVZIWEH-QAPCUYQASA-N 1 0 402.543 0.541 20 0 HCADRO CN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCc2c1cnn2C ZINC000672640239 1080731513 /nfs/dbraw/zinc/73/15/13/1080731513.db2.gz XXYRDHXHVZIWEH-YJBOKZPZSA-N 1 0 402.543 0.541 20 0 HCADRO COc1ccc2c(c1)CN(C(=O)C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000672640282 1080731952 /nfs/dbraw/zinc/73/19/52/1080731952.db2.gz VDGIHCCNFBOCRV-GOSISDBHSA-N 1 0 400.523 0.865 20 0 HCADRO COc1ccc2c(c1)CN(C(=O)C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000672640288 1080732011 /nfs/dbraw/zinc/73/20/11/1080732011.db2.gz VDGIHCCNFBOCRV-SFHVURJKSA-N 1 0 400.523 0.865 20 0 HCADRO CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640289 1080731123 /nfs/dbraw/zinc/73/11/23/1080731123.db2.gz VIKZYNNYJLJODR-AEFFLSMTSA-N 1 0 416.522 0.570 20 0 HCADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640291 1080731896 /nfs/dbraw/zinc/73/18/96/1080731896.db2.gz VIKZYNNYJLJODR-FUHWJXTLSA-N 1 0 416.522 0.570 20 0 HCADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640294 1080731049 /nfs/dbraw/zinc/73/10/49/1080731049.db2.gz VIKZYNNYJLJODR-SJLPKXTDSA-N 1 0 416.522 0.570 20 0 HCADRO CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640296 1080728795 /nfs/dbraw/zinc/72/87/95/1080728795.db2.gz VIKZYNNYJLJODR-WMZOPIPTSA-N 1 0 416.522 0.570 20 0 HCADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H]1n1ccnc1 ZINC000672640316 1080728895 /nfs/dbraw/zinc/72/88/95/1080728895.db2.gz AFPQZNIBXLQMQK-AOIWGVFYSA-N 1 0 402.543 0.577 20 0 HCADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H]1n1ccnc1 ZINC000672640317 1080728380 /nfs/dbraw/zinc/72/83/80/1080728380.db2.gz AFPQZNIBXLQMQK-LMMKCTJWSA-N 1 0 402.543 0.577 20 0 HCADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1n1ccnc1 ZINC000672640318 1080728696 /nfs/dbraw/zinc/72/86/96/1080728696.db2.gz AFPQZNIBXLQMQK-ZHALLVOQSA-N 1 0 402.543 0.577 20 0 HCADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1n1ccnc1 ZINC000672640319 1080728183 /nfs/dbraw/zinc/72/81/83/1080728183.db2.gz AFPQZNIBXLQMQK-ZIFCJYIRSA-N 1 0 402.543 0.577 20 0 HCADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672640350 1080728735 /nfs/dbraw/zinc/72/87/35/1080728735.db2.gz BMMIPIVKMFPTPY-AEFFLSMTSA-N 1 0 420.583 0.321 20 0 HCADRO Cn1cc([C@H]2CSCCN2C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672640351 1080728109 /nfs/dbraw/zinc/72/81/09/1080728109.db2.gz BMMIPIVKMFPTPY-FUHWJXTLSA-N 1 0 420.583 0.321 20 0 HCADRO Cn1cc([C@H]2CSCCN2C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672640352 1080728465 /nfs/dbraw/zinc/72/84/65/1080728465.db2.gz BMMIPIVKMFPTPY-SJLPKXTDSA-N 1 0 420.583 0.321 20 0 HCADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672640353 1080728925 /nfs/dbraw/zinc/72/89/25/1080728925.db2.gz BMMIPIVKMFPTPY-WMZOPIPTSA-N 1 0 420.583 0.321 20 0 HCADRO CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000672640384 1080728326 /nfs/dbraw/zinc/72/83/26/1080728326.db2.gz ZPZCFVCHBZCQGK-MSOLQXFVSA-N 1 0 416.570 0.722 20 0 HCADRO CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000672640389 1080728549 /nfs/dbraw/zinc/72/85/49/1080728549.db2.gz ZPZCFVCHBZCQGK-QZTJIDSGSA-N 1 0 416.570 0.722 20 0 HCADRO CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000672640391 1080729810 /nfs/dbraw/zinc/72/98/10/1080729810.db2.gz ZPZCFVCHBZCQGK-ROUUACIJSA-N 1 0 416.570 0.722 20 0 HCADRO CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000672640392 1080729430 /nfs/dbraw/zinc/72/94/30/1080729430.db2.gz ZPZCFVCHBZCQGK-ZWKOTPCHSA-N 1 0 416.570 0.722 20 0 HCADRO COc1cc(CCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C ZINC000672640415 1080730102 /nfs/dbraw/zinc/73/01/02/1080730102.db2.gz DJUNYWYCRBWTSR-GOSISDBHSA-N 1 0 402.539 0.947 20 0 HCADRO COc1cc(CCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C ZINC000672640416 1080730445 /nfs/dbraw/zinc/73/04/45/1080730445.db2.gz DJUNYWYCRBWTSR-SFHVURJKSA-N 1 0 402.539 0.947 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4cccs4)C3)C2)CC1 ZINC000672640438 1080729493 /nfs/dbraw/zinc/72/94/93/1080729493.db2.gz IURQVNJVEDITJY-DOTOQJQBSA-N 1 0 406.552 0.933 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4cccs4)C3)C2)CC1 ZINC000672640439 1080730289 /nfs/dbraw/zinc/73/02/89/1080730289.db2.gz IURQVNJVEDITJY-NVXWUHKLSA-N 1 0 406.552 0.933 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4cccs4)C3)C2)CC1 ZINC000672640440 1080730512 /nfs/dbraw/zinc/73/05/12/1080730512.db2.gz IURQVNJVEDITJY-RDJZCZTQSA-N 1 0 406.552 0.933 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4cccs4)C3)C2)CC1 ZINC000672640441 1080729042 /nfs/dbraw/zinc/72/90/42/1080729042.db2.gz IURQVNJVEDITJY-WBVHZDCISA-N 1 0 406.552 0.933 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCOC[C@@H]3c3ccccc3)C2)CC1 ZINC000672640574 1080734352 /nfs/dbraw/zinc/73/43/52/1080734352.db2.gz XSWIXROWYWLSMZ-AZUAARDMSA-N 1 0 400.523 0.871 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCOC[C@H]3c3ccccc3)C2)CC1 ZINC000672640575 1080734843 /nfs/dbraw/zinc/73/48/43/1080734843.db2.gz XSWIXROWYWLSMZ-ICSRJNTNSA-N 1 0 400.523 0.871 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCOC[C@H]3c3ccccc3)C2)CC1 ZINC000672640577 1080733881 /nfs/dbraw/zinc/73/38/81/1080733881.db2.gz XSWIXROWYWLSMZ-QUCCMNQESA-N 1 0 400.523 0.871 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCOC[C@@H]3c3ccccc3)C2)CC1 ZINC000672640578 1080734920 /nfs/dbraw/zinc/73/49/20/1080734920.db2.gz XSWIXROWYWLSMZ-UYAOXDASSA-N 1 0 400.523 0.871 20 0 HCADRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1c(C)nn(C)c1C ZINC000672640617 1080738289 /nfs/dbraw/zinc/73/82/89/1080738289.db2.gz YRHVQDLICJDMIS-AEFFLSMTSA-N 1 0 404.559 0.889 20 0 HCADRO CC[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1c(C)nn(C)c1C ZINC000672640618 1080738611 /nfs/dbraw/zinc/73/86/11/1080738611.db2.gz YRHVQDLICJDMIS-FUHWJXTLSA-N 1 0 404.559 0.889 20 0 HCADRO CC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1c(C)nn(C)c1C ZINC000672640619 1080738079 /nfs/dbraw/zinc/73/80/79/1080738079.db2.gz YRHVQDLICJDMIS-SJLPKXTDSA-N 1 0 404.559 0.889 20 0 HCADRO CC[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1c(C)nn(C)c1C ZINC000672640620 1080738648 /nfs/dbraw/zinc/73/86/48/1080738648.db2.gz YRHVQDLICJDMIS-WMZOPIPTSA-N 1 0 404.559 0.889 20 0 HCADRO CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640683 1080738338 /nfs/dbraw/zinc/73/83/38/1080738338.db2.gz GIRNUANYVKBKBT-MSOLQXFVSA-N 1 0 421.586 0.282 20 0 HCADRO CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640684 1080738242 /nfs/dbraw/zinc/73/82/42/1080738242.db2.gz GIRNUANYVKBKBT-QZTJIDSGSA-N 1 0 421.586 0.282 20 0 HCADRO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640685 1080738804 /nfs/dbraw/zinc/73/88/04/1080738804.db2.gz GIRNUANYVKBKBT-ROUUACIJSA-N 1 0 421.586 0.282 20 0 HCADRO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640686 1080738684 /nfs/dbraw/zinc/73/86/84/1080738684.db2.gz GIRNUANYVKBKBT-ZWKOTPCHSA-N 1 0 421.586 0.282 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC(Oc4cnccn4)CC3)C2)CC1 ZINC000672640755 1080738186 /nfs/dbraw/zinc/73/81/86/1080738186.db2.gz ZEXKWXYAIZVLGE-INIZCTEOSA-N 1 0 416.526 0.131 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC(Oc4cnccn4)CC3)C2)CC1 ZINC000672640756 1080737923 /nfs/dbraw/zinc/73/79/23/1080737923.db2.gz ZEXKWXYAIZVLGE-MRXNPFEDSA-N 1 0 416.526 0.131 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3ncnn3-c3ccccc3)C2)CC1 ZINC000672640775 1080738843 /nfs/dbraw/zinc/73/88/43/1080738843.db2.gz ZQXXLUVYMNFMDQ-INIZCTEOSA-N 1 0 411.510 0.168 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3ncnn3-c3ccccc3)C2)CC1 ZINC000672640776 1080738761 /nfs/dbraw/zinc/73/87/61/1080738761.db2.gz ZQXXLUVYMNFMDQ-MRXNPFEDSA-N 1 0 411.510 0.168 20 0 HCADRO COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640852 1080738725 /nfs/dbraw/zinc/73/87/25/1080738725.db2.gz CMKJOUJNUYWVNU-DLBZAZTESA-N 1 0 406.527 0.628 20 0 HCADRO COCC[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640853 1080737837 /nfs/dbraw/zinc/73/78/37/1080737837.db2.gz CMKJOUJNUYWVNU-IAGOWNOFSA-N 1 0 406.527 0.628 20 0 HCADRO COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640855 1080738561 /nfs/dbraw/zinc/73/85/61/1080738561.db2.gz CMKJOUJNUYWVNU-IRXDYDNUSA-N 1 0 406.527 0.628 20 0 HCADRO COCC[C@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640857 1080738449 /nfs/dbraw/zinc/73/84/49/1080738449.db2.gz CMKJOUJNUYWVNU-SJORKVTESA-N 1 0 406.527 0.628 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000672640940 1080737555 /nfs/dbraw/zinc/73/75/55/1080737555.db2.gz MMADGXYTSJBJSK-AEFFLSMTSA-N 1 0 404.559 0.561 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000672640943 1080737316 /nfs/dbraw/zinc/73/73/16/1080737316.db2.gz MMADGXYTSJBJSK-FUHWJXTLSA-N 1 0 404.559 0.561 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000672640945 1080736875 /nfs/dbraw/zinc/73/68/75/1080736875.db2.gz MMADGXYTSJBJSK-SJLPKXTDSA-N 1 0 404.559 0.561 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000672640946 1080737039 /nfs/dbraw/zinc/73/70/39/1080737039.db2.gz MMADGXYTSJBJSK-WMZOPIPTSA-N 1 0 404.559 0.561 20 0 HCADRO COCCN(Cc1cccnc1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640950 1080737175 /nfs/dbraw/zinc/73/71/75/1080737175.db2.gz MMVSEEHLYKOURR-GOSISDBHSA-N 1 0 403.527 0.341 20 0 HCADRO COCCN(Cc1cccnc1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640951 1080736818 /nfs/dbraw/zinc/73/68/18/1080736818.db2.gz MMVSEEHLYKOURR-SFHVURJKSA-N 1 0 403.527 0.341 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(F)cn4)CC3)C2)CC1 ZINC000672641005 1080738399 /nfs/dbraw/zinc/73/83/99/1080738399.db2.gz JMMSKFFXJGTRPE-KRWDZBQOSA-N 1 0 418.517 0.154 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(F)cn4)CC3)C2)CC1 ZINC000672641006 1080737996 /nfs/dbraw/zinc/73/79/96/1080737996.db2.gz JMMSKFFXJGTRPE-QGZVFWFLSA-N 1 0 418.517 0.154 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N(CCO)[C@@H]3CCc4ccccc43)C2)CC1 ZINC000672641023 1080738132 /nfs/dbraw/zinc/73/81/32/1080738132.db2.gz KCFHRMMWZLECGU-GHTZIAJQSA-N 1 0 414.550 0.780 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N(CCO)[C@H]3CCc4ccccc43)C2)CC1 ZINC000672641024 1080738504 /nfs/dbraw/zinc/73/85/04/1080738504.db2.gz KCFHRMMWZLECGU-NQIIRXRSSA-N 1 0 414.550 0.780 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N(CCO)[C@H]3CCc4ccccc43)C2)CC1 ZINC000672641025 1080736680 /nfs/dbraw/zinc/73/66/80/1080736680.db2.gz KCFHRMMWZLECGU-RXVVDRJESA-N 1 0 414.550 0.780 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N(CCO)[C@@H]3CCc4ccccc43)C2)CC1 ZINC000672641026 1080736933 /nfs/dbraw/zinc/73/69/33/1080736933.db2.gz KCFHRMMWZLECGU-WIYYLYMNSA-N 1 0 414.550 0.780 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCOC4(CCOCC4)CC3)C2)CC1 ZINC000672641128 1080736767 /nfs/dbraw/zinc/73/67/67/1080736767.db2.gz NGSLPRZBSQMDIO-KRWDZBQOSA-N 1 0 408.543 0.069 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCOC4(CCOCC4)CC3)C2)CC1 ZINC000672641130 1080737234 /nfs/dbraw/zinc/73/72/34/1080737234.db2.gz NGSLPRZBSQMDIO-QGZVFWFLSA-N 1 0 408.543 0.069 20 0 HCADRO Cc1csc(N2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672641215 1080735292 /nfs/dbraw/zinc/73/52/92/1080735292.db2.gz NPCXCMVFDWJTBH-INIZCTEOSA-N 1 0 420.583 0.385 20 0 HCADRO Cc1csc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672641216 1080735630 /nfs/dbraw/zinc/73/56/30/1080735630.db2.gz NPCXCMVFDWJTBH-MRXNPFEDSA-N 1 0 420.583 0.385 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000672641243 1080735357 /nfs/dbraw/zinc/73/53/57/1080735357.db2.gz OPNAIEMDQAHJKG-AWEZNQCLSA-N 1 0 416.448 0.346 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000672641244 1080735423 /nfs/dbraw/zinc/73/54/23/1080735423.db2.gz OPNAIEMDQAHJKG-CQSZACIVSA-N 1 0 416.448 0.346 20 0 HCADRO CN(CCN(C)c1ccccc1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641250 1080737083 /nfs/dbraw/zinc/73/70/83/1080737083.db2.gz ODZPYEACPMKZOZ-GOSISDBHSA-N 1 0 401.555 0.866 20 0 HCADRO CN(CCN(C)c1ccccc1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641254 1080737461 /nfs/dbraw/zinc/73/74/61/1080737461.db2.gz ODZPYEACPMKZOZ-SFHVURJKSA-N 1 0 401.555 0.866 20 0 HCADRO Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641291 1080737502 /nfs/dbraw/zinc/73/75/02/1080737502.db2.gz OPUNIZGCQXYKLV-KRWDZBQOSA-N 1 0 404.559 0.370 20 0 HCADRO Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641292 1080737389 /nfs/dbraw/zinc/73/73/89/1080737389.db2.gz OPUNIZGCQXYKLV-QGZVFWFLSA-N 1 0 404.559 0.370 20 0 HCADRO COCCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641303 1080737005 /nfs/dbraw/zinc/73/70/05/1080737005.db2.gz OWVWPXJEELWMGL-FQEVSTJZSA-N 1 0 416.566 0.989 20 0 HCADRO COCCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641304 1080736901 /nfs/dbraw/zinc/73/69/01/1080736901.db2.gz OWVWPXJEELWMGL-HXUWFJFHSA-N 1 0 416.566 0.989 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCSC4(CCOCC4)C3)C2)CC1 ZINC000672641321 1080736227 /nfs/dbraw/zinc/73/62/27/1080736227.db2.gz PWEIRKHCLUVQAC-INIZCTEOSA-N 1 0 410.584 0.396 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCSC4(CCOCC4)C3)C2)CC1 ZINC000672641322 1080736343 /nfs/dbraw/zinc/73/63/43/1080736343.db2.gz PWEIRKHCLUVQAC-MRXNPFEDSA-N 1 0 410.584 0.396 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4[C@H]3CO)C2)CC1 ZINC000672641324 1080735980 /nfs/dbraw/zinc/73/59/80/1080735980.db2.gz PHYMFJZNKNLDSY-FXAWDEMLSA-N 1 0 400.523 0.389 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4[C@@H]3CO)C2)CC1 ZINC000672641327 1080735500 /nfs/dbraw/zinc/73/55/00/1080735500.db2.gz PHYMFJZNKNLDSY-PXNSSMCTSA-N 1 0 400.523 0.389 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCc4ccccc4[C@@H]3CO)C2)CC1 ZINC000672641329 1080735560 /nfs/dbraw/zinc/73/55/60/1080735560.db2.gz PHYMFJZNKNLDSY-XLIONFOSSA-N 1 0 400.523 0.389 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCc4ccccc4[C@H]3CO)C2)CC1 ZINC000672641330 1080735696 /nfs/dbraw/zinc/73/56/96/1080735696.db2.gz PHYMFJZNKNLDSY-YLJYHZDGSA-N 1 0 400.523 0.389 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC2(CCOCC2)O1 ZINC000672641345 1080736159 /nfs/dbraw/zinc/73/61/59/1080736159.db2.gz PMLRRUUADXKHDS-DLBZAZTESA-N 1 0 408.543 0.068 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC2(CCOCC2)O1 ZINC000672641347 1080735760 /nfs/dbraw/zinc/73/57/60/1080735760.db2.gz PMLRRUUADXKHDS-IAGOWNOFSA-N 1 0 408.543 0.068 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC2(CCOCC2)O1 ZINC000672641349 1080735466 /nfs/dbraw/zinc/73/54/66/1080735466.db2.gz PMLRRUUADXKHDS-IRXDYDNUSA-N 1 0 408.543 0.068 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC2(CCOCC2)O1 ZINC000672641351 1080736036 /nfs/dbraw/zinc/73/60/36/1080736036.db2.gz PMLRRUUADXKHDS-SJORKVTESA-N 1 0 408.543 0.068 20 0 HCADRO COCCN(Cc1ccc(C)o1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641531 1080734141 /nfs/dbraw/zinc/73/41/41/1080734141.db2.gz RDWXTGCDRPLBNK-KRWDZBQOSA-N 1 0 406.527 0.848 20 0 HCADRO COCCN(Cc1ccc(C)o1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641532 1080733650 /nfs/dbraw/zinc/73/36/50/1080733650.db2.gz RDWXTGCDRPLBNK-QGZVFWFLSA-N 1 0 406.527 0.848 20 0 HCADRO CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641544 1080736095 /nfs/dbraw/zinc/73/60/95/1080736095.db2.gz RFPKFLWIUCMUON-INIZCTEOSA-N 1 0 402.495 0.658 20 0 HCADRO CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641546 1080735830 /nfs/dbraw/zinc/73/58/30/1080735830.db2.gz RFPKFLWIUCMUON-MRXNPFEDSA-N 1 0 402.495 0.658 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Oc1ccccc1F ZINC000672641633 1080742150 /nfs/dbraw/zinc/74/21/50/1080742150.db2.gz VCCBPZZQLKQKJH-CVEARBPZSA-N 1 0 406.502 0.994 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Oc1ccccc1F ZINC000672641634 1080742226 /nfs/dbraw/zinc/74/22/26/1080742226.db2.gz VCCBPZZQLKQKJH-HOTGVXAUSA-N 1 0 406.502 0.994 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Oc1ccccc1F ZINC000672641635 1080741621 /nfs/dbraw/zinc/74/16/21/1080741621.db2.gz VCCBPZZQLKQKJH-HZPDHXFCSA-N 1 0 406.502 0.994 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Oc1ccccc1F ZINC000672641636 1080741899 /nfs/dbraw/zinc/74/18/99/1080741899.db2.gz VCCBPZZQLKQKJH-JKSUJKDBSA-N 1 0 406.502 0.994 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCCN(CC(F)(F)F)CC3)C2)CC1 ZINC000672641664 1080741824 /nfs/dbraw/zinc/74/18/24/1080741824.db2.gz RSLIYYIOIMRLTH-HNNXBMFYSA-N 1 0 419.492 0.368 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCCN(CC(F)(F)F)CC3)C2)CC1 ZINC000672641665 1080741983 /nfs/dbraw/zinc/74/19/83/1080741983.db2.gz RSLIYYIOIMRLTH-OAHLLOKOSA-N 1 0 419.492 0.368 20 0 HCADRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@]2(CCOC2)O1 ZINC000672641695 1080742306 /nfs/dbraw/zinc/74/23/06/1080742306.db2.gz WPHLCLGJPSGSFN-BLIXFSHQSA-N 1 0 408.543 0.068 20 0 HCADRO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@]2(CCOC2)O1 ZINC000672641696 1080742503 /nfs/dbraw/zinc/74/25/03/1080742503.db2.gz WPHLCLGJPSGSFN-CDXJDZJCSA-N 1 0 408.543 0.068 20 0 HCADRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@]2(CCOC2)O1 ZINC000672641697 1080743281 /nfs/dbraw/zinc/74/32/81/1080743281.db2.gz WPHLCLGJPSGSFN-HGHGUNKESA-N 1 0 408.543 0.068 20 0 HCADRO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@]2(CCOC2)O1 ZINC000672641700 1080743533 /nfs/dbraw/zinc/74/35/33/1080743533.db2.gz WPHLCLGJPSGSFN-YRISNDGFSA-N 1 0 408.543 0.068 20 0 HCADRO CCN(CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)CCC(F)(F)F ZINC000672641765 1080740705 /nfs/dbraw/zinc/74/07/05/1080740705.db2.gz XCZILJSIVIDTKQ-HNNXBMFYSA-N 1 0 421.508 0.662 20 0 HCADRO CCN(CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)CCC(F)(F)F ZINC000672641766 1080740461 /nfs/dbraw/zinc/74/04/61/1080740461.db2.gz XCZILJSIVIDTKQ-OAHLLOKOSA-N 1 0 421.508 0.662 20 0 HCADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641791 1080740561 /nfs/dbraw/zinc/74/05/61/1080740561.db2.gz UBQYZOIEUJQJNJ-PBHICJAKSA-N 1 0 404.559 0.369 20 0 HCADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641794 1080741703 /nfs/dbraw/zinc/74/17/03/1080741703.db2.gz UBQYZOIEUJQJNJ-RHSMWYFYSA-N 1 0 404.559 0.369 20 0 HCADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641795 1080742032 /nfs/dbraw/zinc/74/20/32/1080742032.db2.gz UBQYZOIEUJQJNJ-WMLDXEAASA-N 1 0 404.559 0.369 20 0 HCADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641796 1080742386 /nfs/dbraw/zinc/74/23/86/1080742386.db2.gz UBQYZOIEUJQJNJ-YOEHRIQHSA-N 1 0 404.559 0.369 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4cccc(O)c4)CC3)C2)CC1 ZINC000672641869 1080742441 /nfs/dbraw/zinc/74/24/41/1080742441.db2.gz YUCWXNXXEGPFKY-KRWDZBQOSA-N 1 0 415.538 0.326 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccc(O)c4)CC3)C2)CC1 ZINC000672641870 1080742554 /nfs/dbraw/zinc/74/25/54/1080742554.db2.gz YUCWXNXXEGPFKY-QGZVFWFLSA-N 1 0 415.538 0.326 20 0 HCADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641970 1080740665 /nfs/dbraw/zinc/74/06/65/1080740665.db2.gz UXEARVOLZKUWBK-GOSISDBHSA-N 1 0 423.602 0.088 20 0 HCADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641971 1080740849 /nfs/dbraw/zinc/74/08/49/1080740849.db2.gz UXEARVOLZKUWBK-SFHVURJKSA-N 1 0 423.602 0.088 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ncccc4F)CC3)C2)CC1 ZINC000672641972 1080740966 /nfs/dbraw/zinc/74/09/66/1080740966.db2.gz VBJFPPMRIZAUEZ-INIZCTEOSA-N 1 0 418.517 0.154 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4F)CC3)C2)CC1 ZINC000672641973 1080740818 /nfs/dbraw/zinc/74/08/18/1080740818.db2.gz VBJFPPMRIZAUEZ-MRXNPFEDSA-N 1 0 418.517 0.154 20 0 HCADRO C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642004 1080740379 /nfs/dbraw/zinc/74/03/79/1080740379.db2.gz VTOZLKSYZVBENZ-HKUYNNGSSA-N 1 0 402.539 0.681 20 0 HCADRO C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642005 1080740923 /nfs/dbraw/zinc/74/09/23/1080740923.db2.gz VTOZLKSYZVBENZ-IEBWSBKVSA-N 1 0 402.539 0.681 20 0 HCADRO C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642006 1080741117 /nfs/dbraw/zinc/74/11/17/1080741117.db2.gz VTOZLKSYZVBENZ-MJGOQNOKSA-N 1 0 402.539 0.681 20 0 HCADRO C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642007 1080740754 /nfs/dbraw/zinc/74/07/54/1080740754.db2.gz VTOZLKSYZVBENZ-PKOBYXMFSA-N 1 0 402.539 0.681 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](Oc4ccncc4)C3)C2)CC1 ZINC000672642027 1080741078 /nfs/dbraw/zinc/74/10/78/1080741078.db2.gz WJVGIACTWVPSGE-QFBILLFUSA-N 1 0 401.511 0.346 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](Oc4ccncc4)C3)C2)CC1 ZINC000672642028 1080740628 /nfs/dbraw/zinc/74/06/28/1080740628.db2.gz WJVGIACTWVPSGE-VQIMIIECSA-N 1 0 401.511 0.346 20 0 HCADRO Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000672642132 1080740799 /nfs/dbraw/zinc/74/07/99/1080740799.db2.gz YNECREFZVOATOW-GOSISDBHSA-N 1 0 414.554 0.323 20 0 HCADRO Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000672642133 1080741184 /nfs/dbraw/zinc/74/11/84/1080741184.db2.gz YNECREFZVOATOW-SFHVURJKSA-N 1 0 414.554 0.323 20 0 HCADRO CC(C)c1ncc(CN(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672642181 1080741014 /nfs/dbraw/zinc/74/10/14/1080741014.db2.gz YSQVDWQEORHPNV-KRWDZBQOSA-N 1 0 402.543 0.843 20 0 HCADRO CC(C)c1ncc(CN(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672642182 1080740882 /nfs/dbraw/zinc/74/08/82/1080740882.db2.gz YSQVDWQEORHPNV-QGZVFWFLSA-N 1 0 402.543 0.843 20 0 HCADRO COc1c(C)cnc(CN(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000672642335 1080740528 /nfs/dbraw/zinc/74/05/28/1080740528.db2.gz GVQVDCXVXTXLBW-KRWDZBQOSA-N 1 0 417.554 0.950 20 0 HCADRO COc1c(C)cnc(CN(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000672642336 1080740783 /nfs/dbraw/zinc/74/07/83/1080740783.db2.gz GVQVDCXVXTXLBW-QGZVFWFLSA-N 1 0 417.554 0.950 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)C2)CC1 ZINC000672642368 1080739405 /nfs/dbraw/zinc/73/94/05/1080739405.db2.gz IEYZPNYSTNUMLZ-MSOLQXFVSA-N 1 0 419.570 0.178 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)C2)CC1 ZINC000672642369 1080739702 /nfs/dbraw/zinc/73/97/02/1080739702.db2.gz IEYZPNYSTNUMLZ-QZTJIDSGSA-N 1 0 419.570 0.178 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)C2)CC1 ZINC000672642370 1080739769 /nfs/dbraw/zinc/73/97/69/1080739769.db2.gz IEYZPNYSTNUMLZ-ROUUACIJSA-N 1 0 419.570 0.178 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)C2)CC1 ZINC000672642371 1080739341 /nfs/dbraw/zinc/73/93/41/1080739341.db2.gz IEYZPNYSTNUMLZ-ZWKOTPCHSA-N 1 0 419.570 0.178 20 0 HCADRO CNC(=O)C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642375 1080739478 /nfs/dbraw/zinc/73/94/78/1080739478.db2.gz IOGVYYRFFYYIHB-HKUYNNGSSA-N 1 0 415.538 0.265 20 0 HCADRO CNC(=O)C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642376 1080739285 /nfs/dbraw/zinc/73/92/85/1080739285.db2.gz IOGVYYRFFYYIHB-IEBWSBKVSA-N 1 0 415.538 0.265 20 0 HCADRO CNC(=O)C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642377 1080739935 /nfs/dbraw/zinc/73/99/35/1080739935.db2.gz IOGVYYRFFYYIHB-MJGOQNOKSA-N 1 0 415.538 0.265 20 0 HCADRO CNC(=O)C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642378 1080739577 /nfs/dbraw/zinc/73/95/77/1080739577.db2.gz IOGVYYRFFYYIHB-PKOBYXMFSA-N 1 0 415.538 0.265 20 0 HCADRO CCc1nn(C)c(CC)c1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642492 1080739823 /nfs/dbraw/zinc/73/98/23/1080739823.db2.gz MFJAINWFCBYUIQ-HNNXBMFYSA-N 1 0 404.559 0.446 20 0 HCADRO CCc1nn(C)c(CC)c1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642493 1080739132 /nfs/dbraw/zinc/73/91/32/1080739132.db2.gz MFJAINWFCBYUIQ-OAHLLOKOSA-N 1 0 404.559 0.446 20 0 HCADRO COCCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642546 1080739523 /nfs/dbraw/zinc/73/95/23/1080739523.db2.gz NNQFESLBCLUKKB-IBGZPJMESA-N 1 0 402.539 0.946 20 0 HCADRO COCCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642547 1080739998 /nfs/dbraw/zinc/73/99/98/1080739998.db2.gz NNQFESLBCLUKKB-LJQANCHMSA-N 1 0 402.539 0.946 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccn4)CC3)C2)CC1 ZINC000672642548 1080739236 /nfs/dbraw/zinc/73/92/36/1080739236.db2.gz NOHUQYYVFHKPPY-KRWDZBQOSA-N 1 0 400.527 0.015 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccn4)CC3)C2)CC1 ZINC000672642549 1080739898 /nfs/dbraw/zinc/73/98/98/1080739898.db2.gz NOHUQYYVFHKPPY-QGZVFWFLSA-N 1 0 400.527 0.015 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@]2(CCCOC2)O1 ZINC000672642586 1080743006 /nfs/dbraw/zinc/74/30/06/1080743006.db2.gz OBWVSIQUNDTYNL-CBGDNZLLSA-N 1 0 408.543 0.068 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@]2(CCCOC2)O1 ZINC000672642587 1080743229 /nfs/dbraw/zinc/74/32/29/1080743229.db2.gz OBWVSIQUNDTYNL-LLGFUMIMSA-N 1 0 408.543 0.068 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@]2(CCCOC2)O1 ZINC000672642588 1080743094 /nfs/dbraw/zinc/74/30/94/1080743094.db2.gz OBWVSIQUNDTYNL-LZJOCLMNSA-N 1 0 408.543 0.068 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@]2(CCCOC2)O1 ZINC000672642589 1080743603 /nfs/dbraw/zinc/74/36/03/1080743603.db2.gz OBWVSIQUNDTYNL-WWMYMODYSA-N 1 0 408.543 0.068 20 0 HCADRO CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672642592 1080742960 /nfs/dbraw/zinc/74/29/60/1080742960.db2.gz OLDUVSKYORQPEJ-MSOLQXFVSA-N 1 0 421.586 0.426 20 0 HCADRO CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672642593 1080743472 /nfs/dbraw/zinc/74/34/72/1080743472.db2.gz OLDUVSKYORQPEJ-QZTJIDSGSA-N 1 0 421.586 0.426 20 0 HCADRO CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672642594 1080743177 /nfs/dbraw/zinc/74/31/77/1080743177.db2.gz OLDUVSKYORQPEJ-ROUUACIJSA-N 1 0 421.586 0.426 20 0 HCADRO CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672642595 1080743040 /nfs/dbraw/zinc/74/30/40/1080743040.db2.gz OLDUVSKYORQPEJ-ZWKOTPCHSA-N 1 0 421.586 0.426 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3nncn3-c3ccccc3)C2)CC1 ZINC000672642630 1080742919 /nfs/dbraw/zinc/74/29/19/1080742919.db2.gz QGJNNACHVURULP-INIZCTEOSA-N 1 0 411.510 0.168 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3nncn3-c3ccccc3)C2)CC1 ZINC000672642631 1080746166 /nfs/dbraw/zinc/74/61/66/1080746166.db2.gz QGJNNACHVURULP-MRXNPFEDSA-N 1 0 411.510 0.168 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCc3cnc(C4CC4)nc3)C2)CC1 ZINC000672642649 1080747366 /nfs/dbraw/zinc/74/73/66/1080747366.db2.gz RIDDNCGQSWLCOZ-KRWDZBQOSA-N 1 0 400.527 0.297 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCc3cnc(C4CC4)nc3)C2)CC1 ZINC000672642650 1080747428 /nfs/dbraw/zinc/74/74/28/1080747428.db2.gz RIDDNCGQSWLCOZ-QGZVFWFLSA-N 1 0 400.527 0.297 20 0 HCADRO C[C@H](O)C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642728 1080747095 /nfs/dbraw/zinc/74/70/95/1080747095.db2.gz FWYDHXNIJAXLMH-DFQSSKMNSA-N 1 0 416.566 0.942 20 0 HCADRO C[C@H](O)C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642729 1080747795 /nfs/dbraw/zinc/74/77/95/1080747795.db2.gz FWYDHXNIJAXLMH-IHPCNDPISA-N 1 0 416.566 0.942 20 0 HCADRO C[C@H](O)C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642730 1080747720 /nfs/dbraw/zinc/74/77/20/1080747720.db2.gz FWYDHXNIJAXLMH-SXLOBPIMSA-N 1 0 416.566 0.942 20 0 HCADRO C[C@H](O)C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642731 1080747146 /nfs/dbraw/zinc/74/71/46/1080747146.db2.gz FWYDHXNIJAXLMH-YSIASYRMSA-N 1 0 416.566 0.942 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4F)CC3)C2)CC1 ZINC000672642737 1080747612 /nfs/dbraw/zinc/74/76/12/1080747612.db2.gz GMBJOAAFXPNTLN-KRWDZBQOSA-N 1 0 417.529 0.759 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4F)CC3)C2)CC1 ZINC000672642738 1080746981 /nfs/dbraw/zinc/74/69/81/1080746981.db2.gz GMBJOAAFXPNTLN-QGZVFWFLSA-N 1 0 417.529 0.759 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4)C(=O)C3)C2)CC1 ZINC000672642739 1080747299 /nfs/dbraw/zinc/74/72/99/1080747299.db2.gz GRRQGGIUTHNKBU-KRWDZBQOSA-N 1 0 413.522 0.147 20 0 HCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4)C(=O)C3)C2)CC1 ZINC000672642740 1080747552 /nfs/dbraw/zinc/74/75/52/1080747552.db2.gz GRRQGGIUTHNKBU-QGZVFWFLSA-N 1 0 413.522 0.147 20 0 HCADRO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642751 1080747038 /nfs/dbraw/zinc/74/70/38/1080747038.db2.gz HCYNDPICKGTQNC-BEFAXECRSA-N 1 0 416.522 0.920 20 0 HCADRO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642752 1080747197 /nfs/dbraw/zinc/74/71/97/1080747197.db2.gz HCYNDPICKGTQNC-DNVCBOLYSA-N 1 0 416.522 0.920 20 0 HCADRO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642753 1080747504 /nfs/dbraw/zinc/74/75/04/1080747504.db2.gz HCYNDPICKGTQNC-HNAYVOBHSA-N 1 0 416.522 0.920 20 0 HCADRO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642754 1080747854 /nfs/dbraw/zinc/74/78/54/1080747854.db2.gz HCYNDPICKGTQNC-KXBFYZLASA-N 1 0 416.522 0.920 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)C2)CC1 ZINC000672642775 1080747667 /nfs/dbraw/zinc/74/76/67/1080747667.db2.gz IMSQWVVLQVEGSC-FTRWYGJKSA-N 1 0 410.584 0.442 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)C2)CC1 ZINC000672642776 1080747248 /nfs/dbraw/zinc/74/72/48/1080747248.db2.gz IMSQWVVLQVEGSC-GQIGUUNPSA-N 1 0 410.584 0.442 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)C2)CC1 ZINC000672642777 1080746515 /nfs/dbraw/zinc/74/65/15/1080746515.db2.gz IMSQWVVLQVEGSC-GUXCAODWSA-N 1 0 410.584 0.442 20 0 HCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)C2)CC1 ZINC000672642778 1080745534 /nfs/dbraw/zinc/74/55/34/1080745534.db2.gz IMSQWVVLQVEGSC-TWOQFEAHSA-N 1 0 410.584 0.442 20 0 HCADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)C[C@@H](C)O2 ZINC000672642780 1080746358 /nfs/dbraw/zinc/74/63/58/1080746358.db2.gz IOYAPFGGKQTWNZ-BZLDKRAPSA-N 1 0 408.543 0.066 20 0 HCADRO COc1cccc2c1OCC[C@H]2NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642859 1080746459 /nfs/dbraw/zinc/74/64/59/1080746459.db2.gz XEPPVJURGZFLNO-CRAIPNDOSA-N 1 0 416.522 0.920 20 0 HCADRO COc1cccc2c1OCC[C@H]2NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642860 1080745743 /nfs/dbraw/zinc/74/57/43/1080745743.db2.gz XEPPVJURGZFLNO-MAUKXSAKSA-N 1 0 416.522 0.920 20 0 HCADRO COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642861 1080746403 /nfs/dbraw/zinc/74/64/03/1080746403.db2.gz XEPPVJURGZFLNO-QAPCUYQASA-N 1 0 416.522 0.920 20 0 HCADRO COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642862 1080745967 /nfs/dbraw/zinc/74/59/67/1080745967.db2.gz XEPPVJURGZFLNO-YJBOKZPZSA-N 1 0 416.522 0.920 20 0 HCADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)C[C@@H](C)O2 ZINC000672642881 1080746022 /nfs/dbraw/zinc/74/60/22/1080746022.db2.gz IOYAPFGGKQTWNZ-KYFSNAEOSA-N 1 0 408.543 0.066 20 0 HCADRO C[C@H]1OCC[C@]12CN(C(=O)C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)C[C@@H](C)O2 ZINC000672642882 1080746566 /nfs/dbraw/zinc/74/65/66/1080746566.db2.gz IOYAPFGGKQTWNZ-LHUKNYEISA-N 1 0 408.543 0.066 20 0 HCADRO 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CNS(=O)(=O)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000672666301 1080754147 /nfs/dbraw/zinc/75/41/47/1080754147.db2.gz PVSHLVNDYYHRMD-MQVJKMGUSA-N 1 0 423.539 0.800 20 0 HCADRO COc1cccc([C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)[NH+](C)C)c1 ZINC000672675878 1080756740 /nfs/dbraw/zinc/75/67/40/1080756740.db2.gz OTBMELJBTPGYFK-CEXWTWQISA-N 1 0 405.495 0.821 20 0 HCADRO COc1cccc([C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)[NH+](C)C)c1 ZINC000672675879 1080756899 /nfs/dbraw/zinc/75/68/99/1080756899.db2.gz OTBMELJBTPGYFK-GBESFXJTSA-N 1 0 405.495 0.821 20 0 HCADRO CN(C)C(=O)CN1CCN(C(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CC1 ZINC000672684128 1080756486 /nfs/dbraw/zinc/75/64/86/1080756486.db2.gz UXAOJOCQWNWDLF-UHFFFAOYSA-N 1 0 412.538 0.958 20 0 HCADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)C(F)(F)F ZINC000672687566 1080757815 /nfs/dbraw/zinc/75/78/15/1080757815.db2.gz XJJQETLDNHMLOB-LLVKDONJSA-N 1 0 400.427 0.389 20 0 HCADRO CN(C)S(=O)(=O)C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)C(F)(F)F ZINC000672687567 1080757915 /nfs/dbraw/zinc/75/79/15/1080757915.db2.gz XJJQETLDNHMLOB-NSHDSACASA-N 1 0 400.427 0.389 20 0 HCADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000672687669 1080758510 /nfs/dbraw/zinc/75/85/10/1080758510.db2.gz OAFMWKIQRDTLQS-JLTOFOAXSA-N 1 0 416.482 0.832 20 0 HCADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000672687674 1080758439 /nfs/dbraw/zinc/75/84/39/1080758439.db2.gz OAFMWKIQRDTLQS-VBKZILBWSA-N 1 0 416.482 0.832 20 0 HCADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000672687676 1080758290 /nfs/dbraw/zinc/75/82/90/1080758290.db2.gz OAFMWKIQRDTLQS-VLIAUNLRSA-N 1 0 416.482 0.832 20 0 HCADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000672687677 1080758540 /nfs/dbraw/zinc/75/85/40/1080758540.db2.gz OAFMWKIQRDTLQS-XOBRGWDASA-N 1 0 416.482 0.832 20 0 HCADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000672687687 1080758487 /nfs/dbraw/zinc/75/84/87/1080758487.db2.gz OURKZAWDYXOJFL-UHFFFAOYSA-N 1 0 402.455 0.489 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000672689931 1080758828 /nfs/dbraw/zinc/75/88/28/1080758828.db2.gz JOCTWPAIILKMSI-IBGZPJMESA-N 1 0 421.586 0.380 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000672689932 1080759299 /nfs/dbraw/zinc/75/92/99/1080759299.db2.gz JOCTWPAIILKMSI-LJQANCHMSA-N 1 0 421.586 0.380 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000672690455 1080758781 /nfs/dbraw/zinc/75/87/81/1080758781.db2.gz VPUFGKKXBSRTQW-MOPGFXCFSA-N 1 0 416.570 0.699 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000672690457 1080758964 /nfs/dbraw/zinc/75/89/64/1080758964.db2.gz VPUFGKKXBSRTQW-OALUTQOASA-N 1 0 416.570 0.699 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000672690458 1080758751 /nfs/dbraw/zinc/75/87/51/1080758751.db2.gz VPUFGKKXBSRTQW-RBUKOAKNSA-N 1 0 416.570 0.699 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000672690459 1080758934 /nfs/dbraw/zinc/75/89/34/1080758934.db2.gz VPUFGKKXBSRTQW-RTBURBONSA-N 1 0 416.570 0.699 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000672690962 1080759368 /nfs/dbraw/zinc/75/93/68/1080759368.db2.gz LHMQZFVYYKZJOD-AEFFLSMTSA-N 1 0 401.511 0.679 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000672690963 1080759429 /nfs/dbraw/zinc/75/94/29/1080759429.db2.gz LHMQZFVYYKZJOD-FUHWJXTLSA-N 1 0 401.511 0.679 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000672690964 1080759484 /nfs/dbraw/zinc/75/94/84/1080759484.db2.gz LHMQZFVYYKZJOD-SJLPKXTDSA-N 1 0 401.511 0.679 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000672690965 1080759272 /nfs/dbraw/zinc/75/92/72/1080759272.db2.gz LHMQZFVYYKZJOD-WMZOPIPTSA-N 1 0 401.511 0.679 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000672691180 1080759397 /nfs/dbraw/zinc/75/93/97/1080759397.db2.gz PNECWGSDKWNIKZ-GDBMZVCRSA-N 1 0 410.540 0.844 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000672691181 1080759248 /nfs/dbraw/zinc/75/92/48/1080759248.db2.gz PNECWGSDKWNIKZ-GOEBONIOSA-N 1 0 410.540 0.844 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000672691182 1080759381 /nfs/dbraw/zinc/75/93/81/1080759381.db2.gz PNECWGSDKWNIKZ-HOCLYGCPSA-N 1 0 410.540 0.844 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000672691183 1080759443 /nfs/dbraw/zinc/75/94/43/1080759443.db2.gz PNECWGSDKWNIKZ-ZBFHGGJFSA-N 1 0 410.540 0.844 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000672691465 1080759492 /nfs/dbraw/zinc/75/94/92/1080759492.db2.gz WIXGGGJKPQOLIW-INIZCTEOSA-N 1 0 420.514 0.056 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000672691466 1080759412 /nfs/dbraw/zinc/75/94/12/1080759412.db2.gz WIXGGGJKPQOLIW-MRXNPFEDSA-N 1 0 420.514 0.056 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000672692510 1080759905 /nfs/dbraw/zinc/75/99/05/1080759905.db2.gz CTAAZJUVADWFLL-GOSISDBHSA-N 1 0 421.586 0.570 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000672692511 1080759715 /nfs/dbraw/zinc/75/97/15/1080759715.db2.gz CTAAZJUVADWFLL-SFHVURJKSA-N 1 0 421.586 0.570 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000672692613 1080759923 /nfs/dbraw/zinc/75/99/23/1080759923.db2.gz GVISYAKTIQCTJQ-CVEARBPZSA-N 1 0 414.514 0.152 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000672692614 1080759867 /nfs/dbraw/zinc/75/98/67/1080759867.db2.gz GVISYAKTIQCTJQ-HOTGVXAUSA-N 1 0 414.514 0.152 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000672692615 1080759783 /nfs/dbraw/zinc/75/97/83/1080759783.db2.gz GVISYAKTIQCTJQ-HZPDHXFCSA-N 1 0 414.514 0.152 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000672692616 1080759851 /nfs/dbraw/zinc/75/98/51/1080759851.db2.gz GVISYAKTIQCTJQ-JKSUJKDBSA-N 1 0 414.514 0.152 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000672692929 1080760420 /nfs/dbraw/zinc/76/04/20/1080760420.db2.gz MOOFLFYFIYQJLN-CVEARBPZSA-N 1 0 404.515 0.018 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000672692930 1080760383 /nfs/dbraw/zinc/76/03/83/1080760383.db2.gz MOOFLFYFIYQJLN-HOTGVXAUSA-N 1 0 404.515 0.018 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000672692931 1080760565 /nfs/dbraw/zinc/76/05/65/1080760565.db2.gz MOOFLFYFIYQJLN-HZPDHXFCSA-N 1 0 404.515 0.018 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000672692932 1080760488 /nfs/dbraw/zinc/76/04/88/1080760488.db2.gz MOOFLFYFIYQJLN-JKSUJKDBSA-N 1 0 404.515 0.018 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000672692964 1080760461 /nfs/dbraw/zinc/76/04/61/1080760461.db2.gz NRKZCZWDSWPBOP-MOPGFXCFSA-N 1 0 421.586 0.522 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000672692965 1080760309 /nfs/dbraw/zinc/76/03/09/1080760309.db2.gz NRKZCZWDSWPBOP-OALUTQOASA-N 1 0 421.586 0.522 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000672692966 1080760439 /nfs/dbraw/zinc/76/04/39/1080760439.db2.gz NRKZCZWDSWPBOP-RBUKOAKNSA-N 1 0 421.586 0.522 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000672692967 1080760544 /nfs/dbraw/zinc/76/05/44/1080760544.db2.gz NRKZCZWDSWPBOP-RTBURBONSA-N 1 0 421.586 0.522 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000672693080 1080759742 /nfs/dbraw/zinc/75/97/42/1080759742.db2.gz PAUPSJDIJAMGQN-AWEZNQCLSA-N 1 0 408.528 0.706 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000672693086 1080760347 /nfs/dbraw/zinc/76/03/47/1080760347.db2.gz PAUPSJDIJAMGQN-CQSZACIVSA-N 1 0 408.528 0.706 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000672694478 1080756833 /nfs/dbraw/zinc/75/68/33/1080756833.db2.gz ZQSYGJZOZHEQCC-GOSISDBHSA-N 1 0 415.538 0.760 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000672694480 1080756804 /nfs/dbraw/zinc/75/68/04/1080756804.db2.gz ZQSYGJZOZHEQCC-SFHVURJKSA-N 1 0 415.538 0.760 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000672695182 1080757197 /nfs/dbraw/zinc/75/71/97/1080757197.db2.gz MDKPEIBIILACOU-IBGZPJMESA-N 1 0 421.586 0.524 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000672695183 1080757337 /nfs/dbraw/zinc/75/73/37/1080757337.db2.gz MDKPEIBIILACOU-LJQANCHMSA-N 1 0 421.586 0.524 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000672695669 1080757860 /nfs/dbraw/zinc/75/78/60/1080757860.db2.gz GVMUYMRMBQBDMG-INIZCTEOSA-N 1 0 407.490 0.664 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000672695672 1080757834 /nfs/dbraw/zinc/75/78/34/1080757834.db2.gz GVMUYMRMBQBDMG-MRXNPFEDSA-N 1 0 407.490 0.664 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000672695807 1080757432 /nfs/dbraw/zinc/75/74/32/1080757432.db2.gz IJRBBXVBQOTTGT-GOSISDBHSA-N 1 0 407.559 0.134 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000672695808 1080757300 /nfs/dbraw/zinc/75/73/00/1080757300.db2.gz IJRBBXVBQOTTGT-SFHVURJKSA-N 1 0 407.559 0.134 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000672695858 1080757470 /nfs/dbraw/zinc/75/74/70/1080757470.db2.gz JTADUKZGAVDDIO-MSOLQXFVSA-N 1 0 407.559 0.132 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000672695859 1080757272 /nfs/dbraw/zinc/75/72/72/1080757272.db2.gz JTADUKZGAVDDIO-QZTJIDSGSA-N 1 0 407.559 0.132 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000672695860 1080757755 /nfs/dbraw/zinc/75/77/55/1080757755.db2.gz JTADUKZGAVDDIO-ROUUACIJSA-N 1 0 407.559 0.132 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000672695861 1080757848 /nfs/dbraw/zinc/75/78/48/1080757848.db2.gz JTADUKZGAVDDIO-ZWKOTPCHSA-N 1 0 407.559 0.132 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000672695886 1080757902 /nfs/dbraw/zinc/75/79/02/1080757902.db2.gz LHMWVMXYXMNIMH-MSOLQXFVSA-N 1 0 421.586 0.569 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000672695887 1080757802 /nfs/dbraw/zinc/75/78/02/1080757802.db2.gz LHMWVMXYXMNIMH-QZTJIDSGSA-N 1 0 421.586 0.569 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000672695888 1080757890 /nfs/dbraw/zinc/75/78/90/1080757890.db2.gz LHMWVMXYXMNIMH-ROUUACIJSA-N 1 0 421.586 0.569 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000672695889 1080757736 /nfs/dbraw/zinc/75/77/36/1080757736.db2.gz LHMWVMXYXMNIMH-ZWKOTPCHSA-N 1 0 421.586 0.569 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000672696338 1080757355 /nfs/dbraw/zinc/75/73/55/1080757355.db2.gz VMSKRDITQHJFES-HNNXBMFYSA-N 1 0 414.514 0.003 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000672696340 1080757240 /nfs/dbraw/zinc/75/72/40/1080757240.db2.gz VMSKRDITQHJFES-OAHLLOKOSA-N 1 0 414.514 0.003 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000672697224 1080761576 /nfs/dbraw/zinc/76/15/76/1080761576.db2.gz PHDKCTGWFAJRGT-CVEARBPZSA-N 1 0 402.561 0.297 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000672697226 1080761462 /nfs/dbraw/zinc/76/14/62/1080761462.db2.gz PHDKCTGWFAJRGT-HOTGVXAUSA-N 1 0 402.561 0.297 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000672697230 1080761635 /nfs/dbraw/zinc/76/16/35/1080761635.db2.gz PHDKCTGWFAJRGT-HZPDHXFCSA-N 1 0 402.561 0.297 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000672697231 1080761350 /nfs/dbraw/zinc/76/13/50/1080761350.db2.gz PHDKCTGWFAJRGT-JKSUJKDBSA-N 1 0 402.561 0.297 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000672697326 1080761444 /nfs/dbraw/zinc/76/14/44/1080761444.db2.gz SDEBNVRYXWNUST-HKUYNNGSSA-N 1 0 416.522 0.903 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000672697335 1080761411 /nfs/dbraw/zinc/76/14/11/1080761411.db2.gz SDEBNVRYXWNUST-IEBWSBKVSA-N 1 0 416.522 0.903 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000672697337 1080761611 /nfs/dbraw/zinc/76/16/11/1080761611.db2.gz SDEBNVRYXWNUST-MJGOQNOKSA-N 1 0 416.522 0.903 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000672697339 1080761651 /nfs/dbraw/zinc/76/16/51/1080761651.db2.gz SDEBNVRYXWNUST-PKOBYXMFSA-N 1 0 416.522 0.903 20 0 HCADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@@H](CC)C[NH+]3CCCC3)CC2)n1 ZINC000672697515 1080761475 /nfs/dbraw/zinc/76/14/75/1080761475.db2.gz SHVPZBMIXIJDTC-KRWDZBQOSA-N 1 0 418.542 0.905 20 0 HCADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@H](CC)C[NH+]3CCCC3)CC2)n1 ZINC000672697519 1080761728 /nfs/dbraw/zinc/76/17/28/1080761728.db2.gz SHVPZBMIXIJDTC-QGZVFWFLSA-N 1 0 418.542 0.905 20 0 HCADRO CCOC1CC(CNC(=O)C(=O)N[C@H](CC)C[NH+]2CCCC2)(N2CCOCC2)C1 ZINC000672697783 1080762385 /nfs/dbraw/zinc/76/23/85/1080762385.db2.gz YHKABRJOQJIPRI-MPQSDHOMSA-N 1 0 410.559 0.363 20 0 HCADRO CCOC1CC(CNC(=O)C(=O)N[C@@H](CC)C[NH+]2CCCC2)(N2CCOCC2)C1 ZINC000672697784 1080762305 /nfs/dbraw/zinc/76/23/05/1080762305.db2.gz YHKABRJOQJIPRI-XPQZIERPSA-N 1 0 410.559 0.363 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000672698209 1080762233 /nfs/dbraw/zinc/76/22/33/1080762233.db2.gz MRAPZLHQNJIAQO-KRWDZBQOSA-N 1 0 422.551 0.833 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000672698210 1080762171 /nfs/dbraw/zinc/76/21/71/1080762171.db2.gz MRAPZLHQNJIAQO-QGZVFWFLSA-N 1 0 422.551 0.833 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000672698614 1080762036 /nfs/dbraw/zinc/76/20/36/1080762036.db2.gz HVZWUCDHGQYAJQ-AWEZNQCLSA-N 1 0 416.569 0.442 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000672698615 1080762288 /nfs/dbraw/zinc/76/22/88/1080762288.db2.gz HVZWUCDHGQYAJQ-CQSZACIVSA-N 1 0 416.569 0.442 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000672698756 1080761962 /nfs/dbraw/zinc/76/19/62/1080761962.db2.gz SPUPKICFNMVLLM-KRWDZBQOSA-N 1 0 424.567 0.722 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000672698758 1080762147 /nfs/dbraw/zinc/76/21/47/1080762147.db2.gz SPUPKICFNMVLLM-QGZVFWFLSA-N 1 0 424.567 0.722 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000672699106 1080761999 /nfs/dbraw/zinc/76/19/99/1080761999.db2.gz NMKMVMRARIYUAO-GOSISDBHSA-N 1 0 409.575 0.380 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000672699107 1080762251 /nfs/dbraw/zinc/76/22/51/1080762251.db2.gz NMKMVMRARIYUAO-SFHVURJKSA-N 1 0 409.575 0.380 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000672699196 1080762105 /nfs/dbraw/zinc/76/21/05/1080762105.db2.gz ZRJOUKABEDGYMR-HNNXBMFYSA-N 1 0 412.485 0.913 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000672699197 1080762402 /nfs/dbraw/zinc/76/24/02/1080762402.db2.gz ZRJOUKABEDGYMR-OAHLLOKOSA-N 1 0 412.485 0.913 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000672699776 1080762825 /nfs/dbraw/zinc/76/28/25/1080762825.db2.gz HFJRVMDRQUSUPU-KRWDZBQOSA-N 1 0 422.551 0.833 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000672699777 1080762648 /nfs/dbraw/zinc/76/26/48/1080762648.db2.gz HFJRVMDRQUSUPU-QGZVFWFLSA-N 1 0 422.551 0.833 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000672700042 1080762682 /nfs/dbraw/zinc/76/26/82/1080762682.db2.gz XNJOEVZAGYFSLJ-CVEARBPZSA-N 1 0 400.545 0.004 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000672700043 1080762809 /nfs/dbraw/zinc/76/28/09/1080762809.db2.gz XNJOEVZAGYFSLJ-HOTGVXAUSA-N 1 0 400.545 0.004 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000672700044 1080762782 /nfs/dbraw/zinc/76/27/82/1080762782.db2.gz XNJOEVZAGYFSLJ-HZPDHXFCSA-N 1 0 400.545 0.004 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000672700045 1080762719 /nfs/dbraw/zinc/76/27/19/1080762719.db2.gz XNJOEVZAGYFSLJ-JKSUJKDBSA-N 1 0 400.545 0.004 20 0 HCADRO CC1(C)CN(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000672706669 1080764011 /nfs/dbraw/zinc/76/40/11/1080764011.db2.gz JORCQIUDSPFTHX-UHFFFAOYSA-N 1 0 404.511 0.757 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000672708097 1080761543 /nfs/dbraw/zinc/76/15/43/1080761543.db2.gz BHLHHTWMMLLTMD-UHFFFAOYSA-N 1 0 401.511 0.998 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000672708258 1080760929 /nfs/dbraw/zinc/76/09/29/1080760929.db2.gz NJEMJNMOLZALHR-KRWDZBQOSA-N 1 0 423.583 0.775 20 0 HCADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C(F)(F)F ZINC000672708313 1080760849 /nfs/dbraw/zinc/76/08/49/1080760849.db2.gz SDECXRWHGIOGGW-GFCCVEGCSA-N 1 0 417.498 0.134 20 0 HCADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C(F)(F)F ZINC000672708314 1080761505 /nfs/dbraw/zinc/76/15/05/1080761505.db2.gz SDECXRWHGIOGGW-LBPRGKRZSA-N 1 0 417.498 0.134 20 0 HCADRO CN(C[C@@H]1CCCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000672708342 1080760889 /nfs/dbraw/zinc/76/08/89/1080760889.db2.gz VGTXOBWNYNHQEW-INIZCTEOSA-N 1 0 403.593 0.325 20 0 HCADRO CN(C[C@H]1CCCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000672708343 1080761028 /nfs/dbraw/zinc/76/10/28/1080761028.db2.gz VGTXOBWNYNHQEW-MRXNPFEDSA-N 1 0 403.593 0.325 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000672708378 1080761070 /nfs/dbraw/zinc/76/10/70/1080761070.db2.gz XXZOYMMNCDOVEK-INIZCTEOSA-N 1 0 415.604 0.516 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000672708379 1080760991 /nfs/dbraw/zinc/76/09/91/1080760991.db2.gz XXZOYMMNCDOVEK-MRXNPFEDSA-N 1 0 415.604 0.516 20 0 HCADRO CNS(=O)(=O)c1cccc2c1CCN(C(=O)NCC(C)(C)N1CC[NH+](C)CC1)C2 ZINC000672708463 1080761049 /nfs/dbraw/zinc/76/10/49/1080761049.db2.gz MBJHQBSZPFRCGB-UHFFFAOYSA-N 1 0 423.583 0.688 20 0 HCADRO CC1(C)CN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC[N@@H+]1CCO ZINC000672709432 1080761323 /nfs/dbraw/zinc/76/13/23/1080761323.db2.gz WAKFYMIOURFPMN-UHFFFAOYSA-N 1 0 418.947 0.716 20 0 HCADRO CC1(C)CN(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC[N@@H+]1CCO ZINC000672709516 1080761696 /nfs/dbraw/zinc/76/16/96/1080761696.db2.gz KPDBJKLDAKATLH-UHFFFAOYSA-N 1 0 409.531 0.729 20 0 HCADRO CCNC(=O)COc1ccc(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1OC ZINC000672712231 1080766437 /nfs/dbraw/zinc/76/64/37/1080766437.db2.gz KYWOYJGGDTZDKG-UHFFFAOYSA-N 1 0 422.526 0.808 20 0 HCADRO CN1CCN(C(=O)c2ccc(CNC(=O)N3CC[N@H+](CCO)C(C)(C)C3)cc2)CC1 ZINC000672712612 1080766371 /nfs/dbraw/zinc/76/63/71/1080766371.db2.gz SXQSVNQHZUFMOQ-UHFFFAOYSA-N 1 0 417.554 0.672 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 ZINC000672722270 1080764969 /nfs/dbraw/zinc/76/49/69/1080764969.db2.gz KXIOEZJGLANCQE-UHFFFAOYSA-N 1 0 419.504 0.205 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000672725417 1080769074 /nfs/dbraw/zinc/76/90/74/1080769074.db2.gz SSRHVJDLYFRYDM-MOPGFXCFSA-N 1 0 416.570 0.697 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000672725418 1080769094 /nfs/dbraw/zinc/76/90/94/1080769094.db2.gz SSRHVJDLYFRYDM-OALUTQOASA-N 1 0 416.570 0.697 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000672725419 1080769017 /nfs/dbraw/zinc/76/90/17/1080769017.db2.gz SSRHVJDLYFRYDM-RBUKOAKNSA-N 1 0 416.570 0.697 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000672725420 1080769124 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1080774724 /nfs/dbraw/zinc/77/47/24/1080774724.db2.gz NPEOCXSXGIFQJO-KRWDZBQOSA-N 1 0 401.511 0.919 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)nc12 ZINC000672764442 1080774813 /nfs/dbraw/zinc/77/48/13/1080774813.db2.gz NPEOCXSXGIFQJO-QGZVFWFLSA-N 1 0 401.511 0.919 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)nc12 ZINC000672764610 1080774835 /nfs/dbraw/zinc/77/48/35/1080774835.db2.gz ZDRQXHTUOMEBEP-UHFFFAOYSA-N 1 0 400.527 0.445 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)N(C)CCN(C)C3CC[NH+](C)CC3)nc12 ZINC000672764845 1080777608 /nfs/dbraw/zinc/77/76/08/1080777608.db2.gz VXVMWYZFOTUMJP-UHFFFAOYSA-N 1 0 414.554 0.786 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)nc12 ZINC000672764859 1080778455 /nfs/dbraw/zinc/77/84/55/1080778455.db2.gz XRQPWOFAPLRKEJ-UHFFFAOYSA-N 1 0 401.511 0.871 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)nc12 ZINC000672764949 1080778492 /nfs/dbraw/zinc/77/84/92/1080778492.db2.gz FJCNLLYQDGFDIO-UHFFFAOYSA-N 1 0 400.527 0.444 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000672765139 1080777797 /nfs/dbraw/zinc/77/77/97/1080777797.db2.gz VAOGFJJZLVHHCE-KRWDZBQOSA-N 1 0 414.554 0.691 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000672765140 1080777813 /nfs/dbraw/zinc/77/78/13/1080777813.db2.gz VAOGFJJZLVHHCE-QGZVFWFLSA-N 1 0 414.554 0.691 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)nc12 ZINC000672765144 1080777781 /nfs/dbraw/zinc/77/77/81/1080777781.db2.gz VHNGESXDCUCRSS-GOSISDBHSA-N 1 0 401.511 0.871 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)nc12 ZINC000672765145 1080777552 /nfs/dbraw/zinc/77/75/52/1080777552.db2.gz VHNGESXDCUCRSS-SFHVURJKSA-N 1 0 401.511 0.871 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)nc12 ZINC000672766527 1080778235 /nfs/dbraw/zinc/77/82/35/1080778235.db2.gz MLCMTOVIMJLTJX-GOSISDBHSA-N 1 0 401.511 0.774 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)nc12 ZINC000672766528 1080778355 /nfs/dbraw/zinc/77/83/55/1080778355.db2.gz MLCMTOVIMJLTJX-SFHVURJKSA-N 1 0 401.511 0.774 20 0 HCADRO CC1(C)CN(C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)CC[N@@H+]1CCO ZINC000672766930 1080779213 /nfs/dbraw/zinc/77/92/13/1080779213.db2.gz MWMLAJKABJQYIO-UHFFFAOYSA-N 1 0 404.511 0.757 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)nc12 ZINC000672767858 1080775495 /nfs/dbraw/zinc/77/54/95/1080775495.db2.gz IEBFKWGDEOCNJW-IBGZPJMESA-N 1 0 412.538 0.540 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)nc12 ZINC000672767859 1080775312 /nfs/dbraw/zinc/77/53/12/1080775312.db2.gz IEBFKWGDEOCNJW-LJQANCHMSA-N 1 0 412.538 0.540 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)nc12 ZINC000672767867 1080775533 /nfs/dbraw/zinc/77/55/33/1080775533.db2.gz JEWFAVOPFMKYCZ-GOSISDBHSA-N 1 0 412.538 0.586 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)nc12 ZINC000672767868 1080775268 /nfs/dbraw/zinc/77/52/68/1080775268.db2.gz JEWFAVOPFMKYCZ-SFHVURJKSA-N 1 0 412.538 0.586 20 0 HCADRO COCCC[NH+]1CCC(NC(=O)C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000672768044 1080774896 /nfs/dbraw/zinc/77/48/96/1080774896.db2.gz UEZSKCFYUDHEPY-UHFFFAOYSA-N 1 0 401.511 0.919 20 0 HCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000672768089 1080779125 /nfs/dbraw/zinc/77/91/25/1080779125.db2.gz OZYBYEDXLOEHGY-UHFFFAOYSA-N 1 0 414.554 0.835 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)nc12 ZINC000672768109 1080779159 /nfs/dbraw/zinc/77/91/59/1080779159.db2.gz QFCLGSAOZJNUGG-GOSISDBHSA-N 1 0 413.522 0.872 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nc12 ZINC000672768376 1080778911 /nfs/dbraw/zinc/77/89/11/1080778911.db2.gz ZXHXRSXQQRMGNY-CALCHBBNSA-N 1 0 401.511 0.917 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)nc12 ZINC000672768377 1080779095 /nfs/dbraw/zinc/77/90/95/1080779095.db2.gz ZXHXRSXQQRMGNY-IAGOWNOFSA-N 1 0 401.511 0.917 20 0 HCADRO Cc1cccn2cc(CCNC(=O)C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)nc12 ZINC000672768378 1080779023 /nfs/dbraw/zinc/77/90/23/1080779023.db2.gz ZXHXRSXQQRMGNY-IRXDYDNUSA-N 1 0 401.511 0.917 20 0 HCADRO CC1(C)CN(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC[N@@H+]1CCO ZINC000672768535 1080778963 /nfs/dbraw/zinc/77/89/63/1080778963.db2.gz VZCIZOMHVWBPLU-UHFFFAOYSA-N 1 0 420.554 0.996 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)ccc1F ZINC000672769847 1080776586 /nfs/dbraw/zinc/77/65/86/1080776586.db2.gz UFRJCGODYUJXIE-UHFFFAOYSA-N 1 0 401.508 0.881 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1F ZINC000672770083 1080775878 /nfs/dbraw/zinc/77/58/78/1080775878.db2.gz UIYOOFRSMBJAGL-CABCVRRESA-N 1 0 400.476 0.797 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1F ZINC000672770084 1080775852 /nfs/dbraw/zinc/77/58/52/1080775852.db2.gz UIYOOFRSMBJAGL-GJZGRUSLSA-N 1 0 400.476 0.797 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1F ZINC000672770085 1080776256 /nfs/dbraw/zinc/77/62/56/1080776256.db2.gz UIYOOFRSMBJAGL-HUUCEWRRSA-N 1 0 400.476 0.797 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1F ZINC000672770086 1080776397 /nfs/dbraw/zinc/77/63/97/1080776397.db2.gz UIYOOFRSMBJAGL-LSDHHAIUSA-N 1 0 400.476 0.797 20 0 HCADRO COC1CC[NH+](CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000672775515 1080781880 /nfs/dbraw/zinc/78/18/80/1080781880.db2.gz MVATYWZDPXYLSY-GFCCVEGCSA-N 1 0 404.455 0.219 20 0 HCADRO COC1CC[NH+](CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000672775516 1080781960 /nfs/dbraw/zinc/78/19/60/1080781960.db2.gz MVATYWZDPXYLSY-LBPRGKRZSA-N 1 0 404.455 0.219 20 0 HCADRO CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(F)(F)F ZINC000672775597 1080782069 /nfs/dbraw/zinc/78/20/69/1080782069.db2.gz BZDAHOFZMMKHBS-AGIUHOORSA-N 1 0 416.466 0.049 20 0 HCADRO CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(F)(F)F ZINC000672775598 1080781861 /nfs/dbraw/zinc/78/18/61/1080781861.db2.gz BZDAHOFZMMKHBS-AVGNSLFASA-N 1 0 416.466 0.049 20 0 HCADRO CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(F)(F)F ZINC000672775599 1080782016 /nfs/dbraw/zinc/78/20/16/1080782016.db2.gz BZDAHOFZMMKHBS-UPJWGTAASA-N 1 0 416.466 0.049 20 0 HCADRO CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(F)(F)F ZINC000672775600 1080782080 /nfs/dbraw/zinc/78/20/80/1080782080.db2.gz BZDAHOFZMMKHBS-XQQFMLRXSA-N 1 0 416.466 0.049 20 0 HCADRO O=c1cc(CN2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)nc2sccn21 ZINC000672780599 1080783002 /nfs/dbraw/zinc/78/30/02/1080783002.db2.gz LEUSHXFJZPMHQC-DLBZAZTESA-N 1 0 408.524 0.430 20 0 HCADRO O=c1cc(CN2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)nc2sccn21 ZINC000672780600 1080782904 /nfs/dbraw/zinc/78/29/04/1080782904.db2.gz LEUSHXFJZPMHQC-IAGOWNOFSA-N 1 0 408.524 0.430 20 0 HCADRO O=c1cc(CN2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)nc2sccn21 ZINC000672780601 1080782847 /nfs/dbraw/zinc/78/28/47/1080782847.db2.gz LEUSHXFJZPMHQC-IRXDYDNUSA-N 1 0 408.524 0.430 20 0 HCADRO O=c1cc(CN2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)nc2sccn21 ZINC000672780602 1080782890 /nfs/dbraw/zinc/78/28/90/1080782890.db2.gz LEUSHXFJZPMHQC-SJORKVTESA-N 1 0 408.524 0.430 20 0 HCADRO CC1(C)CN(C(=O)NCc2ccccc2OCCN2CCOCC2)CC[N@@H+]1CCO ZINC000672781308 1080782926 /nfs/dbraw/zinc/78/29/26/1080782926.db2.gz JYHUKDPRCAIXGZ-UHFFFAOYSA-N 1 0 420.554 0.996 20 0 HCADRO CC1(C)CN(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC[N@@H+]1CCO ZINC000672799800 1080784974 /nfs/dbraw/zinc/78/49/74/1080784974.db2.gz DJAFNNWUXPEMPL-UHFFFAOYSA-N 1 0 417.554 0.823 20 0 HCADRO CC1(C)CN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1CCO ZINC000672799926 1080785040 /nfs/dbraw/zinc/78/50/40/1080785040.db2.gz FBENRZLHXICCTK-UHFFFAOYSA-N 1 0 418.542 0.218 20 0 HCADRO CCCN(CC[NH+]1CCCCC1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000672803244 1080784672 /nfs/dbraw/zinc/78/46/72/1080784672.db2.gz GTBJKHSDHJAJEF-UHFFFAOYSA-N 1 0 403.593 0.471 20 0 HCADRO C[C@@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000672803279 1080787899 /nfs/dbraw/zinc/78/78/99/1080787899.db2.gz MUJLDFPBWLQPCD-AEFFLSMTSA-N 1 0 411.572 0.554 20 0 HCADRO C[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000672803280 1080787859 /nfs/dbraw/zinc/78/78/59/1080787859.db2.gz MUJLDFPBWLQPCD-FUHWJXTLSA-N 1 0 411.572 0.554 20 0 HCADRO C[C@@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000672803281 1080787993 /nfs/dbraw/zinc/78/79/93/1080787993.db2.gz MUJLDFPBWLQPCD-SJLPKXTDSA-N 1 0 411.572 0.554 20 0 HCADRO C[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000672803321 1080788366 /nfs/dbraw/zinc/78/83/66/1080788366.db2.gz MUJLDFPBWLQPCD-WMZOPIPTSA-N 1 0 411.572 0.554 20 0 HCADRO C[NH+](C)C[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000672803322 1080788470 /nfs/dbraw/zinc/78/84/70/1080788470.db2.gz MUPZISAVNBIIGP-KRWDZBQOSA-N 1 0 415.535 0.305 20 0 HCADRO C[NH+](C)C[C@@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000672803323 1080788652 /nfs/dbraw/zinc/78/86/52/1080788652.db2.gz MUPZISAVNBIIGP-QGZVFWFLSA-N 1 0 415.535 0.305 20 0 HCADRO C[C@H]1[C@@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000672803377 1080784885 /nfs/dbraw/zinc/78/48/85/1080784885.db2.gz UZFSIRZOZBGHQZ-HKUYNNGSSA-N 1 0 423.583 0.526 20 0 HCADRO C[C@@H]1[C@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000672803378 1080784756 /nfs/dbraw/zinc/78/47/56/1080784756.db2.gz UZFSIRZOZBGHQZ-IEBWSBKVSA-N 1 0 423.583 0.526 20 0 HCADRO C[C@@H]1[C@@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000672803379 1080785016 /nfs/dbraw/zinc/78/50/16/1080785016.db2.gz UZFSIRZOZBGHQZ-MJGOQNOKSA-N 1 0 423.583 0.526 20 0 HCADRO C[C@H]1[C@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000672803380 1080785334 /nfs/dbraw/zinc/78/53/34/1080785334.db2.gz UZFSIRZOZBGHQZ-PKOBYXMFSA-N 1 0 423.583 0.526 20 0 HCADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000672803386 1080785579 /nfs/dbraw/zinc/78/55/79/1080785579.db2.gz VRGLUJCROIHSCC-UHFFFAOYSA-N 1 0 409.556 0.089 20 0 HCADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000672803416 1080785280 /nfs/dbraw/zinc/78/52/80/1080785280.db2.gz ZMMKYYOYNBMJTA-CVEARBPZSA-N 1 0 415.560 0.585 20 0 HCADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000672803417 1080785493 /nfs/dbraw/zinc/78/54/93/1080785493.db2.gz ZMMKYYOYNBMJTA-HOTGVXAUSA-N 1 0 415.560 0.585 20 0 HCADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000672803418 1080785388 /nfs/dbraw/zinc/78/53/88/1080785388.db2.gz ZMMKYYOYNBMJTA-HZPDHXFCSA-N 1 0 415.560 0.585 20 0 HCADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000672803419 1080785604 /nfs/dbraw/zinc/78/56/04/1080785604.db2.gz ZMMKYYOYNBMJTA-JKSUJKDBSA-N 1 0 415.560 0.585 20 0 HCADRO CC1(C)CN(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC[N@@H+]1CCO ZINC000672804639 1080788418 /nfs/dbraw/zinc/78/84/18/1080788418.db2.gz TYRRLNROCQQXCT-UHFFFAOYSA-N 1 0 403.527 0.433 20 0 HCADRO CN(C)c1nc(CNC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cs1 ZINC000672805527 1080789071 /nfs/dbraw/zinc/78/90/71/1080789071.db2.gz MHFWAQHZOVVCAG-UHFFFAOYSA-N 1 0 406.512 0.477 20 0 HCADRO CN(C)c1nc(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000672805703 1080789001 /nfs/dbraw/zinc/78/90/01/1080789001.db2.gz BRLKKSHWOQUKSG-CVEARBPZSA-N 1 0 409.556 0.709 20 0 HCADRO CN(C)c1nc(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000672805704 1080788990 /nfs/dbraw/zinc/78/89/90/1080788990.db2.gz BRLKKSHWOQUKSG-HOTGVXAUSA-N 1 0 409.556 0.709 20 0 HCADRO CN(C)c1nc(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cs1 ZINC000672805705 1080789109 /nfs/dbraw/zinc/78/91/09/1080789109.db2.gz BRLKKSHWOQUKSG-HZPDHXFCSA-N 1 0 409.556 0.709 20 0 HCADRO CN(C)c1nc(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cs1 ZINC000672805706 1080789040 /nfs/dbraw/zinc/78/90/40/1080789040.db2.gz BRLKKSHWOQUKSG-JKSUJKDBSA-N 1 0 409.556 0.709 20 0 HCADRO CN(C)c1nc(CNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000672805803 1080785413 /nfs/dbraw/zinc/78/54/13/1080785413.db2.gz NHHSNKZHYFBQIL-SJPCQFCGSA-N 1 0 420.583 0.595 20 0 HCADRO CN(C)c1nc(CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000672805912 1080785894 /nfs/dbraw/zinc/78/58/94/1080785894.db2.gz UEQIPVKXJYEQLY-UHFFFAOYSA-N 1 0 409.556 0.929 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCc3csc(N(C)C)n3)CC2)CC1 ZINC000672805925 1080786111 /nfs/dbraw/zinc/78/61/11/1080786111.db2.gz VLIBPRHMYHMKEZ-UHFFFAOYSA-N 1 0 422.599 0.842 20 0 HCADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCc2csc(N(C)C)n2)CC1 ZINC000672806320 1080785462 /nfs/dbraw/zinc/78/54/62/1080785462.db2.gz FGNZGASQMXDDAA-UHFFFAOYSA-N 1 0 404.496 0.578 20 0 HCADRO CN(C)c1nc(CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000672806344 1080785912 /nfs/dbraw/zinc/78/59/12/1080785912.db2.gz 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406.527 0.884 20 0 HCADRO CC1(C)CN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC[N@@H+]1CCO ZINC000672866560 1080803729 /nfs/dbraw/zinc/80/37/29/1080803729.db2.gz PYZITHNTLYMBPA-UHFFFAOYSA-N 1 0 423.602 0.809 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H]3C[C@@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874739 1080800640 /nfs/dbraw/zinc/80/06/40/1080800640.db2.gz FAQQOEYOUWHPDS-DKICVRJWSA-N 1 0 406.531 0.317 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H]3C[C@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874740 1080800716 /nfs/dbraw/zinc/80/07/16/1080800716.db2.gz FAQQOEYOUWHPDS-NBQZKYEYSA-N 1 0 406.531 0.317 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H]3C[C@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874741 1080800614 /nfs/dbraw/zinc/80/06/14/1080800614.db2.gz FAQQOEYOUWHPDS-UVFQYZLESA-N 1 0 406.531 0.317 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H]3C[C@@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874742 1080800543 /nfs/dbraw/zinc/80/05/43/1080800543.db2.gz FAQQOEYOUWHPDS-YYFZDKIDSA-N 1 0 406.531 0.317 20 0 HCADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(CNS(C)(=O)=O)CC3)C2)CC1 ZINC000672874975 1080801364 /nfs/dbraw/zinc/80/13/64/1080801364.db2.gz FYEAKONZDIBSIT-INIZCTEOSA-N 1 0 401.577 0.126 20 0 HCADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(CNS(C)(=O)=O)CC3)C2)CC1 ZINC000672874979 1080801202 /nfs/dbraw/zinc/80/12/02/1080801202.db2.gz FYEAKONZDIBSIT-MRXNPFEDSA-N 1 0 401.577 0.126 20 0 HCADRO COc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@H+](CCO)C(C)(C)C3)C2=O)cc1 ZINC000672876467 1080801734 /nfs/dbraw/zinc/80/17/34/1080801734.db2.gz RIDAIJKZGXUHGK-GOSISDBHSA-N 1 0 404.511 0.894 20 0 HCADRO COc1ccc(CN2CC[C@H](NC(=O)N3CC[N@H+](CCO)C(C)(C)C3)C2=O)cc1 ZINC000672876468 1080801908 /nfs/dbraw/zinc/80/19/08/1080801908.db2.gz RIDAIJKZGXUHGK-SFHVURJKSA-N 1 0 404.511 0.894 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000672876533 1080801244 /nfs/dbraw/zinc/80/12/44/1080801244.db2.gz IWEDELPJPCFNNC-ARFHVFGLSA-N 1 0 408.465 0.595 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000672876534 1080801297 /nfs/dbraw/zinc/80/12/97/1080801297.db2.gz IWEDELPJPCFNNC-BZUAXINKSA-N 1 0 408.465 0.595 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000672876535 1080801415 /nfs/dbraw/zinc/80/14/15/1080801415.db2.gz IWEDELPJPCFNNC-OAGGEKHMSA-N 1 0 408.465 0.595 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000672876536 1080801320 /nfs/dbraw/zinc/80/13/20/1080801320.db2.gz IWEDELPJPCFNNC-XHSDSOJGSA-N 1 0 408.465 0.595 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000672876583 1080801761 /nfs/dbraw/zinc/80/17/61/1080801761.db2.gz NOQXGWPSEVEAAB-DOTOQJQBSA-N 1 0 408.465 0.882 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000672876584 1080801718 /nfs/dbraw/zinc/80/17/18/1080801718.db2.gz NOQXGWPSEVEAAB-NVXWUHKLSA-N 1 0 408.465 0.882 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000672876585 1080801885 /nfs/dbraw/zinc/80/18/85/1080801885.db2.gz NOQXGWPSEVEAAB-RDJZCZTQSA-N 1 0 408.465 0.882 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000672876586 1080801951 /nfs/dbraw/zinc/80/19/51/1080801951.db2.gz NOQXGWPSEVEAAB-WBVHZDCISA-N 1 0 408.465 0.882 20 0 HCADRO CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876696 1080801265 /nfs/dbraw/zinc/80/12/65/1080801265.db2.gz XMVXGWOBAJNHHF-FCHUYYIVSA-N 1 0 415.582 0.961 20 0 HCADRO CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876697 1080801395 /nfs/dbraw/zinc/80/13/95/1080801395.db2.gz XMVXGWOBAJNHHF-FGZHOGPDSA-N 1 0 415.582 0.961 20 0 HCADRO CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876698 1080801134 /nfs/dbraw/zinc/80/11/34/1080801134.db2.gz XMVXGWOBAJNHHF-VXKWHMMOSA-N 1 0 415.582 0.961 20 0 HCADRO CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876699 1080801332 /nfs/dbraw/zinc/80/13/32/1080801332.db2.gz XMVXGWOBAJNHHF-YADHBBJMSA-N 1 0 415.582 0.961 20 0 HCADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672880005 1080806368 /nfs/dbraw/zinc/80/63/68/1080806368.db2.gz TXPCOIOFVDNFGN-GOSISDBHSA-N 1 0 404.559 0.690 20 0 HCADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672880006 1080806417 /nfs/dbraw/zinc/80/64/17/1080806417.db2.gz TXPCOIOFVDNFGN-SFHVURJKSA-N 1 0 404.559 0.690 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000672883120 1080808097 /nfs/dbraw/zinc/80/80/97/1080808097.db2.gz DZUAMEXCCNHLJK-UHFFFAOYSA-N 1 0 403.527 0.859 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000672883176 1080808070 /nfs/dbraw/zinc/80/80/70/1080808070.db2.gz IBCQJJKJUXPGEZ-UHFFFAOYSA-N 1 0 419.526 0.144 20 0 HCADRO Cc1c(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)n(C)nc1C(F)(F)F ZINC000672883308 1080808057 /nfs/dbraw/zinc/80/80/57/1080808057.db2.gz RFDQLLDUSTYLDM-UHFFFAOYSA-N 1 0 404.437 0.828 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000672883398 1080808010 /nfs/dbraw/zinc/80/80/10/1080808010.db2.gz YIQVKFBKPKQULF-UHFFFAOYSA-N 1 0 423.901 0.752 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000672890718 1080813339 /nfs/dbraw/zinc/81/33/39/1080813339.db2.gz AITYOTMVTRRQSL-UHFFFAOYSA-N 1 0 421.454 0.416 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000672890727 1080813321 /nfs/dbraw/zinc/81/33/21/1080813321.db2.gz CHKOOPBEENVNLP-UHFFFAOYSA-N 1 0 411.462 0.745 20 0 HCADRO CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000672893055 1080809154 /nfs/dbraw/zinc/80/91/54/1080809154.db2.gz YQFAKPYGOCVMLH-UHFFFAOYSA-N 1 0 405.499 0.842 20 0 HCADRO CC1(C)CN(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC[N@@H+]1CCO ZINC000672896418 1080811000 /nfs/dbraw/zinc/81/10/00/1080811000.db2.gz CYPXHMMXSRQXAV-KRWDZBQOSA-N 1 0 404.511 0.764 20 0 HCADRO CC1(C)CN(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC[N@@H+]1CCO ZINC000672896419 1080810934 /nfs/dbraw/zinc/81/09/34/1080810934.db2.gz CYPXHMMXSRQXAV-QGZVFWFLSA-N 1 0 404.511 0.764 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000672896718 1080810430 /nfs/dbraw/zinc/81/04/30/1080810430.db2.gz RPNFKMJJMUUKRV-HRCADAONSA-N 1 0 400.479 0.232 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000672896719 1080810290 /nfs/dbraw/zinc/81/02/90/1080810290.db2.gz RPNFKMJJMUUKRV-JYJNAYRXSA-N 1 0 400.479 0.232 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000672896720 1080810408 /nfs/dbraw/zinc/81/04/08/1080810408.db2.gz RPNFKMJJMUUKRV-OWCLPIDISA-N 1 0 400.479 0.232 20 0 HCADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000672896721 1080810268 /nfs/dbraw/zinc/81/02/68/1080810268.db2.gz RPNFKMJJMUUKRV-PMPSAXMXSA-N 1 0 400.479 0.232 20 0 HCADRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000672896725 1080810330 /nfs/dbraw/zinc/81/03/30/1080810330.db2.gz SMHKEZLFDSJVAH-CYBMUJFWSA-N 1 0 413.496 0.264 20 0 HCADRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000672896726 1080810251 /nfs/dbraw/zinc/81/02/51/1080810251.db2.gz SMHKEZLFDSJVAH-ZDUSSCGKSA-N 1 0 413.496 0.264 20 0 HCADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cnc2c(F)cc(F)cc2c1O ZINC000672901442 1080814313 /nfs/dbraw/zinc/81/43/13/1080814313.db2.gz QGIIGBJVOFJTBX-AWEZNQCLSA-N 1 0 406.433 0.943 20 0 HCADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cnc2c(F)cc(F)cc2c1O ZINC000672901446 1080814366 /nfs/dbraw/zinc/81/43/66/1080814366.db2.gz QGIIGBJVOFJTBX-CQSZACIVSA-N 1 0 406.433 0.943 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCO[C@@H](C)C2)c1 ZINC000672905703 1080815404 /nfs/dbraw/zinc/81/54/04/1080815404.db2.gz FYYZAANARUBGFW-INIZCTEOSA-N 1 0 419.526 0.742 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCO[C@H](C)C2)c1 ZINC000672905704 1080815442 /nfs/dbraw/zinc/81/54/42/1080815442.db2.gz FYYZAANARUBGFW-MRXNPFEDSA-N 1 0 419.526 0.742 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1F ZINC000672910673 1080818256 /nfs/dbraw/zinc/81/82/56/1080818256.db2.gz IBGICECNQGXXOI-AWEZNQCLSA-N 1 0 412.487 0.615 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1F ZINC000672910674 1080818236 /nfs/dbraw/zinc/81/82/36/1080818236.db2.gz IBGICECNQGXXOI-CQSZACIVSA-N 1 0 412.487 0.615 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672910712 1080818398 /nfs/dbraw/zinc/81/83/98/1080818398.db2.gz SLPSVPRQPYPXGV-HNNXBMFYSA-N 1 0 409.508 0.779 20 0 HCADRO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672910713 1080818326 /nfs/dbraw/zinc/81/83/26/1080818326.db2.gz SLPSVPRQPYPXGV-OAHLLOKOSA-N 1 0 409.508 0.779 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n(C)nc1C(F)(F)F ZINC000672915029 1080819433 /nfs/dbraw/zinc/81/94/33/1080819433.db2.gz IHWKVTVFMVPHRY-CYBMUJFWSA-N 1 0 416.448 0.924 20 0 HCADRO Cc1c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n(C)nc1C(F)(F)F ZINC000672915030 1080819423 /nfs/dbraw/zinc/81/94/23/1080819423.db2.gz IHWKVTVFMVPHRY-ZDUSSCGKSA-N 1 0 416.448 0.924 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000672915042 1080819468 /nfs/dbraw/zinc/81/94/68/1080819468.db2.gz JFHMRTVJSSZRFV-IBGZPJMESA-N 1 0 415.538 0.955 20 0 HCADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000672915043 1080819398 /nfs/dbraw/zinc/81/93/98/1080819398.db2.gz JFHMRTVJSSZRFV-LJQANCHMSA-N 1 0 415.538 0.955 20 0 HCADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CC[N@H+](CCO)C(C)(C)C3)C2=O)c1 ZINC000672917421 1080819868 /nfs/dbraw/zinc/81/98/68/1080819868.db2.gz AOXGIIDGIGRCGQ-GOSISDBHSA-N 1 0 420.510 0.907 20 0 HCADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[N@H+](CCO)C(C)(C)C3)C2=O)c1 ZINC000672917422 1080819927 /nfs/dbraw/zinc/81/99/27/1080819927.db2.gz AOXGIIDGIGRCGQ-SFHVURJKSA-N 1 0 420.510 0.907 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)c1 ZINC000672921747 1080818311 /nfs/dbraw/zinc/81/83/11/1080818311.db2.gz AMROUEHCWOZNNU-AWEZNQCLSA-N 1 0 403.483 0.642 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCNC(=O)C[C@H]2C)c1 ZINC000672921748 1080818359 /nfs/dbraw/zinc/81/83/59/1080818359.db2.gz AMROUEHCWOZNNU-CQSZACIVSA-N 1 0 403.483 0.642 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCc2nnnn2C2CC2)c1 ZINC000672923267 1080822555 /nfs/dbraw/zinc/82/25/55/1080822555.db2.gz WTZLEELOWBFTAS-UHFFFAOYSA-N 1 0 414.470 0.543 20 0 HCADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 ZINC000672930349 1080824819 /nfs/dbraw/zinc/82/48/19/1080824819.db2.gz AXPKZVBQNIDZPB-UHFFFAOYSA-N 1 0 421.473 0.911 20 0 HCADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NCC[NH+]2CCC(OC)CC2)c1 ZINC000672930422 1080824810 /nfs/dbraw/zinc/82/48/10/1080824810.db2.gz QGOSWONHMRYMIW-UHFFFAOYSA-N 1 0 406.483 0.228 20 0 HCADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000672930507 1080824827 /nfs/dbraw/zinc/82/48/27/1080824827.db2.gz XLQUBQGAIJXNTK-UHFFFAOYSA-N 1 0 410.858 0.836 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)Nc2cnn(CCO)c2)c1 ZINC000672931054 1080820975 /nfs/dbraw/zinc/82/09/75/1080820975.db2.gz OQHNHLZVRKICIC-UHFFFAOYSA-N 1 0 402.455 0.733 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1F ZINC000672933278 1080821952 /nfs/dbraw/zinc/82/19/52/1080821952.db2.gz ZUNBSIZLYBLSGS-UHFFFAOYSA-N 1 0 412.447 0.069 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1 ZINC000672934758 1080826334 /nfs/dbraw/zinc/82/63/34/1080826334.db2.gz BAPLHUVKFXZTJK-CRAIPNDOSA-N 1 0 419.526 0.741 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c1 ZINC000672934759 1080826228 /nfs/dbraw/zinc/82/62/28/1080826228.db2.gz BAPLHUVKFXZTJK-MAUKXSAKSA-N 1 0 419.526 0.741 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000672934760 1080826351 /nfs/dbraw/zinc/82/63/51/1080826351.db2.gz BAPLHUVKFXZTJK-QAPCUYQASA-N 1 0 419.526 0.741 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000672934761 1080826260 /nfs/dbraw/zinc/82/62/60/1080826260.db2.gz BAPLHUVKFXZTJK-YJBOKZPZSA-N 1 0 419.526 0.741 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1F ZINC000672946451 1080825296 /nfs/dbraw/zinc/82/52/96/1080825296.db2.gz WLGABSFTHYGZRR-UHFFFAOYSA-N 1 0 418.410 0.892 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H](n3cncn3)C2)c1 ZINC000672956207 1080831562 /nfs/dbraw/zinc/83/15/62/1080831562.db2.gz GFAYHDIQWMWRSK-KRWDZBQOSA-N 1 0 413.482 0.971 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H](n3cncn3)C2)c1 ZINC000672956208 1080831595 /nfs/dbraw/zinc/83/15/95/1080831595.db2.gz GFAYHDIQWMWRSK-QGZVFWFLSA-N 1 0 413.482 0.971 20 0 HCADRO CN(CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)S(=O)(=O)c1cccs1 ZINC000672962478 1080834262 /nfs/dbraw/zinc/83/42/62/1080834262.db2.gz GKDFBYGBCCBRPC-UHFFFAOYSA-N 1 0 404.558 0.467 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)S(C)(=O)=O ZINC000672962523 1080833857 /nfs/dbraw/zinc/83/38/57/1080833857.db2.gz OJLKYOSGOZDQMQ-NXWXRZEISA-N 1 0 421.563 0.953 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)S(C)(=O)=O ZINC000672962525 1080833811 /nfs/dbraw/zinc/83/38/11/1080833811.db2.gz OJLKYOSGOZDQMQ-OQIJWPOYSA-N 1 0 421.563 0.953 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)S(C)(=O)=O ZINC000672962526 1080833786 /nfs/dbraw/zinc/83/37/86/1080833786.db2.gz OJLKYOSGOZDQMQ-QXCFHYIPSA-N 1 0 421.563 0.953 20 0 HCADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)S(C)(=O)=O ZINC000672962528 1080834320 /nfs/dbraw/zinc/83/43/20/1080834320.db2.gz OJLKYOSGOZDQMQ-XGXHKWSGSA-N 1 0 421.563 0.953 20 0 HCADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)c(C)s1 ZINC000672962826 1080829353 /nfs/dbraw/zinc/82/93/53/1080829353.db2.gz XUDKIXOSRXYVHB-UHFFFAOYSA-N 1 0 418.585 0.741 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)s1 ZINC000672963502 1080834872 /nfs/dbraw/zinc/83/48/72/1080834872.db2.gz NXFHZLIIGLGAKX-UHFFFAOYSA-N 1 0 404.558 0.433 20 0 HCADRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1)C1CC[NH+](C)CC1 ZINC000672965303 1080835461 /nfs/dbraw/zinc/83/54/61/1080835461.db2.gz CGGYCIUXFRBTHX-GFCCVEGCSA-N 1 0 414.503 0.861 20 0 HCADRO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1)C1CC[NH+](C)CC1 ZINC000672965305 1080835378 /nfs/dbraw/zinc/83/53/78/1080835378.db2.gz CGGYCIUXFRBTHX-LBPRGKRZSA-N 1 0 414.503 0.861 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)ccc1F ZINC000672965314 1080835503 /nfs/dbraw/zinc/83/55/03/1080835503.db2.gz CYZNZWVDJDADNB-LLVKDONJSA-N 1 0 400.476 0.519 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)ccc1F ZINC000672965317 1080835481 /nfs/dbraw/zinc/83/54/81/1080835481.db2.gz CYZNZWVDJDADNB-NSHDSACASA-N 1 0 400.476 0.519 20 0 HCADRO Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672969817 1080835922 /nfs/dbraw/zinc/83/59/22/1080835922.db2.gz RIBDOLSHPQRLMA-GFCCVEGCSA-N 1 0 416.448 0.971 20 0 HCADRO Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672969818 1080836513 /nfs/dbraw/zinc/83/65/13/1080836513.db2.gz RIBDOLSHPQRLMA-LBPRGKRZSA-N 1 0 416.448 0.971 20 0 HCADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000672970024 1080836613 /nfs/dbraw/zinc/83/66/13/1080836613.db2.gz NPVHLNJRYGDPOD-GFCCVEGCSA-N 1 0 400.476 0.663 20 0 HCADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000672970025 1080836548 /nfs/dbraw/zinc/83/65/48/1080836548.db2.gz NPVHLNJRYGDPOD-LBPRGKRZSA-N 1 0 400.476 0.663 20 0 HCADRO CC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1F ZINC000672970276 1080836639 /nfs/dbraw/zinc/83/66/39/1080836639.db2.gz FDLODHQNKVLJMG-INIZCTEOSA-N 1 0 406.458 0.490 20 0 HCADRO CC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1F ZINC000672970277 1080836490 /nfs/dbraw/zinc/83/64/90/1080836490.db2.gz FDLODHQNKVLJMG-MRXNPFEDSA-N 1 0 406.458 0.490 20 0 HCADRO O=C(Nc1nc(-c2ccco2)cs1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672970403 1080836664 /nfs/dbraw/zinc/83/66/64/1080836664.db2.gz UFRKZFVVSYCOLE-AWEZNQCLSA-N 1 0 419.507 0.864 20 0 HCADRO O=C(Nc1nc(-c2ccco2)cs1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672970404 1080836737 /nfs/dbraw/zinc/83/67/37/1080836737.db2.gz UFRKZFVVSYCOLE-CQSZACIVSA-N 1 0 419.507 0.864 20 0 HCADRO CC1(C)CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[N@@H+]1CCO ZINC000672970477 1080836592 /nfs/dbraw/zinc/83/65/92/1080836592.db2.gz JQIFGAHKTPMBKB-UHFFFAOYSA-N 1 0 424.976 0.778 20 0 HCADRO CN(CCCC[NH+](C)C)C(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000672970713 1080836688 /nfs/dbraw/zinc/83/66/88/1080836688.db2.gz AOZDITVHCLRRPQ-DLBZAZTESA-N 1 0 416.522 0.822 20 0 HCADRO CN(CCCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000672970714 1080836731 /nfs/dbraw/zinc/83/67/31/1080836731.db2.gz AOZDITVHCLRRPQ-IAGOWNOFSA-N 1 0 416.522 0.822 20 0 HCADRO CN(CCCC[NH+](C)C)C(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000672970715 1080836558 /nfs/dbraw/zinc/83/65/58/1080836558.db2.gz AOZDITVHCLRRPQ-IRXDYDNUSA-N 1 0 416.522 0.822 20 0 HCADRO CN(CCCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000672970716 1080836537 /nfs/dbraw/zinc/83/65/37/1080836537.db2.gz AOZDITVHCLRRPQ-SJORKVTESA-N 1 0 416.522 0.822 20 0 HCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)ccc1F ZINC000672970721 1080836678 /nfs/dbraw/zinc/83/66/78/1080836678.db2.gz ARXRZZZCDPYKRV-UHFFFAOYSA-N 1 0 402.492 0.815 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCC1 ZINC000672980021 1080839134 /nfs/dbraw/zinc/83/91/34/1080839134.db2.gz UMRXPMKOLAXXJV-UHFFFAOYSA-N 1 0 402.495 0.376 20 0 HCADRO CC[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCC1)c1ccccc1OCC(=O)NC ZINC000672980228 1080838716 /nfs/dbraw/zinc/83/87/16/1080838716.db2.gz HIBAHHHIUYBTNO-INIZCTEOSA-N 1 0 404.511 0.979 20 0 HCADRO CC[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCC1)c1ccccc1OCC(=O)NC ZINC000672980229 1080839066 /nfs/dbraw/zinc/83/90/66/1080839066.db2.gz HIBAHHHIUYBTNO-MRXNPFEDSA-N 1 0 404.511 0.979 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1F ZINC000672982493 1080836724 /nfs/dbraw/zinc/83/67/24/1080836724.db2.gz PVHOYKQEBCAULI-CYBMUJFWSA-N 1 0 400.476 0.661 20 0 HCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)ccc1F ZINC000672982494 1080836698 /nfs/dbraw/zinc/83/66/98/1080836698.db2.gz PVHOYKQEBCAULI-ZDUSSCGKSA-N 1 0 400.476 0.661 20 0 HCADRO COC1(CNC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCOCC1 ZINC000672992770 1080843939 /nfs/dbraw/zinc/84/39/39/1080843939.db2.gz CPLXULDBIWNVNE-UHFFFAOYSA-N 1 0 411.543 0.697 20 0 HCADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC2(OC)CCOCC2)c1 ZINC000672993389 1080839703 /nfs/dbraw/zinc/83/97/03/1080839703.db2.gz UMIVZUQBTJAVQG-UHFFFAOYSA-N 1 0 407.511 0.897 20 0 HCADRO COC1(CNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCOCC1 ZINC000672994229 1080840304 /nfs/dbraw/zinc/84/03/04/1080840304.db2.gz YTGAFIDKQNHSHW-JWTNVVGKSA-N 1 0 408.543 0.068 20 0 HCADRO COC1(CNC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCOCC1 ZINC000672994601 1080840363 /nfs/dbraw/zinc/84/03/63/1080840363.db2.gz USEGVDFRPAETCZ-UHFFFAOYSA-N 1 0 410.559 0.315 20 0 HCADRO COC1(CNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCOCC1 ZINC000672994987 1080841810 /nfs/dbraw/zinc/84/18/10/1080841810.db2.gz RODXWXPXXNGORR-UHFFFAOYSA-N 1 0 411.543 0.649 20 0 HCADRO COC1(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000672995178 1080841140 /nfs/dbraw/zinc/84/11/40/1080841140.db2.gz TVQQQYZBXYKAHJ-IBGZPJMESA-N 1 0 419.522 0.706 20 0 HCADRO COC1(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000672995179 1080841249 /nfs/dbraw/zinc/84/12/49/1080841249.db2.gz TVQQQYZBXYKAHJ-LJQANCHMSA-N 1 0 419.522 0.706 20 0 HCADRO COC1(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000672995851 1080840600 /nfs/dbraw/zinc/84/06/00/1080840600.db2.gz DEFGTUDPGWMYIJ-GOSISDBHSA-N 1 0 405.495 0.181 20 0 HCADRO COC1(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000672995852 1080840587 /nfs/dbraw/zinc/84/05/87/1080840587.db2.gz DEFGTUDPGWMYIJ-SFHVURJKSA-N 1 0 405.495 0.181 20 0 HCADRO COC1(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCOCC1 ZINC000672996072 1080842279 /nfs/dbraw/zinc/84/22/79/1080842279.db2.gz OUHMFHATGGEPJW-UHFFFAOYSA-N 1 0 419.522 0.571 20 0 HCADRO COC1(CNC(=O)C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CCOCC1 ZINC000672996283 1080842261 /nfs/dbraw/zinc/84/22/61/1080842261.db2.gz FTJHUPNMSMKCTD-UHFFFAOYSA-N 1 0 410.559 0.365 20 0 HCADRO COC1(CNC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CCOCC1 ZINC000672996361 1080842322 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COc1cnccc1[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673042994 1080856620 /nfs/dbraw/zinc/85/66/20/1080856620.db2.gz ZDHMMBUOPHQPDO-DOTOQJQBSA-N 1 0 403.527 0.894 20 0 HCADRO COc1cnccc1[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673042995 1080856436 /nfs/dbraw/zinc/85/64/36/1080856436.db2.gz ZDHMMBUOPHQPDO-NVXWUHKLSA-N 1 0 403.527 0.894 20 0 HCADRO COc1cnccc1[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673042996 1080856486 /nfs/dbraw/zinc/85/64/86/1080856486.db2.gz ZDHMMBUOPHQPDO-RDJZCZTQSA-N 1 0 403.527 0.894 20 0 HCADRO COc1cnccc1[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673042997 1080856675 /nfs/dbraw/zinc/85/66/75/1080856675.db2.gz ZDHMMBUOPHQPDO-WBVHZDCISA-N 1 0 403.527 0.894 20 0 HCADRO COCCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000673043387 1080856594 /nfs/dbraw/zinc/85/65/94/1080856594.db2.gz UQNVVFBHTRQRMX-UHFFFAOYSA-N 1 0 413.540 0.705 20 0 HCADRO CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000673044286 1080856562 /nfs/dbraw/zinc/85/65/62/1080856562.db2.gz CXTNHLYRDWBSCF-UHFFFAOYSA-N 1 0 404.577 0.677 20 0 HCADRO CN(CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000673056456 1080859955 /nfs/dbraw/zinc/85/99/55/1080859955.db2.gz SXRYRDORBLVJJC-UHFFFAOYSA-N 1 0 416.519 0.544 20 0 HCADRO CC1(C)CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC[N@@H+]1CCO ZINC000673058015 1080865410 /nfs/dbraw/zinc/86/54/10/1080865410.db2.gz MTQIOAMXHZUFDY-UHFFFAOYSA-N 1 0 420.482 0.341 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)C2=O)cn1 ZINC000673059171 1080865746 /nfs/dbraw/zinc/86/57/46/1080865746.db2.gz HGPHDQMVQINMLS-HKUYNNGSSA-N 1 0 424.505 0.375 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)C2=O)cn1 ZINC000673059172 1080865784 /nfs/dbraw/zinc/86/57/84/1080865784.db2.gz HGPHDQMVQINMLS-IEBWSBKVSA-N 1 0 424.505 0.375 20 0 HCADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)C2=O)cn1 ZINC000673059173 1080865931 /nfs/dbraw/zinc/86/59/31/1080865931.db2.gz HGPHDQMVQINMLS-MJGOQNOKSA-N 1 0 424.505 0.375 20 0 HCADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)C2=O)cn1 ZINC000673059174 1080865878 /nfs/dbraw/zinc/86/58/78/1080865878.db2.gz HGPHDQMVQINMLS-PKOBYXMFSA-N 1 0 424.505 0.375 20 0 HCADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000673062114 1080862243 /nfs/dbraw/zinc/86/22/43/1080862243.db2.gz YUFUAXFAPKZXBB-UHFFFAOYSA-N 1 0 423.583 0.526 20 0 HCADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000673064097 1080864013 /nfs/dbraw/zinc/86/40/13/1080864013.db2.gz JNQAQOVOAPKHIF-INIZCTEOSA-N 1 0 412.556 0.842 20 0 HCADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000673064099 1080863847 /nfs/dbraw/zinc/86/38/47/1080863847.db2.gz JNQAQOVOAPKHIF-MRXNPFEDSA-N 1 0 412.556 0.842 20 0 HCADRO CC1(C)CN(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC[N@@H+]1CCO ZINC000673064791 1080863973 /nfs/dbraw/zinc/86/39/73/1080863973.db2.gz YRTGKKGFTGKHGP-KRWDZBQOSA-N 1 0 404.511 0.764 20 0 HCADRO CC1(C)CN(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC[N@@H+]1CCO ZINC000673064792 1080863879 /nfs/dbraw/zinc/86/38/79/1080863879.db2.gz YRTGKKGFTGKHGP-QGZVFWFLSA-N 1 0 404.511 0.764 20 0 HCADRO CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)N1CCN([C@H]3CCC[N@H+](C)C3)CC1)CC2 ZINC000673094951 1080873557 /nfs/dbraw/zinc/87/35/57/1080873557.db2.gz OZNBXVXTNBKUCM-MOPGFXCFSA-N 1 0 416.570 0.676 20 0 HCADRO CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)N1CCN([C@H]3CCC[N@H+](C)C3)CC1)CC2 ZINC000673094952 1080873591 /nfs/dbraw/zinc/87/35/91/1080873591.db2.gz OZNBXVXTNBKUCM-OALUTQOASA-N 1 0 416.570 0.676 20 0 HCADRO CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)N1CCN([C@@H]3CCC[N@H+](C)C3)CC1)CC2 ZINC000673094953 1080873525 /nfs/dbraw/zinc/87/35/25/1080873525.db2.gz OZNBXVXTNBKUCM-RBUKOAKNSA-N 1 0 416.570 0.676 20 0 HCADRO CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)N1CCN([C@@H]3CCC[N@H+](C)C3)CC1)CC2 ZINC000673094954 1080873535 /nfs/dbraw/zinc/87/35/35/1080873535.db2.gz OZNBXVXTNBKUCM-RTBURBONSA-N 1 0 416.570 0.676 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCOC3(CCOCC3)CC2)Cc2ccccc2C1 ZINC000673095873 1080873945 /nfs/dbraw/zinc/87/39/45/1080873945.db2.gz AZWDVMXLZVAQSJ-UHFFFAOYSA-N 1 0 415.534 1.000 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000673095947 1080873875 /nfs/dbraw/zinc/87/38/75/1080873875.db2.gz QKMHKOZTLKBGIG-FQEVSTJZSA-N 1 0 414.550 0.525 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000673095948 1080873998 /nfs/dbraw/zinc/87/39/98/1080873998.db2.gz QKMHKOZTLKBGIG-HXUWFJFHSA-N 1 0 414.550 0.525 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCC(OCCCO)CC2)Cc2ccccc2C1 ZINC000673096131 1080876243 /nfs/dbraw/zinc/87/62/43/1080876243.db2.gz VCWJJRMZTFOFNN-UHFFFAOYSA-N 1 0 403.523 0.592 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)Cc2ccccc2C1 ZINC000673096138 1080876284 /nfs/dbraw/zinc/87/62/84/1080876284.db2.gz ZEHMKEBWIFPUEC-MOPGFXCFSA-N 1 0 401.507 0.608 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)Cc2ccccc2C1 ZINC000673096139 1080876226 /nfs/dbraw/zinc/87/62/26/1080876226.db2.gz ZEHMKEBWIFPUEC-OALUTQOASA-N 1 0 401.507 0.608 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)Cc2ccccc2C1 ZINC000673096140 1080876126 /nfs/dbraw/zinc/87/61/26/1080876126.db2.gz ZEHMKEBWIFPUEC-RBUKOAKNSA-N 1 0 401.507 0.608 20 0 HCADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)Cc2ccccc2C1 ZINC000673096141 1080876271 /nfs/dbraw/zinc/87/62/71/1080876271.db2.gz ZEHMKEBWIFPUEC-RTBURBONSA-N 1 0 401.507 0.608 20 0 HCADRO CN(C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1)S(C)(=O)=O ZINC000673096274 1080875075 /nfs/dbraw/zinc/87/50/75/1080875075.db2.gz NZSGCHLWGMZXMN-AWEZNQCLSA-N 1 0 420.495 0.336 20 0 HCADRO CN(C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1)S(C)(=O)=O ZINC000673096275 1080875023 /nfs/dbraw/zinc/87/50/23/1080875023.db2.gz NZSGCHLWGMZXMN-CQSZACIVSA-N 1 0 420.495 0.336 20 0 HCADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673096339 1080875354 /nfs/dbraw/zinc/87/53/54/1080875354.db2.gz LNDVVQMNGRHGND-HNNXBMFYSA-N 1 0 406.468 0.088 20 0 HCADRO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673096340 1080875335 /nfs/dbraw/zinc/87/53/35/1080875335.db2.gz LNDVVQMNGRHGND-OAHLLOKOSA-N 1 0 406.468 0.088 20 0 HCADRO Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673101817 1080877842 /nfs/dbraw/zinc/87/78/42/1080877842.db2.gz BVSFGXOTICOUNC-KBXCAEBGSA-N 1 0 405.543 0.966 20 0 HCADRO Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673101818 1080877977 /nfs/dbraw/zinc/87/79/77/1080877977.db2.gz BVSFGXOTICOUNC-KDOFPFPSSA-N 1 0 405.543 0.966 20 0 HCADRO Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673101819 1080877934 /nfs/dbraw/zinc/87/79/34/1080877934.db2.gz BVSFGXOTICOUNC-KSSFIOAISA-N 1 0 405.543 0.966 20 0 HCADRO Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673101820 1080877993 /nfs/dbraw/zinc/87/79/93/1080877993.db2.gz BVSFGXOTICOUNC-RDTXWAMCSA-N 1 0 405.543 0.966 20 0 HCADRO Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673105229 1080880502 /nfs/dbraw/zinc/88/05/02/1080880502.db2.gz DMXWTRCLELPJGE-IBGZPJMESA-N 1 0 418.586 0.713 20 0 HCADRO Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673105230 1080880489 /nfs/dbraw/zinc/88/04/89/1080880489.db2.gz DMXWTRCLELPJGE-LJQANCHMSA-N 1 0 418.586 0.713 20 0 HCADRO Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673105635 1080880066 /nfs/dbraw/zinc/88/00/66/1080880066.db2.gz MTUWVOVKNPBDBP-GOSISDBHSA-N 1 0 404.559 0.324 20 0 HCADRO Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000673105636 1080879980 /nfs/dbraw/zinc/87/99/80/1080879980.db2.gz MTUWVOVKNPBDBP-SFHVURJKSA-N 1 0 404.559 0.324 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)cn1 ZINC000673113162 1080885900 /nfs/dbraw/zinc/88/59/00/1080885900.db2.gz NKRFIDBIOWIZMI-HNNXBMFYSA-N 1 0 405.503 0.180 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cn1 ZINC000673113163 1080886258 /nfs/dbraw/zinc/88/62/58/1080886258.db2.gz NKRFIDBIOWIZMI-OAHLLOKOSA-N 1 0 405.503 0.180 20 0 HCADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673118158 1080883980 /nfs/dbraw/zinc/88/39/80/1080883980.db2.gz FNIVFXYWDGMEBT-BBRMVZONSA-N 1 0 420.495 0.430 20 0 HCADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673118159 1080883947 /nfs/dbraw/zinc/88/39/47/1080883947.db2.gz FNIVFXYWDGMEBT-CJNGLKHVSA-N 1 0 420.495 0.430 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673118160 1080883969 /nfs/dbraw/zinc/88/39/69/1080883969.db2.gz FNIVFXYWDGMEBT-CZUORRHYSA-N 1 0 420.495 0.430 20 0 HCADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673118161 1080883938 /nfs/dbraw/zinc/88/39/38/1080883938.db2.gz FNIVFXYWDGMEBT-XJKSGUPXSA-N 1 0 420.495 0.430 20 0 HCADRO C[C@]1(C[C@H]2CCCN2C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)NC(=O)NC1=O ZINC000673121334 1080890503 /nfs/dbraw/zinc/89/05/03/1080890503.db2.gz GTSLUOFBUPUYMY-AUUYWEPGSA-N 1 0 411.422 0.185 20 0 HCADRO C[C@]1(C[C@@H]2CCCN2C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)NC(=O)NC1=O ZINC000673121335 1080890466 /nfs/dbraw/zinc/89/04/66/1080890466.db2.gz GTSLUOFBUPUYMY-IFXJQAMLSA-N 1 0 411.422 0.185 20 0 HCADRO C[C@@]1(C[C@H]2CCCN2C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)NC(=O)NC1=O ZINC000673121336 1080890425 /nfs/dbraw/zinc/89/04/25/1080890425.db2.gz GTSLUOFBUPUYMY-KUHUBIRLSA-N 1 0 411.422 0.185 20 0 HCADRO C[C@@]1(C[C@@H]2CCCN2C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)NC(=O)NC1=O ZINC000673121337 1080890833 /nfs/dbraw/zinc/89/08/33/1080890833.db2.gz GTSLUOFBUPUYMY-LIRRHRJNSA-N 1 0 411.422 0.185 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCCN2C(=O)c3ccccc3C2=O)cn1 ZINC000673124149 1080886693 /nfs/dbraw/zinc/88/66/93/1080886693.db2.gz FJPSSBHYDMRBAB-UHFFFAOYSA-N 1 0 412.450 0.186 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000673125971 1080887146 /nfs/dbraw/zinc/88/71/46/1080887146.db2.gz CETQCPXLYFUWMV-UHFFFAOYSA-N 1 0 405.499 0.878 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)Nc2cnn(C)c2C(F)F)CC1 ZINC000673125980 1080887047 /nfs/dbraw/zinc/88/70/47/1080887047.db2.gz FQADKQNDHUJABS-UHFFFAOYSA-N 1 0 417.457 0.882 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)Nc2cnc3c(c2)COCC3)CC1 ZINC000673125998 1080887087 /nfs/dbraw/zinc/88/70/87/1080887087.db2.gz QBVHUBFCIVAABF-UHFFFAOYSA-N 1 0 420.510 0.679 20 0 HCADRO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000673126008 1080887117 /nfs/dbraw/zinc/88/71/17/1080887117.db2.gz VRTAMWSVNYJBSK-UHFFFAOYSA-N 1 0 424.473 0.449 20 0 HCADRO CSc1ccncc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000673126257 1080887791 /nfs/dbraw/zinc/88/77/91/1080887791.db2.gz BPZJZJBSULHKQG-AGUYFDCRSA-N 1 0 405.524 0.942 20 0 HCADRO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673127670 1080888180 /nfs/dbraw/zinc/88/81/80/1080888180.db2.gz BADPGZAQVDGGTQ-HNNXBMFYSA-N 1 0 406.468 0.136 20 0 HCADRO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673127671 1080888263 /nfs/dbraw/zinc/88/82/63/1080888263.db2.gz BADPGZAQVDGGTQ-OAHLLOKOSA-N 1 0 406.468 0.136 20 0 HCADRO O=C(NC[C@H](N1CCOCC1)C(F)(F)F)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673128443 1080888981 /nfs/dbraw/zinc/88/89/81/1080888981.db2.gz FPEDVYAQHDGWHO-AWEZNQCLSA-N 1 0 412.372 0.585 20 0 HCADRO O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673128444 1080889336 /nfs/dbraw/zinc/88/93/36/1080889336.db2.gz FPEDVYAQHDGWHO-CQSZACIVSA-N 1 0 412.372 0.585 20 0 HCADRO CC(C)Cn1ccnc1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673130117 1080890152 /nfs/dbraw/zinc/89/01/52/1080890152.db2.gz KNUIZICXVDJWGZ-GOSISDBHSA-N 1 0 404.559 0.782 20 0 HCADRO CC(C)Cn1ccnc1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673130118 1080890059 /nfs/dbraw/zinc/89/00/59/1080890059.db2.gz KNUIZICXVDJWGZ-SFHVURJKSA-N 1 0 404.559 0.782 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cn1 ZINC000673137695 1080892780 /nfs/dbraw/zinc/89/27/80/1080892780.db2.gz WNGZJOZTSTYYPQ-HNNXBMFYSA-N 1 0 406.874 0.249 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)cn1 ZINC000673137696 1080892792 /nfs/dbraw/zinc/89/27/92/1080892792.db2.gz WNGZJOZTSTYYPQ-OAHLLOKOSA-N 1 0 406.874 0.249 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H](CCCO)c3ccccc3)CC2)C1 ZINC000673141311 1080893285 /nfs/dbraw/zinc/89/32/85/1080893285.db2.gz VYWPYFVEVCPGJM-PMACEKPBSA-N 1 0 402.539 0.855 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H](CCCO)c3ccccc3)CC2)C1 ZINC000673141312 1080893328 /nfs/dbraw/zinc/89/33/28/1080893328.db2.gz VYWPYFVEVCPGJM-UXHICEINSA-N 1 0 402.539 0.855 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H](CCCO)c3ccccc3)CC2)C1 ZINC000673141313 1080893465 /nfs/dbraw/zinc/89/34/65/1080893465.db2.gz VYWPYFVEVCPGJM-VQTJNVASSA-N 1 0 402.539 0.855 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H](CCCO)c3ccccc3)CC2)C1 ZINC000673141314 1080893438 /nfs/dbraw/zinc/89/34/38/1080893438.db2.gz VYWPYFVEVCPGJM-WOJBJXKFSA-N 1 0 402.539 0.855 20 0 HCADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccco1 ZINC000673143119 1080894627 /nfs/dbraw/zinc/89/46/27/1080894627.db2.gz WQYLTHXOHPZOMI-CABCVRRESA-N 1 0 401.533 0.842 20 0 HCADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccco1 ZINC000673143120 1080894705 /nfs/dbraw/zinc/89/47/05/1080894705.db2.gz WQYLTHXOHPZOMI-GJZGRUSLSA-N 1 0 401.533 0.842 20 0 HCADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccco1 ZINC000673143121 1080894615 /nfs/dbraw/zinc/89/46/15/1080894615.db2.gz WQYLTHXOHPZOMI-HUUCEWRRSA-N 1 0 401.533 0.842 20 0 HCADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccco1 ZINC000673143122 1080894577 /nfs/dbraw/zinc/89/45/77/1080894577.db2.gz WQYLTHXOHPZOMI-LSDHHAIUSA-N 1 0 401.533 0.842 20 0 HCADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000673147670 1080894296 /nfs/dbraw/zinc/89/42/96/1080894296.db2.gz QZYITQSGHPSUGO-CYBMUJFWSA-N 1 0 406.468 0.088 20 0 HCADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2nccc(C(C)C)n2)CC1 ZINC000673148380 1080896921 /nfs/dbraw/zinc/89/69/21/1080896921.db2.gz GCXPESJAXRDADF-UHFFFAOYSA-N 1 0 406.531 0.333 20 0 HCADRO COC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCCO1 ZINC000673152303 1080896417 /nfs/dbraw/zinc/89/64/17/1080896417.db2.gz BVRJHDPUAVMZEY-BTHPGYMESA-N 1 0 419.522 0.702 20 0 HCADRO COC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCCO1 ZINC000673152304 1080896378 /nfs/dbraw/zinc/89/63/78/1080896378.db2.gz BVRJHDPUAVMZEY-GSEOLPGOSA-N 1 0 419.522 0.702 20 0 HCADRO COC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCCO1 ZINC000673152305 1080896334 /nfs/dbraw/zinc/89/63/34/1080896334.db2.gz BVRJHDPUAVMZEY-GTAWCEEGSA-N 1 0 419.522 0.702 20 0 HCADRO COC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCCO1 ZINC000673152306 1080896305 /nfs/dbraw/zinc/89/63/05/1080896305.db2.gz BVRJHDPUAVMZEY-MDNKFWRPSA-N 1 0 419.522 0.702 20 0 HCADRO C[C@H](NC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000673152313 1080896359 /nfs/dbraw/zinc/89/63/59/1080896359.db2.gz DDVCGOLSZFCTFV-JLMWRMLUSA-N 1 0 417.506 0.410 20 0 HCADRO C[C@@H](O)CN(C)C(=O)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000673153329 1080897645 /nfs/dbraw/zinc/89/76/45/1080897645.db2.gz ZSBLKRFVHCLRAS-CYBMUJFWSA-N 1 0 416.444 0.913 20 0 HCADRO C[C@H](O)CN(C)C(=O)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000673153330 1080897628 /nfs/dbraw/zinc/89/76/28/1080897628.db2.gz ZSBLKRFVHCLRAS-ZDUSSCGKSA-N 1 0 416.444 0.913 20 0 HCADRO C[NH+](C)CCn1ncc(C(=O)NC2CC(NS(C)(=O)=O)C2)c1-c1ccccc1 ZINC000673154675 1080897526 /nfs/dbraw/zinc/89/75/26/1080897526.db2.gz XTOMUNZYAZVVQM-UHFFFAOYSA-N 1 0 405.524 0.922 20 0 HCADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000673155536 1080897902 /nfs/dbraw/zinc/89/79/02/1080897902.db2.gz WFWWZASCAYDKOV-HNNXBMFYSA-N 1 0 411.524 0.897 20 0 HCADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000673155538 1080897838 /nfs/dbraw/zinc/89/78/38/1080897838.db2.gz WFWWZASCAYDKOV-OAHLLOKOSA-N 1 0 411.524 0.897 20 0 HCADRO O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673156422 1080897857 /nfs/dbraw/zinc/89/78/57/1080897857.db2.gz MYQAKTMTCJYNAI-MSOLQXFVSA-N 1 0 400.479 0.913 20 0 HCADRO O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673156423 1080897968 /nfs/dbraw/zinc/89/79/68/1080897968.db2.gz MYQAKTMTCJYNAI-QZTJIDSGSA-N 1 0 400.479 0.913 20 0 HCADRO O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673156424 1080897942 /nfs/dbraw/zinc/89/79/42/1080897942.db2.gz MYQAKTMTCJYNAI-ROUUACIJSA-N 1 0 400.479 0.913 20 0 HCADRO O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673156425 1080897914 /nfs/dbraw/zinc/89/79/14/1080897914.db2.gz MYQAKTMTCJYNAI-ZWKOTPCHSA-N 1 0 400.479 0.913 20 0 HCADRO CCn1nc2c(cc1=O)CN(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)CC2 ZINC000673158605 1080898164 /nfs/dbraw/zinc/89/81/64/1080898164.db2.gz WJOHEEGXEYUEFB-ALOPSCKCSA-N 1 0 416.526 0.415 20 0 HCADRO Cc1nc([C@@H]2COCCN2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)no1 ZINC000673158740 1080898522 /nfs/dbraw/zinc/89/85/22/1080898522.db2.gz HAMAPTHSBDCCOY-UYTSQGDYSA-N 1 0 406.487 0.545 20 0 HCADRO Cc1nc([C@H]2COCCN2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)no1 ZINC000673158741 1080898128 /nfs/dbraw/zinc/89/81/28/1080898128.db2.gz HAMAPTHSBDCCOY-WTXIUTQJSA-N 1 0 406.487 0.545 20 0 HCADRO CN(C(=O)NC[C@H]1CCCCN1S(C)(=O)=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673168336 1080898707 /nfs/dbraw/zinc/89/87/07/1080898707.db2.gz VDHXAYBPAJCRKP-MSOLQXFVSA-N 1 0 415.604 0.610 20 0 HCADRO CN(C(=O)NC[C@H]1CCCCN1S(C)(=O)=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673168337 1080898829 /nfs/dbraw/zinc/89/88/29/1080898829.db2.gz VDHXAYBPAJCRKP-QZTJIDSGSA-N 1 0 415.604 0.610 20 0 HCADRO CN(C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673168338 1080898791 /nfs/dbraw/zinc/89/87/91/1080898791.db2.gz VDHXAYBPAJCRKP-ROUUACIJSA-N 1 0 415.604 0.610 20 0 HCADRO CN(C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673168339 1080898845 /nfs/dbraw/zinc/89/88/45/1080898845.db2.gz VDHXAYBPAJCRKP-ZWKOTPCHSA-N 1 0 415.604 0.610 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)CC2)C1 ZINC000673168488 1080898727 /nfs/dbraw/zinc/89/87/27/1080898727.db2.gz YJBFXGDMVBRWJT-DLBZAZTESA-N 1 0 401.577 0.222 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@H]3CCCCN3S(C)(=O)=O)CC2)C1 ZINC000673168489 1080898818 /nfs/dbraw/zinc/89/88/18/1080898818.db2.gz YJBFXGDMVBRWJT-IAGOWNOFSA-N 1 0 401.577 0.222 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)CC2)C1 ZINC000673168490 1080898811 /nfs/dbraw/zinc/89/88/11/1080898811.db2.gz YJBFXGDMVBRWJT-IRXDYDNUSA-N 1 0 401.577 0.222 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3CCCCN3S(C)(=O)=O)CC2)C1 ZINC000673168491 1080898755 /nfs/dbraw/zinc/89/87/55/1080898755.db2.gz YJBFXGDMVBRWJT-SJORKVTESA-N 1 0 401.577 0.222 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCCn2cc(Br)cn2)cn1 ZINC000673170514 1080899065 /nfs/dbraw/zinc/89/90/65/1080899065.db2.gz MLOUAWVCWRCJLR-UHFFFAOYSA-N 1 0 412.292 0.549 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)CC2)C1 ZINC000673171153 1080899108 /nfs/dbraw/zinc/89/91/08/1080899108.db2.gz ALDIMHZSBQLDTK-CVEARBPZSA-N 1 0 407.481 0.671 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)CC2)C1 ZINC000673171158 1080899027 /nfs/dbraw/zinc/89/90/27/1080899027.db2.gz ALDIMHZSBQLDTK-HOTGVXAUSA-N 1 0 407.481 0.671 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)CC2)C1 ZINC000673171161 1080899095 /nfs/dbraw/zinc/89/90/95/1080899095.db2.gz ALDIMHZSBQLDTK-HZPDHXFCSA-N 1 0 407.481 0.671 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)CC2)C1 ZINC000673171164 1080898991 /nfs/dbraw/zinc/89/89/91/1080898991.db2.gz ALDIMHZSBQLDTK-JKSUJKDBSA-N 1 0 407.481 0.671 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673173595 1080899410 /nfs/dbraw/zinc/89/94/10/1080899410.db2.gz KURKBJKJQUOKCJ-GIVPXCGWSA-N 1 0 414.550 0.946 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673173596 1080899360 /nfs/dbraw/zinc/89/93/60/1080899360.db2.gz KURKBJKJQUOKCJ-HLAWJBBLSA-N 1 0 414.550 0.946 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673173597 1080899327 /nfs/dbraw/zinc/89/93/27/1080899327.db2.gz KURKBJKJQUOKCJ-HMXCVIKNSA-N 1 0 414.550 0.946 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673173598 1080899453 /nfs/dbraw/zinc/89/94/53/1080899453.db2.gz KURKBJKJQUOKCJ-NRSPTQNISA-N 1 0 414.550 0.946 20 0 HCADRO CN(C(=O)NC1CCC2(CC1)NC(=O)NC2=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673173725 1080899072 /nfs/dbraw/zinc/89/90/72/1080899072.db2.gz FGCXAEUBNQEJCO-CZDRUDQFSA-N 1 0 406.531 0.317 20 0 HCADRO CN(C(=O)NC1CCC2(CC1)NC(=O)NC2=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673173726 1080899305 /nfs/dbraw/zinc/89/93/05/1080899305.db2.gz FGCXAEUBNQEJCO-FXUPRZHBSA-N 1 0 406.531 0.317 20 0 HCADRO NC(=O)C[C@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000673174640 1080900579 /nfs/dbraw/zinc/90/05/79/1080900579.db2.gz MNEDUZRAYDGZFK-MSOLQXFVSA-N 1 0 424.505 0.993 20 0 HCADRO NC(=O)C[C@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000673174647 1080900733 /nfs/dbraw/zinc/90/07/33/1080900733.db2.gz MNEDUZRAYDGZFK-QZTJIDSGSA-N 1 0 424.505 0.993 20 0 HCADRO NC(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000673174648 1080900509 /nfs/dbraw/zinc/90/05/09/1080900509.db2.gz MNEDUZRAYDGZFK-ROUUACIJSA-N 1 0 424.505 0.993 20 0 HCADRO NC(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000673174649 1080901514 /nfs/dbraw/zinc/90/15/14/1080901514.db2.gz MNEDUZRAYDGZFK-ZWKOTPCHSA-N 1 0 424.505 0.993 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)c(C)c2)CC1 ZINC000673174717 1080899857 /nfs/dbraw/zinc/89/98/57/1080899857.db2.gz FXWABWOETQKNSN-INIZCTEOSA-N 1 0 401.511 0.799 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)c(C)c2)CC1 ZINC000673174718 1080899944 /nfs/dbraw/zinc/89/99/44/1080899944.db2.gz FXWABWOETQKNSN-MRXNPFEDSA-N 1 0 401.511 0.799 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)cc1NC(=O)CC[NH+](C)C ZINC000673175431 1080904275 /nfs/dbraw/zinc/90/42/75/1080904275.db2.gz GKTXIXLTSZHDSL-AWEZNQCLSA-N 1 0 403.483 0.548 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)cc1NC(=O)CC[NH+](C)C ZINC000673175432 1080904194 /nfs/dbraw/zinc/90/41/94/1080904194.db2.gz GKTXIXLTSZHDSL-CQSZACIVSA-N 1 0 403.483 0.548 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000673175566 1080903985 /nfs/dbraw/zinc/90/39/85/1080903985.db2.gz JRHUGVVLBNSPFG-HNNXBMFYSA-N 1 0 417.510 0.500 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[C@H](CC(N)=O)C1 ZINC000673175571 1080903841 /nfs/dbraw/zinc/90/38/41/1080903841.db2.gz JRHUGVVLBNSPFG-OAHLLOKOSA-N 1 0 417.510 0.500 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000673175673 1080904149 /nfs/dbraw/zinc/90/41/49/1080904149.db2.gz YRGSHROKZJPFIR-KRWDZBQOSA-N 1 0 401.511 0.487 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000673175687 1080903223 /nfs/dbraw/zinc/90/32/23/1080903223.db2.gz YRGSHROKZJPFIR-QGZVFWFLSA-N 1 0 401.511 0.487 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)c1 ZINC000673175964 1080903124 /nfs/dbraw/zinc/90/31/24/1080903124.db2.gz CEADLJKUBRVQBA-AWEZNQCLSA-N 1 0 403.483 0.629 20 0 HCADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)c1 ZINC000673175965 1080903429 /nfs/dbraw/zinc/90/34/29/1080903429.db2.gz CEADLJKUBRVQBA-CQSZACIVSA-N 1 0 403.483 0.629 20 0 HCADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)c2)CC1 ZINC000673176263 1080906212 /nfs/dbraw/zinc/90/62/12/1080906212.db2.gz MGDBXPHHTLWOTK-INIZCTEOSA-N 1 0 401.511 0.879 20 0 HCADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)c2)CC1 ZINC000673176265 1080906473 /nfs/dbraw/zinc/90/64/73/1080906473.db2.gz MGDBXPHHTLWOTK-MRXNPFEDSA-N 1 0 401.511 0.879 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)c1 ZINC000673176352 1080906400 /nfs/dbraw/zinc/90/64/00/1080906400.db2.gz ORLIYCAAMFYNGR-HNNXBMFYSA-N 1 0 417.510 0.421 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)c1 ZINC000673176354 1080906672 /nfs/dbraw/zinc/90/66/72/1080906672.db2.gz ORLIYCAAMFYNGR-OAHLLOKOSA-N 1 0 417.510 0.421 20 0 HCADRO NC(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1 ZINC000673176386 1080906509 /nfs/dbraw/zinc/90/65/09/1080906509.db2.gz RIJWIDHJEVVRHJ-KRWDZBQOSA-N 1 0 413.522 0.881 20 0 HCADRO NC(=O)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1 ZINC000673176389 1080906335 /nfs/dbraw/zinc/90/63/35/1080906335.db2.gz RIJWIDHJEVVRHJ-QGZVFWFLSA-N 1 0 413.522 0.881 20 0 HCADRO NC(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000673176570 1080905387 /nfs/dbraw/zinc/90/53/87/1080905387.db2.gz WYOAMJQNDUSSIN-INIZCTEOSA-N 1 0 404.536 0.940 20 0 HCADRO NC(=O)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000673176571 1080905791 /nfs/dbraw/zinc/90/57/91/1080905791.db2.gz WYOAMJQNDUSSIN-MRXNPFEDSA-N 1 0 404.536 0.940 20 0 HCADRO Cn1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C(F)(F)F)n1 ZINC000673185954 1080913138 /nfs/dbraw/zinc/91/31/38/1080913138.db2.gz RWWGTKUZTKHHJC-AWEZNQCLSA-N 1 0 416.448 0.294 20 0 HCADRO Cn1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C(F)(F)F)n1 ZINC000673185955 1080913347 /nfs/dbraw/zinc/91/33/47/1080913347.db2.gz RWWGTKUZTKHHJC-CQSZACIVSA-N 1 0 416.448 0.294 20 0 HCADRO CN(C)C(=O)c1cccc(CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000673200394 1080918572 /nfs/dbraw/zinc/91/85/72/1080918572.db2.gz UJBFWPPSUUXZHF-UHFFFAOYSA-N 1 0 409.490 0.791 20 0 HCADRO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000673214227 1080922358 /nfs/dbraw/zinc/92/23/58/1080922358.db2.gz CIXVBJCCMLIYGQ-MSOLQXFVSA-N 1 0 422.570 0.758 20 0 HCADRO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000673214238 1080922646 /nfs/dbraw/zinc/92/26/46/1080922646.db2.gz CIXVBJCCMLIYGQ-QZTJIDSGSA-N 1 0 422.570 0.758 20 0 HCADRO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000673214240 1080922508 /nfs/dbraw/zinc/92/25/08/1080922508.db2.gz CIXVBJCCMLIYGQ-ROUUACIJSA-N 1 0 422.570 0.758 20 0 HCADRO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000673214243 1080922285 /nfs/dbraw/zinc/92/22/85/1080922285.db2.gz CIXVBJCCMLIYGQ-ZWKOTPCHSA-N 1 0 422.570 0.758 20 0 HCADRO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000673220353 1080931290 /nfs/dbraw/zinc/93/12/90/1080931290.db2.gz SOXJLKNGJUBMHT-DOTOQJQBSA-N 1 0 410.559 0.661 20 0 HCADRO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000673220354 1080931243 /nfs/dbraw/zinc/93/12/43/1080931243.db2.gz SOXJLKNGJUBMHT-NVXWUHKLSA-N 1 0 410.559 0.661 20 0 HCADRO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000673220355 1080931474 /nfs/dbraw/zinc/93/14/74/1080931474.db2.gz SOXJLKNGJUBMHT-RDJZCZTQSA-N 1 0 410.559 0.661 20 0 HCADRO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000673220356 1080931402 /nfs/dbraw/zinc/93/14/02/1080931402.db2.gz SOXJLKNGJUBMHT-WBVHZDCISA-N 1 0 410.559 0.661 20 0 HCADRO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000673222671 1080931977 /nfs/dbraw/zinc/93/19/77/1080931977.db2.gz UJCFPOASPATNIB-DLBZAZTESA-N 1 0 424.586 0.860 20 0 HCADRO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000673222672 1080931755 /nfs/dbraw/zinc/93/17/55/1080931755.db2.gz UJCFPOASPATNIB-IAGOWNOFSA-N 1 0 424.586 0.860 20 0 HCADRO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000673222673 1080932113 /nfs/dbraw/zinc/93/21/13/1080932113.db2.gz UJCFPOASPATNIB-IRXDYDNUSA-N 1 0 424.586 0.860 20 0 HCADRO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000673222674 1080932025 /nfs/dbraw/zinc/93/20/25/1080932025.db2.gz UJCFPOASPATNIB-SJORKVTESA-N 1 0 424.586 0.860 20 0 HCADRO CN(C(=O)NCc1ccccc1S(N)(=O)=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673223573 1080932150 /nfs/dbraw/zinc/93/21/50/1080932150.db2.gz JAYDMQUOPQDUCP-KRWDZBQOSA-N 1 0 409.556 0.644 20 0 HCADRO CN(C(=O)NCc1ccccc1S(N)(=O)=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673223576 1080931878 /nfs/dbraw/zinc/93/18/78/1080931878.db2.gz JAYDMQUOPQDUCP-QGZVFWFLSA-N 1 0 409.556 0.644 20 0 HCADRO COC1CC[NH+](CCNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000673226219 1080927956 /nfs/dbraw/zinc/92/79/56/1080927956.db2.gz KQRFLKWSONKFCB-INIZCTEOSA-N 1 0 410.540 0.860 20 0 HCADRO CC1(C)CN(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC[N@@H+]1CCO ZINC000673226320 1080928721 /nfs/dbraw/zinc/92/87/21/1080928721.db2.gz MTPAWKUDEDETPD-INIZCTEOSA-N 1 0 410.540 0.548 20 0 HCADRO O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673226494 1080928234 /nfs/dbraw/zinc/92/82/34/1080928234.db2.gz VPJKNNJLPQITDI-QXAKKESOSA-N 1 0 422.551 0.690 20 0 HCADRO O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673226495 1080928042 /nfs/dbraw/zinc/92/80/42/1080928042.db2.gz VPJKNNJLPQITDI-UHOSZYNNSA-N 1 0 422.551 0.690 20 0 HCADRO O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673226496 1080928184 /nfs/dbraw/zinc/92/81/84/1080928184.db2.gz VPJKNNJLPQITDI-WDSOQIARSA-N 1 0 422.551 0.690 20 0 HCADRO O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673226497 1080928427 /nfs/dbraw/zinc/92/84/27/1080928427.db2.gz VPJKNNJLPQITDI-YTQUADARSA-N 1 0 422.551 0.690 20 0 HCADRO CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673230206 1080935045 /nfs/dbraw/zinc/93/50/45/1080935045.db2.gz ZEUFYTXHHNVRAG-INDMIFKZSA-N 1 0 406.571 0.933 20 0 HCADRO CN(C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673230207 1080934749 /nfs/dbraw/zinc/93/47/49/1080934749.db2.gz ZEUFYTXHHNVRAG-MANSERQUSA-N 1 0 406.571 0.933 20 0 HCADRO CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673230208 1080935269 /nfs/dbraw/zinc/93/52/69/1080935269.db2.gz ZEUFYTXHHNVRAG-OKYOBFRVSA-N 1 0 406.571 0.933 20 0 HCADRO CN(C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673230209 1080935516 /nfs/dbraw/zinc/93/55/16/1080935516.db2.gz ZEUFYTXHHNVRAG-WJFTUGDTSA-N 1 0 406.571 0.933 20 0 HCADRO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673233470 1080936896 /nfs/dbraw/zinc/93/68/96/1080936896.db2.gz XVTYAUURWDXPBC-CTNGQTDRSA-N 1 0 416.566 0.987 20 0 HCADRO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673233471 1080936550 /nfs/dbraw/zinc/93/65/50/1080936550.db2.gz XVTYAUURWDXPBC-FPOVZHCZSA-N 1 0 416.566 0.987 20 0 HCADRO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673233472 1080936772 /nfs/dbraw/zinc/93/67/72/1080936772.db2.gz XVTYAUURWDXPBC-PZJWPPBQSA-N 1 0 416.566 0.987 20 0 HCADRO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673233473 1080937163 /nfs/dbraw/zinc/93/71/63/1080937163.db2.gz XVTYAUURWDXPBC-TZIWHRDSSA-N 1 0 416.566 0.987 20 0 HCADRO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000673234217 1080936633 /nfs/dbraw/zinc/93/66/33/1080936633.db2.gz QGVMCCGKZXLVAC-PMACEKPBSA-N 1 0 402.539 0.599 20 0 HCADRO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000673234218 1080937105 /nfs/dbraw/zinc/93/71/05/1080937105.db2.gz QGVMCCGKZXLVAC-UXHICEINSA-N 1 0 402.539 0.599 20 0 HCADRO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673234219 1080936726 /nfs/dbraw/zinc/93/67/26/1080936726.db2.gz QGVMCCGKZXLVAC-VQTJNVASSA-N 1 0 402.539 0.599 20 0 HCADRO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673234220 1080937139 /nfs/dbraw/zinc/93/71/39/1080937139.db2.gz QGVMCCGKZXLVAC-WOJBJXKFSA-N 1 0 402.539 0.599 20 0 HCADRO C[C@@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000673236784 1080938973 /nfs/dbraw/zinc/93/89/73/1080938973.db2.gz KNWOVUGJYFDRAW-AEFFLSMTSA-N 1 0 409.556 0.783 20 0 HCADRO C[C@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000673236785 1080939256 /nfs/dbraw/zinc/93/92/56/1080939256.db2.gz KNWOVUGJYFDRAW-FUHWJXTLSA-N 1 0 409.556 0.783 20 0 HCADRO C[C@@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000673236786 1080939134 /nfs/dbraw/zinc/93/91/34/1080939134.db2.gz KNWOVUGJYFDRAW-SJLPKXTDSA-N 1 0 409.556 0.783 20 0 HCADRO C[C@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000673236787 1080938722 /nfs/dbraw/zinc/93/87/22/1080938722.db2.gz KNWOVUGJYFDRAW-WMZOPIPTSA-N 1 0 409.556 0.783 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Oc1ccc(F)cc1 ZINC000673246409 1080941143 /nfs/dbraw/zinc/94/11/43/1080941143.db2.gz BJCSPHLMIWLMLQ-AEFFLSMTSA-N 1 0 406.502 0.948 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Oc1ccc(F)cc1 ZINC000673246411 1080941810 /nfs/dbraw/zinc/94/18/10/1080941810.db2.gz BJCSPHLMIWLMLQ-FUHWJXTLSA-N 1 0 406.502 0.948 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Oc1ccc(F)cc1 ZINC000673246413 1080941584 /nfs/dbraw/zinc/94/15/84/1080941584.db2.gz BJCSPHLMIWLMLQ-SJLPKXTDSA-N 1 0 406.502 0.948 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Oc1ccc(F)cc1 ZINC000673246420 1080941964 /nfs/dbraw/zinc/94/19/64/1080941964.db2.gz BJCSPHLMIWLMLQ-WMZOPIPTSA-N 1 0 406.502 0.948 20 0 HCADRO COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000673247215 1080942259 /nfs/dbraw/zinc/94/22/59/1080942259.db2.gz CYNRVEYKFJJYQY-MSOLQXFVSA-N 1 0 418.538 0.817 20 0 HCADRO COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000673247216 1080942406 /nfs/dbraw/zinc/94/24/06/1080942406.db2.gz CYNRVEYKFJJYQY-QZTJIDSGSA-N 1 0 418.538 0.817 20 0 HCADRO COc1cccc(O[C@@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000673247219 1080946489 /nfs/dbraw/zinc/94/64/89/1080946489.db2.gz CYNRVEYKFJJYQY-ROUUACIJSA-N 1 0 418.538 0.817 20 0 HCADRO COc1cccc(O[C@@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000673247224 1080946625 /nfs/dbraw/zinc/94/66/25/1080946625.db2.gz CYNRVEYKFJJYQY-ZWKOTPCHSA-N 1 0 418.538 0.817 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Oc1cccc(F)c1 ZINC000673249404 1080944026 /nfs/dbraw/zinc/94/40/26/1080944026.db2.gz FPWCSQHFAIDQLZ-AEFFLSMTSA-N 1 0 406.502 0.948 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Oc1cccc(F)c1 ZINC000673249405 1080943791 /nfs/dbraw/zinc/94/37/91/1080943791.db2.gz FPWCSQHFAIDQLZ-FUHWJXTLSA-N 1 0 406.502 0.948 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Oc1cccc(F)c1 ZINC000673249406 1080943950 /nfs/dbraw/zinc/94/39/50/1080943950.db2.gz FPWCSQHFAIDQLZ-SJLPKXTDSA-N 1 0 406.502 0.948 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Oc1cccc(F)c1 ZINC000673249407 1080943444 /nfs/dbraw/zinc/94/34/44/1080943444.db2.gz FPWCSQHFAIDQLZ-WMZOPIPTSA-N 1 0 406.502 0.948 20 0 HCADRO COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000673250320 1080944735 /nfs/dbraw/zinc/94/47/35/1080944735.db2.gz YPEWTYGVAAVJGW-MSOLQXFVSA-N 1 0 418.538 0.817 20 0 HCADRO COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673250321 1080944478 /nfs/dbraw/zinc/94/44/78/1080944478.db2.gz YPEWTYGVAAVJGW-QZTJIDSGSA-N 1 0 418.538 0.817 20 0 HCADRO COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000673250322 1080944617 /nfs/dbraw/zinc/94/46/17/1080944617.db2.gz YPEWTYGVAAVJGW-ROUUACIJSA-N 1 0 418.538 0.817 20 0 HCADRO COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673250323 1080944806 /nfs/dbraw/zinc/94/48/06/1080944806.db2.gz YPEWTYGVAAVJGW-ZWKOTPCHSA-N 1 0 418.538 0.817 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000673251620 1080945417 /nfs/dbraw/zinc/94/54/17/1080945417.db2.gz UZTSSKYBDIPHIF-GOSISDBHSA-N 1 0 418.538 0.891 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 ZINC000673251621 1080945172 /nfs/dbraw/zinc/94/51/72/1080945172.db2.gz UZTSSKYBDIPHIF-SFHVURJKSA-N 1 0 418.538 0.891 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Oc1ccccc1F ZINC000673252057 1080944839 /nfs/dbraw/zinc/94/48/39/1080944839.db2.gz YDENWMRNBAMZAQ-DLBZAZTESA-N 1 0 406.502 0.948 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Oc1ccccc1F ZINC000673252058 1080944518 /nfs/dbraw/zinc/94/45/18/1080944518.db2.gz YDENWMRNBAMZAQ-IAGOWNOFSA-N 1 0 406.502 0.948 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Oc1ccccc1F ZINC000673252059 1080944707 /nfs/dbraw/zinc/94/47/07/1080944707.db2.gz YDENWMRNBAMZAQ-IRXDYDNUSA-N 1 0 406.502 0.948 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Oc1ccccc1F ZINC000673252060 1080944414 /nfs/dbraw/zinc/94/44/14/1080944414.db2.gz YDENWMRNBAMZAQ-SJORKVTESA-N 1 0 406.502 0.948 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 ZINC000673252319 1080946443 /nfs/dbraw/zinc/94/64/43/1080946443.db2.gz MBRQGKASKKWACS-GOSISDBHSA-N 1 0 418.538 0.891 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccccc2C)CC1 ZINC000673252320 1080946727 /nfs/dbraw/zinc/94/67/27/1080946727.db2.gz MBRQGKASKKWACS-SFHVURJKSA-N 1 0 418.538 0.891 20 0 HCADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673253683 1080948225 /nfs/dbraw/zinc/94/82/25/1080948225.db2.gz TYNCMDOGIWLRLP-CRAIPNDOSA-N 1 0 404.559 0.323 20 0 HCADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673253684 1080948047 /nfs/dbraw/zinc/94/80/47/1080948047.db2.gz TYNCMDOGIWLRLP-MAUKXSAKSA-N 1 0 404.559 0.323 20 0 HCADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000673253685 1080948368 /nfs/dbraw/zinc/94/83/68/1080948368.db2.gz TYNCMDOGIWLRLP-QAPCUYQASA-N 1 0 404.559 0.323 20 0 HCADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000673253687 1080948247 /nfs/dbraw/zinc/94/82/47/1080948247.db2.gz TYNCMDOGIWLRLP-YJBOKZPZSA-N 1 0 404.559 0.323 20 0 HCADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673254834 1080948814 /nfs/dbraw/zinc/94/88/14/1080948814.db2.gz LPAGEZUMSBUKGT-BEFAXECRSA-N 1 0 418.586 0.711 20 0 HCADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673254835 1080949133 /nfs/dbraw/zinc/94/91/33/1080949133.db2.gz LPAGEZUMSBUKGT-DNVCBOLYSA-N 1 0 418.586 0.711 20 0 HCADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673254836 1080949303 /nfs/dbraw/zinc/94/93/03/1080949303.db2.gz LPAGEZUMSBUKGT-HNAYVOBHSA-N 1 0 418.586 0.711 20 0 HCADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673254837 1080949038 /nfs/dbraw/zinc/94/90/38/1080949038.db2.gz LPAGEZUMSBUKGT-KXBFYZLASA-N 1 0 418.586 0.711 20 0 HCADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000673254900 1080949108 /nfs/dbraw/zinc/94/91/08/1080949108.db2.gz SLAPQUHXLAPIBC-HNNXBMFYSA-N 1 0 405.543 0.655 20 0 HCADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000673254901 1080948780 /nfs/dbraw/zinc/94/87/80/1080948780.db2.gz SLAPQUHXLAPIBC-OAHLLOKOSA-N 1 0 405.543 0.655 20 0 HCADRO Cc1ccc(CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)c(N2CCCC2)n1 ZINC000673254981 1080948893 /nfs/dbraw/zinc/94/88/93/1080948893.db2.gz BVKINQLBYDQKAI-UHFFFAOYSA-N 1 0 416.570 0.702 20 0 HCADRO Cc1ccc(CNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c(N2CCCC2)n1 ZINC000673256423 1080951031 /nfs/dbraw/zinc/95/10/31/1080951031.db2.gz WSTNIDWQKNBQTG-UHFFFAOYSA-N 1 0 417.554 0.912 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 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/nfs/dbraw/zinc/96/27/49/1080962749.db2.gz JEGNGWZOVATJTB-FQEVSTJZSA-N 1 0 409.531 0.448 20 0 HCADRO CC(C)[NH+](CCCNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C(C)C ZINC000673269988 1080962327 /nfs/dbraw/zinc/96/23/27/1080962327.db2.gz JEGNGWZOVATJTB-HXUWFJFHSA-N 1 0 409.531 0.448 20 0 HCADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1=O ZINC000673274955 1080960851 /nfs/dbraw/zinc/96/08/51/1080960851.db2.gz LZNUNWLGMTUNTD-INIZCTEOSA-N 1 0 418.542 0.266 20 0 HCADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1=O ZINC000673274960 1080960722 /nfs/dbraw/zinc/96/07/22/1080960722.db2.gz LZNUNWLGMTUNTD-MRXNPFEDSA-N 1 0 418.542 0.266 20 0 HCADRO CC(C)(CNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1)C[NH+]1CCCC1 ZINC000673275291 1080961352 /nfs/dbraw/zinc/96/13/52/1080961352.db2.gz FGSPABAKURWIIN-UHFFFAOYSA-N 1 0 401.511 0.604 20 0 HCADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)C[NH+]1CCCC1 ZINC000673275364 1080961931 /nfs/dbraw/zinc/96/19/31/1080961931.db2.gz 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C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2(Cc3ccccc3)CC2)CC1 ZINC000673276136 1080960869 /nfs/dbraw/zinc/96/08/69/1080960869.db2.gz BMSLKICDCKIHGP-LJQANCHMSA-N 1 0 412.534 0.891 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000673276183 1080960957 /nfs/dbraw/zinc/96/09/57/1080960957.db2.gz PXAQUMQZMHNYRL-HZPDHXFCSA-N 1 0 402.561 0.153 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000673276184 1080960924 /nfs/dbraw/zinc/96/09/24/1080960924.db2.gz PXAQUMQZMHNYRL-JKSUJKDBSA-N 1 0 402.561 0.153 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000673276190 1080960986 /nfs/dbraw/zinc/96/09/86/1080960986.db2.gz RBUKGMWDOZSODN-CVEARBPZSA-N 1 0 418.542 0.841 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000673276191 1080960629 /nfs/dbraw/zinc/96/06/29/1080960629.db2.gz RBUKGMWDOZSODN-HOTGVXAUSA-N 1 0 418.542 0.841 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000673276192 1080960339 /nfs/dbraw/zinc/96/03/39/1080960339.db2.gz RBUKGMWDOZSODN-HZPDHXFCSA-N 1 0 418.542 0.841 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000673276193 1080960767 /nfs/dbraw/zinc/96/07/67/1080960767.db2.gz RBUKGMWDOZSODN-JKSUJKDBSA-N 1 0 418.542 0.841 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000673276221 1080961951 /nfs/dbraw/zinc/96/19/51/1080961951.db2.gz YHVPSBGLFGMGJQ-GOSISDBHSA-N 1 0 415.538 0.993 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000673276222 1080961742 /nfs/dbraw/zinc/96/17/42/1080961742.db2.gz YHVPSBGLFGMGJQ-SFHVURJKSA-N 1 0 415.538 0.993 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000673276299 1080967798 /nfs/dbraw/zinc/96/77/98/1080967798.db2.gz OQUCBSONVUBGMP-GOSISDBHSA-N 1 0 409.575 0.282 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000673276300 1080968021 /nfs/dbraw/zinc/96/80/21/1080968021.db2.gz OQUCBSONVUBGMP-SFHVURJKSA-N 1 0 409.575 0.282 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000673276353 1080967246 /nfs/dbraw/zinc/96/72/46/1080967246.db2.gz YBRCXFNQPPTSNY-HRAATJIYSA-N 1 0 421.542 0.450 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000673276355 1080967688 /nfs/dbraw/zinc/96/76/88/1080967688.db2.gz YBRCXFNQPPTSNY-IERDGZPVSA-N 1 0 421.542 0.450 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000673276356 1080967953 /nfs/dbraw/zinc/96/79/53/1080967953.db2.gz YBRCXFNQPPTSNY-IIBYNOLFSA-N 1 0 421.542 0.450 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000673276358 1080968585 /nfs/dbraw/zinc/96/85/85/1080968585.db2.gz YBRCXFNQPPTSNY-KKSFZXQISA-N 1 0 421.542 0.450 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000673276414 1080968666 /nfs/dbraw/zinc/96/86/66/1080968666.db2.gz ZJPDBOVSEZAPDM-MSOLQXFVSA-N 1 0 404.559 0.862 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000673276415 1080968345 /nfs/dbraw/zinc/96/83/45/1080968345.db2.gz ZJPDBOVSEZAPDM-QZTJIDSGSA-N 1 0 404.559 0.862 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000673276416 1080968484 /nfs/dbraw/zinc/96/84/84/1080968484.db2.gz ZJPDBOVSEZAPDM-ROUUACIJSA-N 1 0 404.559 0.862 20 0 HCADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000673276418 1080967994 /nfs/dbraw/zinc/96/79/94/1080967994.db2.gz ZJPDBOVSEZAPDM-ZWKOTPCHSA-N 1 0 404.559 0.862 20 0 HCADRO CC(C)C(NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)C(C)C ZINC000673278901 1080968291 /nfs/dbraw/zinc/96/82/91/1080968291.db2.gz AMASZDZRLZZPCC-UHFFFAOYSA-N 1 0 418.542 0.759 20 0 HCADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)C1 ZINC000673280202 1080968760 /nfs/dbraw/zinc/96/87/60/1080968760.db2.gz AUTYALDFWIYCQZ-KVSKMBFKSA-N 1 0 416.522 0.679 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000673281032 1080969839 /nfs/dbraw/zinc/96/98/39/1080969839.db2.gz AWNULWLZNGNODM-DUXKGJEZSA-N 1 0 413.566 0.774 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000673281033 1080969181 /nfs/dbraw/zinc/96/91/81/1080969181.db2.gz AWNULWLZNGNODM-JRGCBEDISA-N 1 0 413.566 0.774 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000673281034 1080969551 /nfs/dbraw/zinc/96/95/51/1080969551.db2.gz AWNULWLZNGNODM-QMMLZNLJSA-N 1 0 413.566 0.774 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000673281035 1080970737 /nfs/dbraw/zinc/97/07/37/1080970737.db2.gz AWNULWLZNGNODM-UIFIKXQLSA-N 1 0 413.566 0.774 20 0 HCADRO 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CN(C(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673281755 1080964920 /nfs/dbraw/zinc/96/49/20/1080964920.db2.gz LGEMYCRHHILKRI-TZIWHRDSSA-N 1 0 413.566 0.916 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000673282046 1080964327 /nfs/dbraw/zinc/96/43/27/1080964327.db2.gz DHHCEFRCIPRXQF-FQEVSTJZSA-N 1 0 401.555 0.774 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000673282047 1080965094 /nfs/dbraw/zinc/96/50/94/1080965094.db2.gz DHHCEFRCIPRXQF-HXUWFJFHSA-N 1 0 401.555 0.774 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000673282166 1080963484 /nfs/dbraw/zinc/96/34/84/1080963484.db2.gz MYEDUEKEZLIEPB-FQEVSTJZSA-N 1 0 400.523 0.860 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000673282170 1080964628 /nfs/dbraw/zinc/96/46/28/1080964628.db2.gz MYEDUEKEZLIEPB-HXUWFJFHSA-N 1 0 400.523 0.860 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000673282489 1080965853 /nfs/dbraw/zinc/96/58/53/1080965853.db2.gz FDKXWOWITSPPOH-CTNGQTDRSA-N 1 0 413.566 0.918 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000673282500 1080965659 /nfs/dbraw/zinc/96/56/59/1080965659.db2.gz FDKXWOWITSPPOH-FPOVZHCZSA-N 1 0 413.566 0.918 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000673282502 1080966528 /nfs/dbraw/zinc/96/65/28/1080966528.db2.gz FDKXWOWITSPPOH-PZJWPPBQSA-N 1 0 413.566 0.918 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000673282506 1080966104 /nfs/dbraw/zinc/96/61/04/1080966104.db2.gz FDKXWOWITSPPOH-TZIWHRDSSA-N 1 0 413.566 0.918 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000673282964 1080964258 /nfs/dbraw/zinc/96/42/58/1080964258.db2.gz HOMAAYVELCMOCS-FQEVSTJZSA-N 1 0 400.523 0.860 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000673282966 1080965969 /nfs/dbraw/zinc/96/59/69/1080965969.db2.gz HOMAAYVELCMOCS-HXUWFJFHSA-N 1 0 400.523 0.860 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000673283690 1080967330 /nfs/dbraw/zinc/96/73/30/1080967330.db2.gz UPPLUCCLWOIZEC-MOPGFXCFSA-N 1 0 413.522 0.054 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000673283697 1080967438 /nfs/dbraw/zinc/96/74/38/1080967438.db2.gz UPPLUCCLWOIZEC-OALUTQOASA-N 1 0 413.522 0.054 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000673283699 1080967105 /nfs/dbraw/zinc/96/71/05/1080967105.db2.gz UPPLUCCLWOIZEC-RBUKOAKNSA-N 1 0 413.522 0.054 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000673283701 1080967547 /nfs/dbraw/zinc/96/75/47/1080967547.db2.gz UPPLUCCLWOIZEC-RTBURBONSA-N 1 0 413.522 0.054 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CN(C)Cc4ccccc43)CC2)CC1 ZINC000673285222 1080974212 /nfs/dbraw/zinc/97/42/12/1080974212.db2.gz IBHGJOOIRVGNBU-NRFANRHFSA-N 1 0 413.566 0.775 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CN(C)Cc4ccccc43)CC2)CC1 ZINC000673285228 1080974193 /nfs/dbraw/zinc/97/41/93/1080974193.db2.gz IBHGJOOIRVGNBU-OAQYLSRUSA-N 1 0 413.566 0.775 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000673286126 1080974144 /nfs/dbraw/zinc/97/41/44/1080974144.db2.gz RKYCWMIHALFULL-FXAWDEMLSA-N 1 0 400.523 0.860 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000673286128 1080974293 /nfs/dbraw/zinc/97/42/93/1080974293.db2.gz RKYCWMIHALFULL-PXNSSMCTSA-N 1 0 400.523 0.860 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000673287741 1080971891 /nfs/dbraw/zinc/97/18/91/1080971891.db2.gz DCOZYPDGOHIJKT-IBGZPJMESA-N 1 0 413.522 0.056 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000673287742 1080971966 /nfs/dbraw/zinc/97/19/66/1080971966.db2.gz DCOZYPDGOHIJKT-LJQANCHMSA-N 1 0 413.522 0.056 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000673288313 1080972372 /nfs/dbraw/zinc/97/23/72/1080972372.db2.gz JUYWWCAZVUNVPY-IBGZPJMESA-N 1 0 413.522 0.056 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000673288314 1080972471 /nfs/dbraw/zinc/97/24/71/1080972471.db2.gz JUYWWCAZVUNVPY-LJQANCHMSA-N 1 0 413.522 0.056 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000673288648 1080972732 /nfs/dbraw/zinc/97/27/32/1080972732.db2.gz OHYHUHSROKVISC-CABCVRRESA-N 1 0 412.412 0.959 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000673288649 1080972563 /nfs/dbraw/zinc/97/25/63/1080972563.db2.gz OHYHUHSROKVISC-GJZGRUSLSA-N 1 0 412.412 0.959 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000673288650 1080972533 /nfs/dbraw/zinc/97/25/33/1080972533.db2.gz OHYHUHSROKVISC-HUUCEWRRSA-N 1 0 412.412 0.959 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000673288651 1080972761 /nfs/dbraw/zinc/97/27/61/1080972761.db2.gz OHYHUHSROKVISC-LSDHHAIUSA-N 1 0 412.412 0.959 20 0 HCADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000673289187 1080972590 /nfs/dbraw/zinc/97/25/90/1080972590.db2.gz RKYCWMIHALFULL-XLIONFOSSA-N 1 0 400.523 0.860 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000673289190 1080972426 /nfs/dbraw/zinc/97/24/26/1080972426.db2.gz RKYCWMIHALFULL-YLJYHZDGSA-N 1 0 400.523 0.860 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000673290120 1080973467 /nfs/dbraw/zinc/97/34/67/1080973467.db2.gz ZRJYIGKHFPQVNE-IBGZPJMESA-N 1 0 415.538 0.302 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000673290121 1080973212 /nfs/dbraw/zinc/97/32/12/1080973212.db2.gz ZRJYIGKHFPQVNE-LJQANCHMSA-N 1 0 415.538 0.302 20 0 HCADRO COCC(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000673292653 1080977373 /nfs/dbraw/zinc/97/73/73/1080977373.db2.gz CTHBQSNSTSJANY-UHFFFAOYSA-N 1 0 408.543 0.466 20 0 HCADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000673292961 1080976981 /nfs/dbraw/zinc/97/69/81/1080976981.db2.gz GXCJJGUATXGUGG-UHFFFAOYSA-N 1 0 414.572 0.157 20 0 HCADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000673293005 1080977099 /nfs/dbraw/zinc/97/70/99/1080977099.db2.gz LCNCIBKZLOYUIL-IBGZPJMESA-N 1 0 424.586 0.300 20 0 HCADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000673293006 1080977046 /nfs/dbraw/zinc/97/70/46/1080977046.db2.gz LCNCIBKZLOYUIL-LJQANCHMSA-N 1 0 424.586 0.300 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000673296232 1080979367 /nfs/dbraw/zinc/97/93/67/1080979367.db2.gz YKTQRBKRDWQUKZ-INIZCTEOSA-N 1 0 424.567 1.000 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000673296233 1080979238 /nfs/dbraw/zinc/97/92/38/1080979238.db2.gz YKTQRBKRDWQUKZ-MRXNPFEDSA-N 1 0 424.567 1.000 20 0 HCADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000673300267 1080978767 /nfs/dbraw/zinc/97/87/67/1080978767.db2.gz OJHKLXYWWNMFQS-INIZCTEOSA-N 1 0 410.478 0.529 20 0 HCADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000673300270 1080978652 /nfs/dbraw/zinc/97/86/52/1080978652.db2.gz OJHKLXYWWNMFQS-MRXNPFEDSA-N 1 0 410.478 0.529 20 0 HCADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000673300489 1080978558 /nfs/dbraw/zinc/97/85/58/1080978558.db2.gz DEDASXHZMWIOGT-GOSISDBHSA-N 1 0 415.538 0.880 20 0 HCADRO O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000673300496 1080978793 /nfs/dbraw/zinc/97/87/93/1080978793.db2.gz DEDASXHZMWIOGT-SFHVURJKSA-N 1 0 415.538 0.880 20 0 HCADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000673300696 1080982140 /nfs/dbraw/zinc/98/21/40/1080982140.db2.gz PPVXVNZYIWXXEG-GOSISDBHSA-N 1 0 401.511 0.347 20 0 HCADRO O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000673300697 1080982232 /nfs/dbraw/zinc/98/22/32/1080982232.db2.gz PPVXVNZYIWXXEG-SFHVURJKSA-N 1 0 401.511 0.347 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000673301090 1080982117 /nfs/dbraw/zinc/98/21/17/1080982117.db2.gz ALRBVDQLICRGAW-KRWDZBQOSA-N 1 0 402.543 0.261 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000673301101 1080982182 /nfs/dbraw/zinc/98/21/82/1080982182.db2.gz ALRBVDQLICRGAW-QGZVFWFLSA-N 1 0 402.543 0.261 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)ccn1 ZINC000673301566 1080982845 /nfs/dbraw/zinc/98/28/45/1080982845.db2.gz XBOKBZQYWUYFFT-KRWDZBQOSA-N 1 0 412.494 0.428 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)ccn1 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1080993642 /nfs/dbraw/zinc/99/36/42/1080993642.db2.gz PGSAEROVQLCAPA-GUDVDZBRSA-N 1 0 415.538 0.661 20 0 HCADRO O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000673301951 1080993990 /nfs/dbraw/zinc/99/39/90/1080993990.db2.gz PGSAEROVQLCAPA-IPMKNSEASA-N 1 0 415.538 0.661 20 0 HCADRO O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000673301952 1080993773 /nfs/dbraw/zinc/99/37/73/1080993773.db2.gz PGSAEROVQLCAPA-OTWHNJEPSA-N 1 0 415.538 0.661 20 0 HCADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000673301953 1080993492 /nfs/dbraw/zinc/99/34/92/1080993492.db2.gz PGSAEROVQLCAPA-QRVBRYPASA-N 1 0 415.538 0.661 20 0 HCADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000673302105 1080992673 /nfs/dbraw/zinc/99/26/73/1080992673.db2.gz RHSGQNBIMSCPFO-GOSISDBHSA-N 1 0 401.511 0.347 20 0 HCADRO O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000673302106 1080992444 /nfs/dbraw/zinc/99/24/44/1080992444.db2.gz RHSGQNBIMSCPFO-SFHVURJKSA-N 1 0 401.511 0.347 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000673302365 1080986133 /nfs/dbraw/zinc/98/61/33/1080986133.db2.gz VELZOUSSHJEZOG-CEXWTWQISA-N 1 0 414.554 0.261 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000673302366 1080985950 /nfs/dbraw/zinc/98/59/50/1080985950.db2.gz VELZOUSSHJEZOG-GUDVDZBRSA-N 1 0 414.554 0.261 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000673302367 1080985696 /nfs/dbraw/zinc/98/56/96/1080985696.db2.gz VELZOUSSHJEZOG-QRVBRYPASA-N 1 0 414.554 0.261 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000673302368 1080986472 /nfs/dbraw/zinc/98/64/72/1080986472.db2.gz VELZOUSSHJEZOG-QYZOEREBSA-N 1 0 414.554 0.261 20 0 HCADRO O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000673302793 1080984905 /nfs/dbraw/zinc/98/49/05/1080984905.db2.gz XAYBPHPJKCFXQK-ROUUACIJSA-N 1 0 401.511 0.347 20 0 HCADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000673302794 1080984664 /nfs/dbraw/zinc/98/46/64/1080984664.db2.gz XAYBPHPJKCFXQK-ZWKOTPCHSA-N 1 0 401.511 0.347 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000673302879 1080983560 /nfs/dbraw/zinc/98/35/60/1080983560.db2.gz YRHWHUOHLONYKT-MOPGFXCFSA-N 1 0 414.554 0.405 20 0 HCADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000673302880 1080983876 /nfs/dbraw/zinc/98/38/76/1080983876.db2.gz YRHWHUOHLONYKT-OALUTQOASA-N 1 0 414.554 0.405 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000673302881 1080985085 /nfs/dbraw/zinc/98/50/85/1080985085.db2.gz YRHWHUOHLONYKT-RBUKOAKNSA-N 1 0 414.554 0.405 20 0 HCADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000673302882 1080984579 /nfs/dbraw/zinc/98/45/79/1080984579.db2.gz YRHWHUOHLONYKT-RTBURBONSA-N 1 0 414.554 0.405 20 0 HCADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000673303267 1080985666 /nfs/dbraw/zinc/98/56/66/1080985666.db2.gz FVKUEGPKBZWWOP-KRWDZBQOSA-N 1 0 403.527 0.736 20 0 HCADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000673303268 1080986235 /nfs/dbraw/zinc/98/62/35/1080986235.db2.gz FVKUEGPKBZWWOP-QGZVFWFLSA-N 1 0 403.527 0.736 20 0 HCADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000673304149 1080986741 /nfs/dbraw/zinc/98/67/41/1080986741.db2.gz NZRCNVMJPRJPBG-DLBZAZTESA-N 1 0 401.511 0.488 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000673304150 1080986850 /nfs/dbraw/zinc/98/68/50/1080986850.db2.gz NZRCNVMJPRJPBG-IAGOWNOFSA-N 1 0 401.511 0.488 20 0 HCADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000673304151 1080987286 /nfs/dbraw/zinc/98/72/86/1080987286.db2.gz NZRCNVMJPRJPBG-IRXDYDNUSA-N 1 0 401.511 0.488 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000673304152 1080987637 /nfs/dbraw/zinc/98/76/37/1080987637.db2.gz NZRCNVMJPRJPBG-SJORKVTESA-N 1 0 401.511 0.488 20 0 HCADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000673304222 1080985773 /nfs/dbraw/zinc/98/57/73/1080985773.db2.gz XUDUWHGCPFKGPV-GOSISDBHSA-N 1 0 403.527 0.782 20 0 HCADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000673304223 1080986421 /nfs/dbraw/zinc/98/64/21/1080986421.db2.gz XUDUWHGCPFKGPV-SFHVURJKSA-N 1 0 403.527 0.782 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)CC1 ZINC000673304232 1080988377 /nfs/dbraw/zinc/98/83/77/1080988377.db2.gz YAOFCVDYYOEHQL-IBGZPJMESA-N 1 0 414.554 0.263 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)CC1 ZINC000673304233 1080988643 /nfs/dbraw/zinc/98/86/43/1080988643.db2.gz YAOFCVDYYOEHQL-LJQANCHMSA-N 1 0 414.554 0.263 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)C1 ZINC000673304309 1080989814 /nfs/dbraw/zinc/98/98/14/1080989814.db2.gz QWHGRKNWEFNCFR-MSOLQXFVSA-N 1 0 400.527 0.015 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)C1 ZINC000673304310 1080989888 /nfs/dbraw/zinc/98/98/88/1080989888.db2.gz QWHGRKNWEFNCFR-QZTJIDSGSA-N 1 0 400.527 0.015 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)C1 ZINC000673304311 1080989433 /nfs/dbraw/zinc/98/94/33/1080989433.db2.gz QWHGRKNWEFNCFR-ROUUACIJSA-N 1 0 400.527 0.015 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)C1 ZINC000673304312 1080989118 /nfs/dbraw/zinc/98/91/18/1080989118.db2.gz QWHGRKNWEFNCFR-ZWKOTPCHSA-N 1 0 400.527 0.015 20 0 HCADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000673304371 1080989060 /nfs/dbraw/zinc/98/90/60/1080989060.db2.gz SSLADANZYVSEKJ-MSOLQXFVSA-N 1 0 403.527 0.736 20 0 HCADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000673304372 1080989218 /nfs/dbraw/zinc/98/92/18/1080989218.db2.gz SSLADANZYVSEKJ-QZTJIDSGSA-N 1 0 403.527 0.736 20 0 HCADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000673304373 1080990097 /nfs/dbraw/zinc/99/00/97/1080990097.db2.gz SSLADANZYVSEKJ-ROUUACIJSA-N 1 0 403.527 0.736 20 0 HCADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000673304374 1080989758 /nfs/dbraw/zinc/98/97/58/1080989758.db2.gz SSLADANZYVSEKJ-ZWKOTPCHSA-N 1 0 403.527 0.736 20 0 HCADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000673304387 1080989603 /nfs/dbraw/zinc/98/96/03/1080989603.db2.gz TXQINSKFHWYAOQ-PMACEKPBSA-N 1 0 423.517 0.660 20 0 HCADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000673304388 1080989364 /nfs/dbraw/zinc/98/93/64/1080989364.db2.gz TXQINSKFHWYAOQ-UXHICEINSA-N 1 0 423.517 0.660 20 0 HCADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000673304390 1080990930 /nfs/dbraw/zinc/99/09/30/1080990930.db2.gz TXQINSKFHWYAOQ-VQTJNVASSA-N 1 0 423.517 0.660 20 0 HCADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000673304392 1080990560 /nfs/dbraw/zinc/99/05/60/1080990560.db2.gz TXQINSKFHWYAOQ-WOJBJXKFSA-N 1 0 423.517 0.660 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)c1 ZINC000673304639 1080990030 /nfs/dbraw/zinc/99/00/30/1080990030.db2.gz UWYXZJGAEACAMH-INIZCTEOSA-N 1 0 410.478 0.529 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)c1 ZINC000673304640 1080989524 /nfs/dbraw/zinc/98/95/24/1080989524.db2.gz UWYXZJGAEACAMH-MRXNPFEDSA-N 1 0 410.478 0.529 20 0 HCADRO O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000673304715 1080989982 /nfs/dbraw/zinc/98/99/82/1080989982.db2.gz XAYBPHPJKCFXQK-MSOLQXFVSA-N 1 0 401.511 0.347 20 0 HCADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000673304716 1080989676 /nfs/dbraw/zinc/98/96/76/1080989676.db2.gz XAYBPHPJKCFXQK-QZTJIDSGSA-N 1 0 401.511 0.347 20 0 HCADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000673306956 1080992037 /nfs/dbraw/zinc/99/20/37/1080992037.db2.gz FUBGKYMANSOZGM-CYBMUJFWSA-N 1 0 401.554 0.862 20 0 HCADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000673306957 1080991662 /nfs/dbraw/zinc/99/16/62/1080991662.db2.gz FUBGKYMANSOZGM-ZDUSSCGKSA-N 1 0 401.554 0.862 20 0 HCADRO CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000673307252 1080993132 /nfs/dbraw/zinc/99/31/32/1080993132.db2.gz LUQXNEZSLHAWQJ-UHFFFAOYSA-N 1 0 408.505 0.512 20 0 HCADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000673307497 1080997725 /nfs/dbraw/zinc/99/77/25/1080997725.db2.gz PZWCNVJPFQWPSE-GFCCVEGCSA-N 1 0 401.554 0.957 20 0 HCADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000673307498 1080997780 /nfs/dbraw/zinc/99/77/80/1080997780.db2.gz PZWCNVJPFQWPSE-LBPRGKRZSA-N 1 0 401.554 0.957 20 0 HCADRO C[C@@H](CCNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC000673308358 1080995658 /nfs/dbraw/zinc/99/56/58/1080995658.db2.gz PBZQHFIPMAOYKD-DLBZAZTESA-N 1 0 416.588 0.688 20 0 HCADRO C[C@H](CCNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC000673308359 1080995521 /nfs/dbraw/zinc/99/55/21/1080995521.db2.gz PBZQHFIPMAOYKD-IAGOWNOFSA-N 1 0 416.588 0.688 20 0 HCADRO C[C@@H](CCNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC000673308360 1080995636 /nfs/dbraw/zinc/99/56/36/1080995636.db2.gz PBZQHFIPMAOYKD-IRXDYDNUSA-N 1 0 416.588 0.688 20 0 HCADRO C[C@H](CCNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC000673308361 1080995512 /nfs/dbraw/zinc/99/55/12/1080995512.db2.gz PBZQHFIPMAOYKD-SJORKVTESA-N 1 0 416.588 0.688 20 0 HCADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cn1C ZINC000673309394 1080997223 /nfs/dbraw/zinc/99/72/23/1080997223.db2.gz HPJYDDTZCDHVPG-INIZCTEOSA-N 1 0 411.503 0.955 20 0 HCADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cn1C ZINC000673309395 1080997017 /nfs/dbraw/zinc/99/70/17/1080997017.db2.gz HPJYDDTZCDHVPG-MRXNPFEDSA-N 1 0 411.503 0.955 20 0 HCADRO CNC(=O)C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000673318759 1081002505 /nfs/dbraw/zinc/00/25/05/1081002505.db2.gz SFVMSICEPGEFSB-IBGZPJMESA-N 1 0 417.554 0.464 20 0 HCADRO CNC(=O)C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000673318760 1081002733 /nfs/dbraw/zinc/00/27/33/1081002733.db2.gz SFVMSICEPGEFSB-LJQANCHMSA-N 1 0 417.554 0.464 20 0 HCADRO CNC(=O)C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccccc1 ZINC000673318771 1081002631 /nfs/dbraw/zinc/00/26/31/1081002631.db2.gz VKLWETRROSFMEK-GOSISDBHSA-N 1 0 404.511 0.549 20 0 HCADRO CNC(=O)C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccccc1 ZINC000673318772 1081002556 /nfs/dbraw/zinc/00/25/56/1081002556.db2.gz 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420.554 0.465 20 0 HCADRO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000673358358 1081030565 /nfs/dbraw/zinc/03/05/65/1081030565.db2.gz VYZXLRZBWPIHJJ-PKOBYXMFSA-N 1 0 420.554 0.465 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CC2)C1 ZINC000673358665 1081029734 /nfs/dbraw/zinc/02/97/34/1081029734.db2.gz SWDUPLLYVFSJEA-MOPGFXCFSA-N 1 0 419.570 0.132 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2)C1 ZINC000673358670 1081029895 /nfs/dbraw/zinc/02/98/95/1081029895.db2.gz SWDUPLLYVFSJEA-OALUTQOASA-N 1 0 419.570 0.132 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2)C1 ZINC000673358672 1081029838 /nfs/dbraw/zinc/02/98/38/1081029838.db2.gz SWDUPLLYVFSJEA-RBUKOAKNSA-N 1 0 419.570 0.132 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CC2)C1 ZINC000673358673 1081029976 /nfs/dbraw/zinc/02/99/76/1081029976.db2.gz SWDUPLLYVFSJEA-RTBURBONSA-N 1 0 419.570 0.132 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673359029 1081029929 /nfs/dbraw/zinc/02/99/29/1081029929.db2.gz WCIYKHZUPLRMHN-GOSISDBHSA-N 1 0 421.586 0.378 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673359030 1081030011 /nfs/dbraw/zinc/03/00/11/1081030011.db2.gz WCIYKHZUPLRMHN-SFHVURJKSA-N 1 0 421.586 0.378 20 0 HCADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000673359075 1081029486 /nfs/dbraw/zinc/02/94/86/1081029486.db2.gz DCTBGKDGIXUBEZ-MOPGFXCFSA-N 1 0 422.570 0.853 20 0 HCADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000673359076 1081029371 /nfs/dbraw/zinc/02/93/71/1081029371.db2.gz DCTBGKDGIXUBEZ-OALUTQOASA-N 1 0 422.570 0.853 20 0 HCADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000673359077 1081029514 /nfs/dbraw/zinc/02/95/14/1081029514.db2.gz DCTBGKDGIXUBEZ-RBUKOAKNSA-N 1 0 422.570 0.853 20 0 HCADRO 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CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000673515740 1081206654 /nfs/dbraw/zinc/20/66/54/1081206654.db2.gz ZKDJSWRMTUKWAY-IAGOWNOFSA-N 1 0 409.508 0.225 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1 ZINC000673515741 1081206133 /nfs/dbraw/zinc/20/61/33/1081206133.db2.gz ZKDJSWRMTUKWAY-IRXDYDNUSA-N 1 0 409.508 0.225 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1 ZINC000673515742 1081207273 /nfs/dbraw/zinc/20/72/73/1081207273.db2.gz ZKDJSWRMTUKWAY-SJORKVTESA-N 1 0 409.508 0.225 20 0 HCADRO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515970 1081206582 /nfs/dbraw/zinc/20/65/82/1081206582.db2.gz FJQKPUOMVUHKJQ-MSOLQXFVSA-N 1 0 401.511 0.178 20 0 HCADRO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673515973 1081206238 /nfs/dbraw/zinc/20/62/38/1081206238.db2.gz FJQKPUOMVUHKJQ-QZTJIDSGSA-N 1 0 401.511 0.178 20 0 HCADRO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515977 1081206489 /nfs/dbraw/zinc/20/64/89/1081206489.db2.gz FJQKPUOMVUHKJQ-ROUUACIJSA-N 1 0 401.511 0.178 20 0 HCADRO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673515980 1081206362 /nfs/dbraw/zinc/20/63/62/1081206362.db2.gz FJQKPUOMVUHKJQ-ZWKOTPCHSA-N 1 0 401.511 0.178 20 0 HCADRO O=C([C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673516659 1081201259 /nfs/dbraw/zinc/20/12/59/1081201259.db2.gz SAMLVSUFSVYISO-CIRFHOKZSA-N 1 0 407.511 0.636 20 0 HCADRO O=C([C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673516690 1081200888 /nfs/dbraw/zinc/20/08/88/1081200888.db2.gz SAMLVSUFSVYISO-LAQRGFTBSA-N 1 0 407.511 0.636 20 0 HCADRO O=C([C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673516693 1081202215 /nfs/dbraw/zinc/20/22/15/1081202215.db2.gz SAMLVSUFSVYISO-MVJTYMMSSA-N 1 0 407.511 0.636 20 0 HCADRO O=C([C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673516696 1081202378 /nfs/dbraw/zinc/20/23/78/1081202378.db2.gz SAMLVSUFSVYISO-UOVPBQLFSA-N 1 0 407.511 0.636 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000673516843 1081201021 /nfs/dbraw/zinc/20/10/21/1081201021.db2.gz KBLKBVFTLRTZBD-CVEARBPZSA-N 1 0 411.524 0.201 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000673516858 1081201464 /nfs/dbraw/zinc/20/14/64/1081201464.db2.gz KBLKBVFTLRTZBD-HOTGVXAUSA-N 1 0 411.524 0.201 20 0 HCADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673516860 1081201415 /nfs/dbraw/zinc/20/14/15/1081201415.db2.gz QLDDQBWMFHKZSD-CABCVRRESA-N 1 0 413.565 0.743 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000673516862 1081201108 /nfs/dbraw/zinc/20/11/08/1081201108.db2.gz KBLKBVFTLRTZBD-HZPDHXFCSA-N 1 0 411.524 0.201 20 0 HCADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000673516868 1081201170 /nfs/dbraw/zinc/20/11/70/1081201170.db2.gz KBLKBVFTLRTZBD-JKSUJKDBSA-N 1 0 411.524 0.201 20 0 HCADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673516877 1081201319 /nfs/dbraw/zinc/20/13/19/1081201319.db2.gz QLDDQBWMFHKZSD-GJZGRUSLSA-N 1 0 413.565 0.743 20 0 HCADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673516880 1081201371 /nfs/dbraw/zinc/20/13/71/1081201371.db2.gz QLDDQBWMFHKZSD-HUUCEWRRSA-N 1 0 413.565 0.743 20 0 HCADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673516883 1081201583 /nfs/dbraw/zinc/20/15/83/1081201583.db2.gz QLDDQBWMFHKZSD-LSDHHAIUSA-N 1 0 413.565 0.743 20 0 HCADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000673517094 1081200049 /nfs/dbraw/zinc/20/00/49/1081200049.db2.gz PCGSLRUMAJZHNA-GOSISDBHSA-N 1 0 401.511 0.678 20 0 HCADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000673517095 1081200363 /nfs/dbraw/zinc/20/03/63/1081200363.db2.gz PCGSLRUMAJZHNA-SFHVURJKSA-N 1 0 401.511 0.678 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)s1 ZINC000673517274 1081207061 /nfs/dbraw/zinc/20/70/61/1081207061.db2.gz SRURGHNNLCFLRS-ARFHVFGLSA-N 1 0 413.565 0.877 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)s1 ZINC000673517276 1081200496 /nfs/dbraw/zinc/20/04/96/1081200496.db2.gz SRURGHNNLCFLRS-BZUAXINKSA-N 1 0 413.565 0.877 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)s1 ZINC000673517279 1081200116 /nfs/dbraw/zinc/20/01/16/1081200116.db2.gz SRURGHNNLCFLRS-HRCADAONSA-N 1 0 413.565 0.877 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)s1 ZINC000673517282 1081200323 /nfs/dbraw/zinc/20/03/23/1081200323.db2.gz SRURGHNNLCFLRS-OWCLPIDISA-N 1 0 413.565 0.877 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518055 1081201877 /nfs/dbraw/zinc/20/18/77/1081201877.db2.gz ZAFHKUHQYPWKPP-DAYGRLMNSA-N 1 0 413.515 0.796 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518056 1081202171 /nfs/dbraw/zinc/20/21/71/1081202171.db2.gz ZAFHKUHQYPWKPP-MPGHIAIKSA-N 1 0 413.515 0.796 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518057 1081202465 /nfs/dbraw/zinc/20/24/65/1081202465.db2.gz ZAFHKUHQYPWKPP-RKVPGOIHSA-N 1 0 413.515 0.796 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518058 1081201963 /nfs/dbraw/zinc/20/19/63/1081201963.db2.gz ZAFHKUHQYPWKPP-VKJFTORMSA-N 1 0 413.515 0.796 20 0 HCADRO O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518746 1081203490 /nfs/dbraw/zinc/20/34/90/1081203490.db2.gz JORMEELRYTWSAD-KBPBESRZSA-N 1 0 414.553 0.033 20 0 HCADRO O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518747 1081203673 /nfs/dbraw/zinc/20/36/73/1081203673.db2.gz JORMEELRYTWSAD-KGLIPLIRSA-N 1 0 414.553 0.033 20 0 HCADRO O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518748 1081203398 /nfs/dbraw/zinc/20/33/98/1081203398.db2.gz JORMEELRYTWSAD-UONOGXRCSA-N 1 0 414.553 0.033 20 0 HCADRO O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518749 1081203613 /nfs/dbraw/zinc/20/36/13/1081203613.db2.gz JORMEELRYTWSAD-ZIAGYGMSSA-N 1 0 414.553 0.033 20 0 HCADRO O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518864 1081203095 /nfs/dbraw/zinc/20/30/95/1081203095.db2.gz NQYRFQUNPHTBMH-AOIWGVFYSA-N 1 0 407.536 0.897 20 0 HCADRO O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518865 1081202851 /nfs/dbraw/zinc/20/28/51/1081202851.db2.gz NQYRFQUNPHTBMH-LMMKCTJWSA-N 1 0 407.536 0.897 20 0 HCADRO O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518866 1081202768 /nfs/dbraw/zinc/20/27/68/1081202768.db2.gz NQYRFQUNPHTBMH-LNLFQRSKSA-N 1 0 407.536 0.897 20 0 HCADRO O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518867 1081203010 /nfs/dbraw/zinc/20/30/10/1081203010.db2.gz NQYRFQUNPHTBMH-SCTDSRPQSA-N 1 0 407.536 0.897 20 0 HCADRO O=C(COc1ccccc1)N1CCC(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000673518918 1081202891 /nfs/dbraw/zinc/20/28/91/1081202891.db2.gz POAPSOHKPFZREZ-MOPGFXCFSA-N 1 0 401.507 0.972 20 0 HCADRO O=C(COc1ccccc1)N1CCC(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000673518919 1081203718 /nfs/dbraw/zinc/20/37/18/1081203718.db2.gz POAPSOHKPFZREZ-OALUTQOASA-N 1 0 401.507 0.972 20 0 HCADRO O=C(COc1ccccc1)N1CCC(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000673518920 1081203543 /nfs/dbraw/zinc/20/35/43/1081203543.db2.gz POAPSOHKPFZREZ-RBUKOAKNSA-N 1 0 401.507 0.972 20 0 HCADRO O=C(COc1ccccc1)N1CCC(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000673518921 1081203751 /nfs/dbraw/zinc/20/37/51/1081203751.db2.gz POAPSOHKPFZREZ-RTBURBONSA-N 1 0 401.507 0.972 20 0 HCADRO O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000673519016 1081202838 /nfs/dbraw/zinc/20/28/38/1081202838.db2.gz TVXKECZRKWPECI-HKUYNNGSSA-N 1 0 413.522 0.633 20 0 HCADRO O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000673519017 1081203082 /nfs/dbraw/zinc/20/30/82/1081203082.db2.gz TVXKECZRKWPECI-IEBWSBKVSA-N 1 0 413.522 0.633 20 0 HCADRO O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000673519018 1081202812 /nfs/dbraw/zinc/20/28/12/1081202812.db2.gz TVXKECZRKWPECI-MJGOQNOKSA-N 1 0 413.522 0.633 20 0 HCADRO O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000673519019 1081202996 /nfs/dbraw/zinc/20/29/96/1081202996.db2.gz TVXKECZRKWPECI-PKOBYXMFSA-N 1 0 413.522 0.633 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000673519028 1081203071 /nfs/dbraw/zinc/20/30/71/1081203071.db2.gz UMJCBYGILUHMOR-MSOLQXFVSA-N 1 0 401.511 0.678 20 0 HCADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000673519029 1081202959 /nfs/dbraw/zinc/20/29/59/1081202959.db2.gz UMJCBYGILUHMOR-QZTJIDSGSA-N 1 0 401.511 0.678 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000673519030 1081202971 /nfs/dbraw/zinc/20/29/71/1081202971.db2.gz UMJCBYGILUHMOR-ROUUACIJSA-N 1 0 401.511 0.678 20 0 HCADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000673519031 1081203031 /nfs/dbraw/zinc/20/30/31/1081203031.db2.gz UMJCBYGILUHMOR-ZWKOTPCHSA-N 1 0 401.511 0.678 20 0 HCADRO O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673519102 1081202333 /nfs/dbraw/zinc/20/23/33/1081202333.db2.gz XQYUHWUOTBZVQM-MOPGFXCFSA-N 1 0 413.522 0.776 20 0 HCADRO O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673519103 1081201939 /nfs/dbraw/zinc/20/19/39/1081201939.db2.gz XQYUHWUOTBZVQM-OALUTQOASA-N 1 0 413.522 0.776 20 0 HCADRO O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673519104 1081201921 /nfs/dbraw/zinc/20/19/21/1081201921.db2.gz XQYUHWUOTBZVQM-RBUKOAKNSA-N 1 0 413.522 0.776 20 0 HCADRO O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673519105 1081202414 /nfs/dbraw/zinc/20/24/14/1081202414.db2.gz XQYUHWUOTBZVQM-RTBURBONSA-N 1 0 413.522 0.776 20 0 HCADRO CN(CCCC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000673519126 1081202061 /nfs/dbraw/zinc/20/20/61/1081202061.db2.gz YHIFGMAQJFWGHA-DLBZAZTESA-N 1 0 413.515 0.894 20 0 HCADRO CN(CCCC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000673519127 1081202490 /nfs/dbraw/zinc/20/24/90/1081202490.db2.gz YHIFGMAQJFWGHA-IAGOWNOFSA-N 1 0 413.515 0.894 20 0 HCADRO CN(CCCC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000673519128 1081202012 /nfs/dbraw/zinc/20/20/12/1081202012.db2.gz YHIFGMAQJFWGHA-IRXDYDNUSA-N 1 0 413.515 0.894 20 0 HCADRO CN(CCCC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000673519129 1081202298 /nfs/dbraw/zinc/20/22/98/1081202298.db2.gz YHIFGMAQJFWGHA-SJORKVTESA-N 1 0 413.515 0.894 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000673519825 1081204347 /nfs/dbraw/zinc/20/43/47/1081204347.db2.gz CKIBZDOBBOKDKG-HNNXBMFYSA-N 1 0 413.540 0.912 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000673519826 1081204482 /nfs/dbraw/zinc/20/44/82/1081204482.db2.gz CKIBZDOBBOKDKG-OAHLLOKOSA-N 1 0 413.540 0.912 20 0 HCADRO C[NH+](C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000673520369 1081203815 /nfs/dbraw/zinc/20/38/15/1081203815.db2.gz HZTZAKDGMKDASZ-AWEZNQCLSA-N 1 0 405.467 0.404 20 0 HCADRO C[NH+](C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000673520371 1081203448 /nfs/dbraw/zinc/20/34/48/1081203448.db2.gz HZTZAKDGMKDASZ-CQSZACIVSA-N 1 0 405.467 0.404 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N[C@@H](CO)C[NH+](C)C)c2c1 ZINC000673520706 1081210480 /nfs/dbraw/zinc/21/04/80/1081210480.db2.gz HAWFIKBNKXYUQQ-CYBMUJFWSA-N 1 0 424.523 0.623 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N[C@H](CO)C[NH+](C)C)c2c1 ZINC000673520708 1081210588 /nfs/dbraw/zinc/21/05/88/1081210588.db2.gz HAWFIKBNKXYUQQ-ZDUSSCGKSA-N 1 0 424.523 0.623 20 0 HCADRO CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](CO)C[NH+](C)C)cc(C(C)C)nc21 ZINC000673520833 1081204239 /nfs/dbraw/zinc/20/42/39/1081204239.db2.gz LWFNXXMNVRWMLE-CYBMUJFWSA-N 1 0 405.499 0.929 20 0 HCADRO CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](CO)C[NH+](C)C)cc(C(C)C)nc21 ZINC000673520837 1081210697 /nfs/dbraw/zinc/21/06/97/1081210697.db2.gz LWFNXXMNVRWMLE-ZDUSSCGKSA-N 1 0 405.499 0.929 20 0 HCADRO CN(CC(=O)N[C@@H](CO)C[NH+](C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC000673521026 1081204421 /nfs/dbraw/zinc/20/44/21/1081204421.db2.gz OBYJKLAFAGWOHU-GFCCVEGCSA-N 1 0 408.318 0.108 20 0 HCADRO CN(CC(=O)N[C@H](CO)C[NH+](C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC000673521028 1081204520 /nfs/dbraw/zinc/20/45/20/1081204520.db2.gz OBYJKLAFAGWOHU-LBPRGKRZSA-N 1 0 408.318 0.108 20 0 HCADRO C[NH+](C)C[C@H](CO)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000673521853 1081207001 /nfs/dbraw/zinc/20/70/01/1081207001.db2.gz NITIWEYZEVSKTB-GFCCVEGCSA-N 1 0 412.284 0.864 20 0 HCADRO C[NH+](C)C[C@@H](CO)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000673521856 1081207161 /nfs/dbraw/zinc/20/71/61/1081207161.db2.gz NITIWEYZEVSKTB-LBPRGKRZSA-N 1 0 412.284 0.864 20 0 HCADRO C[NH+](C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000673522704 1081208244 /nfs/dbraw/zinc/20/82/44/1081208244.db2.gz WTRNRPZJWFHLCK-CYBMUJFWSA-N 1 0 421.922 0.919 20 0 HCADRO C[NH+](C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000673522709 1081208263 /nfs/dbraw/zinc/20/82/63/1081208263.db2.gz WTRNRPZJWFHLCK-ZDUSSCGKSA-N 1 0 421.922 0.919 20 0 HCADRO COc1ccc(C(=O)N[C@H](CO)C[NH+](C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC000673522984 1081207659 /nfs/dbraw/zinc/20/76/59/1081207659.db2.gz YRAWEFHVBPZYNX-INIZCTEOSA-N 1 0 413.540 0.912 20 0 HCADRO COc1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC000673522990 1081208144 /nfs/dbraw/zinc/20/81/44/1081208144.db2.gz YRAWEFHVBPZYNX-MRXNPFEDSA-N 1 0 413.540 0.912 20 0 HCADRO O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673527409 1081209553 /nfs/dbraw/zinc/20/95/53/1081209553.db2.gz IZWGPPUADGRHHE-GOSISDBHSA-N 1 0 408.462 0.437 20 0 HCADRO O=C(N[C@H]1CCCN(c2cccnc2)C1=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673527410 1081209590 /nfs/dbraw/zinc/20/95/90/1081209590.db2.gz IZWGPPUADGRHHE-SFHVURJKSA-N 1 0 408.462 0.437 20 0 HCADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673529667 1081214610 /nfs/dbraw/zinc/21/46/10/1081214610.db2.gz ASSVGNJDKILYHO-CRAIPNDOSA-N 1 0 415.494 0.109 20 0 HCADRO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673529668 1081214713 /nfs/dbraw/zinc/21/47/13/1081214713.db2.gz ASSVGNJDKILYHO-MAUKXSAKSA-N 1 0 415.494 0.109 20 0 HCADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673529669 1081214504 /nfs/dbraw/zinc/21/45/04/1081214504.db2.gz ASSVGNJDKILYHO-QAPCUYQASA-N 1 0 415.494 0.109 20 0 HCADRO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673529671 1081214660 /nfs/dbraw/zinc/21/46/60/1081214660.db2.gz ASSVGNJDKILYHO-YJBOKZPZSA-N 1 0 415.494 0.109 20 0 HCADRO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673529923 1081213845 /nfs/dbraw/zinc/21/38/45/1081213845.db2.gz FUYOHGWWWUFIES-CYBMUJFWSA-N 1 0 409.430 0.557 20 0 HCADRO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@H](CO)C[NH+]1CCCC1 ZINC000673529931 1081214002 /nfs/dbraw/zinc/21/40/02/1081214002.db2.gz FUYOHGWWWUFIES-ZDUSSCGKSA-N 1 0 409.430 0.557 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)C[NH+]3CCCC3)CC2)cc1 ZINC000673530463 1081211281 /nfs/dbraw/zinc/21/12/81/1081211281.db2.gz IPQAQJVYBCDGCG-GOSISDBHSA-N 1 0 409.552 0.969 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)C[NH+]3CCCC3)CC2)cc1 ZINC000673530465 1081211527 /nfs/dbraw/zinc/21/15/27/1081211527.db2.gz IPQAQJVYBCDGCG-SFHVURJKSA-N 1 0 409.552 0.969 20 0 HCADRO CCC[C@@H](NC(N)=O)C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000673530555 1081211156 /nfs/dbraw/zinc/21/11/56/1081211156.db2.gz IHRLPRQYRMOXAO-MRXNPFEDSA-N 1 0 403.483 0.510 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C[NH+]2CCCC2)s1 ZINC000673530799 1081214735 /nfs/dbraw/zinc/21/47/35/1081214735.db2.gz ITJKKLBKUBMHDP-CABCVRRESA-N 1 0 401.554 0.783 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](CO)C[NH+]2CCCC2)s1 ZINC000673530802 1081214796 /nfs/dbraw/zinc/21/47/96/1081214796.db2.gz ITJKKLBKUBMHDP-GJZGRUSLSA-N 1 0 401.554 0.783 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](CO)C[NH+]2CCCC2)s1 ZINC000673530803 1081215316 /nfs/dbraw/zinc/21/53/16/1081215316.db2.gz ITJKKLBKUBMHDP-HUUCEWRRSA-N 1 0 401.554 0.783 20 0 HCADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](CO)C[NH+]2CCCC2)s1 ZINC000673530805 1081215106 /nfs/dbraw/zinc/21/51/06/1081215106.db2.gz ITJKKLBKUBMHDP-LSDHHAIUSA-N 1 0 401.554 0.783 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](CO)C[NH+]2CCCC2)CC1 ZINC000673531170 1081214544 /nfs/dbraw/zinc/21/45/44/1081214544.db2.gz KOZOKNMCEDZANM-INIZCTEOSA-N 1 0 414.528 0.265 20 0 HCADRO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](CO)C[NH+]2CCCC2)CC1 ZINC000673531171 1081214684 /nfs/dbraw/zinc/21/46/84/1081214684.db2.gz KOZOKNMCEDZANM-MRXNPFEDSA-N 1 0 414.528 0.265 20 0 HCADRO Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1 ZINC000673531416 1081214477 /nfs/dbraw/zinc/21/44/77/1081214477.db2.gz UOKMRRMFLCEMGF-INIZCTEOSA-N 1 0 418.523 0.732 20 0 HCADRO Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1 ZINC000673531417 1081214769 /nfs/dbraw/zinc/21/47/69/1081214769.db2.gz UOKMRRMFLCEMGF-MRXNPFEDSA-N 1 0 418.523 0.732 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673531501 1081212466 /nfs/dbraw/zinc/21/24/66/1081212466.db2.gz MFRTZYMNKAZGTK-PBHICJAKSA-N 1 0 401.504 0.702 20 0 HCADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000673531502 1081212790 /nfs/dbraw/zinc/21/27/90/1081212790.db2.gz MFRTZYMNKAZGTK-YOEHRIQHSA-N 1 0 401.504 0.702 20 0 HCADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CNC(=O)C(C)(C)C ZINC000673531633 1081212736 /nfs/dbraw/zinc/21/27/36/1081212736.db2.gz RNMRFMZOGXUTOK-UHFFFAOYSA-N 1 0 402.495 0.835 20 0 HCADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000673531701 1081212893 /nfs/dbraw/zinc/21/28/93/1081212893.db2.gz YAYBSKHLDYZSLJ-CVEARBPZSA-N 1 0 401.463 0.648 20 0 HCADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000673531707 1081212983 /nfs/dbraw/zinc/21/29/83/1081212983.db2.gz YAYBSKHLDYZSLJ-HOTGVXAUSA-N 1 0 401.463 0.648 20 0 HCADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000673531712 1081212840 /nfs/dbraw/zinc/21/28/40/1081212840.db2.gz YAYBSKHLDYZSLJ-HZPDHXFCSA-N 1 0 401.463 0.648 20 0 HCADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000673531716 1081212609 /nfs/dbraw/zinc/21/26/09/1081212609.db2.gz YAYBSKHLDYZSLJ-JKSUJKDBSA-N 1 0 401.463 0.648 20 0 HCADRO CN(CCCC(=O)N[C@H](CO)C[NH+]1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000673532032 1081211987 /nfs/dbraw/zinc/21/19/87/1081211987.db2.gz VWHVJZGQCOATOM-INIZCTEOSA-N 1 0 401.504 0.799 20 0 HCADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673532037 1081211965 /nfs/dbraw/zinc/21/19/65/1081211965.db2.gz RQRSRITYPLLZAU-CYBMUJFWSA-N 1 0 412.284 0.747 20 0 HCADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@H](CO)C[NH+]1CCCC1 ZINC000673532038 1081212024 /nfs/dbraw/zinc/21/20/24/1081212024.db2.gz RQRSRITYPLLZAU-ZDUSSCGKSA-N 1 0 412.284 0.747 20 0 HCADRO CN(CCCC(=O)N[C@@H](CO)C[NH+]1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000673532040 1081211938 /nfs/dbraw/zinc/21/19/38/1081211938.db2.gz VWHVJZGQCOATOM-MRXNPFEDSA-N 1 0 401.504 0.799 20 0 HCADRO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000673532661 1081218664 /nfs/dbraw/zinc/21/86/64/1081218664.db2.gz GKTVSTAAMXWLSA-BTYIYWSLSA-N 1 0 400.479 0.558 20 0 HCADRO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673532662 1081218812 /nfs/dbraw/zinc/21/88/12/1081218812.db2.gz GKTVSTAAMXWLSA-QVKFZJNVSA-N 1 0 400.479 0.558 20 0 HCADRO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673532663 1081218627 /nfs/dbraw/zinc/21/86/27/1081218627.db2.gz GKTVSTAAMXWLSA-VFNWGFHPSA-N 1 0 400.479 0.558 20 0 HCADRO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000673532666 1081218781 /nfs/dbraw/zinc/21/87/81/1081218781.db2.gz GKTVSTAAMXWLSA-YCRPNKLZSA-N 1 0 400.479 0.558 20 0 HCADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CN1CCCCC1=O ZINC000673533661 1081224745 /nfs/dbraw/zinc/22/47/45/1081224745.db2.gz DIFONVLLIFSFDB-UHFFFAOYSA-N 1 0 400.479 0.685 20 0 HCADRO Cc1nc(C(=O)N(C)CC[N@H+](C)CCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C ZINC000673533887 1081217891 /nfs/dbraw/zinc/21/78/91/1081217891.db2.gz KUDILOSCTLKBND-UHFFFAOYSA-N 1 0 411.462 0.687 20 0 HCADRO C[C@@H](C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)N1CCN(C)CC1 ZINC000673534089 1081218051 /nfs/dbraw/zinc/21/80/51/1081218051.db2.gz QOSNFOHIKRUOMO-KRWDZBQOSA-N 1 0 415.538 0.309 20 0 HCADRO C[C@H](C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)N1CCN(C)CC1 ZINC000673534090 1081218195 /nfs/dbraw/zinc/21/81/95/1081218195.db2.gz QOSNFOHIKRUOMO-QGZVFWFLSA-N 1 0 415.538 0.309 20 0 HCADRO Cc1ccnc2nc(C(=O)N(C)CC[N@H+](C)CCN3C(=O)c4ccccc4C3=O)nn21 ZINC000673534113 1081216612 /nfs/dbraw/zinc/21/66/12/1081216612.db2.gz SCGNXDRWPMYMQV-UHFFFAOYSA-N 1 0 421.461 0.733 20 0 HCADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CNC(=O)c1cccnc1 ZINC000673534396 1081216421 /nfs/dbraw/zinc/21/64/21/1081216421.db2.gz LPQLSFGDBCKXKO-UHFFFAOYSA-N 1 0 423.473 0.498 20 0 HCADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CN1CSCC1=O ZINC000673534433 1081215965 /nfs/dbraw/zinc/21/59/65/1081215965.db2.gz OMEMWXDVWOXYCH-UHFFFAOYSA-N 1 0 404.492 0.206 20 0 HCADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CCN1C(=O)CCC1=O ZINC000673534628 1081220682 /nfs/dbraw/zinc/22/06/82/1081220682.db2.gz JHASTGSVHPYILM-UHFFFAOYSA-N 1 0 414.462 0.212 20 0 HCADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)Cc1nc2ncccn2n1 ZINC000673534754 1081220762 /nfs/dbraw/zinc/22/07/62/1081220762.db2.gz YRZRNEUYAZHBGS-UHFFFAOYSA-N 1 0 421.461 0.353 20 0 HCADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(C(N)=O)cn1 ZINC000673534819 1081220810 /nfs/dbraw/zinc/22/08/10/1081220810.db2.gz RGEDUQNFMUQYBH-UHFFFAOYSA-N 1 0 409.446 0.481 20 0 HCADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000673535034 1081225673 /nfs/dbraw/zinc/22/56/73/1081225673.db2.gz DMIGZMRYUIZJIK-AWEZNQCLSA-N 1 0 422.448 0.225 20 0 HCADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000673535035 1081226009 /nfs/dbraw/zinc/22/60/09/1081226009.db2.gz DMIGZMRYUIZJIK-CQSZACIVSA-N 1 0 422.448 0.225 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)[C@@H](C)C1 ZINC000673535191 1081225281 /nfs/dbraw/zinc/22/52/81/1081225281.db2.gz VKINNWITESPFOH-IHRRRGAJSA-N 1 0 406.449 0.845 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)[C@H](C)C1 ZINC000673535192 1081225376 /nfs/dbraw/zinc/22/53/76/1081225376.db2.gz VKINNWITESPFOH-MCIONIFRSA-N 1 0 406.449 0.845 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)[C@@H](C)C1 ZINC000673535193 1081225524 /nfs/dbraw/zinc/22/55/24/1081225524.db2.gz VKINNWITESPFOH-MJBXVCDLSA-N 1 0 406.449 0.845 20 0 HCADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)[C@H](C)C1 ZINC000673535194 1081225499 /nfs/dbraw/zinc/22/54/99/1081225499.db2.gz 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C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000673567894 1081303240 /nfs/dbraw/zinc/30/32/40/1081303240.db2.gz JNBLKQSVMQSNTA-AWEZNQCLSA-N 1 0 415.498 0.379 20 0 HCADRO C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000673567904 1081303192 /nfs/dbraw/zinc/30/31/92/1081303192.db2.gz JNBLKQSVMQSNTA-CQSZACIVSA-N 1 0 415.498 0.379 20 0 HCADRO CC(C)c1csc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000673571731 1081312916 /nfs/dbraw/zinc/31/29/16/1081312916.db2.gz BNRPHEAZRQAAMF-HNNXBMFYSA-N 1 0 407.540 0.648 20 0 HCADRO CC(C)c1csc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000673571732 1081312807 /nfs/dbraw/zinc/31/28/07/1081312807.db2.gz BNRPHEAZRQAAMF-OAHLLOKOSA-N 1 0 407.540 0.648 20 0 HCADRO Cn1c2ccc(S(=O)(=O)NCc3ccncc3OCC[NH+](C)C)cc2n(C)c1=O ZINC000673580055 1081315892 /nfs/dbraw/zinc/31/58/92/1081315892.db2.gz IIXFAAGZLLQBHU-UHFFFAOYSA-N 1 0 419.507 0.691 20 0 HCADRO CN(C)C(=O)c1cc(S(=O)(=O)NCc2ccncc2OCC[NH+](C)C)cn1C ZINC000673580088 1081316022 /nfs/dbraw/zinc/31/60/22/1081316022.db2.gz XQHGDGKKBOQWGM-UHFFFAOYSA-N 1 0 409.512 0.541 20 0 HCADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673580874 1081317656 /nfs/dbraw/zinc/31/76/56/1081317656.db2.gz INQJTMKKVMDTSU-UHFFFAOYSA-N 1 0 406.574 0.099 20 0 HCADRO COc1ccc(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)cc1C(=O)N(C)C ZINC000673580893 1081317710 /nfs/dbraw/zinc/31/77/10/1081317710.db2.gz NWRXHQFHFPSBHH-UHFFFAOYSA-N 1 0 400.545 0.559 20 0 HCADRO COc1cc2c(cc1S(=O)(=O)NCCC[N@H+](C)CCN(C)C)OCC(=O)N2 ZINC000673580957 1081317778 /nfs/dbraw/zinc/31/77/78/1081317778.db2.gz DXJCCSWAZUJCNO-UHFFFAOYSA-N 1 0 400.501 0.188 20 0 HCADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000673581167 1081317696 /nfs/dbraw/zinc/31/76/96/1081317696.db2.gz NCLOIJCCKHLUAW-UHFFFAOYSA-N 1 0 409.549 0.733 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCOC[C@H]2c2ccco2)ccn1 ZINC000673581790 1081316486 /nfs/dbraw/zinc/31/64/86/1081316486.db2.gz OUFDBMVBZBLUSD-INIZCTEOSA-N 1 0 402.451 0.831 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCOC[C@@H]2c2ccco2)ccn1 ZINC000673581791 1081316579 /nfs/dbraw/zinc/31/65/79/1081316579.db2.gz OUFDBMVBZBLUSD-MRXNPFEDSA-N 1 0 402.451 0.831 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCO[C@H](c3ccco3)C2)ccn1 ZINC000673581882 1081316449 /nfs/dbraw/zinc/31/64/49/1081316449.db2.gz FXHNQGZMZUBRHU-KRWDZBQOSA-N 1 0 402.451 0.831 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCO[C@@H](c3ccco3)C2)ccn1 ZINC000673581883 1081316535 /nfs/dbraw/zinc/31/65/35/1081316535.db2.gz FXHNQGZMZUBRHU-QGZVFWFLSA-N 1 0 402.451 0.831 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCOC3(CCOCC3)C2)ccn1 ZINC000673581891 1081316421 /nfs/dbraw/zinc/31/64/21/1081316421.db2.gz HWGIGLOUJHFNGI-UHFFFAOYSA-N 1 0 406.483 0.046 20 0 HCADRO Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000673581942 1081316555 /nfs/dbraw/zinc/31/65/55/1081316555.db2.gz BDDZULVJFKOHQE-HNNXBMFYSA-N 1 0 401.471 0.130 20 0 HCADRO Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000673581948 1081316552 /nfs/dbraw/zinc/31/65/52/1081316552.db2.gz BDDZULVJFKOHQE-OAHLLOKOSA-N 1 0 401.471 0.130 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)ccn1 ZINC000673581964 1081316563 /nfs/dbraw/zinc/31/65/63/1081316563.db2.gz TTYQUOIWXFZDPH-INIZCTEOSA-N 1 0 400.483 0.768 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)ccn1 ZINC000673581965 1081316470 /nfs/dbraw/zinc/31/64/70/1081316470.db2.gz TTYQUOIWXFZDPH-MRXNPFEDSA-N 1 0 400.483 0.768 20 0 HCADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000673582074 1081318496 /nfs/dbraw/zinc/31/84/96/1081318496.db2.gz YJNUALALEFCECP-CALCHBBNSA-N 1 0 421.542 0.206 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C(F)(F)F)O1 ZINC000673582104 1081318512 /nfs/dbraw/zinc/31/85/12/1081318512.db2.gz UPXFTMLJEDBMTQ-GXTWGEPZSA-N 1 0 418.416 0.816 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@@H](C(F)(F)F)O1 ZINC000673582105 1081318581 /nfs/dbraw/zinc/31/85/81/1081318581.db2.gz UPXFTMLJEDBMTQ-JSGCOSHPSA-N 1 0 418.416 0.816 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@@H](C(F)(F)F)O1 ZINC000673582106 1081318608 /nfs/dbraw/zinc/31/86/08/1081318608.db2.gz UPXFTMLJEDBMTQ-OCCSQVGLSA-N 1 0 418.416 0.816 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C(F)(F)F)O1 ZINC000673582107 1081318541 /nfs/dbraw/zinc/31/85/41/1081318541.db2.gz UPXFTMLJEDBMTQ-TZMCWYRMSA-N 1 0 418.416 0.816 20 0 HCADRO CN(C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CCCc2c1cnn2C ZINC000673582279 1081318151 /nfs/dbraw/zinc/31/81/51/1081318151.db2.gz WHCRNEUNCKNHAR-KRWDZBQOSA-N 1 0 414.510 0.908 20 0 HCADRO CN(C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCCc2c1cnn2C ZINC000673582280 1081318471 /nfs/dbraw/zinc/31/84/71/1081318471.db2.gz WHCRNEUNCKNHAR-QGZVFWFLSA-N 1 0 414.510 0.908 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)ccn1 ZINC000673582401 1081318167 /nfs/dbraw/zinc/31/81/67/1081318167.db2.gz IFLMWSFSRUNHOA-KRWDZBQOSA-N 1 0 400.483 0.698 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)ccn1 ZINC000673582402 1081318137 /nfs/dbraw/zinc/31/81/37/1081318137.db2.gz IFLMWSFSRUNHOA-QGZVFWFLSA-N 1 0 400.483 0.698 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)ccn1 ZINC000673582454 1081318123 /nfs/dbraw/zinc/31/81/23/1081318123.db2.gz AJFTZKHQMVUBQV-DLBZAZTESA-N 1 0 406.483 0.045 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)ccn1 ZINC000673582455 1081318196 /nfs/dbraw/zinc/31/81/96/1081318196.db2.gz AJFTZKHQMVUBQV-IAGOWNOFSA-N 1 0 406.483 0.045 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)ccn1 ZINC000673582456 1081318241 /nfs/dbraw/zinc/31/82/41/1081318241.db2.gz AJFTZKHQMVUBQV-IRXDYDNUSA-N 1 0 406.483 0.045 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)ccn1 ZINC000673582457 1081318160 /nfs/dbraw/zinc/31/81/60/1081318160.db2.gz AJFTZKHQMVUBQV-SJORKVTESA-N 1 0 406.483 0.045 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@H](OC(F)F)C2)ccn1 ZINC000673582656 1081321598 /nfs/dbraw/zinc/32/15/98/1081321598.db2.gz XBFVDKKXMJQPDS-AWEZNQCLSA-N 1 0 400.426 0.868 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@@H](OC(F)F)C2)ccn1 ZINC000673582657 1081321544 /nfs/dbraw/zinc/32/15/44/1081321544.db2.gz XBFVDKKXMJQPDS-CQSZACIVSA-N 1 0 400.426 0.868 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)ccn1 ZINC000673582671 1081321492 /nfs/dbraw/zinc/32/14/92/1081321492.db2.gz ZMXTXSXVYOPYLJ-UHFFFAOYSA-N 1 0 417.510 0.252 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000673582704 1081321878 /nfs/dbraw/zinc/32/18/78/1081321878.db2.gz HLZAEHDNMRAVOJ-BZZMCLGOSA-N 1 0 408.543 0.244 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000673582705 1081322021 /nfs/dbraw/zinc/32/20/21/1081322021.db2.gz HLZAEHDNMRAVOJ-LAVFITLUSA-N 1 0 408.543 0.244 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000673582706 1081321953 /nfs/dbraw/zinc/32/19/53/1081321953.db2.gz HLZAEHDNMRAVOJ-SPUZQDLCSA-N 1 0 408.543 0.244 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000673582707 1081321840 /nfs/dbraw/zinc/32/18/40/1081321840.db2.gz HLZAEHDNMRAVOJ-UBDQQSCGSA-N 1 0 408.543 0.244 20 0 HCADRO Cn1cc(C[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)cn1 ZINC000673582713 1081321847 /nfs/dbraw/zinc/32/18/47/1081321847.db2.gz IKBVBYVPZFXTAS-IPELMVKDSA-N 1 0 403.527 0.305 20 0 HCADRO Cn1cc(C[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)cn1 ZINC000673582714 1081321816 /nfs/dbraw/zinc/32/18/16/1081321816.db2.gz IKBVBYVPZFXTAS-KFKAGJAMSA-N 1 0 403.527 0.305 20 0 HCADRO Cn1cc(C[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2)cn1 ZINC000673582715 1081321968 /nfs/dbraw/zinc/32/19/68/1081321968.db2.gz IKBVBYVPZFXTAS-SNRMKQJTSA-N 1 0 403.527 0.305 20 0 HCADRO Cn1cc(C[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2)cn1 ZINC000673582716 1081322029 /nfs/dbraw/zinc/32/20/29/1081322029.db2.gz IKBVBYVPZFXTAS-ZYSHUDEJSA-N 1 0 403.527 0.305 20 0 HCADRO O=C(NCCN1Cc2ccccc2C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673582813 1081321091 /nfs/dbraw/zinc/32/10/91/1081321091.db2.gz YZVXXXPKUCQNIU-PMACEKPBSA-N 1 0 400.523 0.612 20 0 HCADRO O=C(NCCN1Cc2ccccc2C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673582814 1081321147 /nfs/dbraw/zinc/32/11/47/1081321147.db2.gz YZVXXXPKUCQNIU-UXHICEINSA-N 1 0 400.523 0.612 20 0 HCADRO O=C(NCCN1Cc2ccccc2C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673582815 1081320997 /nfs/dbraw/zinc/32/09/97/1081320997.db2.gz YZVXXXPKUCQNIU-VQTJNVASSA-N 1 0 400.523 0.612 20 0 HCADRO O=C(NCCN1Cc2ccccc2C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673582816 1081320947 /nfs/dbraw/zinc/32/09/47/1081320947.db2.gz YZVXXXPKUCQNIU-WOJBJXKFSA-N 1 0 400.523 0.612 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCCN(c2nccs2)CC1 ZINC000673582897 1081320583 /nfs/dbraw/zinc/32/05/83/1081320583.db2.gz PXMCZRXNODNZHI-DLBZAZTESA-N 1 0 421.567 0.676 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCCN(c2nccs2)CC1 ZINC000673582898 1081320617 /nfs/dbraw/zinc/32/06/17/1081320617.db2.gz PXMCZRXNODNZHI-IAGOWNOFSA-N 1 0 421.567 0.676 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCCN(c2nccs2)CC1 ZINC000673582899 1081320526 /nfs/dbraw/zinc/32/05/26/1081320526.db2.gz PXMCZRXNODNZHI-IRXDYDNUSA-N 1 0 421.567 0.676 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCCN(c2nccs2)CC1 ZINC000673582900 1081321162 /nfs/dbraw/zinc/32/11/62/1081321162.db2.gz PXMCZRXNODNZHI-SJORKVTESA-N 1 0 421.567 0.676 20 0 HCADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000673582907 1081321076 /nfs/dbraw/zinc/32/10/76/1081321076.db2.gz QMRCXOJHVYWPFY-BZSNNMDCSA-N 1 0 421.567 0.531 20 0 HCADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000673582908 1081320935 /nfs/dbraw/zinc/32/09/35/1081320935.db2.gz QMRCXOJHVYWPFY-FGTMMUONSA-N 1 0 421.567 0.531 20 0 HCADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000673582909 1081321070 /nfs/dbraw/zinc/32/10/70/1081321070.db2.gz QMRCXOJHVYWPFY-OKZBNKHCSA-N 1 0 421.567 0.531 20 0 HCADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000673582910 1081321059 /nfs/dbraw/zinc/32/10/59/1081321059.db2.gz QMRCXOJHVYWPFY-SQNIBIBYSA-N 1 0 421.567 0.531 20 0 HCADRO Cc1ccncc1N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673583028 1081320255 /nfs/dbraw/zinc/32/02/55/1081320255.db2.gz KECFYFQSKNVOPV-AZUAARDMSA-N 1 0 415.538 0.533 20 0 HCADRO Cc1ccncc1N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673583029 1081320172 /nfs/dbraw/zinc/32/01/72/1081320172.db2.gz KECFYFQSKNVOPV-ICSRJNTNSA-N 1 0 415.538 0.533 20 0 HCADRO Cc1ccncc1N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673583030 1081320162 /nfs/dbraw/zinc/32/01/62/1081320162.db2.gz KECFYFQSKNVOPV-QUCCMNQESA-N 1 0 415.538 0.533 20 0 HCADRO Cc1ccncc1N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673583031 1081320260 /nfs/dbraw/zinc/32/02/60/1081320260.db2.gz KECFYFQSKNVOPV-UYAOXDASSA-N 1 0 415.538 0.533 20 0 HCADRO COc1ccc(OCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000673583060 1081320499 /nfs/dbraw/zinc/32/04/99/1081320499.db2.gz OKRWDKIQVCIJKL-MOPGFXCFSA-N 1 0 405.495 0.684 20 0 HCADRO COc1ccc(OCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000673583061 1081320625 /nfs/dbraw/zinc/32/06/25/1081320625.db2.gz OKRWDKIQVCIJKL-OALUTQOASA-N 1 0 405.495 0.684 20 0 HCADRO COc1ccc(OCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000673583062 1081320678 /nfs/dbraw/zinc/32/06/78/1081320678.db2.gz OKRWDKIQVCIJKL-RBUKOAKNSA-N 1 0 405.495 0.684 20 0 HCADRO COc1ccc(OCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000673583063 1081320545 /nfs/dbraw/zinc/32/05/45/1081320545.db2.gz OKRWDKIQVCIJKL-RTBURBONSA-N 1 0 405.495 0.684 20 0 HCADRO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673583133 1081320661 /nfs/dbraw/zinc/32/06/61/1081320661.db2.gz GFKZRWHVDAMYNJ-FHWLQOOXSA-N 1 0 403.527 0.886 20 0 HCADRO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673583134 1081320633 /nfs/dbraw/zinc/32/06/33/1081320633.db2.gz GFKZRWHVDAMYNJ-GBESFXJTSA-N 1 0 403.527 0.886 20 0 HCADRO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583135 1081320574 /nfs/dbraw/zinc/32/05/74/1081320574.db2.gz GFKZRWHVDAMYNJ-IPMKNSEASA-N 1 0 403.527 0.886 20 0 HCADRO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583136 1081320536 /nfs/dbraw/zinc/32/05/36/1081320536.db2.gz GFKZRWHVDAMYNJ-OTWHNJEPSA-N 1 0 403.527 0.886 20 0 HCADRO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673583226 1081317320 /nfs/dbraw/zinc/31/73/20/1081317320.db2.gz XLEJVAHXVJECSZ-DLBZAZTESA-N 1 0 423.558 0.133 20 0 HCADRO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673583227 1081317403 /nfs/dbraw/zinc/31/74/03/1081317403.db2.gz XLEJVAHXVJECSZ-IAGOWNOFSA-N 1 0 423.558 0.133 20 0 HCADRO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673583228 1081317241 /nfs/dbraw/zinc/31/72/41/1081317241.db2.gz XLEJVAHXVJECSZ-IRXDYDNUSA-N 1 0 423.558 0.133 20 0 HCADRO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673583229 1081317364 /nfs/dbraw/zinc/31/73/64/1081317364.db2.gz XLEJVAHXVJECSZ-SJORKVTESA-N 1 0 423.558 0.133 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000673583281 1081316757 /nfs/dbraw/zinc/31/67/57/1081316757.db2.gz JHVVVPLWECBUFU-MOPGFXCFSA-N 1 0 420.579 0.886 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000673583282 1081316847 /nfs/dbraw/zinc/31/68/47/1081316847.db2.gz JHVVVPLWECBUFU-OALUTQOASA-N 1 0 420.579 0.886 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000673583283 1081316891 /nfs/dbraw/zinc/31/68/91/1081316891.db2.gz JHVVVPLWECBUFU-RBUKOAKNSA-N 1 0 420.579 0.886 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000673583284 1081316931 /nfs/dbraw/zinc/31/69/31/1081316931.db2.gz JHVVVPLWECBUFU-RTBURBONSA-N 1 0 420.579 0.886 20 0 HCADRO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583350 1081316750 /nfs/dbraw/zinc/31/67/50/1081316750.db2.gz ZSSNXFUSNYJHAE-GUDVDZBRSA-N 1 0 420.554 0.388 20 0 HCADRO O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583351 1081316857 /nfs/dbraw/zinc/31/68/57/1081316857.db2.gz ZSSNXFUSNYJHAE-IPMKNSEASA-N 1 0 420.554 0.388 20 0 HCADRO O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583352 1081316884 /nfs/dbraw/zinc/31/68/84/1081316884.db2.gz ZSSNXFUSNYJHAE-OTWHNJEPSA-N 1 0 420.554 0.388 20 0 HCADRO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583353 1081316832 /nfs/dbraw/zinc/31/68/32/1081316832.db2.gz ZSSNXFUSNYJHAE-QRVBRYPASA-N 1 0 420.554 0.388 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000673583354 1081316772 /nfs/dbraw/zinc/31/67/72/1081316772.db2.gz ABSWHUBNMYQYQU-LEWJYISDSA-N 1 0 414.550 0.825 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000673583355 1081316940 /nfs/dbraw/zinc/31/69/40/1081316940.db2.gz ABSWHUBNMYQYQU-NHCUHLMSSA-N 1 0 414.550 0.825 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000673583356 1081317305 /nfs/dbraw/zinc/31/73/05/1081317305.db2.gz ABSWHUBNMYQYQU-RTWAWAEBSA-N 1 0 414.550 0.825 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000673583357 1081317410 /nfs/dbraw/zinc/31/74/10/1081317410.db2.gz ABSWHUBNMYQYQU-SFTDATJTSA-N 1 0 414.550 0.825 20 0 HCADRO COc1nc(C)cc(C)c1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583503 1081316796 /nfs/dbraw/zinc/31/67/96/1081316796.db2.gz VDBXUPYFBJNZIP-MSOLQXFVSA-N 1 0 404.511 0.817 20 0 HCADRO COc1nc(C)cc(C)c1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583504 1081316790 /nfs/dbraw/zinc/31/67/90/1081316790.db2.gz VDBXUPYFBJNZIP-QZTJIDSGSA-N 1 0 404.511 0.817 20 0 HCADRO COc1nc(C)cc(C)c1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673583505 1081316924 /nfs/dbraw/zinc/31/69/24/1081316924.db2.gz VDBXUPYFBJNZIP-ROUUACIJSA-N 1 0 404.511 0.817 20 0 HCADRO COc1nc(C)cc(C)c1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673583506 1081316867 /nfs/dbraw/zinc/31/68/67/1081316867.db2.gz VDBXUPYFBJNZIP-ZWKOTPCHSA-N 1 0 404.511 0.817 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000673583507 1081316728 /nfs/dbraw/zinc/31/67/28/1081316728.db2.gz WNVAQQZOBJJFFX-AABGKKOBSA-N 1 0 400.523 0.783 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000673583508 1081316901 /nfs/dbraw/zinc/31/69/01/1081316901.db2.gz WNVAQQZOBJJFFX-AQNXPRMDSA-N 1 0 400.523 0.783 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000673583509 1081316805 /nfs/dbraw/zinc/31/68/05/1081316805.db2.gz WNVAQQZOBJJFFX-HSALFYBXSA-N 1 0 400.523 0.783 20 0 HCADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000673583510 1081321825 /nfs/dbraw/zinc/32/18/25/1081321825.db2.gz WNVAQQZOBJJFFX-VAMGGRTRSA-N 1 0 400.523 0.783 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000673583612 1081323584 /nfs/dbraw/zinc/32/35/84/1081323584.db2.gz KDHUSFIMZIXZOX-DFQSSKMNSA-N 1 0 400.523 0.967 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000673583613 1081323658 /nfs/dbraw/zinc/32/36/58/1081323658.db2.gz KDHUSFIMZIXZOX-MISYRCLQSA-N 1 0 400.523 0.967 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000673583614 1081323644 /nfs/dbraw/zinc/32/36/44/1081323644.db2.gz KDHUSFIMZIXZOX-RLLQIKCJSA-N 1 0 400.523 0.967 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000673583615 1081323598 /nfs/dbraw/zinc/32/35/98/1081323598.db2.gz KDHUSFIMZIXZOX-SXLOBPIMSA-N 1 0 400.523 0.967 20 0 HCADRO CN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCCc2c1cnn2C ZINC000673583717 1081323683 /nfs/dbraw/zinc/32/36/83/1081323683.db2.gz WOQLIOVVMHDIND-BHIYHBOVSA-N 1 0 403.527 0.750 20 0 HCADRO CN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CCCc2c1cnn2C ZINC000673583723 1081323613 /nfs/dbraw/zinc/32/36/13/1081323613.db2.gz WOQLIOVVMHDIND-QRQLOZEOSA-N 1 0 403.527 0.750 20 0 HCADRO CN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CCCc2c1cnn2C ZINC000673583725 1081323690 /nfs/dbraw/zinc/32/36/90/1081323690.db2.gz WOQLIOVVMHDIND-QXAKKESOSA-N 1 0 403.527 0.750 20 0 HCADRO CN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CCCc2c1cnn2C ZINC000673583727 1081324091 /nfs/dbraw/zinc/32/40/91/1081324091.db2.gz WOQLIOVVMHDIND-UHOSZYNNSA-N 1 0 403.527 0.750 20 0 HCADRO CC(C)N1C(=O)CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000673583735 1081324174 /nfs/dbraw/zinc/32/41/74/1081324174.db2.gz CPYZIJFUWWDGCP-DLBZAZTESA-N 1 0 408.543 0.338 20 0 HCADRO CC(C)N1C(=O)CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000673583737 1081324128 /nfs/dbraw/zinc/32/41/28/1081324128.db2.gz CPYZIJFUWWDGCP-IAGOWNOFSA-N 1 0 408.543 0.338 20 0 HCADRO CC(C)N1C(=O)CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000673583739 1081324046 /nfs/dbraw/zinc/32/40/46/1081324046.db2.gz CPYZIJFUWWDGCP-IRXDYDNUSA-N 1 0 408.543 0.338 20 0 HCADRO CC(C)N1C(=O)CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000673583741 1081324197 /nfs/dbraw/zinc/32/41/97/1081324197.db2.gz CPYZIJFUWWDGCP-SJORKVTESA-N 1 0 408.543 0.338 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H](C(F)(F)F)O1 ZINC000673583862 1081323662 /nfs/dbraw/zinc/32/36/62/1081323662.db2.gz OLUMSRPXRWXSAI-NGFQHRJXSA-N 1 0 407.433 0.659 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H](C(F)(F)F)O1 ZINC000673583863 1081323632 /nfs/dbraw/zinc/32/36/32/1081323632.db2.gz OLUMSRPXRWXSAI-NMFUWQPSSA-N 1 0 407.433 0.659 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H](C(F)(F)F)O1 ZINC000673583864 1081323602 /nfs/dbraw/zinc/32/36/02/1081323602.db2.gz OLUMSRPXRWXSAI-REBRKWNGSA-N 1 0 407.433 0.659 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H](C(F)(F)F)O1 ZINC000673583865 1081323696 /nfs/dbraw/zinc/32/36/96/1081323696.db2.gz OLUMSRPXRWXSAI-RZFFKMDDSA-N 1 0 407.433 0.659 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583870 1081323622 /nfs/dbraw/zinc/32/36/22/1081323622.db2.gz OYMVIBLSXUBVCN-MSOLQXFVSA-N 1 0 404.511 0.979 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583871 1081323677 /nfs/dbraw/zinc/32/36/77/1081323677.db2.gz OYMVIBLSXUBVCN-QZTJIDSGSA-N 1 0 404.511 0.979 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673583872 1081323640 /nfs/dbraw/zinc/32/36/40/1081323640.db2.gz OYMVIBLSXUBVCN-ROUUACIJSA-N 1 0 404.511 0.979 20 0 HCADRO CC(C)Oc1ncccc1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673583873 1081323590 /nfs/dbraw/zinc/32/35/90/1081323590.db2.gz OYMVIBLSXUBVCN-ZWKOTPCHSA-N 1 0 404.511 0.979 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N(CCO)CCc1ccccc1 ZINC000673584041 1081322449 /nfs/dbraw/zinc/32/24/49/1081322449.db2.gz JYZBBIHEFKRUGC-PMACEKPBSA-N 1 0 403.523 0.544 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N(CCO)CCc1ccccc1 ZINC000673584042 1081322394 /nfs/dbraw/zinc/32/23/94/1081322394.db2.gz JYZBBIHEFKRUGC-UXHICEINSA-N 1 0 403.523 0.544 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N(CCO)CCc1ccccc1 ZINC000673584043 1081322303 /nfs/dbraw/zinc/32/23/03/1081322303.db2.gz JYZBBIHEFKRUGC-VQTJNVASSA-N 1 0 403.523 0.544 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N(CCO)CCc1ccccc1 ZINC000673584044 1081322284 /nfs/dbraw/zinc/32/22/84/1081322284.db2.gz JYZBBIHEFKRUGC-WOJBJXKFSA-N 1 0 403.523 0.544 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000673584084 1081322767 /nfs/dbraw/zinc/32/27/67/1081322767.db2.gz PJQNKJONDMBSIE-MSOLQXFVSA-N 1 0 419.501 0.363 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000673584085 1081322782 /nfs/dbraw/zinc/32/27/82/1081322782.db2.gz PJQNKJONDMBSIE-QZTJIDSGSA-N 1 0 419.501 0.363 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000673584086 1081322772 /nfs/dbraw/zinc/32/27/72/1081322772.db2.gz PJQNKJONDMBSIE-ROUUACIJSA-N 1 0 419.501 0.363 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000673584087 1081322743 /nfs/dbraw/zinc/32/27/43/1081322743.db2.gz PJQNKJONDMBSIE-ZWKOTPCHSA-N 1 0 419.501 0.363 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccnn1C ZINC000673584088 1081322799 /nfs/dbraw/zinc/32/27/99/1081322799.db2.gz PLSJXNIBKJZFCH-QXAKKESOSA-N 1 0 405.543 0.770 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccnn1C ZINC000673584089 1081322751 /nfs/dbraw/zinc/32/27/51/1081322751.db2.gz PLSJXNIBKJZFCH-UHOSZYNNSA-N 1 0 405.543 0.770 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccnn1C ZINC000673584090 1081322757 /nfs/dbraw/zinc/32/27/57/1081322757.db2.gz PLSJXNIBKJZFCH-WDSOQIARSA-N 1 0 405.543 0.770 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccnn1C ZINC000673584091 1081322794 /nfs/dbraw/zinc/32/27/94/1081322794.db2.gz PLSJXNIBKJZFCH-YTQUADARSA-N 1 0 405.543 0.770 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]3CCC[C@H]3O)CC1)C2 ZINC000673584161 1081322803 /nfs/dbraw/zinc/32/28/03/1081322803.db2.gz VJZGGXDEWGQRRY-FGTMMUONSA-N 1 0 417.506 0.609 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)C2 ZINC000673584162 1081322776 /nfs/dbraw/zinc/32/27/76/1081322776.db2.gz VJZGGXDEWGQRRY-KURKYZTESA-N 1 0 417.506 0.609 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)C2 ZINC000673584163 1081322738 /nfs/dbraw/zinc/32/27/38/1081322738.db2.gz VJZGGXDEWGQRRY-KZNAEPCWSA-N 1 0 417.506 0.609 20 0 HCADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)C2 ZINC000673584164 1081322747 /nfs/dbraw/zinc/32/27/47/1081322747.db2.gz VJZGGXDEWGQRRY-SQNIBIBYSA-N 1 0 417.506 0.609 20 0 HCADRO COCCOc1cccc(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000673584165 1081322770 /nfs/dbraw/zinc/32/27/70/1081322770.db2.gz WHHQYXWHASXVLY-PMACEKPBSA-N 1 0 419.522 0.822 20 0 HCADRO COCCOc1cccc(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000673584166 1081322786 /nfs/dbraw/zinc/32/27/86/1081322786.db2.gz WHHQYXWHASXVLY-UXHICEINSA-N 1 0 419.522 0.822 20 0 HCADRO COCCOc1cccc(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000673584167 1081322764 /nfs/dbraw/zinc/32/27/64/1081322764.db2.gz WHHQYXWHASXVLY-VQTJNVASSA-N 1 0 419.522 0.822 20 0 HCADRO COCCOc1cccc(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000673584168 1081322778 /nfs/dbraw/zinc/32/27/78/1081322778.db2.gz WHHQYXWHASXVLY-WOJBJXKFSA-N 1 0 419.522 0.822 20 0 HCADRO O=C(NCCN1CCc2ccccc2C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673584198 1081322313 /nfs/dbraw/zinc/32/23/13/1081322313.db2.gz AGVAQZQMLUONAA-LEWJYISDSA-N 1 0 414.550 0.655 20 0 HCADRO O=C(NCCN1CCc2ccccc2C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584199 1081322401 /nfs/dbraw/zinc/32/24/01/1081322401.db2.gz AGVAQZQMLUONAA-NHCUHLMSSA-N 1 0 414.550 0.655 20 0 HCADRO O=C(NCCN1CCc2ccccc2C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584200 1081322462 /nfs/dbraw/zinc/32/24/62/1081322462.db2.gz AGVAQZQMLUONAA-RTWAWAEBSA-N 1 0 414.550 0.655 20 0 HCADRO O=C(NCCN1CCc2ccccc2C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673584201 1081322370 /nfs/dbraw/zinc/32/23/70/1081322370.db2.gz AGVAQZQMLUONAA-SFTDATJTSA-N 1 0 414.550 0.655 20 0 HCADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584372 1081321882 /nfs/dbraw/zinc/32/18/82/1081321882.db2.gz YTGSJFWOUHYEBZ-MSOLQXFVSA-N 1 0 410.559 0.050 20 0 HCADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584373 1081322003 /nfs/dbraw/zinc/32/20/03/1081322003.db2.gz YTGSJFWOUHYEBZ-QZTJIDSGSA-N 1 0 410.559 0.050 20 0 HCADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673584374 1081321980 /nfs/dbraw/zinc/32/19/80/1081321980.db2.gz YTGSJFWOUHYEBZ-ROUUACIJSA-N 1 0 410.559 0.050 20 0 HCADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673584375 1081321905 /nfs/dbraw/zinc/32/19/05/1081321905.db2.gz YTGSJFWOUHYEBZ-ZWKOTPCHSA-N 1 0 410.559 0.050 20 0 HCADRO O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584376 1081322346 /nfs/dbraw/zinc/32/23/46/1081322346.db2.gz YTKASBBJQCRMRY-KSZLIROESA-N 1 0 401.511 0.271 20 0 HCADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584377 1081322489 /nfs/dbraw/zinc/32/24/89/1081322489.db2.gz YTKASBBJQCRMRY-KURKYZTESA-N 1 0 401.511 0.271 20 0 HCADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584378 1081322332 /nfs/dbraw/zinc/32/23/32/1081322332.db2.gz YTKASBBJQCRMRY-KZNAEPCWSA-N 1 0 401.511 0.271 20 0 HCADRO O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584379 1081322418 /nfs/dbraw/zinc/32/24/18/1081322418.db2.gz YTKASBBJQCRMRY-RCCFBDPRSA-N 1 0 401.511 0.271 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000673584426 1081322364 /nfs/dbraw/zinc/32/23/64/1081322364.db2.gz DUEUTOVFQICBGG-PMACEKPBSA-N 1 0 416.522 0.535 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000673584427 1081322482 /nfs/dbraw/zinc/32/24/82/1081322482.db2.gz DUEUTOVFQICBGG-UXHICEINSA-N 1 0 416.522 0.535 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000673584428 1081322295 /nfs/dbraw/zinc/32/22/95/1081322295.db2.gz DUEUTOVFQICBGG-VQTJNVASSA-N 1 0 416.522 0.535 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000673584429 1081322432 /nfs/dbraw/zinc/32/24/32/1081322432.db2.gz DUEUTOVFQICBGG-WOJBJXKFSA-N 1 0 416.522 0.535 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000673584656 1081328502 /nfs/dbraw/zinc/32/85/02/1081328502.db2.gz MLHVHSWAIRAYDS-KSZLIROESA-N 1 0 406.527 0.094 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000673584657 1081328438 /nfs/dbraw/zinc/32/84/38/1081328438.db2.gz MLHVHSWAIRAYDS-KURKYZTESA-N 1 0 406.527 0.094 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000673584658 1081328567 /nfs/dbraw/zinc/32/85/67/1081328567.db2.gz MLHVHSWAIRAYDS-KZNAEPCWSA-N 1 0 406.527 0.094 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000673584659 1081328488 /nfs/dbraw/zinc/32/84/88/1081328488.db2.gz MLHVHSWAIRAYDS-RCCFBDPRSA-N 1 0 406.527 0.094 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000673584676 1081328828 /nfs/dbraw/zinc/32/88/28/1081328828.db2.gz OHWNZYDAOWUZBN-MOPGFXCFSA-N 1 0 414.506 0.356 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000673584677 1081328867 /nfs/dbraw/zinc/32/88/67/1081328867.db2.gz OHWNZYDAOWUZBN-OALUTQOASA-N 1 0 414.506 0.356 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000673584678 1081328833 /nfs/dbraw/zinc/32/88/33/1081328833.db2.gz OHWNZYDAOWUZBN-RBUKOAKNSA-N 1 0 414.506 0.356 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000673584679 1081329245 /nfs/dbraw/zinc/32/92/45/1081329245.db2.gz OHWNZYDAOWUZBN-RTBURBONSA-N 1 0 414.506 0.356 20 0 HCADRO CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)Cc2ccccc21 ZINC000673584693 1081329253 /nfs/dbraw/zinc/32/92/53/1081329253.db2.gz QFGVFUHBHUTGKM-PMACEKPBSA-N 1 0 400.523 0.959 20 0 HCADRO CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)Cc2ccccc21 ZINC000673584694 1081329295 /nfs/dbraw/zinc/32/92/95/1081329295.db2.gz QFGVFUHBHUTGKM-UXHICEINSA-N 1 0 400.523 0.959 20 0 HCADRO CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)Cc2ccccc21 ZINC000673584695 1081329135 /nfs/dbraw/zinc/32/91/35/1081329135.db2.gz QFGVFUHBHUTGKM-VQTJNVASSA-N 1 0 400.523 0.959 20 0 HCADRO CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)Cc2ccccc21 ZINC000673584696 1081329099 /nfs/dbraw/zinc/32/90/99/1081329099.db2.gz QFGVFUHBHUTGKM-WOJBJXKFSA-N 1 0 400.523 0.959 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584893 1081321962 /nfs/dbraw/zinc/32/19/62/1081321962.db2.gz CMTDSCXJXGPBPW-MSOLQXFVSA-N 1 0 408.543 0.389 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584894 1081321942 /nfs/dbraw/zinc/32/19/42/1081321942.db2.gz CMTDSCXJXGPBPW-QZTJIDSGSA-N 1 0 408.543 0.389 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673584895 1081321853 /nfs/dbraw/zinc/32/18/53/1081321853.db2.gz CMTDSCXJXGPBPW-ROUUACIJSA-N 1 0 408.543 0.389 20 0 HCADRO O=C(NCCCN1CCCCCC1=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673584896 1081321935 /nfs/dbraw/zinc/32/19/35/1081321935.db2.gz CMTDSCXJXGPBPW-ZWKOTPCHSA-N 1 0 408.543 0.389 20 0 HCADRO COc1ccc(COCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000673584938 1081319937 /nfs/dbraw/zinc/31/99/37/1081319937.db2.gz MNJPFZDAISVIKW-PMACEKPBSA-N 1 0 419.522 0.822 20 0 HCADRO COc1ccc(COCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000673584939 1081319753 /nfs/dbraw/zinc/31/97/53/1081319753.db2.gz MNJPFZDAISVIKW-UXHICEINSA-N 1 0 419.522 0.822 20 0 HCADRO COc1ccc(COCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000673584940 1081319699 /nfs/dbraw/zinc/31/96/99/1081319699.db2.gz MNJPFZDAISVIKW-VQTJNVASSA-N 1 0 419.522 0.822 20 0 HCADRO COc1ccc(COCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000673584941 1081319867 /nfs/dbraw/zinc/31/98/67/1081319867.db2.gz MNJPFZDAISVIKW-WOJBJXKFSA-N 1 0 419.522 0.822 20 0 HCADRO C[NH+](C)CCOc1cnccc1CNC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000673584971 1081319801 /nfs/dbraw/zinc/31/98/01/1081319801.db2.gz SXGAYPUAAYYAIM-UHFFFAOYSA-N 1 0 407.496 0.669 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000673585081 1081319266 /nfs/dbraw/zinc/31/92/66/1081319266.db2.gz FHDRTTQNFTZSDT-CKEIUWERSA-N 1 0 407.433 0.396 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000673585082 1081319285 /nfs/dbraw/zinc/31/92/85/1081319285.db2.gz FHDRTTQNFTZSDT-CPUCHLNUSA-N 1 0 407.433 0.396 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000673585083 1081319349 /nfs/dbraw/zinc/31/93/49/1081319349.db2.gz FHDRTTQNFTZSDT-JKIFEVAISA-N 1 0 407.433 0.396 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000673585084 1081319373 /nfs/dbraw/zinc/31/93/73/1081319373.db2.gz FHDRTTQNFTZSDT-KEYYUXOJSA-N 1 0 407.433 0.396 20 0 HCADRO CN(Cc1cn2c(n1)CCCC2)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673585204 1081319301 /nfs/dbraw/zinc/31/93/01/1081319301.db2.gz IAVLKUNKOLPZNK-MSOLQXFVSA-N 1 0 403.527 0.672 20 0 HCADRO CN(Cc1cn2c(n1)CCCC2)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673585205 1081319676 /nfs/dbraw/zinc/31/96/76/1081319676.db2.gz IAVLKUNKOLPZNK-QZTJIDSGSA-N 1 0 403.527 0.672 20 0 HCADRO CN(Cc1cn2c(n1)CCCC2)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673585206 1081319766 /nfs/dbraw/zinc/31/97/66/1081319766.db2.gz IAVLKUNKOLPZNK-ROUUACIJSA-N 1 0 403.527 0.672 20 0 HCADRO CN(Cc1cn2c(n1)CCCC2)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673585207 1081319334 /nfs/dbraw/zinc/31/93/34/1081319334.db2.gz IAVLKUNKOLPZNK-ZWKOTPCHSA-N 1 0 403.527 0.672 20 0 HCADRO Cn1cc(N2CCN(C(=O)NCc3ccncc3OCC[NH+](C)C)CC2=O)cn1 ZINC000673585220 1081319274 /nfs/dbraw/zinc/31/92/74/1081319274.db2.gz LPOSHKDEEZWTHJ-UHFFFAOYSA-N 1 0 401.471 0.314 20 0 HCADRO C[NH+](C)CCOc1cnccc1CNC(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000673585382 1081324227 /nfs/dbraw/zinc/32/42/27/1081324227.db2.gz MPABGFGMDPRZLB-UHFFFAOYSA-N 1 0 404.471 0.342 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCOC2(CCOCC2)C1 ZINC000673585415 1081324082 /nfs/dbraw/zinc/32/40/82/1081324082.db2.gz SBYIOHKZZJDDDW-MSOLQXFVSA-N 1 0 409.527 0.279 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCOC2(CCOCC2)C1 ZINC000673585416 1081324507 /nfs/dbraw/zinc/32/45/07/1081324507.db2.gz SBYIOHKZZJDDDW-QZTJIDSGSA-N 1 0 409.527 0.279 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCOC2(CCOCC2)C1 ZINC000673585417 1081324664 /nfs/dbraw/zinc/32/46/64/1081324664.db2.gz SBYIOHKZZJDDDW-ROUUACIJSA-N 1 0 409.527 0.279 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)N1CCOC2(CCOCC2)C1 ZINC000673585418 1081324485 /nfs/dbraw/zinc/32/44/85/1081324485.db2.gz SBYIOHKZZJDDDW-ZWKOTPCHSA-N 1 0 409.527 0.279 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673585423 1081324582 /nfs/dbraw/zinc/32/45/82/1081324582.db2.gz VYLJTLQLPKHNCT-AQNXPRMDSA-N 1 0 422.570 0.194 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673585424 1081324531 /nfs/dbraw/zinc/32/45/31/1081324531.db2.gz VYLJTLQLPKHNCT-VAMGGRTRSA-N 1 0 422.570 0.194 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673585425 1081324683 /nfs/dbraw/zinc/32/46/83/1081324683.db2.gz VYLJTLQLPKHNCT-XUVXKRRUSA-N 1 0 422.570 0.194 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673585426 1081324647 /nfs/dbraw/zinc/32/46/47/1081324647.db2.gz VYLJTLQLPKHNCT-ZCNNSNEGSA-N 1 0 422.570 0.194 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000673585442 1081319269 /nfs/dbraw/zinc/31/92/69/1081319269.db2.gz YSTOJTCZSSKXLD-ATZDWAIDSA-N 1 0 403.527 1.000 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000673585443 1081319380 /nfs/dbraw/zinc/31/93/80/1081319380.db2.gz YSTOJTCZSSKXLD-IPELMVKDSA-N 1 0 403.527 1.000 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000673585444 1081319325 /nfs/dbraw/zinc/31/93/25/1081319325.db2.gz YSTOJTCZSSKXLD-KFKAGJAMSA-N 1 0 403.527 1.000 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000673585445 1081319295 /nfs/dbraw/zinc/31/92/95/1081319295.db2.gz YSTOJTCZSSKXLD-LZQZEXGQSA-N 1 0 403.527 1.000 20 0 HCADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000673585540 1081329162 /nfs/dbraw/zinc/32/91/62/1081329162.db2.gz OQJDILZOVPTSKC-KRWDZBQOSA-N 1 0 420.558 0.764 20 0 HCADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000673585541 1081329287 /nfs/dbraw/zinc/32/92/87/1081329287.db2.gz OQJDILZOVPTSKC-QGZVFWFLSA-N 1 0 420.558 0.764 20 0 HCADRO CC1(C)CN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000673585598 1081329111 /nfs/dbraw/zinc/32/91/11/1081329111.db2.gz ZBVJBNFNQOIFKF-MSOLQXFVSA-N 1 0 410.559 0.098 20 0 HCADRO CC1(C)CN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000673585599 1081329202 /nfs/dbraw/zinc/32/92/02/1081329202.db2.gz ZBVJBNFNQOIFKF-QZTJIDSGSA-N 1 0 410.559 0.098 20 0 HCADRO CC1(C)CN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000673585600 1081329270 /nfs/dbraw/zinc/32/92/70/1081329270.db2.gz ZBVJBNFNQOIFKF-ROUUACIJSA-N 1 0 410.559 0.098 20 0 HCADRO CC1(C)CN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000673585601 1081329172 /nfs/dbraw/zinc/32/91/72/1081329172.db2.gz ZBVJBNFNQOIFKF-ZWKOTPCHSA-N 1 0 410.559 0.098 20 0 HCADRO COCCO[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000673585607 1081329280 /nfs/dbraw/zinc/32/92/80/1081329280.db2.gz ZYUNZVDVPMVCOQ-CEXWTWQISA-N 1 0 411.543 0.525 20 0 HCADRO COCCO[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000673585608 1081329124 /nfs/dbraw/zinc/32/91/24/1081329124.db2.gz ZYUNZVDVPMVCOQ-GUDVDZBRSA-N 1 0 411.543 0.525 20 0 HCADRO COCCO[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000673585609 1081329212 /nfs/dbraw/zinc/32/92/12/1081329212.db2.gz ZYUNZVDVPMVCOQ-QRVBRYPASA-N 1 0 411.543 0.525 20 0 HCADRO COCCO[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000673585610 1081329191 /nfs/dbraw/zinc/32/91/91/1081329191.db2.gz ZYUNZVDVPMVCOQ-QYZOEREBSA-N 1 0 411.543 0.525 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)N(CCO)CCc1ccccc1 ZINC000673585747 1081325948 /nfs/dbraw/zinc/32/59/48/1081325948.db2.gz GKIJDWQKRFPHNQ-LEWJYISDSA-N 1 0 417.550 0.934 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N(CCO)CCc1ccccc1 ZINC000673585748 1081325820 /nfs/dbraw/zinc/32/58/20/1081325820.db2.gz GKIJDWQKRFPHNQ-NHCUHLMSSA-N 1 0 417.550 0.934 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N(CCO)CCc1ccccc1 ZINC000673585749 1081325900 /nfs/dbraw/zinc/32/59/00/1081325900.db2.gz GKIJDWQKRFPHNQ-RTWAWAEBSA-N 1 0 417.550 0.934 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N(CCO)CCc1ccccc1 ZINC000673585750 1081325884 /nfs/dbraw/zinc/32/58/84/1081325884.db2.gz GKIJDWQKRFPHNQ-SFTDATJTSA-N 1 0 417.550 0.934 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000673585842 1081325361 /nfs/dbraw/zinc/32/53/61/1081325361.db2.gz BLDLXBASWRRSMC-FJIDUMEYSA-N 1 0 406.527 0.140 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000673585843 1081325485 /nfs/dbraw/zinc/32/54/85/1081325485.db2.gz BLDLXBASWRRSMC-MLHJIOFPSA-N 1 0 406.527 0.140 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000673585844 1081325434 /nfs/dbraw/zinc/32/54/34/1081325434.db2.gz BLDLXBASWRRSMC-TVFCKZIOSA-N 1 0 406.527 0.140 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000673585845 1081325411 /nfs/dbraw/zinc/32/54/11/1081325411.db2.gz BLDLXBASWRRSMC-XDNAFOTISA-N 1 0 406.527 0.140 20 0 HCADRO Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000673585905 1081325845 /nfs/dbraw/zinc/32/58/45/1081325845.db2.gz PJEVTKOYLHFLPE-IKGGRYGDSA-N 1 0 404.515 0.363 20 0 HCADRO Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000673585906 1081325876 /nfs/dbraw/zinc/32/58/76/1081325876.db2.gz PJEVTKOYLHFLPE-IXDOHACOSA-N 1 0 404.515 0.363 20 0 HCADRO Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000673585907 1081325928 /nfs/dbraw/zinc/32/59/28/1081325928.db2.gz PJEVTKOYLHFLPE-ULQDDVLXSA-N 1 0 404.515 0.363 20 0 HCADRO Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000673585908 1081325811 /nfs/dbraw/zinc/32/58/11/1081325811.db2.gz PJEVTKOYLHFLPE-YESZJQIVSA-N 1 0 404.515 0.363 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000673585965 1081325048 /nfs/dbraw/zinc/32/50/48/1081325048.db2.gz WZVROEVOKDBRBV-MSOLQXFVSA-N 1 0 402.495 0.556 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000673585966 1081325012 /nfs/dbraw/zinc/32/50/12/1081325012.db2.gz WZVROEVOKDBRBV-QZTJIDSGSA-N 1 0 402.495 0.556 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000673585967 1081325070 /nfs/dbraw/zinc/32/50/70/1081325070.db2.gz WZVROEVOKDBRBV-ROUUACIJSA-N 1 0 402.495 0.556 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000673585968 1081325476 /nfs/dbraw/zinc/32/54/76/1081325476.db2.gz WZVROEVOKDBRBV-ZWKOTPCHSA-N 1 0 402.495 0.556 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000673586040 1081325482 /nfs/dbraw/zinc/32/54/82/1081325482.db2.gz UGGDSDQXKNRGGN-MSOLQXFVSA-N 1 0 416.526 0.009 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000673586041 1081325353 /nfs/dbraw/zinc/32/53/53/1081325353.db2.gz UGGDSDQXKNRGGN-QZTJIDSGSA-N 1 0 416.526 0.009 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000673586042 1081325339 /nfs/dbraw/zinc/32/53/39/1081325339.db2.gz UGGDSDQXKNRGGN-ROUUACIJSA-N 1 0 416.526 0.009 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000673586043 1081325425 /nfs/dbraw/zinc/32/54/25/1081325425.db2.gz UGGDSDQXKNRGGN-ZWKOTPCHSA-N 1 0 416.526 0.009 20 0 HCADRO C[NH+](C)CCOc1cnccc1CNC(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000673586188 1081325037 /nfs/dbraw/zinc/32/50/37/1081325037.db2.gz CCRXMYUUEAWFSX-HNNXBMFYSA-N 1 0 416.486 0.259 20 0 HCADRO C[NH+](C)CCOc1cnccc1CNC(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000673586189 1081325086 /nfs/dbraw/zinc/32/50/86/1081325086.db2.gz CCRXMYUUEAWFSX-OAHLLOKOSA-N 1 0 416.486 0.259 20 0 HCADRO C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000673586190 1081325093 /nfs/dbraw/zinc/32/50/93/1081325093.db2.gz CCTRYVLZGTYZRW-INIZCTEOSA-N 1 0 413.544 0.635 20 0 HCADRO C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000673586191 1081325033 /nfs/dbraw/zinc/32/50/33/1081325033.db2.gz CCTRYVLZGTYZRW-MRXNPFEDSA-N 1 0 413.544 0.635 20 0 HCADRO CCNC(=O)C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCC1 ZINC000673586204 1081325060 /nfs/dbraw/zinc/32/50/60/1081325060.db2.gz DLVVNMBDWJPOSK-DLBZAZTESA-N 1 0 408.543 0.293 20 0 HCADRO CCNC(=O)C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCC1 ZINC000673586205 1081325028 /nfs/dbraw/zinc/32/50/28/1081325028.db2.gz DLVVNMBDWJPOSK-IAGOWNOFSA-N 1 0 408.543 0.293 20 0 HCADRO CCNC(=O)C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCC1 ZINC000673586206 1081325052 /nfs/dbraw/zinc/32/50/52/1081325052.db2.gz DLVVNMBDWJPOSK-IRXDYDNUSA-N 1 0 408.543 0.293 20 0 HCADRO CCNC(=O)C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCC1 ZINC000673586207 1081325080 /nfs/dbraw/zinc/32/50/80/1081325080.db2.gz DLVVNMBDWJPOSK-SJORKVTESA-N 1 0 408.543 0.293 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000673586367 1081325064 /nfs/dbraw/zinc/32/50/64/1081325064.db2.gz WLHKVUASQBBIAV-FCGDIQPGSA-N 1 0 409.527 0.277 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000673586368 1081325042 /nfs/dbraw/zinc/32/50/42/1081325042.db2.gz WLHKVUASQBBIAV-HCXYKTFWSA-N 1 0 409.527 0.277 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000673586369 1081325089 /nfs/dbraw/zinc/32/50/89/1081325089.db2.gz WLHKVUASQBBIAV-XWSJACJDSA-N 1 0 409.527 0.277 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000673586370 1081325096 /nfs/dbraw/zinc/32/50/96/1081325096.db2.gz WLHKVUASQBBIAV-YDZRNGNQSA-N 1 0 409.527 0.277 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000673586766 1081326775 /nfs/dbraw/zinc/32/67/75/1081326775.db2.gz SNYHPGLBMMCRJS-GUDVDZBRSA-N 1 0 403.527 0.931 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000673586771 1081326842 /nfs/dbraw/zinc/32/68/42/1081326842.db2.gz SNYHPGLBMMCRJS-IPMKNSEASA-N 1 0 403.527 0.931 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000673586772 1081326796 /nfs/dbraw/zinc/32/67/96/1081326796.db2.gz SNYHPGLBMMCRJS-OTWHNJEPSA-N 1 0 403.527 0.931 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000673586774 1081327235 /nfs/dbraw/zinc/32/72/35/1081327235.db2.gz SNYHPGLBMMCRJS-QRVBRYPASA-N 1 0 403.527 0.931 20 0 HCADRO CN(CCN1CCCS1(=O)=O)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000673587386 1081326238 /nfs/dbraw/zinc/32/62/38/1081326238.db2.gz PBAQXJOGPHCZBW-UHFFFAOYSA-N 1 0 413.544 0.589 20 0 HCADRO COCCN1CCCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)CC1=O ZINC000673587466 1081326332 /nfs/dbraw/zinc/32/63/32/1081326332.db2.gz RUFKZLJETAMDRR-UHFFFAOYSA-N 1 0 407.515 0.802 20 0 HCADRO COCC(=O)NC1CCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000673587520 1081327304 /nfs/dbraw/zinc/32/73/04/1081327304.db2.gz NQTMEYADCLHXIZ-UHFFFAOYSA-N 1 0 407.515 0.849 20 0 HCADRO C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673587536 1081327186 /nfs/dbraw/zinc/32/71/86/1081327186.db2.gz UNYZXWKRVUJIQF-GOSISDBHSA-N 1 0 419.526 0.991 20 0 HCADRO C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000673587537 1081327257 /nfs/dbraw/zinc/32/72/57/1081327257.db2.gz UNYZXWKRVUJIQF-SFHVURJKSA-N 1 0 419.526 0.991 20 0 HCADRO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)[N@H+](C)C1 ZINC000673587571 1081327729 /nfs/dbraw/zinc/32/77/29/1081327729.db2.gz IJGJIYHRNHVIPS-JYJNAYRXSA-N 1 0 405.565 0.008 20 0 HCADRO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)[N@H+](C)C1 ZINC000673587572 1081328143 /nfs/dbraw/zinc/32/81/43/1081328143.db2.gz IJGJIYHRNHVIPS-PMPSAXMXSA-N 1 0 405.565 0.008 20 0 HCADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000673587883 1081329615 /nfs/dbraw/zinc/32/96/15/1081329615.db2.gz JPHIZWKSCBMMJF-KRWDZBQOSA-N 1 0 417.576 0.154 20 0 HCADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000673587884 1081329640 /nfs/dbraw/zinc/32/96/40/1081329640.db2.gz JPHIZWKSCBMMJF-QGZVFWFLSA-N 1 0 417.576 0.154 20 0 HCADRO Cn1cc(-c2ccccc2CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000673592025 1081332463 /nfs/dbraw/zinc/33/24/63/1081332463.db2.gz HUZJVDFUHQHGCH-FQEVSTJZSA-N 1 0 424.549 0.942 20 0 HCADRO Cn1cc(-c2ccccc2CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000673592026 1081332399 /nfs/dbraw/zinc/33/23/99/1081332399.db2.gz HUZJVDFUHQHGCH-HXUWFJFHSA-N 1 0 424.549 0.942 20 0 HCADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cnn(CC(F)(F)F)c2)CC1 ZINC000673603493 1081342110 /nfs/dbraw/zinc/34/21/10/1081342110.db2.gz GGNKVQMGAUYYNH-UHFFFAOYSA-N 1 0 405.421 0.367 20 0 HCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000673604228 1081342755 /nfs/dbraw/zinc/34/27/55/1081342755.db2.gz QLDTVVYHPJJLNU-AWEZNQCLSA-N 1 0 405.421 0.631 20 0 HCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000673604229 1081342829 /nfs/dbraw/zinc/34/28/29/1081342829.db2.gz QLDTVVYHPJJLNU-CQSZACIVSA-N 1 0 405.421 0.631 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)CC2)C1 ZINC000673604252 1081342741 /nfs/dbraw/zinc/34/27/41/1081342741.db2.gz YBANAHUEDQKMLD-HNNXBMFYSA-N 1 0 416.448 0.300 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)CC2)C1 ZINC000673604253 1081342850 /nfs/dbraw/zinc/34/28/50/1081342850.db2.gz YBANAHUEDQKMLD-OAHLLOKOSA-N 1 0 416.448 0.300 20 0 HCADRO CN(C)c1cccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000673604611 1081343225 /nfs/dbraw/zinc/34/32/25/1081343225.db2.gz CMWATBYEESFBJG-GOSISDBHSA-N 1 0 402.543 0.391 20 0 HCADRO CN(C)c1cccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000673604612 1081343125 /nfs/dbraw/zinc/34/31/25/1081343125.db2.gz CMWATBYEESFBJG-SFHVURJKSA-N 1 0 402.543 0.391 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCc3cccc(N(C)C)n3)CC2)CC1 ZINC000673604983 1081343976 /nfs/dbraw/zinc/34/39/76/1081343976.db2.gz KJOTYALGYCVLKJ-UHFFFAOYSA-N 1 0 416.570 0.781 20 0 HCADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCc3cccc(N(C)C)n3)CC2)CC1 ZINC000673605329 1081344073 /nfs/dbraw/zinc/34/40/73/1081344073.db2.gz PVQQBVUIPLVSPG-UHFFFAOYSA-N 1 0 416.570 0.781 20 0 HCADRO Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC2)nc(C)n1 ZINC000673608200 1081347415 /nfs/dbraw/zinc/34/74/15/1081347415.db2.gz BIBQRUSUIOEJED-UHFFFAOYSA-N 1 0 423.521 0.922 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3nnc4n3CCC[C@@H]4C(F)(F)F)[C@H]2C1 ZINC000673614528 1081356930 /nfs/dbraw/zinc/35/69/30/1081356930.db2.gz MQRFOTSKXBZOLB-AGIUHOORSA-N 1 0 414.432 0.887 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3nnc4n3CCC[C@@H]4C(F)(F)F)[C@@H]2C1 ZINC000673614531 1081356964 /nfs/dbraw/zinc/35/69/64/1081356964.db2.gz MQRFOTSKXBZOLB-FRRDWIJNSA-N 1 0 414.432 0.887 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3nnc4n3CCC[C@H]4C(F)(F)F)[C@@H]2C1 ZINC000673614534 1081357004 /nfs/dbraw/zinc/35/70/04/1081357004.db2.gz MQRFOTSKXBZOLB-JHJVBQTASA-N 1 0 414.432 0.887 20 0 HCADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3nnc4n3CCC[C@H]4C(F)(F)F)[C@H]2C1 ZINC000673614536 1081356912 /nfs/dbraw/zinc/35/69/12/1081356912.db2.gz MQRFOTSKXBZOLB-UPJWGTAASA-N 1 0 414.432 0.887 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3CCCn4cc(C)nc43)CC2)c1 ZINC000673618799 1081364013 /nfs/dbraw/zinc/36/40/13/1081364013.db2.gz ODADVECTNONDEB-INIZCTEOSA-N 1 0 412.494 0.938 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3CCCn4cc(C)nc43)CC2)c1 ZINC000673618800 1081364331 /nfs/dbraw/zinc/36/43/31/1081364331.db2.gz ODADVECTNONDEB-MRXNPFEDSA-N 1 0 412.494 0.938 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCn3cc(C)nc32)CC1 ZINC000673618939 1081364180 /nfs/dbraw/zinc/36/41/80/1081364180.db2.gz CWQLAWSLLXWMFH-KRWDZBQOSA-N 1 0 418.542 0.198 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCn3cc(C)nc32)CC1 ZINC000673618940 1081364035 /nfs/dbraw/zinc/36/40/35/1081364035.db2.gz CWQLAWSLLXWMFH-QGZVFWFLSA-N 1 0 418.542 0.198 20 0 HCADRO Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC000673621093 1081368246 /nfs/dbraw/zinc/36/82/46/1081368246.db2.gz ZCGLPUZXEIVSBM-UHFFFAOYSA-N 1 0 413.478 0.634 20 0 HCADRO CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000673621876 1081371469 /nfs/dbraw/zinc/37/14/69/1081371469.db2.gz LOUFHYAKJVMHMH-SJORKVTESA-N 1 0 413.522 0.708 20 0 HCADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000673626253 1081376228 /nfs/dbraw/zinc/37/62/28/1081376228.db2.gz ISDJREVEWJZAAQ-INIZCTEOSA-N 1 0 401.511 0.471 20 0 HCADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000673626254 1081376332 /nfs/dbraw/zinc/37/63/32/1081376332.db2.gz ISDJREVEWJZAAQ-MRXNPFEDSA-N 1 0 401.511 0.471 20 0 HCADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000673626282 1081376285 /nfs/dbraw/zinc/37/62/85/1081376285.db2.gz KYCHXGDIAXRYKS-HNNXBMFYSA-N 1 0 408.524 0.868 20 0 HCADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000673626283 1081376075 /nfs/dbraw/zinc/37/60/75/1081376075.db2.gz KYCHXGDIAXRYKS-OAHLLOKOSA-N 1 0 408.524 0.868 20 0 HCADRO NC(=O)c1cc(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)ccc1F ZINC000673626285 1081376265 /nfs/dbraw/zinc/37/62/65/1081376265.db2.gz LAYYRGMOKJZUTN-UHFFFAOYSA-N 1 0 406.458 0.967 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000673626503 1081376377 /nfs/dbraw/zinc/37/63/77/1081376377.db2.gz YPTMLQPOGIBVDP-KRWDZBQOSA-N 1 0 415.538 0.861 20 0 HCADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000673626504 1081376169 /nfs/dbraw/zinc/37/61/69/1081376169.db2.gz YPTMLQPOGIBVDP-QGZVFWFLSA-N 1 0 415.538 0.861 20 0 HCADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627741 1081376471 /nfs/dbraw/zinc/37/64/71/1081376471.db2.gz TYFDTBCCPXTPLH-HNNXBMFYSA-N 1 0 418.585 0.165 20 0 HCADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627746 1081376418 /nfs/dbraw/zinc/37/64/18/1081376418.db2.gz TYFDTBCCPXTPLH-OAHLLOKOSA-N 1 0 418.585 0.165 20 0 HCADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627865 1081376458 /nfs/dbraw/zinc/37/64/58/1081376458.db2.gz WBHGESZWLLCUCG-HKUYNNGSSA-N 1 0 410.584 0.994 20 0 HCADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627866 1081376312 /nfs/dbraw/zinc/37/63/12/1081376312.db2.gz WBHGESZWLLCUCG-IEBWSBKVSA-N 1 0 410.584 0.994 20 0 HCADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627867 1081376104 /nfs/dbraw/zinc/37/61/04/1081376104.db2.gz WBHGESZWLLCUCG-MJGOQNOKSA-N 1 0 410.584 0.994 20 0 HCADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627868 1081376439 /nfs/dbraw/zinc/37/64/39/1081376439.db2.gz WBHGESZWLLCUCG-PKOBYXMFSA-N 1 0 410.584 0.994 20 0 HCADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)c1 ZINC000673631091 1081377175 /nfs/dbraw/zinc/37/71/75/1081377175.db2.gz KVZWAASSSDYRLW-UHFFFAOYSA-N 1 0 401.555 0.740 20 0 HCADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000673633530 1081378043 /nfs/dbraw/zinc/37/80/43/1081378043.db2.gz WTXLZDCJFKPIMB-UHFFFAOYSA-N 1 0 400.527 0.954 20 0 HCADRO CS(=O)(=O)NC1(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000673633602 1081377092 /nfs/dbraw/zinc/37/70/92/1081377092.db2.gz APXREBXOOIDVRE-FQEVSTJZSA-N 1 0 409.552 0.992 20 0 HCADRO CS(=O)(=O)NC1(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000673633603 1081377195 /nfs/dbraw/zinc/37/71/95/1081377195.db2.gz APXREBXOOIDVRE-HXUWFJFHSA-N 1 0 409.552 0.992 20 0 HCADRO CS(=O)(=O)NC1(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCCCC1 ZINC000673633745 1081378311 /nfs/dbraw/zinc/37/83/11/1081378311.db2.gz KCEWGRSVXLKRMF-UHFFFAOYSA-N 1 0 423.583 0.962 20 0 HCADRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C[C@H]1C ZINC000677192804 1080456129 /nfs/dbraw/zinc/45/61/29/1080456129.db2.gz ZZYZFVJTHOUSGE-QGZVFWFLSA-N 1 0 424.567 0.980 20 0 HCADRO CC[N@@H+]1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@H]1C ZINC000677195497 1080455968 /nfs/dbraw/zinc/45/59/68/1080455968.db2.gz OCIFONASIMFGMZ-MRXNPFEDSA-N 1 0 410.540 0.672 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC([N@H+](C)CCO)CC2)cc1 ZINC000681542231 1080881228 /nfs/dbraw/zinc/88/12/28/1080881228.db2.gz NAZHKKIULAJXPN-AWEZNQCLSA-N 1 0 411.524 0.471 20 0 HCADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000681791777 1080889643 /nfs/dbraw/zinc/88/96/43/1080889643.db2.gz JGXFJBPAXPUPQA-IBGZPJMESA-N 1 0 412.556 0.593 20 0 HCADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000681791778 1080889794 /nfs/dbraw/zinc/88/97/94/1080889794.db2.gz JGXFJBPAXPUPQA-LJQANCHMSA-N 1 0 412.556 0.593 20 0 HCADRO CN1CC[C@@H](c2nc(-c3cccc(S(=O)(=O)NCCC[NH+](C)C)c3)no2)C1=O ZINC000682159857 1080894049 /nfs/dbraw/zinc/89/40/49/1080894049.db2.gz NGUHLCXZXPGKTL-HNNXBMFYSA-N 1 0 407.496 0.912 20 0 HCADRO CN1CC[C@H](c2nc(-c3cccc(S(=O)(=O)NCCC[NH+](C)C)c3)no2)C1=O ZINC000682159860 1080894094 /nfs/dbraw/zinc/89/40/94/1080894094.db2.gz NGUHLCXZXPGKTL-OAHLLOKOSA-N 1 0 407.496 0.912 20 0 HCADRO COc1cc(CN2CC[N@H+](CCO)C(C)(C)C2)ccc1OCC(=O)N1CCOCC1 ZINC000682165964 1080894087 /nfs/dbraw/zinc/89/40/87/1080894087.db2.gz CHCWGWULFYHMJJ-UHFFFAOYSA-N 1 0 421.538 0.821 20 0 HCADRO O=C(c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1)N1CCS(=O)(=O)CC1 ZINC000682456210 721920627 /nfs/dbraw/zinc/92/06/27/721920627.db2.gz PDUAJGIPXQIONO-KRWDZBQOSA-N 1 0 408.524 0.253 20 0 HCADRO O=C(c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1)N1CCS(=O)(=O)CC1 ZINC000682456213 721920496 /nfs/dbraw/zinc/92/04/96/721920496.db2.gz PDUAJGIPXQIONO-QGZVFWFLSA-N 1 0 408.524 0.253 20 0 HCADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)cc1 ZINC000682456406 1080897587 /nfs/dbraw/zinc/89/75/87/1080897587.db2.gz YZRPBUWGHQLIQH-UHFFFAOYSA-N 1 0 410.478 0.562 20 0 HCADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc(N4CCNC(=O)C4)ccn3)CC2)CC1 ZINC000682532144 1080899020 /nfs/dbraw/zinc/89/90/20/1080899020.db2.gz NPQXAURNZKKWEX-CALCHBBNSA-N 1 0 400.527 0.306 20 0 HCADRO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000682568362 1080912103 /nfs/dbraw/zinc/91/21/03/1080912103.db2.gz BDVRRMRCZQKNJF-QAPCUYQASA-N 1 0 409.508 0.126 20 0 HCADRO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000682568364 1080912406 /nfs/dbraw/zinc/91/24/06/1080912406.db2.gz BDVRRMRCZQKNJF-YJBOKZPZSA-N 1 0 409.508 0.126 20 0 HCADRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 ZINC000682569766 1080912330 /nfs/dbraw/zinc/91/23/30/1080912330.db2.gz PGKMHGXARDVWNK-QAPCUYQASA-N 1 0 413.540 0.619 20 0 HCADRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 ZINC000682569767 1080912211 /nfs/dbraw/zinc/91/22/11/1080912211.db2.gz PGKMHGXARDVWNK-YJBOKZPZSA-N 1 0 413.540 0.619 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000682692246 1080920473 /nfs/dbraw/zinc/92/04/73/1080920473.db2.gz WWAXPHFJNJEPSN-IAGOWNOFSA-N 1 0 411.524 0.929 20 0 HCADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000730227358 1074164941 /nfs/dbraw/zinc/16/49/41/1074164941.db2.gz CQRNQQWUHFITEJ-HNNXBMFYSA-N 1 0 412.531 0.976 20 0 HCADRO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000730227675 1074588872 /nfs/dbraw/zinc/58/88/72/1074588872.db2.gz GUWHMMUMRVFWHP-AWEZNQCLSA-N 1 0 400.520 0.878 20 0 HCADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000730228150 1074648978 /nfs/dbraw/zinc/64/89/78/1074648978.db2.gz PLJRPUZYYCBDDT-JLTOFOAXSA-N 1 0 405.474 0.345 20 0 HCADRO C[NH+]1CCN(CCCCNS(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000733900166 1074345816 /nfs/dbraw/zinc/34/58/16/1074345816.db2.gz KDAFHEBWNHFMRO-UHFFFAOYSA-N 1 0 424.567 0.954 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000749944471 1078016178 /nfs/dbraw/zinc/01/61/78/1078016178.db2.gz AUBZLDJPUULMSO-HNNXBMFYSA-N 1 0 405.451 0.647 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)CC1 ZINC000749991725 1079390388 /nfs/dbraw/zinc/39/03/88/1079390388.db2.gz TYMQYRGMOIUCEP-GOSISDBHSA-N 1 0 407.540 0.203 20 0 HCADRO CN1CC[NH+](CC2CCN(C(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)CC1 ZINC000749991727 1079390599 /nfs/dbraw/zinc/39/05/99/1079390599.db2.gz TYMQYRGMOIUCEP-SFHVURJKSA-N 1 0 407.540 0.203 20 0 HCADRO COCCOC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000750652119 1078364963 /nfs/dbraw/zinc/36/49/63/1078364963.db2.gz YIMPASGTUJOIEN-OAHLLOKOSA-N 1 0 421.498 0.572 20 0 HCADRO COc1ccc(C(=O)NCCN2CC[NH+](C)CC2)nc1I ZINC000761138234 1077334102 /nfs/dbraw/zinc/33/41/02/1077334102.db2.gz PIVWNIOMXZRJHU-UHFFFAOYSA-N 1 0 404.252 0.672 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000761262430 1073416517 /nfs/dbraw/zinc/41/65/17/1073416517.db2.gz XMTBUZPDUIRCBO-UHFFFAOYSA-N 1 0 408.455 0.505 20 0 HCADRO COC(=O)C1CCC2(CC1)NC(=O)N(C1CC[NH+](CCC(=O)N(C)C)CC1)C2=O ZINC000761265127 1073431194 /nfs/dbraw/zinc/43/11/94/1073431194.db2.gz FKWDSDUIAXOVHK-UHFFFAOYSA-N 1 0 408.499 0.583 20 0 HCADRO COc1ccc([C@H]2NC(=O)N(C3CC[NH+](CCC(=O)N(C)C)CC3)C2=O)cc1O ZINC000761265363 1073430928 /nfs/dbraw/zinc/43/09/28/1073430928.db2.gz HNPDDODYKGWWLO-GOSISDBHSA-N 1 0 404.467 0.936 20 0 HCADRO COc1ccc([C@@H]2NC(=O)N(C3CC[NH+](CCC(=O)N(C)C)CC3)C2=O)cc1O ZINC000761265364 1073431140 /nfs/dbraw/zinc/43/11/40/1073431140.db2.gz HNPDDODYKGWWLO-SFHVURJKSA-N 1 0 404.467 0.936 20 0 HCADRO Cc1nccn1-c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cn1 ZINC000761291187 1073505343 /nfs/dbraw/zinc/50/53/43/1073505343.db2.gz ANNJGSUGJKNWIH-UHFFFAOYSA-N 1 0 400.483 0.866 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1 ZINC000761292822 1073507780 /nfs/dbraw/zinc/50/77/80/1073507780.db2.gz FBBNTXXOJIUEQM-UHFFFAOYSA-N 1 0 404.467 0.933 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 ZINC000761293989 1073509463 /nfs/dbraw/zinc/50/94/63/1073509463.db2.gz JRJQVWMWNJUHIX-UHFFFAOYSA-N 1 0 418.494 0.929 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 ZINC000761295737 1073510387 /nfs/dbraw/zinc/51/03/87/1073510387.db2.gz SVRPFIIPQXKLPG-UHFFFAOYSA-N 1 0 404.467 0.933 20 0 HCADRO CON(C)C(=O)c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000761295849 1073509989 /nfs/dbraw/zinc/50/99/89/1073509989.db2.gz UNLMOXDCKKWAQP-UHFFFAOYSA-N 1 0 406.483 0.610 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000761296417 1073510254 /nfs/dbraw/zinc/51/02/54/1073510254.db2.gz XMZURKFVWFOUCO-UHFFFAOYSA-N 1 0 404.511 0.813 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 ZINC000761296424 1073510599 /nfs/dbraw/zinc/51/05/99/1073510599.db2.gz XPOLXUPNFKUXGM-UHFFFAOYSA-N 1 0 418.494 0.929 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccccc2N2CCOC2=O)CC1 ZINC000761297784 1073509964 /nfs/dbraw/zinc/50/99/64/1073509964.db2.gz DQTIHKIMWMAMAQ-UHFFFAOYSA-N 1 0 404.467 0.933 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000761300080 1073511380 /nfs/dbraw/zinc/51/13/80/1073511380.db2.gz JHBNOGSLBXYBGS-UHFFFAOYSA-N 1 0 422.501 0.952 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)CC1 ZINC000761300129 1073511899 /nfs/dbraw/zinc/51/18/99/1073511899.db2.gz JQDRDLHHKSZMCL-UHFFFAOYSA-N 1 0 400.483 0.616 20 0 HCADRO COCC(=O)Nc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000761300269 1073512145 /nfs/dbraw/zinc/51/21/45/1073512145.db2.gz LIEJAGIGBVPDSU-UHFFFAOYSA-N 1 0 406.483 0.562 20 0 HCADRO COC(=O)NCc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000761302248 1073512496 /nfs/dbraw/zinc/51/24/96/1073512496.db2.gz OFXHBFWSMPWJBT-UHFFFAOYSA-N 1 0 406.483 0.833 20 0 HCADRO CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000761312750 1073519393 /nfs/dbraw/zinc/51/93/93/1073519393.db2.gz DTXNIYNLKPMVAN-KRWDZBQOSA-N 1 0 416.526 0.687 20 0 HCADRO CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000761312752 1073519548 /nfs/dbraw/zinc/51/95/48/1073519548.db2.gz DTXNIYNLKPMVAN-QGZVFWFLSA-N 1 0 416.526 0.687 20 0 HCADRO CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000761313183 1073522842 /nfs/dbraw/zinc/52/28/42/1073522842.db2.gz HIVXFGRMXUTBRI-KRWDZBQOSA-N 1 0 416.526 0.687 20 0 HCADRO CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000761313184 1073522942 /nfs/dbraw/zinc/52/29/42/1073522942.db2.gz HIVXFGRMXUTBRI-QGZVFWFLSA-N 1 0 416.526 0.687 20 0 HCADRO COC(=O)c1cccc(OCC(=[NH2+])NOCC(=O)N2CCC3(CC2)OCCO3)c1 ZINC000761314072 1073520762 /nfs/dbraw/zinc/52/07/62/1073520762.db2.gz XHTHXCQLNYFUKT-UHFFFAOYSA-N 1 0 407.423 0.716 20 0 HCADRO CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000761316678 1073524422 /nfs/dbraw/zinc/52/44/22/1073524422.db2.gz KALGHIFFXKYZHZ-HNNXBMFYSA-N 1 0 402.499 0.297 20 0 HCADRO CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000761316679 1073525042 /nfs/dbraw/zinc/52/50/42/1073525042.db2.gz KALGHIFFXKYZHZ-OAHLLOKOSA-N 1 0 402.499 0.297 20 0 HCADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCO1 ZINC000761335422 1073599053 /nfs/dbraw/zinc/59/90/53/1073599053.db2.gz GABLXJKQQDKHSX-ARFHVFGLSA-N 1 0 412.531 0.537 20 0 HCADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCO1 ZINC000761335426 1073598555 /nfs/dbraw/zinc/59/85/55/1073598555.db2.gz GABLXJKQQDKHSX-HRCADAONSA-N 1 0 412.531 0.537 20 0 HCADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCO1 ZINC000761335429 1073598413 /nfs/dbraw/zinc/59/84/13/1073598413.db2.gz GABLXJKQQDKHSX-JYJNAYRXSA-N 1 0 412.531 0.537 20 0 HCADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCO1 ZINC000761335432 1073598694 /nfs/dbraw/zinc/59/86/94/1073598694.db2.gz GABLXJKQQDKHSX-XHSDSOJGSA-N 1 0 412.531 0.537 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC(S(C)(=O)=O)CC3)cc2)CC1 ZINC000761370776 1074006370 /nfs/dbraw/zinc/00/63/70/1074006370.db2.gz HOVWADOQCILZHW-UHFFFAOYSA-N 1 0 422.551 0.803 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC(S(C)(=O)=O)CC3)cc2)CC1 ZINC000761372647 1074033877 /nfs/dbraw/zinc/03/38/77/1074033877.db2.gz RUFHSPZSCXQCHE-UHFFFAOYSA-N 1 0 422.551 0.803 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)CC1 ZINC000761376267 1074203405 /nfs/dbraw/zinc/20/34/05/1074203405.db2.gz NCWXEYWSUNPIKP-UHFFFAOYSA-N 1 0 408.524 0.413 20 0 HCADRO CS(=O)(=O)NCCNC(=S)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000761505258 1077332140 /nfs/dbraw/zinc/33/21/40/1077332140.db2.gz RKIHBBWSCRAXON-INIZCTEOSA-N 1 0 400.570 0.291 20 0 HCADRO CS(=O)(=O)NCCNC(=S)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000761505260 1077332130 /nfs/dbraw/zinc/33/21/30/1077332130.db2.gz RKIHBBWSCRAXON-MRXNPFEDSA-N 1 0 400.570 0.291 20 0 HCADRO CS(=O)(=O)NCCNC(=S)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000761506681 1077331576 /nfs/dbraw/zinc/33/15/76/1077331576.db2.gz ZBOUNOMUJMCTFO-HNNXBMFYSA-N 1 0 402.611 0.617 20 0 HCADRO CS(=O)(=O)NCCNC(=S)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000761506683 1077331468 /nfs/dbraw/zinc/33/14/68/1077331468.db2.gz ZBOUNOMUJMCTFO-OAHLLOKOSA-N 1 0 402.611 0.617 20 0 HCADRO CC(C)NS(=O)(=O)NCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000761507409 1077331497 /nfs/dbraw/zinc/33/14/97/1077331497.db2.gz IXEVCEHWIMRDKX-UHFFFAOYSA-N 1 0 413.613 0.948 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=S)NCc2ccc(S(N)(=O)=O)cc2)CCCO1 ZINC000761554478 1077335668 /nfs/dbraw/zinc/33/56/68/1077335668.db2.gz XDRHLIZIHPBVNO-AWEZNQCLSA-N 1 0 400.570 0.799 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=S)NCc2ccc(S(N)(=O)=O)cc2)CCCO1 ZINC000761554481 1077335583 /nfs/dbraw/zinc/33/55/83/1077335583.db2.gz XDRHLIZIHPBVNO-CQSZACIVSA-N 1 0 400.570 0.799 20 0 HCADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000761573723 1077336303 /nfs/dbraw/zinc/33/63/03/1077336303.db2.gz QETMXQXTPRUILD-UHFFFAOYSA-N 1 0 424.548 0.875 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000761581873 1077337222 /nfs/dbraw/zinc/33/72/22/1077337222.db2.gz VTAIQUKMDXJWIQ-UHFFFAOYSA-N 1 0 412.531 0.930 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000761587002 1077367047 /nfs/dbraw/zinc/36/70/47/1077367047.db2.gz YGZYIFBVNXVFCR-GOSISDBHSA-N 1 0 415.494 0.961 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000761587004 1077367229 /nfs/dbraw/zinc/36/72/29/1077367229.db2.gz YGZYIFBVNXVFCR-SFHVURJKSA-N 1 0 415.494 0.961 20 0 HCADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000761633404 1077563756 /nfs/dbraw/zinc/56/37/56/1077563756.db2.gz YVSNGNMSQGLRJC-UHFFFAOYSA-N 1 0 412.556 0.641 20 0 HCADRO COc1cc(-c2noc(-c3cn(C)c(=O)n(C)c3=O)n2)ccc1OCC[NH+](C)C ZINC000761671296 1077613454 /nfs/dbraw/zinc/61/34/54/1077613454.db2.gz KSNWWVCQOGXZFY-UHFFFAOYSA-N 1 0 401.423 0.750 20 0 HCADRO CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C(=O)C1 ZINC000761702679 1077635711 /nfs/dbraw/zinc/63/57/11/1077635711.db2.gz POIDFMLEIIEMEX-INIZCTEOSA-N 1 0 410.515 0.435 20 0 HCADRO CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C(=O)C1 ZINC000761702688 1077636134 /nfs/dbraw/zinc/63/61/34/1077636134.db2.gz POIDFMLEIIEMEX-MRXNPFEDSA-N 1 0 410.515 0.435 20 0 HCADRO NC(=O)[C@@H]1CC(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)=NN1c1ccc(F)cc1 ZINC000761704174 1077635910 /nfs/dbraw/zinc/63/59/10/1077635910.db2.gz BGHLNQZONIVLFH-AEFFLSMTSA-N 1 0 403.458 0.615 20 0 HCADRO NC(=O)[C@H]1CC(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)=NN1c1ccc(F)cc1 ZINC000761704175 1077637019 /nfs/dbraw/zinc/63/70/19/1077637019.db2.gz BGHLNQZONIVLFH-FUHWJXTLSA-N 1 0 403.458 0.615 20 0 HCADRO NC(=O)[C@H]1CC(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)=NN1c1ccc(F)cc1 ZINC000761704176 1077636626 /nfs/dbraw/zinc/63/66/26/1077636626.db2.gz BGHLNQZONIVLFH-SJLPKXTDSA-N 1 0 403.458 0.615 20 0 HCADRO NC(=O)[C@@H]1CC(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)=NN1c1ccc(F)cc1 ZINC000761704178 1077637082 /nfs/dbraw/zinc/63/70/82/1077637082.db2.gz BGHLNQZONIVLFH-WMZOPIPTSA-N 1 0 403.458 0.615 20 0 HCADRO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000761706395 1077637545 /nfs/dbraw/zinc/63/75/45/1077637545.db2.gz MYCYROWDBSDTAK-DYESRHJHSA-N 1 0 418.469 0.962 20 0 HCADRO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000761706397 1077637689 /nfs/dbraw/zinc/63/76/89/1077637689.db2.gz MYCYROWDBSDTAK-LAUBAEHRSA-N 1 0 418.469 0.962 20 0 HCADRO C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000761706402 1077637812 /nfs/dbraw/zinc/63/78/12/1077637812.db2.gz MYCYROWDBSDTAK-UTKZUKDTSA-N 1 0 418.469 0.962 20 0 HCADRO C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000761706406 1077637873 /nfs/dbraw/zinc/63/78/73/1077637873.db2.gz MYCYROWDBSDTAK-UWJYYQICSA-N 1 0 418.469 0.962 20 0 HCADRO COC(=O)NCCc1nc(-c2cccc(S(=O)(=O)NCCC[NH+](C)C)c2)no1 ZINC000761735883 1077644032 /nfs/dbraw/zinc/64/40/32/1077644032.db2.gz STWBDMPPGXHMQR-UHFFFAOYSA-N 1 0 411.484 0.865 20 0 HCADRO C[NH+](C)CCCNS(=O)(=O)c1cccc(-c2noc(CCN3CCOC3=O)n2)c1 ZINC000761736140 1077643356 /nfs/dbraw/zinc/64/33/56/1077643356.db2.gz UVDRENWDRVQXIT-UHFFFAOYSA-N 1 0 423.495 0.961 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCC2(C1)OCCO2 ZINC000761750958 1077651878 /nfs/dbraw/zinc/65/18/78/1077651878.db2.gz BUSRZQUUQPXIFX-UHFFFAOYSA-N 1 0 411.524 0.814 20 0 HCADRO CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000761751823 1077653697 /nfs/dbraw/zinc/65/36/97/1077653697.db2.gz MCDKAKLFVISLTD-UHFFFAOYSA-N 1 0 419.569 0.390 20 0 HCADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000761752891 1077655342 /nfs/dbraw/zinc/65/53/42/1077655342.db2.gz BBGSYOXSTPWOBG-INIZCTEOSA-N 1 0 419.503 0.977 20 0 HCADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000761752892 1077655484 /nfs/dbraw/zinc/65/54/84/1077655484.db2.gz BBGSYOXSTPWOBG-MRXNPFEDSA-N 1 0 419.503 0.977 20 0 HCADRO O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000761753467 1077653759 /nfs/dbraw/zinc/65/37/59/1077653759.db2.gz JLBLSMJXCLKARR-HTAPYJJXSA-N 1 0 412.490 0.749 20 0 HCADRO O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000761753470 1077653651 /nfs/dbraw/zinc/65/36/51/1077653651.db2.gz JLBLSMJXCLKARR-JTSKRJEESA-N 1 0 412.490 0.749 20 0 HCADRO O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000761753473 1077653790 /nfs/dbraw/zinc/65/37/90/1077653790.db2.gz JLBLSMJXCLKARR-VGOFRKELSA-N 1 0 412.490 0.749 20 0 HCADRO O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000761753476 1077654061 /nfs/dbraw/zinc/65/40/61/1077654061.db2.gz JLBLSMJXCLKARR-VGSWGCGISA-N 1 0 412.490 0.749 20 0 HCADRO COC(=O)NCCc1nc(-c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)no1 ZINC000761776158 1077680917 /nfs/dbraw/zinc/68/09/17/1077680917.db2.gz NABJZFONDCATNX-UHFFFAOYSA-N 1 0 411.484 0.865 20 0 HCADRO C[NH+](C)CCCNS(=O)(=O)c1ccc(-c2noc(CCN3CCOC3=O)n2)cc1 ZINC000761776290 1077680257 /nfs/dbraw/zinc/68/02/57/1077680257.db2.gz QZHJGXLZHMQMFH-UHFFFAOYSA-N 1 0 423.495 0.961 20 0 HCADRO CCC[N@H+](CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)CC(C)(C)O ZINC000761947157 1077782915 /nfs/dbraw/zinc/78/29/15/1077782915.db2.gz IKJKNXYRVIIEAW-FQEVSTJZSA-N 1 0 406.483 0.976 20 0 HCADRO CCC[N@H+](CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)CC(C)(C)O ZINC000761947159 1077782869 /nfs/dbraw/zinc/78/28/69/1077782869.db2.gz IKJKNXYRVIIEAW-HXUWFJFHSA-N 1 0 406.483 0.976 20 0 HCADRO CCC[N@H+](CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)CC(C)(C)O ZINC000761949448 1077783520 /nfs/dbraw/zinc/78/35/20/1077783520.db2.gz WZWJYQGVNGOMFV-FQEVSTJZSA-N 1 0 406.483 0.976 20 0 HCADRO CCC[N@H+](CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)CC(C)(C)O ZINC000761949453 1077783333 /nfs/dbraw/zinc/78/33/33/1077783333.db2.gz WZWJYQGVNGOMFV-HXUWFJFHSA-N 1 0 406.483 0.976 20 0 HCADRO CN1CCN(c2ncc(C[NH2+]CCNS(=O)(=O)Cc3ccccc3)cn2)CC1 ZINC000761960295 1077785298 /nfs/dbraw/zinc/78/52/98/1077785298.db2.gz RSLPORBPMDRCPD-UHFFFAOYSA-N 1 0 404.540 0.438 20 0 HCADRO COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000761964028 1077785329 /nfs/dbraw/zinc/78/53/29/1077785329.db2.gz NWCKWRLEFVNWLE-AEFFLSMTSA-N 1 0 413.478 0.858 20 0 HCADRO COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000761964034 1077785271 /nfs/dbraw/zinc/78/52/71/1077785271.db2.gz NWCKWRLEFVNWLE-FUHWJXTLSA-N 1 0 413.478 0.858 20 0 HCADRO COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000761964038 1077785397 /nfs/dbraw/zinc/78/53/97/1077785397.db2.gz NWCKWRLEFVNWLE-SJLPKXTDSA-N 1 0 413.478 0.858 20 0 HCADRO COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000761964043 1077785248 /nfs/dbraw/zinc/78/52/48/1077785248.db2.gz NWCKWRLEFVNWLE-WMZOPIPTSA-N 1 0 413.478 0.858 20 0 HCADRO CN1CCN(c2ncc(C[NH2+]CC3CCN(S(=O)(=O)C(F)F)CC3)cn2)CC1 ZINC000761970920 1077788822 /nfs/dbraw/zinc/78/88/22/1077788822.db2.gz UMEJMNPZSFNBPE-UHFFFAOYSA-N 1 0 418.514 0.582 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000761990489 1077800230 /nfs/dbraw/zinc/80/02/30/1077800230.db2.gz GJQGCQMXIOXRFU-AWEZNQCLSA-N 1 0 408.503 0.899 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000761998044 1077803128 /nfs/dbraw/zinc/80/31/28/1077803128.db2.gz RPSPQPZCKOOUHF-GOSISDBHSA-N 1 0 415.494 0.961 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000761998045 1077803106 /nfs/dbraw/zinc/80/31/06/1077803106.db2.gz RPSPQPZCKOOUHF-SFHVURJKSA-N 1 0 415.494 0.961 20 0 HCADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000762006773 1077802709 /nfs/dbraw/zinc/80/27/09/1077802709.db2.gz PHNDDJKLVBJVPV-KRWDZBQOSA-N 1 0 412.494 0.691 20 0 HCADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000762006781 1077802719 /nfs/dbraw/zinc/80/27/19/1077802719.db2.gz PHNDDJKLVBJVPV-QGZVFWFLSA-N 1 0 412.494 0.691 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cn1 ZINC000762009905 1077804419 /nfs/dbraw/zinc/80/44/19/1077804419.db2.gz ZWHHDUGUIBUQFI-GOSISDBHSA-N 1 0 412.494 0.691 20 0 HCADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cn1 ZINC000762009910 1077804375 /nfs/dbraw/zinc/80/43/75/1077804375.db2.gz ZWHHDUGUIBUQFI-SFHVURJKSA-N 1 0 412.494 0.691 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCN(Cn2nc(CO)n(-c3ccccc3)c2=S)CC1 ZINC000762019863 1077806062 /nfs/dbraw/zinc/80/60/62/1077806062.db2.gz DWRZIGLPBHTISM-UHFFFAOYSA-N 1 0 404.540 0.949 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCCNc1ncccn1 ZINC000762055808 1077809205 /nfs/dbraw/zinc/80/92/05/1077809205.db2.gz GVGONGSVMJLDJT-UHFFFAOYSA-N 1 0 420.539 0.857 20 0 HCADRO CCN(CC)C(=O)CNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000762062550 1077811718 /nfs/dbraw/zinc/81/17/18/1077811718.db2.gz TZRHNPJPMZCIJH-UHFFFAOYSA-N 1 0 412.556 0.823 20 0 HCADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(c3nc(F)c(F)cc3F)CC1)C2=O ZINC000762097296 1077814717 /nfs/dbraw/zinc/81/47/17/1077814717.db2.gz DHRSGTOWPKCTIW-UHFFFAOYSA-N 1 0 412.416 0.595 20 0 HCADRO Cn1cc(/C=C\C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(=O)n(C)c1=O ZINC000762109532 1077815377 /nfs/dbraw/zinc/81/53/77/1077815377.db2.gz DLPNXEMTVPFFDI-FAPWYTRCSA-N 1 0 412.490 0.096 20 0 HCADRO Cn1cc(/C=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(=O)n(C)c1=O ZINC000762109534 1077815437 /nfs/dbraw/zinc/81/54/37/1077815437.db2.gz DLPNXEMTVPFFDI-TYFAACHXSA-N 1 0 412.490 0.096 20 0 HCADRO Cn1cc(/C=C\C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(=O)n(C)c1=O ZINC000762109536 1077815400 /nfs/dbraw/zinc/81/54/00/1077815400.db2.gz DLPNXEMTVPFFDI-VXOKQSJXSA-N 1 0 412.490 0.096 20 0 HCADRO Cn1cc(/C=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(=O)n(C)c1=O ZINC000762109538 1077815386 /nfs/dbraw/zinc/81/53/86/1077815386.db2.gz DLPNXEMTVPFFDI-WARJXXDVSA-N 1 0 412.490 0.096 20 0 HCADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000762113884 1077815671 /nfs/dbraw/zinc/81/56/71/1077815671.db2.gz RPXJYOVWFMEUBV-KSZLIROESA-N 1 0 412.577 0.906 20 0 HCADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000762113886 1077815910 /nfs/dbraw/zinc/81/59/10/1077815910.db2.gz RPXJYOVWFMEUBV-KURKYZTESA-N 1 0 412.577 0.906 20 0 HCADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000762113889 1077815811 /nfs/dbraw/zinc/81/58/11/1077815811.db2.gz RPXJYOVWFMEUBV-KZNAEPCWSA-N 1 0 412.577 0.906 20 0 HCADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000762113891 1077815877 /nfs/dbraw/zinc/81/58/77/1077815877.db2.gz RPXJYOVWFMEUBV-RCCFBDPRSA-N 1 0 412.577 0.906 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CC(n2cncn2)C1 ZINC000762186081 1077824102 /nfs/dbraw/zinc/82/41/02/1077824102.db2.gz DPPFNUAHBGBXJC-UHFFFAOYSA-N 1 0 406.512 0.514 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N(C)[C@@H]1CCCCNC1=O ZINC000762190633 1077824704 /nfs/dbraw/zinc/82/47/04/1077824704.db2.gz RGNQVDOZPXAXRV-GOSISDBHSA-N 1 0 424.567 0.966 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N(C)[C@H]1CCCCNC1=O ZINC000762190721 1077824782 /nfs/dbraw/zinc/82/47/82/1077824782.db2.gz RGNQVDOZPXAXRV-SFHVURJKSA-N 1 0 424.567 0.966 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N(C)CCS(C)(=O)=O ZINC000762193541 1077825367 /nfs/dbraw/zinc/82/53/67/1077825367.db2.gz NWWPRKANCINTBE-UHFFFAOYSA-N 1 0 419.569 0.342 20 0 HCADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=[NH2+])NOCc1nnnn1CC(F)(F)F ZINC000762210927 1077829595 /nfs/dbraw/zinc/82/95/95/1077829595.db2.gz CVZRQMFOCXDQRE-SECBINFHSA-N 1 0 409.369 0.870 20 0 HCADRO CC(C)(C)OC(=O)N1CCOC[C@H]1C(=[NH2+])NOCc1nnnn1CC(F)(F)F ZINC000762210985 1077828641 /nfs/dbraw/zinc/82/86/41/1077828641.db2.gz CVZRQMFOCXDQRE-VIFPVBQESA-N 1 0 409.369 0.870 20 0 HCADRO CC[S@@](=O)CCNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000762212400 1077828983 /nfs/dbraw/zinc/82/89/83/1077828983.db2.gz DWLJRBOQQVCMMR-RUZDIDTESA-N 1 0 403.570 0.723 20 0 HCADRO CC[S@](=O)CCNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000762212401 1077829027 /nfs/dbraw/zinc/82/90/27/1077829027.db2.gz DWLJRBOQQVCMMR-VWLOTQADSA-N 1 0 403.570 0.723 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC1(C(N)=O)CCCC1 ZINC000762217516 1077830459 /nfs/dbraw/zinc/83/04/59/1077830459.db2.gz BTIIMLBKEDHBPG-UHFFFAOYSA-N 1 0 410.540 0.753 20 0 HCADRO COC(=O)Cn1cc(CN2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)nn1 ZINC000762230233 1077831725 /nfs/dbraw/zinc/83/17/25/1077831725.db2.gz IPKLGBZOCMRSCN-UHFFFAOYSA-N 1 0 412.450 0.538 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)CC1 ZINC000762246702 1077833980 /nfs/dbraw/zinc/83/39/80/1077833980.db2.gz IYTARVJMTMGCFL-IBGZPJMESA-N 1 0 421.567 0.734 20 0 HCADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)CC1 ZINC000762246704 1077833936 /nfs/dbraw/zinc/83/39/36/1077833936.db2.gz IYTARVJMTMGCFL-LJQANCHMSA-N 1 0 421.567 0.734 20 0 HCADRO CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000762269997 1077835104 /nfs/dbraw/zinc/83/51/04/1077835104.db2.gz BJCXPFQNCUHRSC-GOSISDBHSA-N 1 0 410.540 0.564 20 0 HCADRO CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000762269998 1077835049 /nfs/dbraw/zinc/83/50/49/1077835049.db2.gz BJCXPFQNCUHRSC-SFHVURJKSA-N 1 0 410.540 0.564 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000762273339 1077834650 /nfs/dbraw/zinc/83/46/50/1077834650.db2.gz FMOXCDMULYYGQN-UHFFFAOYSA-N 1 0 410.540 0.722 20 0 HCADRO COC(=O)CC[C@H]1NC(=O)N(C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)C1=O ZINC000762282073 1077835754 /nfs/dbraw/zinc/83/57/54/1077835754.db2.gz DKRYAFQEASWFOO-GVDBMIGSSA-N 1 0 414.462 0.459 20 0 HCADRO O=C(c1ccccc1)N1C[C@H](CN2C(=O)[C@H]3CSCCN3C2=O)[N@@H+]2CC[C@H]1C2 ZINC000762284821 1077836170 /nfs/dbraw/zinc/83/61/70/1077836170.db2.gz WLGRETQWYMWFEH-GVDBMIGSSA-N 1 0 400.504 0.965 20 0 HCADRO O=C(CN1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1)N1CCOCC1 ZINC000762318667 1077840380 /nfs/dbraw/zinc/84/03/80/1077840380.db2.gz IWXQKZWNOMIIRN-UHFFFAOYSA-N 1 0 421.586 0.970 20 0 HCADRO Cn1c2[nH]c(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C3CC3)nc2c(=O)n(C)c1=O ZINC000762382379 1077845367 /nfs/dbraw/zinc/84/53/67/1077845367.db2.gz GJRMNCYJIWZMCI-IBGZPJMESA-N 1 0 406.487 0.743 20 0 HCADRO Cn1c2[nH]c(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C3CC3)nc2c(=O)n(C)c1=O ZINC000762382381 1077845352 /nfs/dbraw/zinc/84/53/52/1077845352.db2.gz GJRMNCYJIWZMCI-LJQANCHMSA-N 1 0 406.487 0.743 20 0 HCADRO O=C(COC(=O)c1ccc(C[NH+]2CCCC2)cc1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000762409013 1077847858 /nfs/dbraw/zinc/84/78/58/1077847858.db2.gz MIPMKSGCJAMPFJ-INIZCTEOSA-N 1 0 423.491 0.452 20 0 HCADRO O=C(COC(=O)c1ccc(C[NH+]2CCCC2)cc1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000762409040 1077848011 /nfs/dbraw/zinc/84/80/11/1077848011.db2.gz MIPMKSGCJAMPFJ-MRXNPFEDSA-N 1 0 423.491 0.452 20 0 HCADRO COc1ncc(NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)cc1C(N)=O ZINC000762417438 1077848803 /nfs/dbraw/zinc/84/88/03/1077848803.db2.gz QOBOESHHJQLKCJ-UHFFFAOYSA-N 1 0 413.478 0.761 20 0 HCADRO CCCn1cc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000762441379 1077851237 /nfs/dbraw/zinc/85/12/37/1077851237.db2.gz VVENJIYRTLFOMA-UHFFFAOYSA-N 1 0 414.514 0.740 20 0 HCADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000762458547 1077852087 /nfs/dbraw/zinc/85/20/87/1077852087.db2.gz DHNPXXYWRNAIJD-ARFHVFGLSA-N 1 0 420.514 0.058 20 0 HCADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000762458550 1077852057 /nfs/dbraw/zinc/85/20/57/1077852057.db2.gz DHNPXXYWRNAIJD-BZUAXINKSA-N 1 0 420.514 0.058 20 0 HCADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000762458555 1077852022 /nfs/dbraw/zinc/85/20/22/1077852022.db2.gz DHNPXXYWRNAIJD-HRCADAONSA-N 1 0 420.514 0.058 20 0 HCADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000762458559 1077852080 /nfs/dbraw/zinc/85/20/80/1077852080.db2.gz DHNPXXYWRNAIJD-OAGGEKHMSA-N 1 0 420.514 0.058 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=S)NCc2ccc(S(N)(=O)=O)cc2)ccn1 ZINC000762460817 1077852285 /nfs/dbraw/zinc/85/22/85/1077852285.db2.gz JWXUBNTUQSSNBN-UHFFFAOYSA-N 1 0 423.564 0.834 20 0 HCADRO CCCn1cc(NC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cn1 ZINC000762461175 1077852261 /nfs/dbraw/zinc/85/22/61/1077852261.db2.gz WEZSJJDIXHOFDT-UHFFFAOYSA-N 1 0 400.483 0.839 20 0 HCADRO CCCn1cc(NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cn1 ZINC000762465995 1077853606 /nfs/dbraw/zinc/85/36/06/1077853606.db2.gz UYFULWNOXPXAHB-UHFFFAOYSA-N 1 0 406.531 0.975 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCCS(=O)(=O)CC3)cc2)CC1 ZINC000762494042 1077854704 /nfs/dbraw/zinc/85/47/04/1077854704.db2.gz MGXRTKPKQPMKLA-UHFFFAOYSA-N 1 0 408.524 0.414 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1=O ZINC000762495445 1077854889 /nfs/dbraw/zinc/85/48/89/1077854889.db2.gz SIVSKMBJUPTDJM-DZGCQCFKSA-N 1 0 411.886 0.671 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1=O ZINC000762495446 1077854868 /nfs/dbraw/zinc/85/48/68/1077854868.db2.gz SIVSKMBJUPTDJM-HIFRSBDPSA-N 1 0 411.886 0.671 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1=O ZINC000762495447 1077854911 /nfs/dbraw/zinc/85/49/11/1077854911.db2.gz SIVSKMBJUPTDJM-UKRRQHHQSA-N 1 0 411.886 0.671 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1=O ZINC000762495448 1077854893 /nfs/dbraw/zinc/85/48/93/1077854893.db2.gz SIVSKMBJUPTDJM-ZFWWWQNUSA-N 1 0 411.886 0.671 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000762528435 1077858914 /nfs/dbraw/zinc/85/89/14/1077858914.db2.gz PHRPVIPAJSKBEP-GOSISDBHSA-N 1 0 423.539 0.422 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC[C@H](O)c1cnn(C)c1 ZINC000762528437 1077859074 /nfs/dbraw/zinc/85/90/74/1077859074.db2.gz PHRPVIPAJSKBEP-SFHVURJKSA-N 1 0 423.539 0.422 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cccc(-n3cccc3)c2)cn1 ZINC000762534755 1077859981 /nfs/dbraw/zinc/85/99/81/1077859981.db2.gz ALPBIXAYSBIZLT-UHFFFAOYSA-N 1 0 423.477 0.929 20 0 HCADRO CC(C)Cc1cc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)n(C)n1 ZINC000762534784 1077859999 /nfs/dbraw/zinc/85/99/99/1077859999.db2.gz BJGSVHHCJJTWHN-UHFFFAOYSA-N 1 0 418.502 0.070 20 0 HCADRO Cc1cc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)ccc1N(C)C ZINC000762535604 1077860330 /nfs/dbraw/zinc/86/03/30/1077860330.db2.gz HJOFXPMMRDWFCR-UHFFFAOYSA-N 1 0 415.498 0.513 20 0 HCADRO CN(C)c1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000762536274 1077860016 /nfs/dbraw/zinc/86/00/16/1077860016.db2.gz KRGVXSFQCWFNNA-UHFFFAOYSA-N 1 0 401.471 0.204 20 0 HCADRO Cc1cc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cnc1Cl ZINC000762536323 1077859973 /nfs/dbraw/zinc/85/99/73/1077859973.db2.gz LWJWSXOXMBUQLQ-UHFFFAOYSA-N 1 0 407.862 0.495 20 0 HCADRO C[C@@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000762544856 1077860037 /nfs/dbraw/zinc/86/00/37/1077860037.db2.gz FOQAYNGEKWILQL-HNNXBMFYSA-N 1 0 410.540 0.706 20 0 HCADRO C[C@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000762544860 1077860019 /nfs/dbraw/zinc/86/00/19/1077860019.db2.gz FOQAYNGEKWILQL-OAHLLOKOSA-N 1 0 410.540 0.706 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(CCO)CCOC3)cc2)CC1 ZINC000762545678 1077860528 /nfs/dbraw/zinc/86/05/28/1077860528.db2.gz GZUJQUDMBPCYKE-NRFANRHFSA-N 1 0 404.511 0.672 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(CCO)CCOC3)cc2)CC1 ZINC000762545680 1077860465 /nfs/dbraw/zinc/86/04/65/1077860465.db2.gz GZUJQUDMBPCYKE-OAQYLSRUSA-N 1 0 404.511 0.672 20 0 HCADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000762545951 1077861266 /nfs/dbraw/zinc/86/12/66/1077861266.db2.gz NLOFMKYPRGPJAN-KRWDZBQOSA-N 1 0 401.511 0.894 20 0 HCADRO 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JDGFWUZFVSJSGA-OAHLLOKOSA-N 1 0 421.313 0.971 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000762554623 1077862600 /nfs/dbraw/zinc/86/26/00/1077862600.db2.gz KVHMMNIFBSNNRA-IBGZPJMESA-N 1 0 411.524 0.774 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000762554624 1077862612 /nfs/dbraw/zinc/86/26/12/1077862612.db2.gz KVHMMNIFBSNNRA-LJQANCHMSA-N 1 0 411.524 0.774 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)C1 ZINC000762556796 1077862852 /nfs/dbraw/zinc/86/28/52/1077862852.db2.gz VWOUKSHCNNTYAN-HKUYNNGSSA-N 1 0 411.524 0.774 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)C1 ZINC000762556797 1077862921 /nfs/dbraw/zinc/86/29/21/1077862921.db2.gz VWOUKSHCNNTYAN-IEBWSBKVSA-N 1 0 411.524 0.774 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)C1 ZINC000762556798 1077862811 /nfs/dbraw/zinc/86/28/11/1077862811.db2.gz VWOUKSHCNNTYAN-MJGOQNOKSA-N 1 0 411.524 0.774 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)C1 ZINC000762556799 1077862890 /nfs/dbraw/zinc/86/28/90/1077862890.db2.gz VWOUKSHCNNTYAN-PKOBYXMFSA-N 1 0 411.524 0.774 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1Br ZINC000762556821 1077862845 /nfs/dbraw/zinc/86/28/45/1077862845.db2.gz WTXZLYAOFZVWOA-AWEZNQCLSA-N 1 0 407.286 0.581 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1Br ZINC000762556822 1077862795 /nfs/dbraw/zinc/86/27/95/1077862795.db2.gz WTXZLYAOFZVWOA-CQSZACIVSA-N 1 0 407.286 0.581 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000762556832 1077862834 /nfs/dbraw/zinc/86/28/34/1077862834.db2.gz XQGMXQASRJXSBU-HKUYNNGSSA-N 1 0 411.524 0.774 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000762556833 1077862939 /nfs/dbraw/zinc/86/29/39/1077862939.db2.gz XQGMXQASRJXSBU-IEBWSBKVSA-N 1 0 411.524 0.774 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000762556834 1077862909 /nfs/dbraw/zinc/86/29/09/1077862909.db2.gz XQGMXQASRJXSBU-MJGOQNOKSA-N 1 0 411.524 0.774 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000762556835 1077863054 /nfs/dbraw/zinc/86/30/54/1077863054.db2.gz XQGMXQASRJXSBU-PKOBYXMFSA-N 1 0 411.524 0.774 20 0 HCADRO COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000762556898 1077862933 /nfs/dbraw/zinc/86/29/33/1077862933.db2.gz ZJEXLWSDGYMCLI-DUMMIQTOSA-N 1 0 414.480 0.235 20 0 HCADRO COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000762556900 1077862875 /nfs/dbraw/zinc/86/28/75/1077862875.db2.gz ZJEXLWSDGYMCLI-OOFWQKGWSA-N 1 0 414.480 0.235 20 0 HCADRO COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000762556903 1077862824 /nfs/dbraw/zinc/86/28/24/1077862824.db2.gz ZJEXLWSDGYMCLI-QWNKOJSDSA-N 1 0 414.480 0.235 20 0 HCADRO 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ZINC000762621566 1077871128 /nfs/dbraw/zinc/87/11/28/1077871128.db2.gz LYGBSTUSUUTVGL-OAHLLOKOSA-N 1 0 408.524 0.684 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CCCO1 ZINC000762622443 1077871503 /nfs/dbraw/zinc/87/15/03/1077871503.db2.gz PMAPJGQLCLJORN-KBXCAEBGSA-N 1 0 405.474 0.863 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CCCO1 ZINC000762622444 1077871499 /nfs/dbraw/zinc/87/14/99/1077871499.db2.gz PMAPJGQLCLJORN-KDOFPFPSSA-N 1 0 405.474 0.863 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CCCO1 ZINC000762622446 1077871444 /nfs/dbraw/zinc/87/14/44/1077871444.db2.gz PMAPJGQLCLJORN-KSSFIOAISA-N 1 0 405.474 0.863 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CCCO1 ZINC000762622448 1077871454 /nfs/dbraw/zinc/87/14/54/1077871454.db2.gz PMAPJGQLCLJORN-RDTXWAMCSA-N 1 0 405.474 0.863 20 0 HCADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000762623438 1077871470 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NVKOZQDRTOTXLU-NSHDSACASA-N 1 0 406.468 0.891 20 0 HCADRO CCn1c(=O)c2ccccc2n(CC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1=O ZINC000762640649 1077873571 /nfs/dbraw/zinc/87/35/71/1077873571.db2.gz GMUIKSUSACKVPZ-INIZCTEOSA-N 1 0 402.495 0.800 20 0 HCADRO CCn1c(=O)c2ccccc2n(CC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1=O ZINC000762640650 1077873585 /nfs/dbraw/zinc/87/35/85/1077873585.db2.gz GMUIKSUSACKVPZ-MRXNPFEDSA-N 1 0 402.495 0.800 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CCCO1 ZINC000762643730 1077874178 /nfs/dbraw/zinc/87/41/78/1077874178.db2.gz RBWBHYJESCBRCU-AOMKIAJQSA-N 1 0 414.506 0.997 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCCO1 ZINC000762643732 1077874212 /nfs/dbraw/zinc/87/42/12/1077874212.db2.gz RBWBHYJESCBRCU-KSFYIVLOSA-N 1 0 414.506 0.997 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCCO1 ZINC000762643734 1077874154 /nfs/dbraw/zinc/87/41/54/1077874154.db2.gz RBWBHYJESCBRCU-OPAMFIHVSA-N 1 0 414.506 0.997 20 0 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C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)C1 ZINC000762719159 1077891302 /nfs/dbraw/zinc/89/13/02/1077891302.db2.gz PTIIGLCBRWPMHJ-LJQANCHMSA-N 1 0 408.503 0.647 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc3ncc(I)n3c2)C1 ZINC000762720465 1077891363 /nfs/dbraw/zinc/89/13/63/1077891363.db2.gz XHERDKXEUBHJRI-AWEZNQCLSA-N 1 0 400.220 0.735 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc3ncc(I)n3c2)C1 ZINC000762720466 1077891334 /nfs/dbraw/zinc/89/13/34/1077891334.db2.gz XHERDKXEUBHJRI-CQSZACIVSA-N 1 0 400.220 0.735 20 0 HCADRO Cc1c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000762721023 1077891719 /nfs/dbraw/zinc/89/17/19/1077891719.db2.gz GMXKYVHPCJOMLH-FQEVSTJZSA-N 1 0 422.530 0.955 20 0 HCADRO Cc1c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000762721024 1077891688 /nfs/dbraw/zinc/89/16/88/1077891688.db2.gz GMXKYVHPCJOMLH-HXUWFJFHSA-N 1 0 422.530 0.955 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 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/nfs/dbraw/zinc/88/91/26/1077889126.db2.gz HGYPSRAJISDLJN-LJQANCHMSA-N 1 0 410.540 0.601 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000762722394 1077891746 /nfs/dbraw/zinc/89/17/46/1077891746.db2.gz PVYNZEYXBYZNOE-KRWDZBQOSA-N 1 0 401.916 0.921 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000762722396 1077891662 /nfs/dbraw/zinc/89/16/62/1077891662.db2.gz PVYNZEYXBYZNOE-QGZVFWFLSA-N 1 0 401.916 0.921 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1Br ZINC000762722512 1077891740 /nfs/dbraw/zinc/89/17/40/1077891740.db2.gz RFEAIXMARRLCJB-HNNXBMFYSA-N 1 0 420.329 0.496 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1Br ZINC000762722516 1077891732 /nfs/dbraw/zinc/89/17/32/1077891732.db2.gz RFEAIXMARRLCJB-OAHLLOKOSA-N 1 0 420.329 0.496 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)C1 ZINC000762722935 1077889223 /nfs/dbraw/zinc/88/92/23/1077889223.db2.gz RQGLXTPOJVJWAB-GOSISDBHSA-N 1 0 407.858 0.619 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)C1 ZINC000762722936 1077889141 /nfs/dbraw/zinc/88/91/41/1077889141.db2.gz RQGLXTPOJVJWAB-SFHVURJKSA-N 1 0 407.858 0.619 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)ccn1 ZINC000762725321 1077889692 /nfs/dbraw/zinc/88/96/92/1077889692.db2.gz LAHXOLNQFAYLLJ-GOSISDBHSA-N 1 0 410.478 0.758 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)ccn1 ZINC000762725325 1077889722 /nfs/dbraw/zinc/88/97/22/1077889722.db2.gz LAHXOLNQFAYLLJ-SFHVURJKSA-N 1 0 410.478 0.758 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000762725832 1077890005 /nfs/dbraw/zinc/89/00/05/1077890005.db2.gz ZFAFHVVPRRPBGC-IBGZPJMESA-N 1 0 406.508 0.030 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000762725837 1077889925 /nfs/dbraw/zinc/88/99/25/1077889925.db2.gz ZFAFHVVPRRPBGC-LJQANCHMSA-N 1 0 406.508 0.030 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)ccn1 ZINC000762727207 1077890565 /nfs/dbraw/zinc/89/05/65/1077890565.db2.gz VRJIGZVUIOXINQ-UHFFFAOYSA-N 1 0 405.480 0.136 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)ccn1 ZINC000762727901 1077891656 /nfs/dbraw/zinc/89/16/56/1077891656.db2.gz CLOLMTSYABVYJN-UHFFFAOYSA-N 1 0 405.480 0.136 20 0 HCADRO C[C@H](NC(=O)CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1)C(=O)N(C)C ZINC000762736915 1077892955 /nfs/dbraw/zinc/89/29/55/1077892955.db2.gz BAAMPHPOUPPMQU-AWEZNQCLSA-N 1 0 405.499 0.083 20 0 HCADRO C[C@@H](NC(=O)CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1)C(=O)N(C)C ZINC000762736923 1077892997 /nfs/dbraw/zinc/89/29/97/1077892997.db2.gz BAAMPHPOUPPMQU-CQSZACIVSA-N 1 0 405.499 0.083 20 0 HCADRO CC(C)N(CCCNC(=O)CON=C(N)C[NH+]1CCCCCC1)S(C)(=O)=O ZINC000762739501 1077892946 /nfs/dbraw/zinc/89/29/46/1077892946.db2.gz DOIKKIMYWWJAQC-UHFFFAOYSA-N 1 0 405.565 0.537 20 0 HCADRO C[C@H](NC(=O)CON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N(C)C ZINC000762741298 1077893358 /nfs/dbraw/zinc/89/33/58/1077893358.db2.gz NZZGOTNZPFDERG-KRWDZBQOSA-N 1 0 418.542 0.286 20 0 HCADRO C[C@@H](NC(=O)CON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N(C)C ZINC000762741333 1077893326 /nfs/dbraw/zinc/89/33/26/1077893326.db2.gz NZZGOTNZPFDERG-QGZVFWFLSA-N 1 0 418.542 0.286 20 0 HCADRO CC(C)N(CCCNC(=O)CON=C(N)C[N@@H+]1CCCC[C@@H]1C)S(C)(=O)=O ZINC000762742605 1077893676 /nfs/dbraw/zinc/89/36/76/1077893676.db2.gz YAFPRANDSPQPAY-HNNXBMFYSA-N 1 0 405.565 0.536 20 0 HCADRO CC(C)N(CCCNC(=O)CON=C(N)C[N@@H+]1CCCC[C@H]1C)S(C)(=O)=O ZINC000762742606 1077893710 /nfs/dbraw/zinc/89/37/10/1077893710.db2.gz YAFPRANDSPQPAY-OAHLLOKOSA-N 1 0 405.565 0.536 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)ccc1F ZINC000762743033 1077893733 /nfs/dbraw/zinc/89/37/33/1077893733.db2.gz XSOOHCLGRNNRGC-UHFFFAOYSA-N 1 0 410.471 0.999 20 0 HCADRO COC(=O)c1cccc(OCC(=[NH2+])NOCC(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000762769006 1077896403 /nfs/dbraw/zinc/89/64/03/1077896403.db2.gz NIQRXCGLKJWBEH-HNNXBMFYSA-N 1 0 406.439 0.478 20 0 HCADRO COC(=O)c1cccc(OCC(=[NH2+])NOCC(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000762769009 1077896328 /nfs/dbraw/zinc/89/63/28/1077896328.db2.gz NIQRXCGLKJWBEH-OAHLLOKOSA-N 1 0 406.439 0.478 20 0 HCADRO COC(=O)c1cccc(OCC(=[NH2+])NOCC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000762771000 1077897534 /nfs/dbraw/zinc/89/75/34/1077897534.db2.gz VPQBYYCFBUCUMJ-AWEZNQCLSA-N 1 0 420.466 0.868 20 0 HCADRO COC(=O)c1cccc(OCC(=[NH2+])NOCC(=O)N[C@H](C)C(=O)N2CCCCC2)c1 ZINC000762771007 1077897548 /nfs/dbraw/zinc/89/75/48/1077897548.db2.gz VPQBYYCFBUCUMJ-CQSZACIVSA-N 1 0 420.466 0.868 20 0 HCADRO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786017 1077897198 /nfs/dbraw/zinc/89/71/98/1077897198.db2.gz JRKQBRBVOLQXHD-BBRMVZONSA-N 1 0 405.542 0.129 20 0 HCADRO C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786021 1077897261 /nfs/dbraw/zinc/89/72/61/1077897261.db2.gz JRKQBRBVOLQXHD-CJNGLKHVSA-N 1 0 405.542 0.129 20 0 HCADRO C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786024 1077897286 /nfs/dbraw/zinc/89/72/86/1077897286.db2.gz JRKQBRBVOLQXHD-CZUORRHYSA-N 1 0 405.542 0.129 20 0 HCADRO C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786027 1077897300 /nfs/dbraw/zinc/89/73/00/1077897300.db2.gz JRKQBRBVOLQXHD-XJKSGUPXSA-N 1 0 405.542 0.129 20 0 HCADRO Cn1nccc1CCNc1nc(N2CCOCC2)nc(NCCc2ccnn2C)[nH+]1 ZINC000762799738 1077898342 /nfs/dbraw/zinc/89/83/42/1077898342.db2.gz PVOJIPRFGMZHRT-UHFFFAOYSA-N 1 0 412.502 0.484 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000762818498 1077898512 /nfs/dbraw/zinc/89/85/12/1077898512.db2.gz SMVNOHOENWCWSI-FCHUYYIVSA-N 1 0 410.474 0.790 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000762818501 1077898523 /nfs/dbraw/zinc/89/85/23/1077898523.db2.gz SMVNOHOENWCWSI-FGZHOGPDSA-N 1 0 410.474 0.790 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000762818504 1077898611 /nfs/dbraw/zinc/89/86/11/1077898611.db2.gz SMVNOHOENWCWSI-VXKWHMMOSA-N 1 0 410.474 0.790 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000762818505 1077898532 /nfs/dbraw/zinc/89/85/32/1077898532.db2.gz SMVNOHOENWCWSI-YADHBBJMSA-N 1 0 410.474 0.790 20 0 HCADRO COC(=O)CN1CCN(c2ccc(NC(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc2)CC1 ZINC000762844757 1077900000 /nfs/dbraw/zinc/90/00/00/1077900000.db2.gz SCYSTFBCCDFPRQ-FQEVSTJZSA-N 1 0 405.499 0.170 20 0 HCADRO COC(=O)CN1CCN(c2ccc(NC(=O)NC[C@]3(O)CC[N@H+](C)C3)cc2)CC1 ZINC000762844760 1077900441 /nfs/dbraw/zinc/90/04/41/1077900441.db2.gz SCYSTFBCCDFPRQ-HXUWFJFHSA-N 1 0 405.499 0.170 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000762846869 1077900529 /nfs/dbraw/zinc/90/05/29/1077900529.db2.gz WIXVTUHAEYIRMN-AWEZNQCLSA-N 1 0 410.418 0.715 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000762846871 1077900455 /nfs/dbraw/zinc/90/04/55/1077900455.db2.gz WIXVTUHAEYIRMN-CQSZACIVSA-N 1 0 410.418 0.715 20 0 HCADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)C1 ZINC000762857708 1077901599 /nfs/dbraw/zinc/90/15/99/1077901599.db2.gz BDVPLFPCIYNZRY-INIZCTEOSA-N 1 0 405.904 0.952 20 0 HCADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)C1 ZINC000762857709 1077901649 /nfs/dbraw/zinc/90/16/49/1077901649.db2.gz BDVPLFPCIYNZRY-MRXNPFEDSA-N 1 0 405.904 0.952 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)ccn1 ZINC000762963193 1077967879 /nfs/dbraw/zinc/96/78/79/1077967879.db2.gz XKKKJTNFDWXGAD-UHFFFAOYSA-N 1 0 410.500 0.585 20 0 HCADRO C[NH+](C)C1(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CCC1 ZINC000762963272 1077969929 /nfs/dbraw/zinc/96/99/29/1077969929.db2.gz CHOSHUKYJUBMEF-UHFFFAOYSA-N 1 0 408.524 0.995 20 0 HCADRO C[C@@H](O)c1cn(CC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nn1 ZINC000762979996 1077988067 /nfs/dbraw/zinc/98/80/67/1077988067.db2.gz SZFMRQRXOJGRDE-MSOLQXFVSA-N 1 0 413.526 0.787 20 0 HCADRO C[C@@H](O)c1cn(CC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nn1 ZINC000762980000 1077987982 /nfs/dbraw/zinc/98/79/82/1077987982.db2.gz SZFMRQRXOJGRDE-QZTJIDSGSA-N 1 0 413.526 0.787 20 0 HCADRO C[C@H](O)c1cn(CC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nn1 ZINC000762980003 1077988165 /nfs/dbraw/zinc/98/81/65/1077988165.db2.gz SZFMRQRXOJGRDE-ROUUACIJSA-N 1 0 413.526 0.787 20 0 HCADRO C[C@H](O)c1cn(CC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nn1 ZINC000762980007 1077988037 /nfs/dbraw/zinc/98/80/37/1077988037.db2.gz SZFMRQRXOJGRDE-ZWKOTPCHSA-N 1 0 413.526 0.787 20 0 HCADRO C[C@@H]1NC(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)=NN(c2ccccc2)C1=O ZINC000762980706 1077987099 /nfs/dbraw/zinc/98/70/99/1077987099.db2.gz ANLREHHCACOFAY-OXJNMPFZSA-N 1 0 421.501 0.860 20 0 HCADRO C[C@H]1NC(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)=NN(c2ccccc2)C1=O ZINC000762980709 1077987533 /nfs/dbraw/zinc/98/75/33/1077987533.db2.gz ANLREHHCACOFAY-OXQOHEQNSA-N 1 0 421.501 0.860 20 0 HCADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000762982304 1077986628 /nfs/dbraw/zinc/98/66/28/1077986628.db2.gz YOQPFPRNYHWDTH-GOSISDBHSA-N 1 0 416.503 0.019 20 0 HCADRO NC(=O)[C@@H]1CC(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)=NN1c1ccccc1 ZINC000762982311 1077986254 /nfs/dbraw/zinc/98/62/54/1077986254.db2.gz YWUQMGVRQGAYBG-CTNGQTDRSA-N 1 0 421.501 0.642 20 0 HCADRO NC(=O)[C@H]1CC(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)=NN1c1ccccc1 ZINC000762982319 1077986772 /nfs/dbraw/zinc/98/67/72/1077986772.db2.gz YWUQMGVRQGAYBG-TZIWHRDSSA-N 1 0 421.501 0.642 20 0 HCADRO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)c1 ZINC000763024721 1077996373 /nfs/dbraw/zinc/99/63/73/1077996373.db2.gz JFTZWDRQXDILAY-UHFFFAOYSA-N 1 0 415.537 0.852 20 0 HCADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)Cn2cc([C@H](C)O)nn2)CC1)C(C)C ZINC000763027387 1077997638 /nfs/dbraw/zinc/99/76/38/1077997638.db2.gz DCWBWZDXHIKSRS-INIZCTEOSA-N 1 0 408.547 0.805 20 0 HCADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)Cn2cc([C@@H](C)O)nn2)CC1)C(C)C ZINC000763027389 1077997691 /nfs/dbraw/zinc/99/76/91/1077997691.db2.gz DCWBWZDXHIKSRS-MRXNPFEDSA-N 1 0 408.547 0.805 20 0 HCADRO C[C@H](O)c1cn(CC(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nn1 ZINC000763043036 1078000803 /nfs/dbraw/zinc/00/08/03/1078000803.db2.gz BBCOZKXUWPMWNH-HNNXBMFYSA-N 1 0 400.483 0.473 20 0 HCADRO C[C@@H](O)c1cn(CC(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nn1 ZINC000763043038 1078000694 /nfs/dbraw/zinc/00/06/94/1078000694.db2.gz BBCOZKXUWPMWNH-OAHLLOKOSA-N 1 0 400.483 0.473 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)cc1 ZINC000763043250 1078000664 /nfs/dbraw/zinc/00/06/64/1078000664.db2.gz PIUYQSGSPNCIND-UHFFFAOYSA-N 1 0 408.568 0.902 20 0 HCADRO C[C@@H](O)c1cn(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)nn1 ZINC000763044465 1078000930 /nfs/dbraw/zinc/00/09/30/1078000930.db2.gz LKHAMRDSSLQEKI-PBHICJAKSA-N 1 0 400.483 0.345 20 0 HCADRO C[C@@H](O)c1cn(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)nn1 ZINC000763044466 1078000982 /nfs/dbraw/zinc/00/09/82/1078000982.db2.gz LKHAMRDSSLQEKI-RHSMWYFYSA-N 1 0 400.483 0.345 20 0 HCADRO C[C@H](O)c1cn(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)nn1 ZINC000763044467 1078000906 /nfs/dbraw/zinc/00/09/06/1078000906.db2.gz LKHAMRDSSLQEKI-WMLDXEAASA-N 1 0 400.483 0.345 20 0 HCADRO C[C@H](O)c1cn(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)nn1 ZINC000763044468 1078000945 /nfs/dbraw/zinc/00/09/45/1078000945.db2.gz LKHAMRDSSLQEKI-YOEHRIQHSA-N 1 0 400.483 0.345 20 0 HCADRO C[NH+](C)C1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCC1 ZINC000763044571 1078000723 /nfs/dbraw/zinc/00/07/23/1078000723.db2.gz OGTNFKNYKGUOMZ-UHFFFAOYSA-N 1 0 422.507 0.335 20 0 HCADRO C[C@H](O)c1cn(CC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)nn1 ZINC000763051135 1078001321 /nfs/dbraw/zinc/00/13/21/1078001321.db2.gz KZYTVDDIVDVFJM-INIZCTEOSA-N 1 0 402.499 0.621 20 0 HCADRO C[C@@H](O)c1cn(CC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)nn1 ZINC000763051139 1078001418 /nfs/dbraw/zinc/00/14/18/1078001418.db2.gz KZYTVDDIVDVFJM-MRXNPFEDSA-N 1 0 402.499 0.621 20 0 HCADRO Cc1ccc(NC(=O)C[NH2+][C@@H](CCO)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000763060399 1078001910 /nfs/dbraw/zinc/00/19/10/1078001910.db2.gz SXULTPODTIPLBN-KRWDZBQOSA-N 1 0 411.524 0.705 20 0 HCADRO Cc1ccc(NC(=O)C[NH2+][C@H](CCO)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000763060402 1078001864 /nfs/dbraw/zinc/00/18/64/1078001864.db2.gz SXULTPODTIPLBN-QGZVFWFLSA-N 1 0 411.524 0.705 20 0 HCADRO CCN(C(=O)C[NH2+][C@@H](CCO)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000763060485 1078001880 /nfs/dbraw/zinc/00/18/80/1078001880.db2.gz UTTHWBASYNPFBJ-INIZCTEOSA-N 1 0 415.494 0.683 20 0 HCADRO CCN(C(=O)C[NH2+][C@H](CCO)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000763060486 1078001949 /nfs/dbraw/zinc/00/19/49/1078001949.db2.gz UTTHWBASYNPFBJ-MRXNPFEDSA-N 1 0 415.494 0.683 20 0 HCADRO CCn1c(=O)c(C(=O)C[NH2+][C@@H](CCO)C2CC2)c(N)n(Cc2ccccc2)c1=O ZINC000763064396 1078002293 /nfs/dbraw/zinc/00/22/93/1078002293.db2.gz JGLDOAGYNFKNTF-INIZCTEOSA-N 1 0 400.479 0.594 20 0 HCADRO CCn1c(=O)c(C(=O)C[NH2+][C@H](CCO)C2CC2)c(N)n(Cc2ccccc2)c1=O ZINC000763064863 1078002362 /nfs/dbraw/zinc/00/23/62/1078002362.db2.gz JGLDOAGYNFKNTF-MRXNPFEDSA-N 1 0 400.479 0.594 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000763066331 1078002390 /nfs/dbraw/zinc/00/23/90/1078002390.db2.gz YIIGFFCRACCLHN-INIZCTEOSA-N 1 0 409.531 0.801 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000763066332 1078002311 /nfs/dbraw/zinc/00/23/11/1078002311.db2.gz YIIGFFCRACCLHN-MRXNPFEDSA-N 1 0 409.531 0.801 20 0 HCADRO CCN1C(=O)c2ccc(C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2S1(=O)=O ZINC000763068649 1078001744 /nfs/dbraw/zinc/00/17/44/1078001744.db2.gz DUCLQXXCIAUKJT-HNNXBMFYSA-N 1 0 409.508 0.818 20 0 HCADRO CCN1C(=O)c2ccc(C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2S1(=O)=O ZINC000763068656 1078001955 /nfs/dbraw/zinc/00/19/55/1078001955.db2.gz DUCLQXXCIAUKJT-OAHLLOKOSA-N 1 0 409.508 0.818 20 0 HCADRO CCn1c(=O)c2ccccc2n(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1=O ZINC000763068758 1078001797 /nfs/dbraw/zinc/00/17/97/1078001797.db2.gz FGYXTOBJZOCBCQ-INIZCTEOSA-N 1 0 402.495 0.536 20 0 HCADRO CCn1c(=O)c2ccccc2n(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1=O ZINC000763068762 1078001723 /nfs/dbraw/zinc/00/17/23/1078001723.db2.gz FGYXTOBJZOCBCQ-MRXNPFEDSA-N 1 0 402.495 0.536 20 0 HCADRO CCN(C(=O)C[NH2+][C@@H](CO)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000763070535 1078002248 /nfs/dbraw/zinc/00/22/48/1078002248.db2.gz PTPKNEJRPFQNJI-HNNXBMFYSA-N 1 0 401.467 0.293 20 0 HCADRO CCN(C(=O)C[NH2+][C@H](CO)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000763070539 1078002338 /nfs/dbraw/zinc/00/23/38/1078002338.db2.gz PTPKNEJRPFQNJI-OAHLLOKOSA-N 1 0 401.467 0.293 20 0 HCADRO CC(C)(C)OC(=O)N1CCN(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C(=O)C1 ZINC000763071012 1078002625 /nfs/dbraw/zinc/00/26/25/1078002625.db2.gz DDTDRISKXIYSSC-INIZCTEOSA-N 1 0 412.531 0.419 20 0 HCADRO CC(C)(C)OC(=O)N1CCN(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C(=O)C1 ZINC000763071021 1078002520 /nfs/dbraw/zinc/00/25/20/1078002520.db2.gz DDTDRISKXIYSSC-MRXNPFEDSA-N 1 0 412.531 0.419 20 0 HCADRO C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C1=O ZINC000763072231 1078002475 /nfs/dbraw/zinc/00/24/75/1078002475.db2.gz SIPHQXNLTOIPLL-DYESRHJHSA-N 1 0 402.495 0.807 20 0 HCADRO C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C1=O ZINC000763072236 1078002544 /nfs/dbraw/zinc/00/25/44/1078002544.db2.gz SIPHQXNLTOIPLL-LAUBAEHRSA-N 1 0 402.495 0.807 20 0 HCADRO C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C1=O ZINC000763072242 1078002587 /nfs/dbraw/zinc/00/25/87/1078002587.db2.gz SIPHQXNLTOIPLL-UTKZUKDTSA-N 1 0 402.495 0.807 20 0 HCADRO C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C1=O ZINC000763072246 1078002494 /nfs/dbraw/zinc/00/24/94/1078002494.db2.gz SIPHQXNLTOIPLL-UWJYYQICSA-N 1 0 402.495 0.807 20 0 HCADRO CN(CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO)C1=NS(=O)(=O)c2ccccc21 ZINC000763074299 1078002877 /nfs/dbraw/zinc/00/28/77/1078002877.db2.gz OONOZPNKKFXRRT-HNNXBMFYSA-N 1 0 408.524 0.420 20 0 HCADRO CN(CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)C1=NS(=O)(=O)c2ccccc21 ZINC000763074303 1078002920 /nfs/dbraw/zinc/00/29/20/1078002920.db2.gz OONOZPNKKFXRRT-OAHLLOKOSA-N 1 0 408.524 0.420 20 0 HCADRO COC(=O)[C@@]1(NC(=O)Cn2cc([C@@H](C)O)nn2)CCC[N@H+](Cc2ccccc2)C1 ZINC000763075813 1078002895 /nfs/dbraw/zinc/00/28/95/1078002895.db2.gz UGTPNJMTOWHRFP-FOIQADDNSA-N 1 0 401.467 0.655 20 0 HCADRO COC(=O)[C@@]1(NC(=O)Cn2cc([C@H](C)O)nn2)CCC[N@H+](Cc2ccccc2)C1 ZINC000763075814 1078002790 /nfs/dbraw/zinc/00/27/90/1078002790.db2.gz UGTPNJMTOWHRFP-MGPUTAFESA-N 1 0 401.467 0.655 20 0 HCADRO COC(=O)[C@]1(NC(=O)Cn2cc([C@@H](C)O)nn2)CCC[N@H+](Cc2ccccc2)C1 ZINC000763075816 1078002762 /nfs/dbraw/zinc/00/27/62/1078002762.db2.gz UGTPNJMTOWHRFP-QRWLVFNGSA-N 1 0 401.467 0.655 20 0 HCADRO COC(=O)[C@]1(NC(=O)Cn2cc([C@H](C)O)nn2)CCC[N@H+](Cc2ccccc2)C1 ZINC000763075818 1078002712 /nfs/dbraw/zinc/00/27/12/1078002712.db2.gz UGTPNJMTOWHRFP-YWZLYKJASA-N 1 0 401.467 0.655 20 0 HCADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000763083333 1078003559 /nfs/dbraw/zinc/00/35/59/1078003559.db2.gz IAQSYBQVOQWGMM-IZDJOXEWSA-N 1 0 420.466 0.671 20 0 HCADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000763083335 1078003417 /nfs/dbraw/zinc/00/34/17/1078003417.db2.gz IAQSYBQVOQWGMM-MTJIALIYSA-N 1 0 420.466 0.671 20 0 HCADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000763083336 1078003393 /nfs/dbraw/zinc/00/33/93/1078003393.db2.gz IAQSYBQVOQWGMM-UVARLRKDSA-N 1 0 420.466 0.671 20 0 HCADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000763083338 1078003443 /nfs/dbraw/zinc/00/34/43/1078003443.db2.gz IAQSYBQVOQWGMM-VFGMZZLHSA-N 1 0 420.466 0.671 20 0 HCADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000763112584 1078004804 /nfs/dbraw/zinc/00/48/04/1078004804.db2.gz OPMXVQGHMNOGID-CVEARBPZSA-N 1 0 421.523 0.729 20 0 HCADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000763112586 1078004716 /nfs/dbraw/zinc/00/47/16/1078004716.db2.gz OPMXVQGHMNOGID-HOTGVXAUSA-N 1 0 421.523 0.729 20 0 HCADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000763112588 1078004692 /nfs/dbraw/zinc/00/46/92/1078004692.db2.gz OPMXVQGHMNOGID-HZPDHXFCSA-N 1 0 421.523 0.729 20 0 HCADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000763112590 1078004786 /nfs/dbraw/zinc/00/47/86/1078004786.db2.gz OPMXVQGHMNOGID-JKSUJKDBSA-N 1 0 421.523 0.729 20 0 HCADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H]3CCCC[C@@H]3C(N)=O)C2=O)cc1 ZINC000763112750 1078004669 /nfs/dbraw/zinc/00/46/69/1078004669.db2.gz PQOQRCTYJPSMOI-AVYPCKFXSA-N 1 0 417.466 0.127 20 0 HCADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@@H]3CCCC[C@@H]3C(N)=O)C2=O)cc1 ZINC000763112753 1078004739 /nfs/dbraw/zinc/00/47/39/1078004739.db2.gz PQOQRCTYJPSMOI-MDOVXXIYSA-N 1 0 417.466 0.127 20 0 HCADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H]3CCCC[C@H]3C(N)=O)C2=O)cc1 ZINC000763112755 1078004822 /nfs/dbraw/zinc/00/48/22/1078004822.db2.gz PQOQRCTYJPSMOI-SIFCLUCFSA-N 1 0 417.466 0.127 20 0 HCADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@@H]3CCCC[C@H]3C(N)=O)C2=O)cc1 ZINC000763112757 1078004624 /nfs/dbraw/zinc/00/46/24/1078004624.db2.gz PQOQRCTYJPSMOI-SXGZJXTBSA-N 1 0 417.466 0.127 20 0 HCADRO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)C1=O ZINC000763114409 1078006725 /nfs/dbraw/zinc/00/67/25/1078006725.db2.gz SQQYSTCUBRRXHW-CKJXQJPGSA-N 1 0 415.494 0.595 20 0 HCADRO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)C1=O ZINC000763114411 1078006609 /nfs/dbraw/zinc/00/66/09/1078006609.db2.gz SQQYSTCUBRRXHW-GCKMJXCFSA-N 1 0 415.494 0.595 20 0 HCADRO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)C1=O ZINC000763114414 1078006752 /nfs/dbraw/zinc/00/67/52/1078006752.db2.gz SQQYSTCUBRRXHW-VWKPWSFCSA-N 1 0 415.494 0.595 20 0 HCADRO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)C1=O ZINC000763114416 1078006642 /nfs/dbraw/zinc/00/66/42/1078006642.db2.gz SQQYSTCUBRRXHW-WHSLLNHNSA-N 1 0 415.494 0.595 20 0 HCADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)cc2)CC1 ZINC000763162057 1078015905 /nfs/dbraw/zinc/01/59/05/1078015905.db2.gz DAICXNVXDVJRCD-KRWDZBQOSA-N 1 0 416.526 0.672 20 0 HCADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)cc2)CC1 ZINC000763162060 1078015950 /nfs/dbraw/zinc/01/59/50/1078015950.db2.gz DAICXNVXDVJRCD-QGZVFWFLSA-N 1 0 416.526 0.672 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)ccn1 ZINC000763162857 1078015278 /nfs/dbraw/zinc/01/52/78/1078015278.db2.gz HKWSIVYXWASRFJ-UHFFFAOYSA-N 1 0 423.477 0.917 20 0 HCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)cc2F)CC1 ZINC000763167318 1078016225 /nfs/dbraw/zinc/01/62/25/1078016225.db2.gz ZWECONBMAJCBOJ-AWEZNQCLSA-N 1 0 420.489 0.564 20 0 HCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)cc2F)CC1 ZINC000763167320 1078016220 /nfs/dbraw/zinc/01/62/20/1078016220.db2.gz ZWECONBMAJCBOJ-CQSZACIVSA-N 1 0 420.489 0.564 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)ccn1 ZINC000763172947 1078018096 /nfs/dbraw/zinc/01/80/96/1078018096.db2.gz FVRQOHQTOICNBN-UHFFFAOYSA-N 1 0 409.450 0.858 20 0 HCADRO CN(C)C(=O)c1ccccc1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000763173441 1078020796 /nfs/dbraw/zinc/02/07/96/1078020796.db2.gz NMKKQPYXPKPLHX-UHFFFAOYSA-N 1 0 413.478 0.979 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)ccn1 ZINC000763173455 1078020183 /nfs/dbraw/zinc/02/01/83/1078020183.db2.gz OEDPDTBOTZGUQK-UHFFFAOYSA-N 1 0 410.438 0.253 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)ccn1 ZINC000763173915 1078020813 /nfs/dbraw/zinc/02/08/13/1078020813.db2.gz QSUCRGOVXSHSIM-UHFFFAOYSA-N 1 0 409.450 0.858 20 0 HCADRO C[NH+]1CCN(CCNC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CC1 ZINC000763213474 1078033660 /nfs/dbraw/zinc/03/36/60/1078033660.db2.gz SLFXWOYXAARVKD-UHFFFAOYSA-N 1 0 420.901 0.800 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)ccn1 ZINC000763219270 1078036163 /nfs/dbraw/zinc/03/61/63/1078036163.db2.gz BEXDZIHCCGFINN-KRWDZBQOSA-N 1 0 405.480 0.368 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)ccn1 ZINC000763219274 1078036229 /nfs/dbraw/zinc/03/62/29/1078036229.db2.gz BEXDZIHCCGFINN-QGZVFWFLSA-N 1 0 405.480 0.368 20 0 HCADRO C[NH+](C)CCOc1cc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)ccn1 ZINC000763221059 1078037222 /nfs/dbraw/zinc/03/72/22/1078037222.db2.gz KPKVHDYDSBLAEZ-UHFFFAOYSA-N 1 0 418.475 0.483 20 0 HCADRO C[C@@H]1NC(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)=NN(c2ccccc2)C1=O ZINC000763221886 1078036119 /nfs/dbraw/zinc/03/61/19/1078036119.db2.gz NHTPUUJHNCRHNC-HNNXBMFYSA-N 1 0 410.478 0.977 20 0 HCADRO C[C@H]1NC(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)=NN(c2ccccc2)C1=O ZINC000763221888 1078036128 /nfs/dbraw/zinc/03/61/28/1078036128.db2.gz NHTPUUJHNCRHNC-OAHLLOKOSA-N 1 0 410.478 0.977 20 0 HCADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)CC1 ZINC000763228203 1078038163 /nfs/dbraw/zinc/03/81/63/1078038163.db2.gz CNWIWJYTLOYPJV-CALCHBBNSA-N 1 0 407.540 0.159 20 0 HCADRO C[C@H]1NC(C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)=NN(c2ccccc2)C1=O ZINC000763228929 1078038061 /nfs/dbraw/zinc/03/80/61/1078038061.db2.gz FLOAPYJJXAZVTJ-KURKYZTESA-N 1 0 412.538 1.000 20 0 HCADRO C[C@@H]1NC(C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)=NN(c2ccccc2)C1=O ZINC000763228930 1078038078 /nfs/dbraw/zinc/03/80/78/1078038078.db2.gz FLOAPYJJXAZVTJ-OKZBNKHCSA-N 1 0 412.538 1.000 20 0 HCADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CC2)CC1 ZINC000763229008 1078038107 /nfs/dbraw/zinc/03/81/07/1078038107.db2.gz JTIAWUBJYMSURQ-IYBDPMFKSA-N 1 0 407.540 0.159 20 0 HCADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CC2)CC1 ZINC000763234587 1078038361 /nfs/dbraw/zinc/03/83/61/1078038361.db2.gz ZPLFGSZRJATRLU-FUHIMQAGSA-N 1 0 412.538 0.781 20 0 HCADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CC2)CC1 ZINC000763234595 1078038307 /nfs/dbraw/zinc/03/83/07/1078038307.db2.gz ZPLFGSZRJATRLU-QKLQHJQFSA-N 1 0 412.538 0.781 20 0 HCADRO CS[C@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@@H]1[NH+](C)C ZINC000763236809 1078038561 /nfs/dbraw/zinc/03/85/61/1078038561.db2.gz IFKMWVBOXVNMKJ-KBPBESRZSA-N 1 0 400.545 0.570 20 0 HCADRO CS[C@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@H]1[NH+](C)C ZINC000763236811 1078038506 /nfs/dbraw/zinc/03/85/06/1078038506.db2.gz IFKMWVBOXVNMKJ-KGLIPLIRSA-N 1 0 400.545 0.570 20 0 HCADRO CS[C@@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@@H]1[NH+](C)C ZINC000763236813 1078038591 /nfs/dbraw/zinc/03/85/91/1078038591.db2.gz IFKMWVBOXVNMKJ-UONOGXRCSA-N 1 0 400.545 0.570 20 0 HCADRO CS[C@@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@H]1[NH+](C)C ZINC000763236815 1078038536 /nfs/dbraw/zinc/03/85/36/1078038536.db2.gz IFKMWVBOXVNMKJ-ZIAGYGMSSA-N 1 0 400.545 0.570 20 0 HCADRO C[NH+](C)CCOc1cc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)ccn1 ZINC000763257628 1078045476 /nfs/dbraw/zinc/04/54/76/1078045476.db2.gz OLCWPVKOQMEIFS-AWEZNQCLSA-N 1 0 423.495 0.126 20 0 HCADRO C[NH+](C)CCOc1cc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)ccn1 ZINC000763257634 1078045568 /nfs/dbraw/zinc/04/55/68/1078045568.db2.gz OLCWPVKOQMEIFS-CQSZACIVSA-N 1 0 423.495 0.126 20 0 HCADRO CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000763291941 1078048975 /nfs/dbraw/zinc/04/89/75/1078048975.db2.gz KMWZVVWTNGMOFZ-IBGZPJMESA-N 1 0 401.511 0.310 20 0 HCADRO CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000763291943 1078048805 /nfs/dbraw/zinc/04/88/05/1078048805.db2.gz KMWZVVWTNGMOFZ-LJQANCHMSA-N 1 0 401.511 0.310 20 0 HCADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(S(C)(=O)=O)c3ccccc3C1)C2=O ZINC000763328773 1078051319 /nfs/dbraw/zinc/05/13/19/1078051319.db2.gz UKQQOCYOSGEXOQ-UHFFFAOYSA-N 1 0 421.523 0.242 20 0 HCADRO C[C@H]1CN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763331447 1078051602 /nfs/dbraw/zinc/05/16/02/1078051602.db2.gz DHNBLHUXUJCQGK-DOTOQJQBSA-N 1 0 419.551 0.954 20 0 HCADRO C[C@@H]1CN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763331450 1078051611 /nfs/dbraw/zinc/05/16/11/1078051611.db2.gz DHNBLHUXUJCQGK-NVXWUHKLSA-N 1 0 419.551 0.954 20 0 HCADRO C[C@H]1CN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763331454 1078051574 /nfs/dbraw/zinc/05/15/74/1078051574.db2.gz DHNBLHUXUJCQGK-RDJZCZTQSA-N 1 0 419.551 0.954 20 0 HCADRO C[C@@H]1CN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763331458 1078051492 /nfs/dbraw/zinc/05/14/92/1078051492.db2.gz DHNBLHUXUJCQGK-WBVHZDCISA-N 1 0 419.551 0.954 20 0 HCADRO C[C@@H]1CN(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763333472 1078052032 /nfs/dbraw/zinc/05/20/32/1078052032.db2.gz INKANGZMLXFIEU-BHIYHBOVSA-N 1 0 402.543 0.253 20 0 HCADRO C[C@@H]1CN(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763333475 1078052025 /nfs/dbraw/zinc/05/20/25/1078052025.db2.gz INKANGZMLXFIEU-NEWSRXKRSA-N 1 0 402.543 0.253 20 0 HCADRO C[C@@H]1CN(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763333477 1078051995 /nfs/dbraw/zinc/05/19/95/1078051995.db2.gz INKANGZMLXFIEU-NZSAHSFTSA-N 1 0 402.543 0.253 20 0 HCADRO C[C@@H]1CN(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763333479 1078051970 /nfs/dbraw/zinc/05/19/70/1078051970.db2.gz INKANGZMLXFIEU-QRQLOZEOSA-N 1 0 402.543 0.253 20 0 HCADRO C[C@H]1CN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763334169 1078052048 /nfs/dbraw/zinc/05/20/48/1078052048.db2.gz JGGFVBJEPHFCIM-HKUYNNGSSA-N 1 0 413.522 0.893 20 0 HCADRO C[C@@H]1CN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763334180 1078052288 /nfs/dbraw/zinc/05/22/88/1078052288.db2.gz JGGFVBJEPHFCIM-IEBWSBKVSA-N 1 0 413.522 0.893 20 0 HCADRO C[C@@H]1CN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763334184 1078052260 /nfs/dbraw/zinc/05/22/60/1078052260.db2.gz JGGFVBJEPHFCIM-MJGOQNOKSA-N 1 0 413.522 0.893 20 0 HCADRO C[C@H]1CN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763334187 1078052310 /nfs/dbraw/zinc/05/23/10/1078052310.db2.gz JGGFVBJEPHFCIM-PKOBYXMFSA-N 1 0 413.522 0.893 20 0 HCADRO C[C@H]1CN(CN2c3cc4c(cc3C(=O)C2=O)OCCO4)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763334233 1078051918 /nfs/dbraw/zinc/05/19/18/1078051918.db2.gz JLCXDYHHXUWEBE-DOTOQJQBSA-N 1 0 414.506 0.902 20 0 HCADRO C[C@@H]1CN(CN2c3cc4c(cc3C(=O)C2=O)OCCO4)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763334240 1078052009 /nfs/dbraw/zinc/05/20/09/1078052009.db2.gz JLCXDYHHXUWEBE-NVXWUHKLSA-N 1 0 414.506 0.902 20 0 HCADRO C[C@H]1CN(CN2c3cc4c(cc3C(=O)C2=O)OCCO4)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763334244 1078051940 /nfs/dbraw/zinc/05/19/40/1078051940.db2.gz JLCXDYHHXUWEBE-RDJZCZTQSA-N 1 0 414.506 0.902 20 0 HCADRO C[C@@H]1CN(CN2c3cc4c(cc3C(=O)C2=O)OCCO4)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763334246 1078052058 /nfs/dbraw/zinc/05/20/58/1078052058.db2.gz JLCXDYHHXUWEBE-WBVHZDCISA-N 1 0 414.506 0.902 20 0 HCADRO CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1=O ZINC000763335001 1078052002 /nfs/dbraw/zinc/05/20/02/1078052002.db2.gz KKVDGPJKFKKCSV-DJPFJPOOSA-N 1 0 417.558 0.493 20 0 HCADRO CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1=O ZINC000763335004 1078052037 /nfs/dbraw/zinc/05/20/37/1078052037.db2.gz KKVDGPJKFKKCSV-HGHGUNKESA-N 1 0 417.558 0.493 20 0 HCADRO CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1=O ZINC000763335007 1078052051 /nfs/dbraw/zinc/05/20/51/1078052051.db2.gz KKVDGPJKFKKCSV-PLMTUMEDSA-N 1 0 417.558 0.493 20 0 HCADRO CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1=O ZINC000763335010 1078052021 /nfs/dbraw/zinc/05/20/21/1078052021.db2.gz KKVDGPJKFKKCSV-YRISNDGFSA-N 1 0 417.558 0.493 20 0 HCADRO Cc1nn(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(=S)n1CC(=O)N(C)C ZINC000763338209 1078052237 /nfs/dbraw/zinc/05/22/37/1078052237.db2.gz OZIKWWHASNRAQR-DOTOQJQBSA-N 1 0 409.604 0.726 20 0 HCADRO Cc1nn(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(=S)n1CC(=O)N(C)C ZINC000763338212 1078052267 /nfs/dbraw/zinc/05/22/67/1078052267.db2.gz OZIKWWHASNRAQR-NVXWUHKLSA-N 1 0 409.604 0.726 20 0 HCADRO Cc1nn(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(=S)n1CC(=O)N(C)C ZINC000763338214 1078052182 /nfs/dbraw/zinc/05/21/82/1078052182.db2.gz OZIKWWHASNRAQR-RDJZCZTQSA-N 1 0 409.604 0.726 20 0 HCADRO Cc1nn(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(=S)n1CC(=O)N(C)C ZINC000763338216 1078052277 /nfs/dbraw/zinc/05/22/77/1078052277.db2.gz OZIKWWHASNRAQR-WBVHZDCISA-N 1 0 409.604 0.726 20 0 HCADRO CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000763356157 1078067336 /nfs/dbraw/zinc/06/73/36/1078067336.db2.gz OGYIEPIGBISYNW-FQEVSTJZSA-N 1 0 415.538 0.700 20 0 HCADRO CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000763356158 1078067185 /nfs/dbraw/zinc/06/71/85/1078067185.db2.gz OGYIEPIGBISYNW-HXUWFJFHSA-N 1 0 415.538 0.700 20 0 HCADRO CCOC(=O)N1CCC(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000763431222 1078486603 /nfs/dbraw/zinc/48/66/03/1078486603.db2.gz RBXNWWRANXBQEZ-AEFFLSMTSA-N 1 0 416.588 0.895 20 0 HCADRO CCOC(=O)N1CCC(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000763431248 1078500913 /nfs/dbraw/zinc/50/09/13/1078500913.db2.gz RBXNWWRANXBQEZ-FUHWJXTLSA-N 1 0 416.588 0.895 20 0 HCADRO CCOC(=O)N1CCC(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000763431254 1078657615 /nfs/dbraw/zinc/65/76/15/1078657615.db2.gz RBXNWWRANXBQEZ-SJLPKXTDSA-N 1 0 416.588 0.895 20 0 HCADRO CCOC(=O)N1CCC(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000763431260 1078657538 /nfs/dbraw/zinc/65/75/38/1078657538.db2.gz RBXNWWRANXBQEZ-WMZOPIPTSA-N 1 0 416.588 0.895 20 0 HCADRO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000763431341 1078651409 /nfs/dbraw/zinc/65/14/09/1078651409.db2.gz RNUJYOWIVOICMW-DZGCQCFKSA-N 1 0 413.544 0.541 20 0 HCADRO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000763431348 1078653754 /nfs/dbraw/zinc/65/37/54/1078653754.db2.gz RNUJYOWIVOICMW-HIFRSBDPSA-N 1 0 413.544 0.541 20 0 HCADRO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000763431355 1078665343 /nfs/dbraw/zinc/66/53/43/1078665343.db2.gz RNUJYOWIVOICMW-UKRRQHHQSA-N 1 0 413.544 0.541 20 0 HCADRO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000763431361 1078666728 /nfs/dbraw/zinc/66/67/28/1078666728.db2.gz RNUJYOWIVOICMW-ZFWWWQNUSA-N 1 0 413.544 0.541 20 0 HCADRO O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000763438197 1078905141 /nfs/dbraw/zinc/90/51/41/1078905141.db2.gz LGSHHTPXBONGAQ-IBGZPJMESA-N 1 0 419.485 0.903 20 0 HCADRO O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000763438199 1078905261 /nfs/dbraw/zinc/90/52/61/1078905261.db2.gz LGSHHTPXBONGAQ-LJQANCHMSA-N 1 0 419.485 0.903 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCOC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000763443179 1078972955 /nfs/dbraw/zinc/97/29/55/1078972955.db2.gz DVPLXCLHGSPEOS-GUDVDZBRSA-N 1 0 409.527 0.877 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000763443181 1078973657 /nfs/dbraw/zinc/97/36/57/1078973657.db2.gz DVPLXCLHGSPEOS-IPMKNSEASA-N 1 0 409.527 0.877 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCOC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000763443183 1078973722 /nfs/dbraw/zinc/97/37/22/1078973722.db2.gz DVPLXCLHGSPEOS-OTWHNJEPSA-N 1 0 409.527 0.877 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCOC[C@H]2C[C@H](O)c2ccco2)C1 ZINC000763443185 1078973514 /nfs/dbraw/zinc/97/35/14/1078973514.db2.gz DVPLXCLHGSPEOS-QRVBRYPASA-N 1 0 409.527 0.877 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCN4C(=O)OCC[C@H]4C3)cn2)CC1 ZINC000763464104 1078651463 /nfs/dbraw/zinc/65/14/63/1078651463.db2.gz VJHPPOKXRJVPEO-KRWDZBQOSA-N 1 0 402.499 0.960 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCN4C(=O)OCC[C@@H]4C3)cn2)CC1 ZINC000763464105 1078651400 /nfs/dbraw/zinc/65/14/00/1078651400.db2.gz VJHPPOKXRJVPEO-QGZVFWFLSA-N 1 0 402.499 0.960 20 0 HCADRO CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473395 1078719548 /nfs/dbraw/zinc/71/95/48/1078719548.db2.gz RGKCGZXUUROMMG-CVEARBPZSA-N 1 0 411.547 0.064 20 0 HCADRO CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473396 1078719670 /nfs/dbraw/zinc/71/96/70/1078719670.db2.gz RGKCGZXUUROMMG-HOTGVXAUSA-N 1 0 411.547 0.064 20 0 HCADRO CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473397 1078719851 /nfs/dbraw/zinc/71/98/51/1078719851.db2.gz RGKCGZXUUROMMG-HZPDHXFCSA-N 1 0 411.547 0.064 20 0 HCADRO CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473398 1078719617 /nfs/dbraw/zinc/71/96/17/1078719617.db2.gz RGKCGZXUUROMMG-JKSUJKDBSA-N 1 0 411.547 0.064 20 0 HCADRO CN(CC(C)(C)S(C)(=O)=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000763496566 1078855407 /nfs/dbraw/zinc/85/54/07/1078855407.db2.gz JCUSRVIIUZKXNH-UHFFFAOYSA-N 1 0 412.556 0.943 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000763496918 1078854683 /nfs/dbraw/zinc/85/46/83/1078854683.db2.gz NLWMXBLMVHGDSF-KRWDZBQOSA-N 1 0 403.483 0.714 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000763496919 1078854633 /nfs/dbraw/zinc/85/46/33/1078854633.db2.gz NLWMXBLMVHGDSF-QGZVFWFLSA-N 1 0 403.483 0.714 20 0 HCADRO CS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)Cc2ccccc21 ZINC000763497393 1078857144 /nfs/dbraw/zinc/85/71/44/1078857144.db2.gz GAUJKUTUPNPAIK-DLBZAZTESA-N 1 0 408.524 0.841 20 0 HCADRO CS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)Cc2ccccc21 ZINC000763497394 1078857124 /nfs/dbraw/zinc/85/71/24/1078857124.db2.gz GAUJKUTUPNPAIK-IAGOWNOFSA-N 1 0 408.524 0.841 20 0 HCADRO CS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)Cc2ccccc21 ZINC000763497395 1078857074 /nfs/dbraw/zinc/85/70/74/1078857074.db2.gz GAUJKUTUPNPAIK-IRXDYDNUSA-N 1 0 408.524 0.841 20 0 HCADRO CS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)Cc2ccccc21 ZINC000763497396 1078857054 /nfs/dbraw/zinc/85/70/54/1078857054.db2.gz GAUJKUTUPNPAIK-SJORKVTESA-N 1 0 408.524 0.841 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN2C(=O)OCC[C@H]2C1 ZINC000763498752 1078857554 /nfs/dbraw/zinc/85/75/54/1078857554.db2.gz SFTJXOZKCZMMID-KRWDZBQOSA-N 1 0 417.514 0.615 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000763498755 1078857562 /nfs/dbraw/zinc/85/75/62/1078857562.db2.gz SFTJXOZKCZMMID-QGZVFWFLSA-N 1 0 417.514 0.615 20 0 HCADRO CO[C@]1(C[NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CCOC1 ZINC000763569639 1078896633 /nfs/dbraw/zinc/89/66/33/1078896633.db2.gz AOACMPOUSRXEOX-BBRMVZONSA-N 1 0 406.526 0.868 20 0 HCADRO CO[C@]1(C[NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CCOC1 ZINC000763569644 1078896638 /nfs/dbraw/zinc/89/66/38/1078896638.db2.gz AOACMPOUSRXEOX-CJNGLKHVSA-N 1 0 406.526 0.868 20 0 HCADRO CO[C@@]1(C[NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CCOC1 ZINC000763569648 1078896570 /nfs/dbraw/zinc/89/65/70/1078896570.db2.gz AOACMPOUSRXEOX-CZUORRHYSA-N 1 0 406.526 0.868 20 0 HCADRO CO[C@@]1(C[NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CCOC1 ZINC000763569653 1078896595 /nfs/dbraw/zinc/89/65/95/1078896595.db2.gz AOACMPOUSRXEOX-XJKSGUPXSA-N 1 0 406.526 0.868 20 0 HCADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000763664444 1079064361 /nfs/dbraw/zinc/06/43/61/1079064361.db2.gz WVJRIZXTFYGSBT-MSOLQXFVSA-N 1 0 408.524 0.889 20 0 HCADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000763664449 1079064347 /nfs/dbraw/zinc/06/43/47/1079064347.db2.gz WVJRIZXTFYGSBT-QZTJIDSGSA-N 1 0 408.524 0.889 20 0 HCADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000763664452 1079064401 /nfs/dbraw/zinc/06/44/01/1079064401.db2.gz WVJRIZXTFYGSBT-ROUUACIJSA-N 1 0 408.524 0.889 20 0 HCADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000763664457 1079064390 /nfs/dbraw/zinc/06/43/90/1079064390.db2.gz WVJRIZXTFYGSBT-ZWKOTPCHSA-N 1 0 408.524 0.889 20 0 HCADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN4C(=O)OC[C@H]4C3)CC2)cc1 ZINC000763716545 1079094343 /nfs/dbraw/zinc/09/43/43/1079094343.db2.gz WVWPMDKBPODTCT-GOSISDBHSA-N 1 0 402.495 0.866 20 0 HCADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN4C(=O)OC[C@@H]4C3)CC2)cc1 ZINC000763716548 1079094431 /nfs/dbraw/zinc/09/44/31/1079094431.db2.gz WVWPMDKBPODTCT-SFHVURJKSA-N 1 0 402.495 0.866 20 0 HCADRO CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)CCN1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763734922 1079116794 /nfs/dbraw/zinc/11/67/94/1079116794.db2.gz NJOFEGSPYZGCLG-JYJNAYRXSA-N 1 0 405.495 0.252 20 0 HCADRO CN(C)C(=O)[C@@H]1C[N@H+](C[C@H]2CC3(CC3)C(=O)O2)CCN1C[C@H]1CC2(CC2)C(=O)O1 ZINC000763734924 1079116860 /nfs/dbraw/zinc/11/68/60/1079116860.db2.gz NJOFEGSPYZGCLG-OAGGEKHMSA-N 1 0 405.495 0.252 20 0 HCADRO CN(C)C(=O)[C@@H]1C[N@H+](C[C@H]2CC3(CC3)C(=O)O2)CCN1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763734927 1079117429 /nfs/dbraw/zinc/11/74/29/1079117429.db2.gz NJOFEGSPYZGCLG-PMPSAXMXSA-N 1 0 405.495 0.252 20 0 HCADRO CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)CCN1C[C@H]1CC2(CC2)C(=O)O1 ZINC000763734931 1079117567 /nfs/dbraw/zinc/11/75/67/1079117567.db2.gz NJOFEGSPYZGCLG-XHSDSOJGSA-N 1 0 405.495 0.252 20 0 HCADRO Cn1cc(/C=C/C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c(=O)n(C)c1=O ZINC000763764522 1079130070 /nfs/dbraw/zinc/13/00/70/1079130070.db2.gz XOHNNICEVDTZGL-VMPITWQZSA-N 1 0 412.494 0.661 20 0 HCADRO Cn1cc(/C=C\C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c(=O)n(C)c1=O ZINC000763764526 1079130121 /nfs/dbraw/zinc/13/01/21/1079130121.db2.gz XOHNNICEVDTZGL-YVMONPNESA-N 1 0 412.494 0.661 20 0 HCADRO CCCN(CC[NH+](CC)CC)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000763768934 1079131097 /nfs/dbraw/zinc/13/10/97/1079131097.db2.gz XOGFYAZEUYVTJC-HNNXBMFYSA-N 1 0 400.545 0.732 20 0 HCADRO CCCN(CC[NH+](CC)CC)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000763768935 1079131748 /nfs/dbraw/zinc/13/17/48/1079131748.db2.gz XOGFYAZEUYVTJC-OAHLLOKOSA-N 1 0 400.545 0.732 20 0 HCADRO CN1CC[NH+](CCCCNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000763792068 1079135998 /nfs/dbraw/zinc/13/59/98/1079135998.db2.gz FJFIXBPNCLXWFL-UHFFFAOYSA-N 1 0 406.911 0.884 20 0 HCADRO CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000763828691 1079176927 /nfs/dbraw/zinc/17/69/27/1079176927.db2.gz RRKQTFYILHKGIK-KRWDZBQOSA-N 1 0 409.531 0.010 20 0 HCADRO CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000763828692 1079176887 /nfs/dbraw/zinc/17/68/87/1079176887.db2.gz RRKQTFYILHKGIK-QGZVFWFLSA-N 1 0 409.531 0.010 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1 ZINC000763844742 1079183008 /nfs/dbraw/zinc/18/30/08/1079183008.db2.gz FSMYPBBAGMJPDS-INIZCTEOSA-N 1 0 417.466 0.568 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1 ZINC000763844744 1079182916 /nfs/dbraw/zinc/18/29/16/1079182916.db2.gz FSMYPBBAGMJPDS-MRXNPFEDSA-N 1 0 417.466 0.568 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCN3C(=O)OCC[C@H]3C2)CC1 ZINC000763845797 1079184145 /nfs/dbraw/zinc/18/41/45/1079184145.db2.gz MWGRFYRXEPMWTC-HNNXBMFYSA-N 1 0 401.467 0.430 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCN3C(=O)OCC[C@@H]3C2)CC1 ZINC000763845801 1079184167 /nfs/dbraw/zinc/18/41/67/1079184167.db2.gz MWGRFYRXEPMWTC-OAHLLOKOSA-N 1 0 401.467 0.430 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OCC[C@@H]4C3)cc2)CC1 ZINC000763847462 1079184582 /nfs/dbraw/zinc/18/45/82/1079184582.db2.gz IKHSHRPFDYWJKA-GOSISDBHSA-N 1 0 415.494 0.820 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OCC[C@H]4C3)cc2)CC1 ZINC000763847464 1079184815 /nfs/dbraw/zinc/18/48/15/1079184815.db2.gz IKHSHRPFDYWJKA-SFHVURJKSA-N 1 0 415.494 0.820 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CCCO1 ZINC000763850722 1079186807 /nfs/dbraw/zinc/18/68/07/1079186807.db2.gz GRSURVPBBQWIGX-HNNXBMFYSA-N 1 0 414.528 0.515 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CCCO1 ZINC000763850728 1079186750 /nfs/dbraw/zinc/18/67/50/1079186750.db2.gz GRSURVPBBQWIGX-OAHLLOKOSA-N 1 0 414.528 0.515 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OCC[C@@H]4C3)cc2)CC1 ZINC000763855246 1079181594 /nfs/dbraw/zinc/18/15/94/1079181594.db2.gz XBQLMKGZZILCBG-GOSISDBHSA-N 1 0 415.494 0.820 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OCC[C@H]4C3)cc2)CC1 ZINC000763855250 1079181461 /nfs/dbraw/zinc/18/14/61/1079181461.db2.gz XBQLMKGZZILCBG-SFHVURJKSA-N 1 0 415.494 0.820 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OCC[C@@H]4C3)c2)CC1 ZINC000763860202 1079201138 /nfs/dbraw/zinc/20/11/38/1079201138.db2.gz ZIXMFWCKZXMLQE-GOSISDBHSA-N 1 0 415.494 0.426 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OCC[C@H]4C3)c2)CC1 ZINC000763860207 1079201021 /nfs/dbraw/zinc/20/10/21/1079201021.db2.gz ZIXMFWCKZXMLQE-SFHVURJKSA-N 1 0 415.494 0.426 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)OCC[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000763862108 1079201930 /nfs/dbraw/zinc/20/19/30/1079201930.db2.gz RQQYOYQDFAAPMZ-HNNXBMFYSA-N 1 0 404.467 0.927 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)OCC[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000763862109 1079202040 /nfs/dbraw/zinc/20/20/40/1079202040.db2.gz RQQYOYQDFAAPMZ-OAHLLOKOSA-N 1 0 404.467 0.927 20 0 HCADRO CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000763882450 1079207527 /nfs/dbraw/zinc/20/75/27/1079207527.db2.gz AOQKIKGQEJNWJQ-UHFFFAOYSA-N 1 0 410.540 0.659 20 0 HCADRO CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000763885666 1079208379 /nfs/dbraw/zinc/20/83/79/1079208379.db2.gz XJKKIZSYJPEQFA-UHFFFAOYSA-N 1 0 424.567 0.654 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763913468 1079214873 /nfs/dbraw/zinc/21/48/73/1079214873.db2.gz ATIJQBMZEOUREW-DOTOQJQBSA-N 1 0 412.498 0.085 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763913472 1079214912 /nfs/dbraw/zinc/21/49/12/1079214912.db2.gz ATIJQBMZEOUREW-NVXWUHKLSA-N 1 0 412.498 0.085 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763913475 1079214906 /nfs/dbraw/zinc/21/49/06/1079214906.db2.gz ATIJQBMZEOUREW-RDJZCZTQSA-N 1 0 412.498 0.085 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763913478 1079214917 /nfs/dbraw/zinc/21/49/17/1079214917.db2.gz ATIJQBMZEOUREW-WBVHZDCISA-N 1 0 412.498 0.085 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763915912 1079213249 /nfs/dbraw/zinc/21/32/49/1079213249.db2.gz OYKLPMCQQHIMKS-APWZRJJASA-N 1 0 411.510 0.690 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763915913 1079213348 /nfs/dbraw/zinc/21/33/48/1079213348.db2.gz OYKLPMCQQHIMKS-LPHOPBHVSA-N 1 0 411.510 0.690 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763915916 1079213233 /nfs/dbraw/zinc/21/32/33/1079213233.db2.gz OYKLPMCQQHIMKS-QFBILLFUSA-N 1 0 411.510 0.690 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763915918 1079213254 /nfs/dbraw/zinc/21/32/54/1079213254.db2.gz OYKLPMCQQHIMKS-VQIMIIECSA-N 1 0 411.510 0.690 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(N(C)C)n1 ZINC000763916992 1079217048 /nfs/dbraw/zinc/21/70/48/1079217048.db2.gz WAGWLXJMUWOCJB-CRAIPNDOSA-N 1 0 402.543 0.879 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(N(C)C)n1 ZINC000763916994 1079217105 /nfs/dbraw/zinc/21/71/05/1079217105.db2.gz WAGWLXJMUWOCJB-MAUKXSAKSA-N 1 0 402.543 0.879 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(N(C)C)n1 ZINC000763916996 1079217091 /nfs/dbraw/zinc/21/70/91/1079217091.db2.gz WAGWLXJMUWOCJB-QAPCUYQASA-N 1 0 402.543 0.879 20 0 HCADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(N(C)C)n1 ZINC000763916998 1079217027 /nfs/dbraw/zinc/21/70/27/1079217027.db2.gz WAGWLXJMUWOCJB-YJBOKZPZSA-N 1 0 402.543 0.879 20 0 HCADRO CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000763960223 1079228552 /nfs/dbraw/zinc/22/85/52/1079228552.db2.gz PDUVTIIFAKXZJX-HNNXBMFYSA-N 1 0 414.572 0.961 20 0 HCADRO CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000763960226 1079229317 /nfs/dbraw/zinc/22/93/17/1079229317.db2.gz PDUVTIIFAKXZJX-OAHLLOKOSA-N 1 0 414.572 0.961 20 0 HCADRO C[N@H+](CC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCSC1 ZINC000763971800 1079254536 /nfs/dbraw/zinc/25/45/36/1079254536.db2.gz OCFJCTWYTMRMPW-AWEZNQCLSA-N 1 0 400.545 0.619 20 0 HCADRO C[N@H+](CC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCSC1 ZINC000763971805 1079254757 /nfs/dbraw/zinc/25/47/57/1079254757.db2.gz OCFJCTWYTMRMPW-CQSZACIVSA-N 1 0 400.545 0.619 20 0 HCADRO Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000764021613 1079292770 /nfs/dbraw/zinc/29/27/70/1079292770.db2.gz UHOJMJPEPRCGMN-DOTOQJQBSA-N 1 0 409.483 0.440 20 0 HCADRO Cc1cc(O)cc(=O)n1[C@H](C)C(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000764021615 1079292851 /nfs/dbraw/zinc/29/28/51/1079292851.db2.gz UHOJMJPEPRCGMN-NVXWUHKLSA-N 1 0 409.483 0.440 20 0 HCADRO Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000764021618 1079292873 /nfs/dbraw/zinc/29/28/73/1079292873.db2.gz UHOJMJPEPRCGMN-RDJZCZTQSA-N 1 0 409.483 0.440 20 0 HCADRO Cc1cc(O)cc(=O)n1[C@H](C)C(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000764021620 1079292901 /nfs/dbraw/zinc/29/29/01/1079292901.db2.gz UHOJMJPEPRCGMN-WBVHZDCISA-N 1 0 409.483 0.440 20 0 HCADRO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000764030623 1079297066 /nfs/dbraw/zinc/29/70/66/1079297066.db2.gz CWBHJOGEDHJCIF-UHFFFAOYSA-N 1 0 412.512 0.601 20 0 HCADRO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000764035576 1079301334 /nfs/dbraw/zinc/30/13/34/1079301334.db2.gz DEMAFSAWJNHQTM-UHFFFAOYSA-N 1 0 414.528 0.847 20 0 HCADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000764062684 1079303859 /nfs/dbraw/zinc/30/38/59/1079303859.db2.gz MBTSWDXIHZTOBS-DLBZAZTESA-N 1 0 423.558 0.256 20 0 HCADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000764062741 1079303820 /nfs/dbraw/zinc/30/38/20/1079303820.db2.gz MBTSWDXIHZTOBS-IAGOWNOFSA-N 1 0 423.558 0.256 20 0 HCADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000764062744 1079304388 /nfs/dbraw/zinc/30/43/88/1079304388.db2.gz MBTSWDXIHZTOBS-IRXDYDNUSA-N 1 0 423.558 0.256 20 0 HCADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000764062747 1079304457 /nfs/dbraw/zinc/30/44/57/1079304457.db2.gz MBTSWDXIHZTOBS-SJORKVTESA-N 1 0 423.558 0.256 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1F ZINC000764068733 1079305139 /nfs/dbraw/zinc/30/51/39/1079305139.db2.gz MZMBVOSNQLPSOL-PBHICJAKSA-N 1 0 412.531 0.832 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1F ZINC000764068734 1079305184 /nfs/dbraw/zinc/30/51/84/1079305184.db2.gz MZMBVOSNQLPSOL-RHSMWYFYSA-N 1 0 412.531 0.832 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1F ZINC000764068735 1079305286 /nfs/dbraw/zinc/30/52/86/1079305286.db2.gz MZMBVOSNQLPSOL-WMLDXEAASA-N 1 0 412.531 0.832 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1F ZINC000764068736 1079305308 /nfs/dbraw/zinc/30/53/08/1079305308.db2.gz MZMBVOSNQLPSOL-YOEHRIQHSA-N 1 0 412.531 0.832 20 0 HCADRO CON(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000764068832 1079305248 /nfs/dbraw/zinc/30/52/48/1079305248.db2.gz NTBBGUMGLJSEHV-APWZRJJASA-N 1 0 424.567 0.967 20 0 HCADRO CON(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000764068835 1079305200 /nfs/dbraw/zinc/30/52/00/1079305200.db2.gz NTBBGUMGLJSEHV-LPHOPBHVSA-N 1 0 424.567 0.967 20 0 HCADRO CON(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000764068838 1079305236 /nfs/dbraw/zinc/30/52/36/1079305236.db2.gz NTBBGUMGLJSEHV-QFBILLFUSA-N 1 0 424.567 0.967 20 0 HCADRO CON(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000764068842 1079305213 /nfs/dbraw/zinc/30/52/13/1079305213.db2.gz NTBBGUMGLJSEHV-VQIMIIECSA-N 1 0 424.567 0.967 20 0 HCADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000764095388 1079307574 /nfs/dbraw/zinc/30/75/74/1079307574.db2.gz WMUBQEDHPCRBHD-JTQLQIEISA-N 1 0 420.894 0.444 20 0 HCADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000764095391 1079307611 /nfs/dbraw/zinc/30/76/11/1079307611.db2.gz WMUBQEDHPCRBHD-SNVBAGLBSA-N 1 0 420.894 0.444 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000764140982 1079311468 /nfs/dbraw/zinc/31/14/68/1079311468.db2.gz SMCZTLWBVLLUSP-HNNXBMFYSA-N 1 0 424.523 0.502 20 0 HCADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000764140983 1079311421 /nfs/dbraw/zinc/31/14/21/1079311421.db2.gz SMCZTLWBVLLUSP-OAHLLOKOSA-N 1 0 424.523 0.502 20 0 HCADRO COC(=O)CN1CCN(c2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000764158039 1079313021 /nfs/dbraw/zinc/31/30/21/1079313021.db2.gz XICJFQNPPMAJJO-IBGZPJMESA-N 1 0 401.511 0.310 20 0 HCADRO COC(=O)CN1CCN(c2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000764158042 1079312882 /nfs/dbraw/zinc/31/28/82/1079312882.db2.gz XICJFQNPPMAJJO-LJQANCHMSA-N 1 0 401.511 0.310 20 0 HCADRO Cc1nc(N2CCN3C(=O)OCC[C@@H]3C2)cc(N2CCN3C(=O)OCC[C@H]3C2)[nH+]1 ZINC000764179702 1079314644 /nfs/dbraw/zinc/31/46/44/1079314644.db2.gz NJDJLBXEWHCMKM-GASCZTMLSA-N 1 0 402.455 0.847 20 0 HCADRO Cc1nc(N2CCN3C(=O)OCC[C@H]3C2)cc(N2CCN3C(=O)OCC[C@H]3C2)[nH+]1 ZINC000764179708 1079314616 /nfs/dbraw/zinc/31/46/16/1079314616.db2.gz NJDJLBXEWHCMKM-GJZGRUSLSA-N 1 0 402.455 0.847 20 0 HCADRO Cc1nc(N2CCN3C(=O)OCC[C@@H]3C2)cc(N2CCN3C(=O)OCC[C@@H]3C2)[nH+]1 ZINC000764179713 1079315140 /nfs/dbraw/zinc/31/51/40/1079315140.db2.gz NJDJLBXEWHCMKM-HUUCEWRRSA-N 1 0 402.455 0.847 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)NCCNS(=O)(=O)Cc2ccccc2)CCCO1 ZINC000764185313 1079315829 /nfs/dbraw/zinc/31/58/29/1079315829.db2.gz BCZOSNQJUGRFFI-KRWDZBQOSA-N 1 0 412.556 0.906 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=O)NCCNS(=O)(=O)Cc2ccccc2)CCCO1 ZINC000764185504 1079315910 /nfs/dbraw/zinc/31/59/10/1079315910.db2.gz BCZOSNQJUGRFFI-QGZVFWFLSA-N 1 0 412.556 0.906 20 0 HCADRO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000764224107 1079320383 /nfs/dbraw/zinc/32/03/83/1079320383.db2.gz CLESCQUXFUOLFV-CYBMUJFWSA-N 1 0 424.523 0.909 20 0 HCADRO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000764224110 1079320321 /nfs/dbraw/zinc/32/03/21/1079320321.db2.gz CLESCQUXFUOLFV-ZDUSSCGKSA-N 1 0 424.523 0.909 20 0 HCADRO CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000764231245 1079321878 /nfs/dbraw/zinc/32/18/78/1079321878.db2.gz AECQOLNKWVEOFX-UHFFFAOYSA-N 1 0 420.514 0.765 20 0 HCADRO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000764235472 1079321777 /nfs/dbraw/zinc/32/17/77/1079321777.db2.gz PZSIDGIUXYNDBW-UHFFFAOYSA-N 1 0 424.523 0.909 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC2)C1 ZINC000764275839 1079324033 /nfs/dbraw/zinc/32/40/33/1079324033.db2.gz NCJMOVHMCMWCFL-GFCCVEGCSA-N 1 0 418.922 0.979 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC2)C1 ZINC000764275842 1079324126 /nfs/dbraw/zinc/32/41/26/1079324126.db2.gz NCJMOVHMCMWCFL-LBPRGKRZSA-N 1 0 418.922 0.979 20 0 HCADRO C[N@@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C[C@@H](O)C1CC1 ZINC000764282068 1079324444 /nfs/dbraw/zinc/32/44/44/1079324444.db2.gz DFYCEHZRKVQXNB-AVIKPIRVSA-N 1 0 404.492 0.937 20 0 HCADRO C[N@@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C[C@H](O)C1CC1 ZINC000764282069 1079324517 /nfs/dbraw/zinc/32/45/17/1079324517.db2.gz DFYCEHZRKVQXNB-HVVQPJKBSA-N 1 0 404.492 0.937 20 0 HCADRO C[N@@H+](CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C[C@@H](O)C1CC1 ZINC000764282070 1079324535 /nfs/dbraw/zinc/32/45/35/1079324535.db2.gz DFYCEHZRKVQXNB-INQNZLQJSA-N 1 0 404.492 0.937 20 0 HCADRO C[N@@H+](CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C[C@H](O)C1CC1 ZINC000764282071 1079324405 /nfs/dbraw/zinc/32/44/05/1079324405.db2.gz DFYCEHZRKVQXNB-WNLSXJKCSA-N 1 0 404.492 0.937 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)cc2)CC1 ZINC000764292280 1079326616 /nfs/dbraw/zinc/32/66/16/1079326616.db2.gz GLIJQDLHGSTGQP-KRWDZBQOSA-N 1 0 401.467 0.430 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)cc2)CC1 ZINC000764292283 1079326553 /nfs/dbraw/zinc/32/65/53/1079326553.db2.gz GLIJQDLHGSTGQP-QGZVFWFLSA-N 1 0 401.467 0.430 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)cc2)CC1 ZINC000764293259 1079326997 /nfs/dbraw/zinc/32/69/97/1079326997.db2.gz ASMRMQZTCRPIJQ-GOSISDBHSA-N 1 0 415.494 0.426 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)cc2)CC1 ZINC000764293260 1079326878 /nfs/dbraw/zinc/32/68/78/1079326878.db2.gz ASMRMQZTCRPIJQ-SFHVURJKSA-N 1 0 415.494 0.426 20 0 HCADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000764293335 1079326911 /nfs/dbraw/zinc/32/69/11/1079326911.db2.gz BROXRCLHANHMHD-KRWDZBQOSA-N 1 0 418.519 0.879 20 0 HCADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000764293338 1079326962 /nfs/dbraw/zinc/32/69/62/1079326962.db2.gz BROXRCLHANHMHD-QGZVFWFLSA-N 1 0 418.519 0.879 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000764294466 1079327330 /nfs/dbraw/zinc/32/73/30/1079327330.db2.gz IHEWXCZFMIGSBS-HNNXBMFYSA-N 1 0 403.439 0.178 20 0 HCADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000764294468 1079327419 /nfs/dbraw/zinc/32/74/19/1079327419.db2.gz IHEWXCZFMIGSBS-OAHLLOKOSA-N 1 0 403.439 0.178 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)c(C)c2)CC1 ZINC000764296403 1079328881 /nfs/dbraw/zinc/32/88/81/1079328881.db2.gz RBMUOKMEJWPUHN-KRWDZBQOSA-N 1 0 415.494 0.738 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)c(C)c2)CC1 ZINC000764296406 1079328953 /nfs/dbraw/zinc/32/89/53/1079328953.db2.gz RBMUOKMEJWPUHN-QGZVFWFLSA-N 1 0 415.494 0.738 20 0 HCADRO O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000764296722 1079328511 /nfs/dbraw/zinc/32/85/11/1079328511.db2.gz TWACPQOKNWGZBJ-HNNXBMFYSA-N 1 0 404.492 0.837 20 0 HCADRO O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000764296723 1079328660 /nfs/dbraw/zinc/32/86/60/1079328660.db2.gz TWACPQOKNWGZBJ-OAHLLOKOSA-N 1 0 404.492 0.837 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1Cl ZINC000764296814 1079328651 /nfs/dbraw/zinc/32/86/51/1079328651.db2.gz KESZGRNKXYQLCX-CYBMUJFWSA-N 1 0 410.858 0.882 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1Cl ZINC000764296815 1079328525 /nfs/dbraw/zinc/32/85/25/1079328525.db2.gz KESZGRNKXYQLCX-ZDUSSCGKSA-N 1 0 410.858 0.882 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)cc2)CC1 ZINC000764296903 1079328171 /nfs/dbraw/zinc/32/81/71/1079328171.db2.gz LINLEIGNQSCAQE-KRWDZBQOSA-N 1 0 401.467 0.430 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)cc2)CC1 ZINC000764296906 1079328121 /nfs/dbraw/zinc/32/81/21/1079328121.db2.gz LINLEIGNQSCAQE-QGZVFWFLSA-N 1 0 401.467 0.430 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)c2)CC1 ZINC000764298722 1079331101 /nfs/dbraw/zinc/33/11/01/1079331101.db2.gz SXDQSISKCFBHLF-KRWDZBQOSA-N 1 0 401.467 0.036 20 0 HCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)c2)CC1 ZINC000764298725 1079331085 /nfs/dbraw/zinc/33/10/85/1079331085.db2.gz SXDQSISKCFBHLF-QGZVFWFLSA-N 1 0 401.467 0.036 20 0 HCADRO CN(c1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1)C1CC[NH+](C)CC1 ZINC000764299091 1079331127 /nfs/dbraw/zinc/33/11/27/1079331127.db2.gz UHHAYPMSHPXORC-GOSISDBHSA-N 1 0 415.494 0.819 20 0 HCADRO CN(c1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1)C1CC[NH+](C)CC1 ZINC000764299092 1079331159 /nfs/dbraw/zinc/33/11/59/1079331159.db2.gz UHHAYPMSHPXORC-SFHVURJKSA-N 1 0 415.494 0.819 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)CCCO1 ZINC000764415887 1079339255 /nfs/dbraw/zinc/33/92/55/1079339255.db2.gz DIEFVOUVBGTCPQ-INIZCTEOSA-N 1 0 404.577 0.296 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)CCCO1 ZINC000764415890 1079339114 /nfs/dbraw/zinc/33/91/14/1079339114.db2.gz DIEFVOUVBGTCPQ-MRXNPFEDSA-N 1 0 404.577 0.296 20 0 HCADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCN3C(=O)OCC[C@H]3C2)CC1 ZINC000764424358 1079338517 /nfs/dbraw/zinc/33/85/17/1079338517.db2.gz JPEBHWWRAXHIAT-INIZCTEOSA-N 1 0 409.531 0.849 20 0 HCADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCN3C(=O)OCC[C@@H]3C2)CC1 ZINC000764424359 1079338661 /nfs/dbraw/zinc/33/86/61/1079338661.db2.gz JPEBHWWRAXHIAT-MRXNPFEDSA-N 1 0 409.531 0.849 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H](CO)Cc2ccc(O)cc2)CC1 ZINC000764431057 1079339720 /nfs/dbraw/zinc/33/97/20/1079339720.db2.gz VKWXPVRDBZGONU-KRWDZBQOSA-N 1 0 412.490 0.802 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000764442476 1079342741 /nfs/dbraw/zinc/34/27/41/1079342741.db2.gz XYONELDPGCIBRM-HNNXBMFYSA-N 1 0 408.524 0.413 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000764442478 1079342764 /nfs/dbraw/zinc/34/27/64/1079342764.db2.gz XYONELDPGCIBRM-OAHLLOKOSA-N 1 0 408.524 0.413 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000764442570 1079342634 /nfs/dbraw/zinc/34/26/34/1079342634.db2.gz YFKAMJFDFWQFEM-GOSISDBHSA-N 1 0 422.551 0.803 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000764442572 1079342780 /nfs/dbraw/zinc/34/27/80/1079342780.db2.gz YFKAMJFDFWQFEM-SFHVURJKSA-N 1 0 422.551 0.803 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H](CCO)C2CCOCC2)CC1 ZINC000764442756 1079342311 /nfs/dbraw/zinc/34/23/11/1079342311.db2.gz ZIRLWSYJDAZRHX-KRWDZBQOSA-N 1 0 404.511 0.671 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H](CCO)C2CCOCC2)CC1 ZINC000764442761 1079342336 /nfs/dbraw/zinc/34/23/36/1079342336.db2.gz ZIRLWSYJDAZRHX-QGZVFWFLSA-N 1 0 404.511 0.671 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764445530 1079342721 /nfs/dbraw/zinc/34/27/21/1079342721.db2.gz CGUFCXFONHKPHF-IKGGRYGDSA-N 1 0 415.604 0.795 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764445544 1079343340 /nfs/dbraw/zinc/34/33/40/1079343340.db2.gz CGUFCXFONHKPHF-IXDOHACOSA-N 1 0 415.604 0.795 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764445545 1079343194 /nfs/dbraw/zinc/34/31/94/1079343194.db2.gz CGUFCXFONHKPHF-ULQDDVLXSA-N 1 0 415.604 0.795 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764445546 1079343152 /nfs/dbraw/zinc/34/31/52/1079343152.db2.gz CGUFCXFONHKPHF-YESZJQIVSA-N 1 0 415.604 0.795 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000764449257 1079343314 /nfs/dbraw/zinc/34/33/14/1079343314.db2.gz RWCVFGDDKPWKFH-GOSISDBHSA-N 1 0 422.551 0.803 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000764449259 1079343260 /nfs/dbraw/zinc/34/32/60/1079343260.db2.gz RWCVFGDDKPWKFH-SFHVURJKSA-N 1 0 422.551 0.803 20 0 HCADRO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(C)(C)S(C)(=O)=O ZINC000764453296 1079345011 /nfs/dbraw/zinc/34/50/11/1079345011.db2.gz YZOXMDVNYBRNKI-UHFFFAOYSA-N 1 0 419.569 0.138 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000764458881 1079345741 /nfs/dbraw/zinc/34/57/41/1079345741.db2.gz BXMPZLJQYRGUGB-KRWDZBQOSA-N 1 0 415.604 0.797 20 0 HCADRO O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000764463403 1079346208 /nfs/dbraw/zinc/34/62/08/1079346208.db2.gz OOGZMTCGUZQBQR-CABCVRRESA-N 1 0 405.499 0.653 20 0 HCADRO O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000764463409 1079346221 /nfs/dbraw/zinc/34/62/21/1079346221.db2.gz OOGZMTCGUZQBQR-GJZGRUSLSA-N 1 0 405.499 0.653 20 0 HCADRO O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000764463415 1079346136 /nfs/dbraw/zinc/34/61/36/1079346136.db2.gz OOGZMTCGUZQBQR-HUUCEWRRSA-N 1 0 405.499 0.653 20 0 HCADRO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000764463420 1079346159 /nfs/dbraw/zinc/34/61/59/1079346159.db2.gz OOGZMTCGUZQBQR-LSDHHAIUSA-N 1 0 405.499 0.653 20 0 HCADRO CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)n2)CC1 ZINC000764464329 1079347434 /nfs/dbraw/zinc/34/74/34/1079347434.db2.gz BWQJXFQHQAORKX-AWEZNQCLSA-N 1 0 420.518 0.190 20 0 HCADRO CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)n2)CC1 ZINC000764464337 1079347500 /nfs/dbraw/zinc/34/75/00/1079347500.db2.gz BWQJXFQHQAORKX-CQSZACIVSA-N 1 0 420.518 0.190 20 0 HCADRO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000764465865 1079347608 /nfs/dbraw/zinc/34/76/08/1079347608.db2.gz IUIGUJANBMKFIN-CEXWTWQISA-N 1 0 409.575 0.633 20 0 HCADRO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000764465868 1079347550 /nfs/dbraw/zinc/34/75/50/1079347550.db2.gz IUIGUJANBMKFIN-FHWLQOOXSA-N 1 0 409.575 0.633 20 0 HCADRO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000764465871 1079347576 /nfs/dbraw/zinc/34/75/76/1079347576.db2.gz IUIGUJANBMKFIN-GBESFXJTSA-N 1 0 409.575 0.633 20 0 HCADRO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000764465875 1079347523 /nfs/dbraw/zinc/34/75/23/1079347523.db2.gz IUIGUJANBMKFIN-QYZOEREBSA-N 1 0 409.575 0.633 20 0 HCADRO C[C@@H]1CN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764468403 1079346728 /nfs/dbraw/zinc/34/67/28/1079346728.db2.gz IOWZWYDTDNDYFI-APWZRJJASA-N 1 0 408.568 0.986 20 0 HCADRO C[C@H]1CN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764468404 1079346711 /nfs/dbraw/zinc/34/67/11/1079346711.db2.gz IOWZWYDTDNDYFI-LPHOPBHVSA-N 1 0 408.568 0.986 20 0 HCADRO C[C@H]1CN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764468405 1079346654 /nfs/dbraw/zinc/34/66/54/1079346654.db2.gz IOWZWYDTDNDYFI-QFBILLFUSA-N 1 0 408.568 0.986 20 0 HCADRO C[C@@H]1CN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764468406 1079346566 /nfs/dbraw/zinc/34/65/66/1079346566.db2.gz IOWZWYDTDNDYFI-VQIMIIECSA-N 1 0 408.568 0.986 20 0 HCADRO CCOC(=O)N1CCC(NC(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000764468690 1079346671 /nfs/dbraw/zinc/34/66/71/1079346671.db2.gz KPKWFLNNZFLKJY-HKUYNNGSSA-N 1 0 409.575 0.681 20 0 HCADRO CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000764468691 1079346574 /nfs/dbraw/zinc/34/65/74/1079346574.db2.gz KPKWFLNNZFLKJY-IEBWSBKVSA-N 1 0 409.575 0.681 20 0 HCADRO CCOC(=O)N1CCC(NC(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000764468692 1079346645 /nfs/dbraw/zinc/34/66/45/1079346645.db2.gz KPKWFLNNZFLKJY-MJGOQNOKSA-N 1 0 409.575 0.681 20 0 HCADRO CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000764468693 1079346704 /nfs/dbraw/zinc/34/67/04/1079346704.db2.gz KPKWFLNNZFLKJY-PKOBYXMFSA-N 1 0 409.575 0.681 20 0 HCADRO C[C@H]([NH2+]CCCN1CCOCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764479584 1079347419 /nfs/dbraw/zinc/34/74/19/1079347419.db2.gz WISRJAWSHQWLCD-HNNXBMFYSA-N 1 0 419.569 0.785 20 0 HCADRO C[C@@H]([NH2+]CCCN1CCOCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764479589 1079347905 /nfs/dbraw/zinc/34/79/05/1079347905.db2.gz WISRJAWSHQWLCD-OAHLLOKOSA-N 1 0 419.569 0.785 20 0 HCADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000764510758 1079349595 /nfs/dbraw/zinc/34/95/95/1079349595.db2.gz DYTRLVRLKXQTEL-LLVKDONJSA-N 1 0 405.879 0.921 20 0 HCADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000764510762 1079349649 /nfs/dbraw/zinc/34/96/49/1079349649.db2.gz DYTRLVRLKXQTEL-NSHDSACASA-N 1 0 405.879 0.921 20 0 HCADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000764517576 1079350455 /nfs/dbraw/zinc/35/04/55/1079350455.db2.gz YURHJPQQRRRQJY-UHFFFAOYSA-N 1 0 406.911 0.882 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000764523394 1079350846 /nfs/dbraw/zinc/35/08/46/1079350846.db2.gz CICLKEYOABEOJC-HNNXBMFYSA-N 1 0 414.601 0.394 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000764523405 1079350884 /nfs/dbraw/zinc/35/08/84/1079350884.db2.gz CICLKEYOABEOJC-OAHLLOKOSA-N 1 0 414.601 0.394 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCCN(C(=S)NCC[NH+](C)C)CC2)cc1 ZINC000764524423 1079350857 /nfs/dbraw/zinc/35/08/57/1079350857.db2.gz GLWGQLHRELGYJS-UHFFFAOYSA-N 1 0 400.570 0.828 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)cn1C ZINC000764526086 1079350764 /nfs/dbraw/zinc/35/07/64/1079350764.db2.gz LCRYQOMGUHQPFR-UHFFFAOYSA-N 1 0 416.617 0.497 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)cn1C ZINC000764527996 1079350741 /nfs/dbraw/zinc/35/07/41/1079350741.db2.gz VULOVFCEBNSCMO-UHFFFAOYSA-N 1 0 400.574 0.004 20 0 HCADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000764552937 1079352019 /nfs/dbraw/zinc/35/20/19/1079352019.db2.gz FDFBPBQIHWEMJD-FXUDXRNXSA-N 1 0 424.510 0.831 20 0 HCADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000764552983 1079352139 /nfs/dbraw/zinc/35/21/39/1079352139.db2.gz FDFBPBQIHWEMJD-QKPAOTATSA-N 1 0 424.510 0.831 20 0 HCADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000764552985 1079352042 /nfs/dbraw/zinc/35/20/42/1079352042.db2.gz FDFBPBQIHWEMJD-QXSJWSMHSA-N 1 0 424.510 0.831 20 0 HCADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000764552987 1079352154 /nfs/dbraw/zinc/35/21/54/1079352154.db2.gz FDFBPBQIHWEMJD-UGUYLWEFSA-N 1 0 424.510 0.831 20 0 HCADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000764557521 1079352544 /nfs/dbraw/zinc/35/25/44/1079352544.db2.gz UGKNNCGIQJYLEG-BARDWOONSA-N 1 0 410.483 0.441 20 0 HCADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000764557522 1079352467 /nfs/dbraw/zinc/35/24/67/1079352467.db2.gz UGKNNCGIQJYLEG-CBBWQLFWSA-N 1 0 410.483 0.441 20 0 HCADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000764557523 1079352626 /nfs/dbraw/zinc/35/26/26/1079352626.db2.gz UGKNNCGIQJYLEG-LXTVHRRPSA-N 1 0 410.483 0.441 20 0 HCADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000764557524 1079352581 /nfs/dbraw/zinc/35/25/81/1079352581.db2.gz UGKNNCGIQJYLEG-QPSCCSFWSA-N 1 0 410.483 0.441 20 0 HCADRO CC(C)(C)NC(=O)CN1CCN(C(=O)CONC(=[NH2+])COc2ccc(F)cc2)CC1 ZINC000764570194 1079352566 /nfs/dbraw/zinc/35/25/66/1079352566.db2.gz XGTRMFPAADCPKI-UHFFFAOYSA-N 1 0 423.489 0.762 20 0 HCADRO COCCN(C(=O)CONC(=[NH2+])COc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000764570802 1079352944 /nfs/dbraw/zinc/35/29/44/1079352944.db2.gz LXBHQTVAWBNKAL-AWEZNQCLSA-N 1 0 417.459 0.365 20 0 HCADRO COCCN(C(=O)CONC(=[NH2+])COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000764570842 1079352896 /nfs/dbraw/zinc/35/28/96/1079352896.db2.gz LXBHQTVAWBNKAL-CQSZACIVSA-N 1 0 417.459 0.365 20 0 HCADRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764583317 1079355132 /nfs/dbraw/zinc/35/51/32/1079355132.db2.gz KEGOWERDFBIWGU-GFCCVEGCSA-N 1 0 403.526 0.589 20 0 HCADRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764583319 1079355239 /nfs/dbraw/zinc/35/52/39/1079355239.db2.gz KEGOWERDFBIWGU-LBPRGKRZSA-N 1 0 403.526 0.589 20 0 HCADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000764585118 1079355708 /nfs/dbraw/zinc/35/57/08/1079355708.db2.gz SGQHEXASJVWLRE-KRWDZBQOSA-N 1 0 419.592 0.401 20 0 HCADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000764585123 1079355642 /nfs/dbraw/zinc/35/56/42/1079355642.db2.gz SGQHEXASJVWLRE-QGZVFWFLSA-N 1 0 419.592 0.401 20 0 HCADRO CC(C)C(=O)NCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764588976 1079356264 /nfs/dbraw/zinc/35/62/64/1079356264.db2.gz GPAJHHKXJICPJX-CYBMUJFWSA-N 1 0 405.542 0.835 20 0 HCADRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764588977 1079356102 /nfs/dbraw/zinc/35/61/02/1079356102.db2.gz GPAJHHKXJICPJX-ZDUSSCGKSA-N 1 0 405.542 0.835 20 0 HCADRO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCCc1nnc2ccccn21 ZINC000764605119 1079357071 /nfs/dbraw/zinc/35/70/71/1079357071.db2.gz DJTRIHRXRBMOKD-UHFFFAOYSA-N 1 0 407.478 0.912 20 0 HCADRO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000764606362 1079357127 /nfs/dbraw/zinc/35/71/27/1079357127.db2.gz FNFVQGGHPKWGLV-INIZCTEOSA-N 1 0 414.549 0.828 20 0 HCADRO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000764606367 1079357046 /nfs/dbraw/zinc/35/70/46/1079357046.db2.gz FNFVQGGHPKWGLV-MRXNPFEDSA-N 1 0 414.549 0.828 20 0 HCADRO COCC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000764681484 1079362816 /nfs/dbraw/zinc/36/28/16/1079362816.db2.gz BVOSBEINFRYCIK-HNNXBMFYSA-N 1 0 406.483 0.827 20 0 HCADRO COCC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000764681485 1079362722 /nfs/dbraw/zinc/36/27/22/1079362722.db2.gz BVOSBEINFRYCIK-OAHLLOKOSA-N 1 0 406.483 0.827 20 0 HCADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CCS(=O)(=O)C1 ZINC000764682572 1079362743 /nfs/dbraw/zinc/36/27/43/1079362743.db2.gz CRARFXBQQIVXGV-INIZCTEOSA-N 1 0 422.551 0.660 20 0 HCADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CCS(=O)(=O)C1 ZINC000764682576 1079362707 /nfs/dbraw/zinc/36/27/07/1079362707.db2.gz CRARFXBQQIVXGV-MRXNPFEDSA-N 1 0 422.551 0.660 20 0 HCADRO CON(C)C(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000764685181 1079363067 /nfs/dbraw/zinc/36/30/67/1079363067.db2.gz HRROSTWBKCIHQC-HNNXBMFYSA-N 1 0 406.483 0.876 20 0 HCADRO CON(C)C(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000764685183 1079363440 /nfs/dbraw/zinc/36/34/40/1079363440.db2.gz HRROSTWBKCIHQC-OAHLLOKOSA-N 1 0 406.483 0.876 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CCCO1 ZINC000764685237 1079363537 /nfs/dbraw/zinc/36/35/37/1079363537.db2.gz IECYJHZWHJOAKF-INIZCTEOSA-N 1 0 417.510 0.178 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CCCO1 ZINC000764685239 1079363508 /nfs/dbraw/zinc/36/35/08/1079363508.db2.gz IECYJHZWHJOAKF-MRXNPFEDSA-N 1 0 417.510 0.178 20 0 HCADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)CCCO1 ZINC000764690245 1079364301 /nfs/dbraw/zinc/36/43/01/1079364301.db2.gz XYJJMGWNJBVZOR-INIZCTEOSA-N 1 0 400.483 0.882 20 0 HCADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)CCCO1 ZINC000764690266 1079364351 /nfs/dbraw/zinc/36/43/51/1079364351.db2.gz XYJJMGWNJBVZOR-MRXNPFEDSA-N 1 0 400.483 0.882 20 0 HCADRO COc1cc(N2CCN(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)ncn1 ZINC000764725968 1079366106 /nfs/dbraw/zinc/36/61/06/1079366106.db2.gz ASOKGDPRUMPCSY-KRWDZBQOSA-N 1 0 404.515 0.960 20 0 HCADRO COc1cc(N2CCN(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)ncn1 ZINC000764725969 1079365982 /nfs/dbraw/zinc/36/59/82/1079365982.db2.gz ASOKGDPRUMPCSY-QGZVFWFLSA-N 1 0 404.515 0.960 20 0 HCADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000764838175 1079377212 /nfs/dbraw/zinc/37/72/12/1079377212.db2.gz CGWZUWIWERLOHF-KRWDZBQOSA-N 1 0 401.577 0.917 20 0 HCADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000764838187 1079377146 /nfs/dbraw/zinc/37/71/46/1079377146.db2.gz CGWZUWIWERLOHF-QGZVFWFLSA-N 1 0 401.577 0.917 20 0 HCADRO CC(C)NC(=O)CC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764845761 1079376757 /nfs/dbraw/zinc/37/67/57/1079376757.db2.gz TYXLMBMMAGPTDB-CYBMUJFWSA-N 1 0 405.542 0.978 20 0 HCADRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764845764 1079376871 /nfs/dbraw/zinc/37/68/71/1079376871.db2.gz TYXLMBMMAGPTDB-ZDUSSCGKSA-N 1 0 405.542 0.978 20 0 HCADRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764847172 1079376913 /nfs/dbraw/zinc/37/69/13/1079376913.db2.gz DOBCTUWEFGHJBA-DOMZBBRYSA-N 1 0 403.526 0.732 20 0 HCADRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764847173 1079376734 /nfs/dbraw/zinc/37/67/34/1079376734.db2.gz DOBCTUWEFGHJBA-IUODEOHRSA-N 1 0 403.526 0.732 20 0 HCADRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764847175 1079376927 /nfs/dbraw/zinc/37/69/27/1079376927.db2.gz DOBCTUWEFGHJBA-SWLSCSKDSA-N 1 0 403.526 0.732 20 0 HCADRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764847176 1079376828 /nfs/dbraw/zinc/37/68/28/1079376828.db2.gz DOBCTUWEFGHJBA-WFASDCNBSA-N 1 0 403.526 0.732 20 0 HCADRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764949857 1079383016 /nfs/dbraw/zinc/38/30/16/1079383016.db2.gz OBYSXBNVJNYDNK-CABCVRRESA-N 1 0 419.569 0.784 20 0 HCADRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764949858 1079382983 /nfs/dbraw/zinc/38/29/83/1079382983.db2.gz OBYSXBNVJNYDNK-GJZGRUSLSA-N 1 0 419.569 0.784 20 0 HCADRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764949860 1079382969 /nfs/dbraw/zinc/38/29/69/1079382969.db2.gz OBYSXBNVJNYDNK-HUUCEWRRSA-N 1 0 419.569 0.784 20 0 HCADRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764949861 1079383079 /nfs/dbraw/zinc/38/30/79/1079383079.db2.gz OBYSXBNVJNYDNK-LSDHHAIUSA-N 1 0 419.569 0.784 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)CC1 ZINC000764972004 1079383744 /nfs/dbraw/zinc/38/37/44/1079383744.db2.gz SSAUDNGLZHFIHG-NRFANRHFSA-N 1 0 423.558 0.698 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)CC1 ZINC000764972005 1079383704 /nfs/dbraw/zinc/38/37/04/1079383704.db2.gz SSAUDNGLZHFIHG-OAQYLSRUSA-N 1 0 423.558 0.698 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(Cn2nc(-c3cnccn3)n(C)c2=S)CC1 ZINC000764972861 1079383577 /nfs/dbraw/zinc/38/35/77/1079383577.db2.gz ZVAFFHIYKSULEG-UHFFFAOYSA-N 1 0 404.544 0.852 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(CN3C(=O)N[C@]4(CC(C)(C)OC4(C)C)C3=O)CC2)C1 ZINC000765009506 1079386052 /nfs/dbraw/zinc/38/60/52/1079386052.db2.gz FIXBUUOTOKUAHY-HRAATJIYSA-N 1 0 407.559 0.924 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(CN3C(=O)N[C@@]4(CC(C)(C)OC4(C)C)C3=O)CC2)C1 ZINC000765009507 1079385897 /nfs/dbraw/zinc/38/58/97/1079385897.db2.gz FIXBUUOTOKUAHY-IERDGZPVSA-N 1 0 407.559 0.924 20 0 HCADRO C[N@@H+]1CCC[C@@H](N2CCN(CN3C(=O)N[C@]4(CC(C)(C)OC4(C)C)C3=O)CC2)C1 ZINC000765009509 1079385869 /nfs/dbraw/zinc/38/58/69/1079385869.db2.gz FIXBUUOTOKUAHY-IIBYNOLFSA-N 1 0 407.559 0.924 20 0 HCADRO C[N@@H+]1CCC[C@H](N2CCN(CN3C(=O)N[C@@]4(CC(C)(C)OC4(C)C)C3=O)CC2)C1 ZINC000765009510 1079385840 /nfs/dbraw/zinc/38/58/40/1079385840.db2.gz FIXBUUOTOKUAHY-KKSFZXQISA-N 1 0 407.559 0.924 20 0 HCADRO CC1(C)C[C@@]2(NC(=O)N(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)C(C)(C)O1 ZINC000765010317 1079386179 /nfs/dbraw/zinc/38/61/79/1079386179.db2.gz LWWQJBCQCMUSNR-NRFANRHFSA-N 1 0 421.542 0.452 20 0 HCADRO CC1(C)C[C@]2(NC(=O)N(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)C(C)(C)O1 ZINC000765010318 1079386366 /nfs/dbraw/zinc/38/63/66/1079386366.db2.gz LWWQJBCQCMUSNR-OAQYLSRUSA-N 1 0 421.542 0.452 20 0 HCADRO Cn1c(-c2cnccn2)nn(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1=S ZINC000765011284 1079385568 /nfs/dbraw/zinc/38/55/68/1079385568.db2.gz JPSGUMRMHSKFFA-UHFFFAOYSA-N 1 0 402.528 0.606 20 0 HCADRO CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000765054686 1079386997 /nfs/dbraw/zinc/38/69/97/1079386997.db2.gz MBLMFBMUJFXPIF-UHFFFAOYSA-N 1 0 417.506 0.738 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCN(CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)CC1 ZINC000765072207 1079387919 /nfs/dbraw/zinc/38/79/19/1079387919.db2.gz BVVZTYFWWQHLFH-FQEVSTJZSA-N 1 0 409.531 0.308 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCN(CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)CC1 ZINC000765072208 1079387967 /nfs/dbraw/zinc/38/79/67/1079387967.db2.gz BVVZTYFWWQHLFH-HXUWFJFHSA-N 1 0 409.531 0.308 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)c2cccc3nonc32)c1 ZINC000765179590 1079395571 /nfs/dbraw/zinc/39/55/71/1079395571.db2.gz CWPRNMZJPJEKPV-UHFFFAOYSA-N 1 0 403.464 0.993 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000765215035 1079399064 /nfs/dbraw/zinc/39/90/64/1079399064.db2.gz MEISHDSWOKUWRT-KRWDZBQOSA-N 1 0 422.507 0.570 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000765215036 1079399030 /nfs/dbraw/zinc/39/90/30/1079399030.db2.gz MEISHDSWOKUWRT-QGZVFWFLSA-N 1 0 422.507 0.570 20 0 HCADRO CN1CCCc2ccc(S(=O)(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cc21 ZINC000765215383 1079399054 /nfs/dbraw/zinc/39/90/54/1079399054.db2.gz MZVRWKVOUFYDLE-GOSISDBHSA-N 1 0 406.552 0.996 20 0 HCADRO CN1CCCc2ccc(S(=O)(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cc21 ZINC000765215386 1079398840 /nfs/dbraw/zinc/39/88/40/1079398840.db2.gz MZVRWKVOUFYDLE-SFHVURJKSA-N 1 0 406.552 0.996 20 0 HCADRO CCOC(=O)N1CCC(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000765216947 1079398956 /nfs/dbraw/zinc/39/89/56/1079398956.db2.gz ZQYHOXCRFYAMNB-INIZCTEOSA-N 1 0 416.544 0.176 20 0 HCADRO CCOC(=O)N1CCC(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000765216967 1079399191 /nfs/dbraw/zinc/39/91/91/1079399191.db2.gz ZQYHOXCRFYAMNB-MRXNPFEDSA-N 1 0 416.544 0.176 20 0 HCADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000765220380 1079399570 /nfs/dbraw/zinc/39/95/70/1079399570.db2.gz AUZUAGPXVMPKDQ-HNNXBMFYSA-N 1 0 413.471 0.539 20 0 HCADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000765220381 1079399721 /nfs/dbraw/zinc/39/97/21/1079399721.db2.gz AUZUAGPXVMPKDQ-OAHLLOKOSA-N 1 0 413.471 0.539 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1F ZINC000765220880 1079399514 /nfs/dbraw/zinc/39/95/14/1079399514.db2.gz GBZFJJSSLVALDE-INIZCTEOSA-N 1 0 413.471 0.539 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1F ZINC000765220882 1079399837 /nfs/dbraw/zinc/39/98/37/1079399837.db2.gz GBZFJJSSLVALDE-MRXNPFEDSA-N 1 0 413.471 0.539 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000765220904 1079399614 /nfs/dbraw/zinc/39/96/14/1079399614.db2.gz GNIUKXCRQDVVFN-CYBMUJFWSA-N 1 0 411.915 0.915 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000765220905 1079399803 /nfs/dbraw/zinc/39/98/03/1079399803.db2.gz GNIUKXCRQDVVFN-ZDUSSCGKSA-N 1 0 411.915 0.915 20 0 HCADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000765221432 1079399977 /nfs/dbraw/zinc/39/99/77/1079399977.db2.gz NLGXFXQSZFNSFM-HKMNZKMDSA-N 1 0 421.519 0.800 20 0 HCADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000765221436 1079400051 /nfs/dbraw/zinc/40/00/51/1079400051.db2.gz NLGXFXQSZFNSFM-IEODJVTJSA-N 1 0 421.519 0.800 20 0 HCADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000765221437 1079399631 /nfs/dbraw/zinc/39/96/31/1079399631.db2.gz NLGXFXQSZFNSFM-RUJXFNLJSA-N 1 0 421.519 0.800 20 0 HCADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000765221438 1079399693 /nfs/dbraw/zinc/39/96/93/1079399693.db2.gz NLGXFXQSZFNSFM-VOCYLRNQSA-N 1 0 421.519 0.800 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000765222547 1079400122 /nfs/dbraw/zinc/40/01/22/1079400122.db2.gz TXFLIEIBAIGYLA-LLVKDONJSA-N 1 0 417.944 0.976 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000765222551 1079399949 /nfs/dbraw/zinc/39/99/49/1079399949.db2.gz TXFLIEIBAIGYLA-NSHDSACASA-N 1 0 417.944 0.976 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 ZINC000765223225 1079401543 /nfs/dbraw/zinc/40/15/43/1079401543.db2.gz YUGWCYYDCHFTIA-INIZCTEOSA-N 1 0 405.476 0.720 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 ZINC000765223227 1079401309 /nfs/dbraw/zinc/40/13/09/1079401309.db2.gz YUGWCYYDCHFTIA-MRXNPFEDSA-N 1 0 405.476 0.720 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000765246276 1079404784 /nfs/dbraw/zinc/40/47/84/1079404784.db2.gz KONFFQDDPLLUPW-AEFFLSMTSA-N 1 0 410.540 0.468 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000765246277 1079404634 /nfs/dbraw/zinc/40/46/34/1079404634.db2.gz KONFFQDDPLLUPW-FUHWJXTLSA-N 1 0 410.540 0.468 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000765246278 1079405170 /nfs/dbraw/zinc/40/51/70/1079405170.db2.gz KONFFQDDPLLUPW-SJLPKXTDSA-N 1 0 410.540 0.468 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000765246552 1079405077 /nfs/dbraw/zinc/40/50/77/1079405077.db2.gz KONFFQDDPLLUPW-WMZOPIPTSA-N 1 0 410.540 0.468 20 0 HCADRO CS(=O)(=O)Cc1noc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000765247195 1079405042 /nfs/dbraw/zinc/40/50/42/1079405042.db2.gz NHXJOUIXIPUOHB-UHFFFAOYSA-N 1 0 401.489 0.580 20 0 HCADRO CCCNC(=O)CC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765256354 1079408895 /nfs/dbraw/zinc/40/88/95/1079408895.db2.gz VJEGEPWYRKTGHQ-CYBMUJFWSA-N 1 0 405.542 0.979 20 0 HCADRO CCCNC(=O)CC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765256355 1079409083 /nfs/dbraw/zinc/40/90/83/1079409083.db2.gz VJEGEPWYRKTGHQ-ZDUSSCGKSA-N 1 0 405.542 0.979 20 0 HCADRO O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765256738 1079408734 /nfs/dbraw/zinc/40/87/34/1079408734.db2.gz TYYJQQKNVLICKI-MSOLQXFVSA-N 1 0 408.524 0.889 20 0 HCADRO O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765256741 1079408547 /nfs/dbraw/zinc/40/85/47/1079408547.db2.gz TYYJQQKNVLICKI-QZTJIDSGSA-N 1 0 408.524 0.889 20 0 HCADRO O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765256742 1079408616 /nfs/dbraw/zinc/40/86/16/1079408616.db2.gz TYYJQQKNVLICKI-ROUUACIJSA-N 1 0 408.524 0.889 20 0 HCADRO O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765256743 1079409124 /nfs/dbraw/zinc/40/91/24/1079409124.db2.gz TYYJQQKNVLICKI-ZWKOTPCHSA-N 1 0 408.524 0.889 20 0 HCADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)C1=O ZINC000765261283 1079407076 /nfs/dbraw/zinc/40/70/76/1079407076.db2.gz RMPOYKDFEFXCIU-IIMJZQEZSA-N 1 0 420.535 0.966 20 0 HCADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)C1=O ZINC000765261288 1079407496 /nfs/dbraw/zinc/40/74/96/1079407496.db2.gz RMPOYKDFEFXCIU-KKVAFCGZSA-N 1 0 420.535 0.966 20 0 HCADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)C1=O ZINC000765261293 1079407398 /nfs/dbraw/zinc/40/73/98/1079407398.db2.gz RMPOYKDFEFXCIU-NBQZKYEYSA-N 1 0 420.535 0.966 20 0 HCADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)C1=O ZINC000765261297 1079407160 /nfs/dbraw/zinc/40/71/60/1079407160.db2.gz RMPOYKDFEFXCIU-UVFQYZLESA-N 1 0 420.535 0.966 20 0 HCADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000765276505 1079411261 /nfs/dbraw/zinc/41/12/61/1079411261.db2.gz ASYXQVTXDNCGGK-UHFFFAOYSA-N 1 0 410.584 0.492 20 0 HCADRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765291719 1079412871 /nfs/dbraw/zinc/41/28/71/1079412871.db2.gz RUPCGHQAJFVVRU-PBHICJAKSA-N 1 0 419.569 0.520 20 0 HCADRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765291721 1079412905 /nfs/dbraw/zinc/41/29/05/1079412905.db2.gz RUPCGHQAJFVVRU-RHSMWYFYSA-N 1 0 419.569 0.520 20 0 HCADRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765291722 1079412729 /nfs/dbraw/zinc/41/27/29/1079412729.db2.gz RUPCGHQAJFVVRU-WMLDXEAASA-N 1 0 419.569 0.520 20 0 HCADRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765291725 1079412606 /nfs/dbraw/zinc/41/26/06/1079412606.db2.gz RUPCGHQAJFVVRU-YOEHRIQHSA-N 1 0 419.569 0.520 20 0 HCADRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765293075 1079416457 /nfs/dbraw/zinc/41/64/57/1079416457.db2.gz ZLAGDKVXYBQZNI-BXKDBHETSA-N 1 0 404.432 0.986 20 0 HCADRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765293076 1079416406 /nfs/dbraw/zinc/41/64/06/1079416406.db2.gz ZLAGDKVXYBQZNI-CABZTGNLSA-N 1 0 404.432 0.986 20 0 HCADRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765293077 1079416130 /nfs/dbraw/zinc/41/61/30/1079416130.db2.gz ZLAGDKVXYBQZNI-JOYOIKCWSA-N 1 0 404.432 0.986 20 0 HCADRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765293078 1079416538 /nfs/dbraw/zinc/41/65/38/1079416538.db2.gz ZLAGDKVXYBQZNI-SKDRFNHKSA-N 1 0 404.432 0.986 20 0 HCADRO CCN(CC)C(=O)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765333325 1079419071 /nfs/dbraw/zinc/41/90/71/1079419071.db2.gz KZUXYOQLERYNPD-CYBMUJFWSA-N 1 0 405.542 0.931 20 0 HCADRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765333329 1079419222 /nfs/dbraw/zinc/41/92/22/1079419222.db2.gz KZUXYOQLERYNPD-ZDUSSCGKSA-N 1 0 405.542 0.931 20 0 HCADRO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765337415 1079419884 /nfs/dbraw/zinc/41/98/84/1079419884.db2.gz PKGGLKOLZLCUKN-MSOLQXFVSA-N 1 0 401.511 0.490 20 0 HCADRO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765337418 1079419967 /nfs/dbraw/zinc/41/99/67/1079419967.db2.gz PKGGLKOLZLCUKN-QZTJIDSGSA-N 1 0 401.511 0.490 20 0 HCADRO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765337420 1079419930 /nfs/dbraw/zinc/41/99/30/1079419930.db2.gz PKGGLKOLZLCUKN-ROUUACIJSA-N 1 0 401.511 0.490 20 0 HCADRO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765337423 1079419828 /nfs/dbraw/zinc/41/98/28/1079419828.db2.gz PKGGLKOLZLCUKN-ZWKOTPCHSA-N 1 0 401.511 0.490 20 0 HCADRO C[C@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765345809 1079420453 /nfs/dbraw/zinc/42/04/53/1079420453.db2.gz DKVYMDWWIJNYRT-DOTOQJQBSA-N 1 0 420.535 0.316 20 0 HCADRO C[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765345818 1079420543 /nfs/dbraw/zinc/42/05/43/1079420543.db2.gz DKVYMDWWIJNYRT-NVXWUHKLSA-N 1 0 420.535 0.316 20 0 HCADRO C[C@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765345826 1079420480 /nfs/dbraw/zinc/42/04/80/1079420480.db2.gz DKVYMDWWIJNYRT-RDJZCZTQSA-N 1 0 420.535 0.316 20 0 HCADRO C[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765345831 1079420469 /nfs/dbraw/zinc/42/04/69/1079420469.db2.gz DKVYMDWWIJNYRT-WBVHZDCISA-N 1 0 420.535 0.316 20 0 HCADRO C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765347210 1079421023 /nfs/dbraw/zinc/42/10/23/1079421023.db2.gz JLQOAUPLDDDQPN-AOIWGVFYSA-N 1 0 412.538 0.809 20 0 HCADRO C[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765347217 1079421096 /nfs/dbraw/zinc/42/10/96/1079421096.db2.gz JLQOAUPLDDDQPN-JENIJYKNSA-N 1 0 412.538 0.809 20 0 HCADRO C[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765347219 1079421103 /nfs/dbraw/zinc/42/11/03/1079421103.db2.gz JLQOAUPLDDDQPN-LNLFQRSKSA-N 1 0 412.538 0.809 20 0 HCADRO C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765347222 1079421003 /nfs/dbraw/zinc/42/10/03/1079421003.db2.gz JLQOAUPLDDDQPN-ZIFCJYIRSA-N 1 0 412.538 0.809 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000765348583 1079421039 /nfs/dbraw/zinc/42/10/39/1079421039.db2.gz NDTIYMLQVWDIEV-APWZRJJASA-N 1 0 424.567 0.967 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000765348586 1079421141 /nfs/dbraw/zinc/42/11/41/1079421141.db2.gz NDTIYMLQVWDIEV-LPHOPBHVSA-N 1 0 424.567 0.967 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000765348593 1079421110 /nfs/dbraw/zinc/42/11/10/1079421110.db2.gz NDTIYMLQVWDIEV-QFBILLFUSA-N 1 0 424.567 0.967 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000765348598 1079421204 /nfs/dbraw/zinc/42/12/04/1079421204.db2.gz NDTIYMLQVWDIEV-VQIMIIECSA-N 1 0 424.567 0.967 20 0 HCADRO C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765353879 1079422903 /nfs/dbraw/zinc/42/29/03/1079422903.db2.gz SLWYFUYPYMIIIM-AHRSYUTCSA-N 1 0 412.538 0.591 20 0 HCADRO C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765353884 1079423632 /nfs/dbraw/zinc/42/36/32/1079423632.db2.gz SLWYFUYPYMIIIM-LSTHTHJFSA-N 1 0 412.538 0.591 20 0 HCADRO C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765353888 1079423303 /nfs/dbraw/zinc/42/33/03/1079423303.db2.gz SLWYFUYPYMIIIM-NSISKUIASA-N 1 0 412.538 0.591 20 0 HCADRO C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765353892 1079423496 /nfs/dbraw/zinc/42/34/96/1079423496.db2.gz SLWYFUYPYMIIIM-UXPWSPDFSA-N 1 0 412.538 0.591 20 0 HCADRO C[C@@H]1CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765355753 1079421592 /nfs/dbraw/zinc/42/15/92/1079421592.db2.gz YMKRGCHZVJANRF-HFTRVMKXSA-N 1 0 407.540 0.201 20 0 HCADRO C[C@@H]1CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765355755 1079421803 /nfs/dbraw/zinc/42/18/03/1079421803.db2.gz YMKRGCHZVJANRF-KYJSFNMBSA-N 1 0 407.540 0.201 20 0 HCADRO C[C@@H]1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765355757 1079421788 /nfs/dbraw/zinc/42/17/88/1079421788.db2.gz YMKRGCHZVJANRF-QGPMSJSTSA-N 1 0 407.540 0.201 20 0 HCADRO C[C@@H]1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765355760 1079421876 /nfs/dbraw/zinc/42/18/76/1079421876.db2.gz YMKRGCHZVJANRF-UWWQBHOKSA-N 1 0 407.540 0.201 20 0 HCADRO CN(C)c1ccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)cc1 ZINC000765364272 1079422483 /nfs/dbraw/zinc/42/24/83/1079422483.db2.gz DHYNPIRCAGOZAE-GOSISDBHSA-N 1 0 400.483 0.983 20 0 HCADRO CN(C)c1ccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)cc1 ZINC000765364273 1079422288 /nfs/dbraw/zinc/42/22/88/1079422288.db2.gz DHYNPIRCAGOZAE-SFHVURJKSA-N 1 0 400.483 0.983 20 0 HCADRO Cc1ccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)c(N(C)C)n1 ZINC000765364884 1079421816 /nfs/dbraw/zinc/42/18/16/1079421816.db2.gz GRRDJVYAHRUREC-INIZCTEOSA-N 1 0 415.498 0.686 20 0 HCADRO Cc1ccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)c(N(C)C)n1 ZINC000765364886 1079421757 /nfs/dbraw/zinc/42/17/57/1079421757.db2.gz GRRDJVYAHRUREC-MRXNPFEDSA-N 1 0 415.498 0.686 20 0 HCADRO COc1ccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)c(Cl)n1 ZINC000765366445 1079422419 /nfs/dbraw/zinc/42/24/19/1079422419.db2.gz OJRAUGGMIPJATE-CYBMUJFWSA-N 1 0 422.873 0.974 20 0 HCADRO COc1ccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)c(Cl)n1 ZINC000765366465 1079422199 /nfs/dbraw/zinc/42/21/99/1079422199.db2.gz OJRAUGGMIPJATE-ZDUSSCGKSA-N 1 0 422.873 0.974 20 0 HCADRO CC(C)Cc1cc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)n(C)n1 ZINC000765367120 1079422474 /nfs/dbraw/zinc/42/24/74/1079422474.db2.gz QPUNLUBQIPVJMO-KRWDZBQOSA-N 1 0 417.514 0.849 20 0 HCADRO CC(C)Cc1cc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)n(C)n1 ZINC000765367124 1079422396 /nfs/dbraw/zinc/42/23/96/1079422396.db2.gz QPUNLUBQIPVJMO-QGZVFWFLSA-N 1 0 417.514 0.849 20 0 HCADRO O=C(Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000765367485 1079422264 /nfs/dbraw/zinc/42/22/64/1079422264.db2.gz SGYXHKCPUMETPR-GOSISDBHSA-N 1 0 424.465 0.498 20 0 HCADRO O=C(Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000765367493 1079422372 /nfs/dbraw/zinc/42/23/72/1079422372.db2.gz SGYXHKCPUMETPR-SFHVURJKSA-N 1 0 424.465 0.498 20 0 HCADRO O=C(Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000765367696 1079422235 /nfs/dbraw/zinc/42/22/35/1079422235.db2.gz UDUMFVGYJYPJLJ-KRWDZBQOSA-N 1 0 424.465 0.498 20 0 HCADRO O=C(Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000765367707 1079422501 /nfs/dbraw/zinc/42/25/01/1079422501.db2.gz UDUMFVGYJYPJLJ-QGZVFWFLSA-N 1 0 424.465 0.498 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000765380103 1079424226 /nfs/dbraw/zinc/42/42/26/1079424226.db2.gz JHKIITALRMIOMF-DLBZAZTESA-N 1 0 424.542 0.953 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000765380106 1079424271 /nfs/dbraw/zinc/42/42/71/1079424271.db2.gz JHKIITALRMIOMF-IAGOWNOFSA-N 1 0 424.542 0.953 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000765380110 1079424115 /nfs/dbraw/zinc/42/41/15/1079424115.db2.gz JHKIITALRMIOMF-IRXDYDNUSA-N 1 0 424.542 0.953 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000765380113 1079423950 /nfs/dbraw/zinc/42/39/50/1079423950.db2.gz JHKIITALRMIOMF-SJORKVTESA-N 1 0 424.542 0.953 20 0 HCADRO C[NH+](C)C1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000765381387 1079425104 /nfs/dbraw/zinc/42/51/04/1079425104.db2.gz NEVGQAZIJVFYOM-KRWDZBQOSA-N 1 0 409.284 0.989 20 0 HCADRO C[NH+](C)C1CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000765381392 1079424845 /nfs/dbraw/zinc/42/48/45/1079424845.db2.gz NEVGQAZIJVFYOM-QGZVFWFLSA-N 1 0 409.284 0.989 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000765382133 1079424296 /nfs/dbraw/zinc/42/42/96/1079424296.db2.gz RSFRVTSSHTYUHY-CVEARBPZSA-N 1 0 410.515 0.563 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000765382136 1079424183 /nfs/dbraw/zinc/42/41/83/1079424183.db2.gz RSFRVTSSHTYUHY-HOTGVXAUSA-N 1 0 410.515 0.563 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000765382139 1079424321 /nfs/dbraw/zinc/42/43/21/1079424321.db2.gz RSFRVTSSHTYUHY-HZPDHXFCSA-N 1 0 410.515 0.563 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000765382142 1079424982 /nfs/dbraw/zinc/42/49/82/1079424982.db2.gz RSFRVTSSHTYUHY-JKSUJKDBSA-N 1 0 410.515 0.563 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765382786 1079425023 /nfs/dbraw/zinc/42/50/23/1079425023.db2.gz VLCLGAWCZKZSMA-CVEARBPZSA-N 1 0 412.531 0.681 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765382789 1079424872 /nfs/dbraw/zinc/42/48/72/1079424872.db2.gz VLCLGAWCZKZSMA-HOTGVXAUSA-N 1 0 412.531 0.681 20 0 HCADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765382790 1079424939 /nfs/dbraw/zinc/42/49/39/1079424939.db2.gz VLCLGAWCZKZSMA-HZPDHXFCSA-N 1 0 412.531 0.681 20 0 HCADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765382791 1079425075 /nfs/dbraw/zinc/42/50/75/1079425075.db2.gz VLCLGAWCZKZSMA-JKSUJKDBSA-N 1 0 412.531 0.681 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000765385201 1079426941 /nfs/dbraw/zinc/42/69/41/1079426941.db2.gz NUGLHRGNHLHJMU-CVEARBPZSA-N 1 0 412.531 0.716 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000765385203 1079427693 /nfs/dbraw/zinc/42/76/93/1079427693.db2.gz NUGLHRGNHLHJMU-HOTGVXAUSA-N 1 0 412.531 0.716 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000765385209 1079427725 /nfs/dbraw/zinc/42/77/25/1079427725.db2.gz NUGLHRGNHLHJMU-HZPDHXFCSA-N 1 0 412.531 0.716 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000765385212 1079427614 /nfs/dbraw/zinc/42/76/14/1079427614.db2.gz NUGLHRGNHLHJMU-JKSUJKDBSA-N 1 0 412.531 0.716 20 0 HCADRO COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CC([NH+](C)C)C2)c1 ZINC000765387859 1079427506 /nfs/dbraw/zinc/42/75/06/1079427506.db2.gz FOBRUELCAVLLRJ-UHFFFAOYSA-N 1 0 420.329 0.760 20 0 HCADRO Cn1c(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000765388168 1079427676 /nfs/dbraw/zinc/42/76/76/1079427676.db2.gz DZPKGAIHAMWWPK-UHFFFAOYSA-N 1 0 400.439 0.163 20 0 HCADRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765405225 1079431037 /nfs/dbraw/zinc/43/10/37/1079431037.db2.gz XHOKTENDTZMLPP-CYBMUJFWSA-N 1 0 405.542 0.931 20 0 HCADRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765405228 1079430940 /nfs/dbraw/zinc/43/09/40/1079430940.db2.gz XHOKTENDTZMLPP-ZDUSSCGKSA-N 1 0 405.542 0.931 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000765417015 1079432258 /nfs/dbraw/zinc/43/22/58/1079432258.db2.gz QEGDHGWEYPOPJI-INIZCTEOSA-N 1 0 410.515 0.389 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000765417017 1079432586 /nfs/dbraw/zinc/43/25/86/1079432586.db2.gz QEGDHGWEYPOPJI-MRXNPFEDSA-N 1 0 410.515 0.389 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000765417442 1079433408 /nfs/dbraw/zinc/43/34/08/1079433408.db2.gz UTUPOZGHOYXQGQ-KRWDZBQOSA-N 1 0 424.542 0.779 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000765417443 1079433168 /nfs/dbraw/zinc/43/31/68/1079433168.db2.gz UTUPOZGHOYXQGQ-QGZVFWFLSA-N 1 0 424.542 0.779 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000765419194 1079433381 /nfs/dbraw/zinc/43/33/81/1079433381.db2.gz GCPPHJQLIMWQAR-INIZCTEOSA-N 1 0 412.531 0.635 20 0 HCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000765419195 1079432902 /nfs/dbraw/zinc/43/29/02/1079432902.db2.gz GCPPHJQLIMWQAR-MRXNPFEDSA-N 1 0 412.531 0.635 20 0 HCADRO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765434123 1079435889 /nfs/dbraw/zinc/43/58/89/1079435889.db2.gz QBVWVCVSVDJKPL-CHWSQXEVSA-N 1 0 401.514 0.743 20 0 HCADRO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765434124 1079435820 /nfs/dbraw/zinc/43/58/20/1079435820.db2.gz QBVWVCVSVDJKPL-OLZOCXBDSA-N 1 0 401.514 0.743 20 0 HCADRO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765434125 1079435722 /nfs/dbraw/zinc/43/57/22/1079435722.db2.gz QBVWVCVSVDJKPL-QWHCGFSZSA-N 1 0 401.514 0.743 20 0 HCADRO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765434126 1079435780 /nfs/dbraw/zinc/43/57/80/1079435780.db2.gz QBVWVCVSVDJKPL-STQMWFEESA-N 1 0 401.514 0.743 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000765471084 1079442331 /nfs/dbraw/zinc/44/23/31/1079442331.db2.gz WBWSXQIJTCIPEV-INIZCTEOSA-N 1 0 412.531 0.681 20 0 HCADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000765471085 1079442160 /nfs/dbraw/zinc/44/21/60/1079442160.db2.gz WBWSXQIJTCIPEV-MRXNPFEDSA-N 1 0 412.531 0.681 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C3=NN(CCO)C(=O)CC3)CC2)c1 ZINC000765471219 1079441529 /nfs/dbraw/zinc/44/15/29/1079441529.db2.gz BDKNUPIRBPKWIB-UHFFFAOYSA-N 1 0 401.511 0.594 20 0 HCADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C3=NN(CCO)C(=O)CC3)CC2)c1 ZINC000765471309 1079442225 /nfs/dbraw/zinc/44/22/25/1079442225.db2.gz MHBXBVVDKBVUHZ-UHFFFAOYSA-N 1 0 415.538 0.984 20 0 HCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C1=NN(CCO)C(=O)CC1 ZINC000765471476 1079443732 /nfs/dbraw/zinc/44/37/32/1079443732.db2.gz VTTXDGDOHWDFTI-UHFFFAOYSA-N 1 0 401.511 0.281 20 0 HCADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C3=NN(CCO)C(=O)CC3)cc2)C[C@H](C)O1 ZINC000765471508 1079443760 /nfs/dbraw/zinc/44/37/60/1079443760.db2.gz YGZIZVMXUFFPCJ-HOTGVXAUSA-N 1 0 402.495 0.883 20 0 HCADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3=NN(CCO)C(=O)CC3)cc2)C[C@@H](C)O1 ZINC000765471509 1079443922 /nfs/dbraw/zinc/44/39/22/1079443922.db2.gz YGZIZVMXUFFPCJ-HZPDHXFCSA-N 1 0 402.495 0.883 20 0 HCADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C3=NN(CCO)C(=O)CC3)cc2)C[C@H](C)O1 ZINC000765471510 1079443884 /nfs/dbraw/zinc/44/38/84/1079443884.db2.gz YGZIZVMXUFFPCJ-IYBDPMFKSA-N 1 0 402.495 0.883 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3=NN(CCO)C(=O)CC3)cc2)CC1 ZINC000765471812 1079443838 /nfs/dbraw/zinc/44/38/38/1079443838.db2.gz FZZWJDAMJCCBFL-UHFFFAOYSA-N 1 0 401.511 0.411 20 0 HCADRO C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000765484768 1079444617 /nfs/dbraw/zinc/44/46/17/1079444617.db2.gz DOYJXPZTIMDMFU-AWEZNQCLSA-N 1 0 405.474 0.725 20 0 HCADRO C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000765484769 1079444826 /nfs/dbraw/zinc/44/48/26/1079444826.db2.gz DOYJXPZTIMDMFU-CQSZACIVSA-N 1 0 405.474 0.725 20 0 HCADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C3=NN(CCO)C(=O)CC3)cc2)CC1 ZINC000765489403 1079447990 /nfs/dbraw/zinc/44/79/90/1079447990.db2.gz LVYKOEWFSBBMEX-UHFFFAOYSA-N 1 0 403.483 0.222 20 0 HCADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1=NN(CCO)C(=O)CC1 ZINC000765495723 1079448195 /nfs/dbraw/zinc/44/81/95/1079448195.db2.gz VDNRPOJTKLEUDP-UHFFFAOYSA-N 1 0 403.483 0.746 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000765529813 1079463024 /nfs/dbraw/zinc/46/30/24/1079463024.db2.gz QBMNTAJHPFQODE-INIZCTEOSA-N 1 0 412.531 0.539 20 0 HCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000765529816 1079463329 /nfs/dbraw/zinc/46/33/29/1079463329.db2.gz QBMNTAJHPFQODE-MRXNPFEDSA-N 1 0 412.531 0.539 20 0 HCADRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765529953 1079462588 /nfs/dbraw/zinc/46/25/88/1079462588.db2.gz XYPFMMXTJJUINR-CXAGYDPISA-N 1 0 420.553 0.850 20 0 HCADRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765529960 1079462531 /nfs/dbraw/zinc/46/25/31/1079462531.db2.gz XYPFMMXTJJUINR-DYVFJYSZSA-N 1 0 420.553 0.850 20 0 HCADRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765529963 1079462564 /nfs/dbraw/zinc/46/25/64/1079462564.db2.gz XYPFMMXTJJUINR-GUYCJALGSA-N 1 0 420.553 0.850 20 0 HCADRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765529966 1079462610 /nfs/dbraw/zinc/46/26/10/1079462610.db2.gz XYPFMMXTJJUINR-SUMWQHHRSA-N 1 0 420.553 0.850 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(CONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)cc1 ZINC000765531279 1079465468 /nfs/dbraw/zinc/46/54/68/1079465468.db2.gz NXLQRRUIRQLVOK-UHFFFAOYSA-N 1 0 421.523 0.933 20 0 HCADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)c3cccnc32)CC1 ZINC000765551124 1079475773 /nfs/dbraw/zinc/47/57/73/1079475773.db2.gz CJKPNVFDIFZBBK-INIZCTEOSA-N 1 0 403.508 0.625 20 0 HCADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)c3cccnc32)CC1 ZINC000765551130 1079476425 /nfs/dbraw/zinc/47/64/25/1079476425.db2.gz CJKPNVFDIFZBBK-MRXNPFEDSA-N 1 0 403.508 0.625 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000765568658 1079488737 /nfs/dbraw/zinc/48/87/37/1079488737.db2.gz VTYSBUQPSVFILH-DLBZAZTESA-N 1 0 412.531 0.145 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000765568667 1079488703 /nfs/dbraw/zinc/48/87/03/1079488703.db2.gz VTYSBUQPSVFILH-IAGOWNOFSA-N 1 0 412.531 0.145 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000765568668 1079488590 /nfs/dbraw/zinc/48/85/90/1079488590.db2.gz VTYSBUQPSVFILH-IRXDYDNUSA-N 1 0 412.531 0.145 20 0 HCADRO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000765568669 1079488857 /nfs/dbraw/zinc/48/88/57/1079488857.db2.gz VTYSBUQPSVFILH-SJORKVTESA-N 1 0 412.531 0.145 20 0 HCADRO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000765621439 1079528169 /nfs/dbraw/zinc/52/81/69/1079528169.db2.gz TXSLNJSOFZBVJR-INIZCTEOSA-N 1 0 410.540 0.629 20 0 HCADRO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000765621440 1079528324 /nfs/dbraw/zinc/52/83/24/1079528324.db2.gz TXSLNJSOFZBVJR-MRXNPFEDSA-N 1 0 410.540 0.629 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cn1 ZINC000765646448 1079536264 /nfs/dbraw/zinc/53/62/64/1079536264.db2.gz ZKLADQJMMUZDRL-HNNXBMFYSA-N 1 0 424.502 0.135 20 0 HCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cn1 ZINC000765646462 1079537156 /nfs/dbraw/zinc/53/71/56/1079537156.db2.gz ZKLADQJMMUZDRL-OAHLLOKOSA-N 1 0 424.502 0.135 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000765649170 1079538010 /nfs/dbraw/zinc/53/80/10/1079538010.db2.gz NBWJTKVMBZXJDA-INIZCTEOSA-N 1 0 424.571 0.774 20 0 HCADRO COCCN(C)CC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765650225 1079534891 /nfs/dbraw/zinc/53/48/91/1079534891.db2.gz USUMQTYJCAKYIZ-AWEZNQCLSA-N 1 0 407.558 0.641 20 0 HCADRO COCCN(C)CC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765650228 1079534949 /nfs/dbraw/zinc/53/49/49/1079534949.db2.gz USUMQTYJCAKYIZ-CQSZACIVSA-N 1 0 407.558 0.641 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCS(=O)(=O)CC3CC3)cn2)CC1 ZINC000765658504 1079545244 /nfs/dbraw/zinc/54/52/44/1079545244.db2.gz QIDYZLLJHLFVNG-UHFFFAOYSA-N 1 0 409.556 0.848 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000765659874 1079544976 /nfs/dbraw/zinc/54/49/76/1079544976.db2.gz WWJYXNFJDPCZBM-INIZCTEOSA-N 1 0 424.571 0.774 20 0 HCADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCCS(=O)(=O)CC1CC1 ZINC000765665179 1079544331 /nfs/dbraw/zinc/54/43/31/1079544331.db2.gz ORWMPEUMYJKETA-UHFFFAOYSA-N 1 0 408.568 0.928 20 0 HCADRO CCS(=O)(=O)CC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765685835 1079549509 /nfs/dbraw/zinc/54/95/09/1079549509.db2.gz ZZNMUPDAHRFSCR-GFCCVEGCSA-N 1 0 412.555 0.498 20 0 HCADRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765685836 1079549371 /nfs/dbraw/zinc/54/93/71/1079549371.db2.gz ZZNMUPDAHRFSCR-LBPRGKRZSA-N 1 0 412.555 0.498 20 0 HCADRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765692509 1079550828 /nfs/dbraw/zinc/55/08/28/1079550828.db2.gz HEYRMSHADVDDRQ-CYBMUJFWSA-N 1 0 419.525 0.905 20 0 HCADRO C[C@H]([NH2+]CCCN1CCOC1=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765692510 1079552862 /nfs/dbraw/zinc/55/28/62/1079552862.db2.gz HEYRMSHADVDDRQ-ZDUSSCGKSA-N 1 0 419.525 0.905 20 0 HCADRO COC(=O)c1cc(C(=O)OC)n(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000765699101 1079555362 /nfs/dbraw/zinc/55/53/62/1079555362.db2.gz QGZIASFQMDLMND-XYPWUTKMSA-N 1 0 405.499 0.657 20 0 HCADRO COC(=O)c1cc(C(=O)OC)n(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1 ZINC000765701129 1079553605 /nfs/dbraw/zinc/55/36/05/1079553605.db2.gz WYYURFDTSJDLJY-UHFFFAOYSA-N 1 0 407.515 0.904 20 0 HCADRO COC(=O)c1cc(C(=O)OC)n(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000765701213 1079553386 /nfs/dbraw/zinc/55/33/86/1079553386.db2.gz BVLOFNKQTXIFMJ-UHFFFAOYSA-N 1 0 407.515 0.904 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000765703250 1079556499 /nfs/dbraw/zinc/55/64/99/1079556499.db2.gz HBCZXVDXJZCZCY-INIZCTEOSA-N 1 0 424.571 0.774 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CSc2cccc[n+]2[O-])c1 ZINC000765723214 1079564336 /nfs/dbraw/zinc/56/43/36/1079564336.db2.gz HSKTULWRYZRULQ-UHFFFAOYSA-N 1 0 410.521 0.891 20 0 HCADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CNC(=O)OC(C)(C)C)c1 ZINC000765726734 1079565779 /nfs/dbraw/zinc/56/57/79/1079565779.db2.gz WASZYXGFZZJHKJ-UHFFFAOYSA-N 1 0 400.501 0.990 20 0 HCADRO COC(=O)N(C)CCCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000765726837 1079565949 /nfs/dbraw/zinc/56/59/49/1079565949.db2.gz BGISTVRYILIJTK-UHFFFAOYSA-N 1 0 400.501 0.943 20 0 HCADRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765728563 1079568227 /nfs/dbraw/zinc/56/82/27/1079568227.db2.gz LMKTWUWGHXYRHL-CABCVRRESA-N 1 0 419.569 0.784 20 0 HCADRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765728565 1079568062 /nfs/dbraw/zinc/56/80/62/1079568062.db2.gz LMKTWUWGHXYRHL-GJZGRUSLSA-N 1 0 419.569 0.784 20 0 HCADRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765728566 1079568150 /nfs/dbraw/zinc/56/81/50/1079568150.db2.gz LMKTWUWGHXYRHL-HUUCEWRRSA-N 1 0 419.569 0.784 20 0 HCADRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765728568 1079568082 /nfs/dbraw/zinc/56/80/82/1079568082.db2.gz LMKTWUWGHXYRHL-LSDHHAIUSA-N 1 0 419.569 0.784 20 0 HCADRO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000765730596 1079571002 /nfs/dbraw/zinc/57/10/02/1079571002.db2.gz NYHXEEDOGSBSEZ-UHFFFAOYSA-N 1 0 423.495 0.607 20 0 HCADRO COC(=O)N[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)C(C)C ZINC000765730691 1079572600 /nfs/dbraw/zinc/57/26/00/1079572600.db2.gz PHBYZBZZFQWPES-HNNXBMFYSA-N 1 0 400.501 0.846 20 0 HCADRO CC[C@@H](C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)[NH+](C)C ZINC000765732453 1079571443 /nfs/dbraw/zinc/57/14/43/1079571443.db2.gz USEJYCKDTYSPRM-HNNXBMFYSA-N 1 0 418.560 0.420 20 0 HCADRO CC[C@H](C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)[NH+](C)C ZINC000765732455 1079572264 /nfs/dbraw/zinc/57/22/64/1079572264.db2.gz USEJYCKDTYSPRM-OAHLLOKOSA-N 1 0 418.560 0.420 20 0 HCADRO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCCS(=O)(=O)CC1CC1 ZINC000765733832 1079576195 /nfs/dbraw/zinc/57/61/95/1079576195.db2.gz ZWQQWZFJYZMYBR-UHFFFAOYSA-N 1 0 409.556 0.718 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000765752210 1079587085 /nfs/dbraw/zinc/58/70/85/1079587085.db2.gz PFSWEEMCESTVHY-KRWDZBQOSA-N 1 0 415.604 0.986 20 0 HCADRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765755757 1079721250 /nfs/dbraw/zinc/72/12/50/1079721250.db2.gz YUTPKZNEKADXDY-GFCCVEGCSA-N 1 0 412.555 0.498 20 0 HCADRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765755758 1079720793 /nfs/dbraw/zinc/72/07/93/1079720793.db2.gz YUTPKZNEKADXDY-LBPRGKRZSA-N 1 0 412.555 0.498 20 0 HCADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000765755833 1079714095 /nfs/dbraw/zinc/71/40/95/1079714095.db2.gz AJRVAOIOBTUFEB-AZUAARDMSA-N 1 0 410.584 0.443 20 0 HCADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000765755836 1079713831 /nfs/dbraw/zinc/71/38/31/1079713831.db2.gz AJRVAOIOBTUFEB-ICSRJNTNSA-N 1 0 410.584 0.443 20 0 HCADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000765755838 1079713918 /nfs/dbraw/zinc/71/39/18/1079713918.db2.gz AJRVAOIOBTUFEB-QUCCMNQESA-N 1 0 410.584 0.443 20 0 HCADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000765755840 1079713963 /nfs/dbraw/zinc/71/39/63/1079713963.db2.gz AJRVAOIOBTUFEB-UYAOXDASSA-N 1 0 410.584 0.443 20 0 HCADRO CN(C)c1ccc(N2CCC([NH2+]CCN3CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000765758852 1079777703 /nfs/dbraw/zinc/77/77/03/1079777703.db2.gz MAINCSREBJOTFC-UHFFFAOYSA-N 1 0 409.600 0.888 20 0 HCADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000765758881 1079777402 /nfs/dbraw/zinc/77/74/02/1079777402.db2.gz MNTWUKLOEPUYSR-CYBMUJFWSA-N 1 0 403.936 0.619 20 0 HCADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000765758882 1079777421 /nfs/dbraw/zinc/77/74/21/1079777421.db2.gz MNTWUKLOEPUYSR-ZDUSSCGKSA-N 1 0 403.936 0.619 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000765767964 1079898432 /nfs/dbraw/zinc/89/84/32/1079898432.db2.gz NAMOEVHTCHKWSW-HNNXBMFYSA-N 1 0 417.576 0.370 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000765788072 1080024986 /nfs/dbraw/zinc/02/49/86/1080024986.db2.gz IMYVRRPZMXMXOR-HOCLYGCPSA-N 1 0 402.561 0.928 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000765788073 1080024934 /nfs/dbraw/zinc/02/49/34/1080024934.db2.gz IMYVRRPZMXMXOR-ZBFHGGJFSA-N 1 0 402.561 0.928 20 0 HCADRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765791162 1080025393 /nfs/dbraw/zinc/02/53/93/1080025393.db2.gz YINOTDHDDKDWKW-CABCVRRESA-N 1 0 419.569 0.784 20 0 HCADRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765791163 1080025436 /nfs/dbraw/zinc/02/54/36/1080025436.db2.gz YINOTDHDDKDWKW-GJZGRUSLSA-N 1 0 419.569 0.784 20 0 HCADRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765791164 1080025455 /nfs/dbraw/zinc/02/54/55/1080025455.db2.gz YINOTDHDDKDWKW-HUUCEWRRSA-N 1 0 419.569 0.784 20 0 HCADRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765791165 1080025321 /nfs/dbraw/zinc/02/53/21/1080025321.db2.gz YINOTDHDDKDWKW-LSDHHAIUSA-N 1 0 419.569 0.784 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000765800311 1080035484 /nfs/dbraw/zinc/03/54/84/1080035484.db2.gz ZFROCXISPICECQ-HOCLYGCPSA-N 1 0 401.577 0.596 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000765800312 1080035641 /nfs/dbraw/zinc/03/56/41/1080035641.db2.gz ZFROCXISPICECQ-ZBFHGGJFSA-N 1 0 401.577 0.596 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H](C)[NH+]3CCCCC3)CC2)cn1C ZINC000765828592 1080213416 /nfs/dbraw/zinc/21/34/16/1080213416.db2.gz XWWIGDOEARPHGT-HNNXBMFYSA-N 1 0 412.560 0.619 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](C)[NH+]3CCCCC3)CC2)cn1C ZINC000765828593 1080213157 /nfs/dbraw/zinc/21/31/57/1080213157.db2.gz XWWIGDOEARPHGT-OAHLLOKOSA-N 1 0 412.560 0.619 20 0 HCADRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)C1 ZINC000765859402 1080298403 /nfs/dbraw/zinc/29/84/03/1080298403.db2.gz KIXQCYSXKIYUPS-GDBMZVCRSA-N 1 0 419.569 0.784 20 0 HCADRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)C1 ZINC000765859405 1080298461 /nfs/dbraw/zinc/29/84/61/1080298461.db2.gz KIXQCYSXKIYUPS-GOEBONIOSA-N 1 0 419.569 0.784 20 0 HCADRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)C1 ZINC000765859407 1080298481 /nfs/dbraw/zinc/29/84/81/1080298481.db2.gz KIXQCYSXKIYUPS-HOCLYGCPSA-N 1 0 419.569 0.784 20 0 HCADRO COCCN1CC[C@H]([NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)C1 ZINC000765859414 1080298494 /nfs/dbraw/zinc/29/84/94/1080298494.db2.gz KIXQCYSXKIYUPS-ZBFHGGJFSA-N 1 0 419.569 0.784 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000765871726 1080307728 /nfs/dbraw/zinc/30/77/28/1080307728.db2.gz MXQXCSFQOWKZNS-INIZCTEOSA-N 1 0 402.561 0.882 20 0 HCADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000765871881 1080307820 /nfs/dbraw/zinc/30/78/20/1080307820.db2.gz ONKRJEPBCXGKBG-HNNXBMFYSA-N 1 0 415.560 0.078 20 0 HCADRO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000765884625 1080313741 /nfs/dbraw/zinc/31/37/41/1080313741.db2.gz GQUIKHUGUNQNDQ-INIZCTEOSA-N 1 0 410.490 0.808 20 0 HCADRO COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000765884626 1080313822 /nfs/dbraw/zinc/31/38/22/1080313822.db2.gz GQUIKHUGUNQNDQ-MRXNPFEDSA-N 1 0 410.490 0.808 20 0 HCADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000765884695 1080313936 /nfs/dbraw/zinc/31/39/36/1080313936.db2.gz UISSIYISUJHTJI-AQNXPRMDSA-N 1 0 416.522 0.619 20 0 HCADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000765884698 1080313975 /nfs/dbraw/zinc/31/39/75/1080313975.db2.gz UISSIYISUJHTJI-VAMGGRTRSA-N 1 0 416.522 0.619 20 0 HCADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000765884700 1080313830 /nfs/dbraw/zinc/31/38/30/1080313830.db2.gz UISSIYISUJHTJI-XUVXKRRUSA-N 1 0 416.522 0.619 20 0 HCADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000765884702 1080314423 /nfs/dbraw/zinc/31/44/23/1080314423.db2.gz UISSIYISUJHTJI-ZCNNSNEGSA-N 1 0 416.522 0.619 20 0 HCADRO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000765887664 1080311557 /nfs/dbraw/zinc/31/15/57/1080311557.db2.gz VXWNCKPIRUNLIV-IBGZPJMESA-N 1 0 406.527 0.917 20 0 HCADRO COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000765887665 1080312595 /nfs/dbraw/zinc/31/25/95/1080312595.db2.gz VXWNCKPIRUNLIV-LJQANCHMSA-N 1 0 406.527 0.917 20 0 HCADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1 ZINC000765888898 1080314450 /nfs/dbraw/zinc/31/44/50/1080314450.db2.gz DGPIDRCEJVXTKT-AWEZNQCLSA-N 1 0 403.570 0.754 20 0 HCADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1 ZINC000765888899 1080315170 /nfs/dbraw/zinc/31/51/70/1080315170.db2.gz DGPIDRCEJVXTKT-CQSZACIVSA-N 1 0 403.570 0.754 20 0 HCADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1 ZINC000765889668 1080318945 /nfs/dbraw/zinc/31/89/45/1080318945.db2.gz GIPHLEPMJIKPPO-AWEZNQCLSA-N 1 0 403.570 0.754 20 0 HCADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1 ZINC000765889669 1080319118 /nfs/dbraw/zinc/31/91/18/1080319118.db2.gz GIPHLEPMJIKPPO-CQSZACIVSA-N 1 0 403.570 0.754 20 0 HCADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000765892427 1080315525 /nfs/dbraw/zinc/31/55/25/1080315525.db2.gz GPBGALARFOQZIV-MSOLQXFVSA-N 1 0 401.511 0.798 20 0 HCADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000765892428 1080316522 /nfs/dbraw/zinc/31/65/22/1080316522.db2.gz GPBGALARFOQZIV-QZTJIDSGSA-N 1 0 401.511 0.798 20 0 HCADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000765892430 1080316417 /nfs/dbraw/zinc/31/64/17/1080316417.db2.gz GPBGALARFOQZIV-ROUUACIJSA-N 1 0 401.511 0.798 20 0 HCADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000765892432 1080316447 /nfs/dbraw/zinc/31/64/47/1080316447.db2.gz GPBGALARFOQZIV-ZWKOTPCHSA-N 1 0 401.511 0.798 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000765892603 1080315649 /nfs/dbraw/zinc/31/56/49/1080315649.db2.gz IJJBVPSMOKKFMX-UHFFFAOYSA-N 1 0 401.511 0.358 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H]3C(=O)NC)cc2)CC1 ZINC000765897422 1080321019 /nfs/dbraw/zinc/32/10/19/1080321019.db2.gz NZFJGHBYIRSILM-MSOLQXFVSA-N 1 0 401.511 0.798 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3C(=O)NC)cc2)CC1 ZINC000765897424 1080320887 /nfs/dbraw/zinc/32/08/87/1080320887.db2.gz NZFJGHBYIRSILM-QZTJIDSGSA-N 1 0 401.511 0.798 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C(=O)NC)cc2)CC1 ZINC000765897425 1080321075 /nfs/dbraw/zinc/32/10/75/1080321075.db2.gz NZFJGHBYIRSILM-ROUUACIJSA-N 1 0 401.511 0.798 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C(=O)NC)cc2)CC1 ZINC000765897426 1080321143 /nfs/dbraw/zinc/32/11/43/1080321143.db2.gz NZFJGHBYIRSILM-ZWKOTPCHSA-N 1 0 401.511 0.798 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3(N4CCOCC4)CC3)cc2)CC1 ZINC000765897713 1080320360 /nfs/dbraw/zinc/32/03/60/1080320360.db2.gz SERPJUKGKAFPHO-UHFFFAOYSA-N 1 0 415.538 0.748 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC3(N4CCOCC4)CC3)cc2)CC1 ZINC000765900568 1080323593 /nfs/dbraw/zinc/32/35/93/1080323593.db2.gz ZZIGSUCEVJUWNF-UHFFFAOYSA-N 1 0 415.538 0.748 20 0 HCADRO CN(c1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)cc1)C1CC[NH+](C)CC1 ZINC000765915271 1080381358 /nfs/dbraw/zinc/38/13/58/1080381358.db2.gz SPFTUOHVUMWMKQ-IBGZPJMESA-N 1 0 413.522 0.989 20 0 HCADRO CN(c1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1)C1CC[NH+](C)CC1 ZINC000765915272 1080381314 /nfs/dbraw/zinc/38/13/14/1080381314.db2.gz SPFTUOHVUMWMKQ-LJQANCHMSA-N 1 0 413.522 0.989 20 0 HCADRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765916977 1080387313 /nfs/dbraw/zinc/38/73/13/1080387313.db2.gz PUUIZQNPCJNSFG-PBHICJAKSA-N 1 0 418.585 0.309 20 0 HCADRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765916980 1080387282 /nfs/dbraw/zinc/38/72/82/1080387282.db2.gz PUUIZQNPCJNSFG-RHSMWYFYSA-N 1 0 418.585 0.309 20 0 HCADRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765916983 1080387193 /nfs/dbraw/zinc/38/71/93/1080387193.db2.gz PUUIZQNPCJNSFG-WMLDXEAASA-N 1 0 418.585 0.309 20 0 HCADRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765916986 1080386986 /nfs/dbraw/zinc/38/69/86/1080386986.db2.gz PUUIZQNPCJNSFG-YOEHRIQHSA-N 1 0 418.585 0.309 20 0 HCADRO 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CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C[C@@H]1C ZINC000765931197 1080402062 /nfs/dbraw/zinc/40/20/62/1080402062.db2.gz GGLJLXRXEHKDMZ-WDEREUQCSA-N 1 0 411.304 0.834 20 0 HCADRO CS(=O)(=O)N1CCC([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000765934530 1080409428 /nfs/dbraw/zinc/40/94/28/1080409428.db2.gz GVMVKOHEQPCNOW-UHFFFAOYSA-N 1 0 407.480 0.562 20 0 HCADRO Cn1c2ncn(CC(=O)OC[C@H]3CCC[N@@H+]3Cc3ccco3)c2c(=O)n(C)c1=O ZINC000765968731 1080700517 /nfs/dbraw/zinc/70/05/17/1080700517.db2.gz KYQQYXZVNKKWIN-CYBMUJFWSA-N 1 0 401.423 0.235 20 0 HCADRO Cn1c2ncn(CC(=O)OC[C@@H]3CCC[N@@H+]3Cc3ccco3)c2c(=O)n(C)c1=O ZINC000765968732 1080700306 /nfs/dbraw/zinc/70/03/06/1080700306.db2.gz KYQQYXZVNKKWIN-ZDUSSCGKSA-N 1 0 401.423 0.235 20 0 HCADRO Cn1cnc2c1c(=O)n(CC(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1)c(=O)n2C ZINC000765968762 1080694680 /nfs/dbraw/zinc/69/46/80/1080694680.db2.gz LWOQNEWEHVVHSU-CYBMUJFWSA-N 1 0 401.423 0.235 20 0 HCADRO Cn1cnc2c1c(=O)n(CC(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1)c(=O)n2C 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1080830528 /nfs/dbraw/zinc/83/05/28/1080830528.db2.gz KLVHIVXZVJQMFQ-LSDHHAIUSA-N 1 0 423.491 0.953 20 0 HCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC3(COC(=O)N3)CC2)c1 ZINC000784269491 1075398565 /nfs/dbraw/zinc/39/85/65/1075398565.db2.gz RHDHISFBVUFUKF-UHFFFAOYSA-N 1 0 403.483 0.762 20 0 HCADRO CN(C(=O)C(=O)Nc1ccc(-n2nccn2)nc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000784424101 1077466587 /nfs/dbraw/zinc/46/65/87/1077466587.db2.gz YJQUVFMXYJCNHK-KRWDZBQOSA-N 1 0 412.498 0.228 20 0 HCADRO CN(C(=O)C(=O)Nc1ccc(-n2nccn2)nc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000784424102 1077469517 /nfs/dbraw/zinc/46/95/17/1077469517.db2.gz YJQUVFMXYJCNHK-QGZVFWFLSA-N 1 0 412.498 0.228 20 0 HCADRO CN(C(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000784464077 1077645148 /nfs/dbraw/zinc/64/51/48/1077645148.db2.gz HJGJKGXKEQSPBY-INIZCTEOSA-N 1 0 409.508 0.744 20 0 HCADRO CN(C(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000784464078 1077645331 /nfs/dbraw/zinc/64/53/31/1077645331.db2.gz HJGJKGXKEQSPBY-MRXNPFEDSA-N 1 0 409.508 0.744 20 0 HCADRO Cc1nc(Br)ccc1NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C ZINC000784491993 1077709418 /nfs/dbraw/zinc/70/94/18/1077709418.db2.gz IERDYMVQUXJEBW-UHFFFAOYSA-N 1 0 417.304 0.490 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000785435334 1079499739 /nfs/dbraw/zinc/49/97/39/1079499739.db2.gz AQLAEVCHPLRZSC-MRXNPFEDSA-N 1 0 424.542 0.777 20 0 HCADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000785439108 1079558929 /nfs/dbraw/zinc/55/89/29/1079558929.db2.gz OTPZGBJEDIKWJA-CQSZACIVSA-N 1 0 407.492 0.543 20 0 HCADRO CCn1c(=O)c2ccccc2n(CC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1=O ZINC000785439517 1079767811 /nfs/dbraw/zinc/76/78/11/1079767811.db2.gz TVYSMJRFVHQFMC-MRXNPFEDSA-N 1 0 414.506 0.895 20 0 HCADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CSc2nnc(C)c(=O)n2N)CC1 ZINC000785443221 1080068584 /nfs/dbraw/zinc/06/85/84/1080068584.db2.gz UAQYEDXCKQJVJH-UHFFFAOYSA-N 1 0 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Cn1nc(Br)cc1C[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000785446835 1080140806 /nfs/dbraw/zinc/14/08/06/1080140806.db2.gz WUZYDFSLYKHUIL-UHFFFAOYSA-N 1 0 408.304 0.801 20 0 HCADRO CCn1c(CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)nc2ccccc21 ZINC000785449091 1080212759 /nfs/dbraw/zinc/21/27/59/1080212759.db2.gz WTPPSVPQBFBQOS-UHFFFAOYSA-N 1 0 400.527 0.768 20 0 HCADRO CCn1c(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000785453725 1080396009 /nfs/dbraw/zinc/39/60/09/1080396009.db2.gz KXHQONYCVDLBDP-INIZCTEOSA-N 1 0 412.538 0.957 20 0 HCADRO CCn1c(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000785453726 1080395874 /nfs/dbraw/zinc/39/58/74/1080395874.db2.gz KXHQONYCVDLBDP-MRXNPFEDSA-N 1 0 412.538 0.957 20 0 HCADRO CCn1c(CNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)nc2ccccc21 ZINC000785456344 1080467853 /nfs/dbraw/zinc/46/78/53/1080467853.db2.gz XMYHIMRGEIBEKF-UHFFFAOYSA-N 1 0 401.511 0.978 20 0 HCADRO O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NC1CC[NH+](C2CC2)CC1 ZINC000913893233 1077288928 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1077847138 /nfs/dbraw/zinc/84/71/38/1077847138.db2.gz QEDBPOKSIDOVLG-OAQYLSRUSA-N 1 0 401.511 0.597 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC000915266197 1077847166 /nfs/dbraw/zinc/84/71/66/1077847166.db2.gz GMTWXAPLMLWBNR-INIZCTEOSA-N 1 0 406.914 0.921 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC000915266198 1077847096 /nfs/dbraw/zinc/84/70/96/1077847096.db2.gz GMTWXAPLMLWBNR-MRXNPFEDSA-N 1 0 406.914 0.921 20 0 HCADRO CCOc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CC2=O)cc1 ZINC000915266217 1077847158 /nfs/dbraw/zinc/84/71/58/1077847158.db2.gz HZFNJAZKUSVKIP-INIZCTEOSA-N 1 0 402.495 0.671 20 0 HCADRO CCOc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CC2=O)cc1 ZINC000915266218 1077847149 /nfs/dbraw/zinc/84/71/49/1077847149.db2.gz HZFNJAZKUSVKIP-MRXNPFEDSA-N 1 0 402.495 0.671 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000915266865 1077847131 /nfs/dbraw/zinc/84/71/31/1077847131.db2.gz IGWNVZCBIWXXHN-UHFFFAOYSA-N 1 0 407.540 0.211 20 0 HCADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCCCN2CC[NH+](CC)CC2)n(C)c1 ZINC000915267219 1077847355 /nfs/dbraw/zinc/84/73/55/1077847355.db2.gz OYYLOZHQPKJZEP-UHFFFAOYSA-N 1 0 413.588 0.813 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000915267288 1077847292 /nfs/dbraw/zinc/84/72/92/1077847292.db2.gz UMRURNDNBQIQJK-NRFANRHFSA-N 1 0 401.511 0.597 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000915267289 1077847334 /nfs/dbraw/zinc/84/73/34/1077847334.db2.gz UMRURNDNBQIQJK-OAQYLSRUSA-N 1 0 401.511 0.597 20 0 HCADRO CON(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000915267546 1077847448 /nfs/dbraw/zinc/84/74/48/1077847448.db2.gz MCKFNMFONXUHRT-GOSISDBHSA-N 1 0 412.556 0.870 20 0 HCADRO CON(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000915267549 1077847516 /nfs/dbraw/zinc/84/75/16/1077847516.db2.gz MCKFNMFONXUHRT-SFHVURJKSA-N 1 0 412.556 0.870 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000915267582 1077847511 /nfs/dbraw/zinc/84/75/11/1077847511.db2.gz MJWPFWZBYSLVFI-UHFFFAOYSA-N 1 0 402.948 0.958 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000915267638 1077847458 /nfs/dbraw/zinc/84/74/58/1077847458.db2.gz NOYDQPCFMAVUOI-NRFANRHFSA-N 1 0 417.510 0.216 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000915267639 1077847505 /nfs/dbraw/zinc/84/75/05/1077847505.db2.gz NOYDQPCFMAVUOI-OAQYLSRUSA-N 1 0 417.510 0.216 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)ccc1Cl ZINC000915267791 1077847520 /nfs/dbraw/zinc/84/75/20/1077847520.db2.gz SRMQGPSTJNGGMY-UHFFFAOYSA-N 1 0 416.931 0.436 20 0 HCADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000915268197 1077847482 /nfs/dbraw/zinc/84/74/82/1077847482.db2.gz YTDBTDLPJXAIPD-UHFFFAOYSA-N 1 0 402.904 0.094 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1 ZINC000915268245 1077847476 /nfs/dbraw/zinc/84/74/76/1077847476.db2.gz ZQQKXXNUDYQFHZ-UHFFFAOYSA-N 1 0 404.492 0.728 20 0 HCADRO CN(CC(=O)NCCCC[NH+]1CCN(C)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000915269606 1077848810 /nfs/dbraw/zinc/84/88/10/1077848810.db2.gz VZZWCJYUSIIHCQ-UHFFFAOYSA-N 1 0 407.540 0.211 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1 ZINC000915320734 1077858113 /nfs/dbraw/zinc/85/81/13/1077858113.db2.gz BFZONPMZWPAOIA-UHFFFAOYSA-N 1 0 424.571 0.784 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000915333622 1077858487 /nfs/dbraw/zinc/85/84/87/1077858487.db2.gz YAQDTHAIENSYSO-HNNXBMFYSA-N 1 0 400.501 0.837 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000915333623 1077858522 /nfs/dbraw/zinc/85/85/22/1077858522.db2.gz YAQDTHAIENSYSO-OAHLLOKOSA-N 1 0 400.501 0.837 20 0 HCADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000915354639 1077862367 /nfs/dbraw/zinc/86/23/67/1077862367.db2.gz QOECPEYDPLPJIE-UHFFFAOYSA-N 1 0 403.888 0.521 20 0 HCADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000915354650 1077862391 /nfs/dbraw/zinc/86/23/91/1077862391.db2.gz RNAHLZBVCOKZFV-UHFFFAOYSA-N 1 0 409.961 0.659 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000915354731 1077862401 /nfs/dbraw/zinc/86/24/01/1077862401.db2.gz ZYQNYEMZABYWSW-UHFFFAOYSA-N 1 0 423.944 0.138 20 0 HCADRO O=C(COC(=O)CNS(=O)(=O)c1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000915392447 1077867216 /nfs/dbraw/zinc/86/72/16/1077867216.db2.gz VDVRLRONLGGGEJ-UHFFFAOYSA-N 1 0 401.510 0.313 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2sccc2-n2cnnn2)C1 ZINC000915395199 1077868442 /nfs/dbraw/zinc/86/84/42/1077868442.db2.gz WLJNHWDTDZOJNN-CYBMUJFWSA-N 1 0 408.484 0.354 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2sccc2-n2cnnn2)C1 ZINC000915395224 1077868481 /nfs/dbraw/zinc/86/84/81/1077868481.db2.gz WLJNHWDTDZOJNN-ZDUSSCGKSA-N 1 0 408.484 0.354 20 0 HCADRO O=C(COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)NC1CC[NH+](C2CC2)CC1 ZINC000915402873 1077870041 /nfs/dbraw/zinc/87/00/41/1077870041.db2.gz DPRKAJUEMOBTSD-UHFFFAOYSA-N 1 0 400.435 0.388 20 0 HCADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)CN3CCCNC3=O)CC2)cc1 ZINC000915432682 1077875774 /nfs/dbraw/zinc/87/57/74/1077875774.db2.gz ILHYGVQCPDHQHP-UHFFFAOYSA-N 1 0 418.494 0.688 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)CN3CCCNC3=O)cc2)CC1 ZINC000915433411 1077875762 /nfs/dbraw/zinc/87/57/62/1077875762.db2.gz JSBRVZURGCYAHX-UHFFFAOYSA-N 1 0 403.483 0.726 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C2CCN(C(=O)N(C)C)CC2)C1 ZINC000915444058 1077878885 /nfs/dbraw/zinc/87/88/85/1077878885.db2.gz DKYOCHARIAXHHZ-KRWDZBQOSA-N 1 0 412.531 0.396 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C2CCN(C(=O)N(C)C)CC2)C1 ZINC000915444059 1077878826 /nfs/dbraw/zinc/87/88/26/1077878826.db2.gz DKYOCHARIAXHHZ-QGZVFWFLSA-N 1 0 412.531 0.396 20 0 HCADRO Cc1ccn2c(c1)ncc(C(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c2=O ZINC000915545783 1077925092 /nfs/dbraw/zinc/92/50/92/1077925092.db2.gz RUEZTYCDJWMMKE-INIZCTEOSA-N 1 0 416.478 0.633 20 0 HCADRO Cc1ccn2c(c1)ncc(C(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c2=O ZINC000915545786 1077925049 /nfs/dbraw/zinc/92/50/49/1077925049.db2.gz RUEZTYCDJWMMKE-MRXNPFEDSA-N 1 0 416.478 0.633 20 0 HCADRO C[C@H](CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000915599186 1077936001 /nfs/dbraw/zinc/93/60/01/1077936001.db2.gz IJYZWAIAWGKJOE-DOOKAGJSSA-N 1 0 411.506 0.424 20 0 HCADRO C[C@@H](CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000915599187 1077935706 /nfs/dbraw/zinc/93/57/06/1077935706.db2.gz IJYZWAIAWGKJOE-IBSYWUHOSA-N 1 0 411.506 0.424 20 0 HCADRO COc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc(OC)c1OCC(N)=O ZINC000915620701 1077938100 /nfs/dbraw/zinc/93/81/00/1077938100.db2.gz FFPHQHSWKFHXKQ-INIZCTEOSA-N 1 0 421.494 0.941 20 0 HCADRO COc1cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc(OC)c1OCC(N)=O ZINC000915620703 1077937723 /nfs/dbraw/zinc/93/77/23/1077937723.db2.gz FFPHQHSWKFHXKQ-MRXNPFEDSA-N 1 0 421.494 0.941 20 0 HCADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000915621076 1077944175 /nfs/dbraw/zinc/94/41/75/1077944175.db2.gz HFUCFMIBDAIDRQ-GFCCVEGCSA-N 1 0 415.288 0.471 20 0 HCADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000915621077 1077944306 /nfs/dbraw/zinc/94/43/06/1077944306.db2.gz HFUCFMIBDAIDRQ-LBPRGKRZSA-N 1 0 415.288 0.471 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C[NH+](C)C)C(C)C)c1 ZINC000915622521 1077944086 /nfs/dbraw/zinc/94/40/86/1077944086.db2.gz CIOOKCMHCBZKTL-INIZCTEOSA-N 1 0 400.545 0.581 20 0 HCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C[NH+](C)C)C(C)C)c1 ZINC000915622523 1077944503 /nfs/dbraw/zinc/94/45/03/1077944503.db2.gz CIOOKCMHCBZKTL-MRXNPFEDSA-N 1 0 400.545 0.581 20 0 HCADRO CN(CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000915625165 1077944791 /nfs/dbraw/zinc/94/47/91/1077944791.db2.gz TWUFIZUYNMZQLA-INIZCTEOSA-N 1 0 420.535 0.827 20 0 HCADRO CN(CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000915625166 1077944713 /nfs/dbraw/zinc/94/47/13/1077944713.db2.gz TWUFIZUYNMZQLA-MRXNPFEDSA-N 1 0 420.535 0.827 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC ZINC000915627674 1077940708 /nfs/dbraw/zinc/94/07/08/1077940708.db2.gz VYZZNXGZWABJLR-INIZCTEOSA-N 1 0 411.524 0.977 20 0 HCADRO CNS(=O)(=O)c1cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC ZINC000915627675 1077940787 /nfs/dbraw/zinc/94/07/87/1077940787.db2.gz VYZZNXGZWABJLR-MRXNPFEDSA-N 1 0 411.524 0.977 20 0 HCADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000915628757 1077940763 /nfs/dbraw/zinc/94/07/63/1077940763.db2.gz AGYPIDAVAPLILG-MOPGFXCFSA-N 1 0 421.563 0.655 20 0 HCADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000915628758 1077940807 /nfs/dbraw/zinc/94/08/07/1077940807.db2.gz AGYPIDAVAPLILG-OALUTQOASA-N 1 0 421.563 0.655 20 0 HCADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000915628759 1077940683 /nfs/dbraw/zinc/94/06/83/1077940683.db2.gz AGYPIDAVAPLILG-RBUKOAKNSA-N 1 0 421.563 0.655 20 0 HCADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000915628760 1077940868 /nfs/dbraw/zinc/94/08/68/1077940868.db2.gz AGYPIDAVAPLILG-RTBURBONSA-N 1 0 421.563 0.655 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000915630056 1077941458 /nfs/dbraw/zinc/94/14/58/1077941458.db2.gz WEZIBTCECBUWTQ-HRAATJIYSA-N 1 0 401.511 0.596 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000915630058 1077941561 /nfs/dbraw/zinc/94/15/61/1077941561.db2.gz WEZIBTCECBUWTQ-IERDGZPVSA-N 1 0 401.511 0.596 20 0 HCADRO CC[NH+]1CCN([C@H](C)CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000915630059 1077941321 /nfs/dbraw/zinc/94/13/21/1077941321.db2.gz WEZIBTCECBUWTQ-IIBYNOLFSA-N 1 0 401.511 0.596 20 0 HCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000915630061 1077941427 /nfs/dbraw/zinc/94/14/27/1077941427.db2.gz WEZIBTCECBUWTQ-KKSFZXQISA-N 1 0 401.511 0.596 20 0 HCADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000915631859 1077941234 /nfs/dbraw/zinc/94/12/34/1077941234.db2.gz VZYRGEFUDGIWBQ-CVEARBPZSA-N 1 0 412.556 0.780 20 0 HCADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000915631860 1077941484 /nfs/dbraw/zinc/94/14/84/1077941484.db2.gz VZYRGEFUDGIWBQ-HOTGVXAUSA-N 1 0 412.556 0.780 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000915631864 1077941609 /nfs/dbraw/zinc/94/16/09/1077941609.db2.gz WHMORLRHCUJHEL-CVEARBPZSA-N 1 0 412.556 0.923 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000915631865 1077941409 /nfs/dbraw/zinc/94/14/09/1077941409.db2.gz WHMORLRHCUJHEL-HOTGVXAUSA-N 1 0 412.556 0.923 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3cnn(C)c3)cc2)CC1 ZINC000915639015 1077946683 /nfs/dbraw/zinc/94/66/83/1077946683.db2.gz BMQHCFGMTUDFPL-UHFFFAOYSA-N 1 0 406.512 0.479 20 0 HCADRO Cc1cccc(C2N=NC(=S)N2CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000915641587 1077947483 /nfs/dbraw/zinc/94/74/83/1077947483.db2.gz PKGCQVRTRPBEAB-UHFFFAOYSA-N 1 0 402.524 0.775 20 0 HCADRO CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000915648527 1077945388 /nfs/dbraw/zinc/94/53/88/1077945388.db2.gz IIRRLGJTCFWIDX-UHFFFAOYSA-N 1 0 410.540 0.705 20 0 HCADRO Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1C ZINC000915648573 1077945631 /nfs/dbraw/zinc/94/56/31/1077945631.db2.gz AAEFLRGDGRFXJV-UHFFFAOYSA-N 1 0 410.540 0.300 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000915648623 1077945364 /nfs/dbraw/zinc/94/53/64/1077945364.db2.gz FWBFUBYHCYZUHZ-UHFFFAOYSA-N 1 0 417.915 0.992 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 ZINC000915649434 1077945943 /nfs/dbraw/zinc/94/59/43/1077945943.db2.gz SUEMMACPZUNVPA-GOSISDBHSA-N 1 0 415.494 0.498 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 ZINC000915649435 1077946232 /nfs/dbraw/zinc/94/62/32/1077946232.db2.gz SUEMMACPZUNVPA-SFHVURJKSA-N 1 0 415.494 0.498 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)CC1 ZINC000915649513 1077946178 /nfs/dbraw/zinc/94/61/78/1077946178.db2.gz XUHKMJBEOXDJCZ-KRWDZBQOSA-N 1 0 420.432 0.951 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)CC1 ZINC000915649515 1077946039 /nfs/dbraw/zinc/94/60/39/1077946039.db2.gz XUHKMJBEOXDJCZ-QGZVFWFLSA-N 1 0 420.432 0.951 20 0 HCADRO Cn1c2ncn(CC(=O)N(CCc3ccccc3)CC[NH+](C)C)c2c(=O)n(C)c1=O ZINC000915655862 1077949530 /nfs/dbraw/zinc/94/95/30/1077949530.db2.gz ZPLXTSZUIIOPJF-UHFFFAOYSA-N 1 0 412.494 0.067 20 0 HCADRO C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1=O ZINC000915661867 1077950512 /nfs/dbraw/zinc/95/05/12/1077950512.db2.gz UCHHDJZPVHFYDU-NRFANRHFSA-N 1 0 414.462 0.925 20 0 HCADRO CC[NH+]1CCC(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)CC1 ZINC000915668214 1077952187 /nfs/dbraw/zinc/95/21/87/1077952187.db2.gz PAUAKQXNMCZZJS-UHFFFAOYSA-N 1 0 413.544 0.121 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC(NC(=O)COC)CC3)cc2)CC1 ZINC000915680535 1077954850 /nfs/dbraw/zinc/95/48/50/1077954850.db2.gz WGMSBFCBKAVQPN-UHFFFAOYSA-N 1 0 417.554 0.994 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(C(=O)COC)CC3)cc2)CC1 ZINC000915690252 1077953637 /nfs/dbraw/zinc/95/36/37/1077953637.db2.gz MLHNIYOSTHJXAV-UHFFFAOYSA-N 1 0 403.527 0.558 20 0 HCADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000915702127 1077957808 /nfs/dbraw/zinc/95/78/08/1077957808.db2.gz RXBUZIXWKCSUTC-OAGGEKHMSA-N 1 0 412.556 0.636 20 0 HCADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000915702128 1077957874 /nfs/dbraw/zinc/95/78/74/1077957874.db2.gz RXBUZIXWKCSUTC-XHSDSOJGSA-N 1 0 412.556 0.636 20 0 HCADRO CN(CC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000915708915 1077958888 /nfs/dbraw/zinc/95/88/88/1077958888.db2.gz FFKJCVRMWCHTTP-UHFFFAOYSA-N 1 0 420.535 0.638 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCN3CCOCC3)cc2)CC1 ZINC000915714125 1077961537 /nfs/dbraw/zinc/96/15/37/1077961537.db2.gz PUUIOMTXCJJVQX-UHFFFAOYSA-N 1 0 403.527 0.606 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCN3CCCC3=O)cc2)CC1 ZINC000915715144 1077961634 /nfs/dbraw/zinc/96/16/34/1077961634.db2.gz DHKGZYCJISUUSQ-UHFFFAOYSA-N 1 0 401.511 0.896 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)c1ccccc1 ZINC000915718152 1077960648 /nfs/dbraw/zinc/96/06/48/1077960648.db2.gz NYLOXBBUYCJQKY-LJQANCHMSA-N 1 0 409.490 0.980 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000915720440 1077960864 /nfs/dbraw/zinc/96/08/64/1077960864.db2.gz FDNIYJLJHNEMMB-UHFFFAOYSA-N 1 0 403.527 0.604 20 0 HCADRO Cn1ccnc1[C@@](O)(CCNC(=O)NCCCC[NH+]1CCOCC1)C(F)(F)F ZINC000915720864 1077962031 /nfs/dbraw/zinc/96/20/31/1077962031.db2.gz KMVOVTSPIRDWPW-INIZCTEOSA-N 1 0 407.437 0.972 20 0 HCADRO Cn1ccnc1[C@](O)(CCNC(=O)NCCCC[NH+]1CCOCC1)C(F)(F)F ZINC000915720865 1077961840 /nfs/dbraw/zinc/96/18/40/1077961840.db2.gz KMVOVTSPIRDWPW-MRXNPFEDSA-N 1 0 407.437 0.972 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)N3CCOCC3)cc2)CC1 ZINC000915721002 1077962561 /nfs/dbraw/zinc/96/25/61/1077962561.db2.gz QHOWVNOSXCCVPV-UHFFFAOYSA-N 1 0 417.554 0.994 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)Cc1ccccc1 ZINC000915723243 1077962605 /nfs/dbraw/zinc/96/26/05/1077962605.db2.gz SVKSUTZFMSWWPL-FQEVSTJZSA-N 1 0 423.517 0.850 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000915726395 1077962832 /nfs/dbraw/zinc/96/28/32/1077962832.db2.gz YDXJXTFGYTUZMQ-IBGZPJMESA-N 1 0 421.501 0.952 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000915726397 1077963055 /nfs/dbraw/zinc/96/30/55/1077963055.db2.gz YDXJXTFGYTUZMQ-LJQANCHMSA-N 1 0 421.501 0.952 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC3CCN(C(C)=O)CC3)cc2)CC1 ZINC000915734186 1077963705 /nfs/dbraw/zinc/96/37/05/1077963705.db2.gz JVWGZQQVDDHWOE-UHFFFAOYSA-N 1 0 401.511 0.894 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000915736792 1077964712 /nfs/dbraw/zinc/96/47/12/1077964712.db2.gz LETICKUPHUWAQR-HNNXBMFYSA-N 1 0 422.507 0.731 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000915736794 1077964577 /nfs/dbraw/zinc/96/45/77/1077964577.db2.gz LETICKUPHUWAQR-OAHLLOKOSA-N 1 0 422.507 0.731 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCc2nnc3ccccn32)CC1 ZINC000915737827 1077964447 /nfs/dbraw/zinc/96/44/47/1077964447.db2.gz GUVJKYDLMZGYAM-UHFFFAOYSA-N 1 0 407.478 0.779 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000915740192 1077965908 /nfs/dbraw/zinc/96/59/08/1077965908.db2.gz JVZRBCVZCNHDCS-UHFFFAOYSA-N 1 0 412.512 0.799 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000915740631 1077966657 /nfs/dbraw/zinc/96/66/57/1077966657.db2.gz BFVNCZQJGUHWLZ-UHFFFAOYSA-N 1 0 418.466 0.375 20 0 HCADRO CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000915740871 1077966700 /nfs/dbraw/zinc/96/67/00/1077966700.db2.gz PDNIRLFBLAWZBN-YFHOEESVSA-N 1 0 402.495 0.955 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NCc3ccco3)cc2)CC1 ZINC000915743498 1077967039 /nfs/dbraw/zinc/96/70/39/1077967039.db2.gz PAGZUTQFDUJEGO-UHFFFAOYSA-N 1 0 413.478 0.793 20 0 HCADRO CN(C)C(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000915752014 1077968090 /nfs/dbraw/zinc/96/80/90/1077968090.db2.gz FTWZZDMRFXEMMU-UHFFFAOYSA-N 1 0 424.505 0.790 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC(=O)N3CCOCC3)cc2)CC1 ZINC000915755446 1077968765 /nfs/dbraw/zinc/96/87/65/1077968765.db2.gz YFMVKFNFVSICCL-UHFFFAOYSA-N 1 0 417.510 0.132 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)N1CCOCC1 ZINC000915756118 1077969003 /nfs/dbraw/zinc/96/90/03/1077969003.db2.gz XLZXOJQGYDTBHO-FQEVSTJZSA-N 1 0 417.554 0.850 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)N1CCOCC1 ZINC000915756119 1077969110 /nfs/dbraw/zinc/96/91/10/1077969110.db2.gz XLZXOJQGYDTBHO-HXUWFJFHSA-N 1 0 417.554 0.850 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCNC(=O)c3ccco3)cc2)CC1 ZINC000915756296 1077969503 /nfs/dbraw/zinc/96/95/03/1077969503.db2.gz IANUQCQIROJHHG-UHFFFAOYSA-N 1 0 413.478 0.906 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCNC(=O)c2ccccc2)CC1 ZINC000915756351 1077969441 /nfs/dbraw/zinc/96/94/41/1077969441.db2.gz LHKLRLZDSDGQLV-UHFFFAOYSA-N 1 0 409.490 0.923 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 ZINC000915758309 1077970003 /nfs/dbraw/zinc/97/00/03/1077970003.db2.gz ADXIMTGIGPFSFS-UHFFFAOYSA-N 1 0 403.483 0.724 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 ZINC000915758359 1077969836 /nfs/dbraw/zinc/96/98/36/1077969836.db2.gz AZUUXLQKYRMQHC-UHFFFAOYSA-N 1 0 417.510 0.720 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)CC1 ZINC000915758714 1077969784 /nfs/dbraw/zinc/96/97/84/1077969784.db2.gz MAZUOUFGICIIGG-INIZCTEOSA-N 1 0 400.479 0.937 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)CC1 ZINC000915758715 1077970036 /nfs/dbraw/zinc/97/00/36/1077970036.db2.gz MAZUOUFGICIIGG-MRXNPFEDSA-N 1 0 400.479 0.937 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000915758808 1077969855 /nfs/dbraw/zinc/96/98/55/1077969855.db2.gz DSVZMCJHSGSNKJ-UHFFFAOYSA-N 1 0 403.527 0.604 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 ZINC000915759375 1077968265 /nfs/dbraw/zinc/96/82/65/1077968265.db2.gz ZSMGLIBVMNZYCG-UHFFFAOYSA-N 1 0 413.522 0.894 20 0 HCADRO CN(C)C(=O)c1ccccc1NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000915760012 1077968231 /nfs/dbraw/zinc/96/82/31/1077968231.db2.gz OSDSKXXAHONZBX-UHFFFAOYSA-N 1 0 424.505 0.790 20 0 HCADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000915761407 1077970698 /nfs/dbraw/zinc/97/06/98/1077970698.db2.gz OFTSIEOEZIAXDZ-UHFFFAOYSA-N 1 0 409.450 0.987 20 0 HCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)c1 ZINC000915762017 1077970486 /nfs/dbraw/zinc/97/04/86/1077970486.db2.gz GDWHGJWJWMIRIG-UHFFFAOYSA-N 1 0 409.450 0.858 20 0 HCADRO CN(Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1)C(=O)C(F)(F)F ZINC000915762088 1077970691 /nfs/dbraw/zinc/97/06/91/1077970691.db2.gz QYOCRUFIAPLSPS-CYBMUJFWSA-N 1 0 404.389 0.185 20 0 HCADRO CN(Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1)C(=O)C(F)(F)F ZINC000915762091 1077970655 /nfs/dbraw/zinc/97/06/55/1077970655.db2.gz QYOCRUFIAPLSPS-ZDUSSCGKSA-N 1 0 404.389 0.185 20 0 HCADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000915762183 1077970894 /nfs/dbraw/zinc/97/08/94/1077970894.db2.gz ZUFAVXJRJHMZME-SECBINFHSA-N 1 0 402.245 0.198 20 0 HCADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000915762184 1077970923 /nfs/dbraw/zinc/97/09/23/1077970923.db2.gz ZUFAVXJRJHMZME-VIFPVBQESA-N 1 0 402.245 0.198 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000915762265 1077971040 /nfs/dbraw/zinc/97/10/40/1077971040.db2.gz RPPXTONHMNXCMY-UHFFFAOYSA-N 1 0 420.477 0.669 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000915763997 1077974923 /nfs/dbraw/zinc/97/49/23/1077974923.db2.gz LLFFCPMRPNPXOU-UHFFFAOYSA-N 1 0 412.512 0.799 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCNC(=O)c3cccnc3)cc2)CC1 ZINC000915764307 1077974962 /nfs/dbraw/zinc/97/49/62/1077974962.db2.gz AOLIQAJNTOBGAL-UHFFFAOYSA-N 1 0 424.505 0.708 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000915764834 1077971176 /nfs/dbraw/zinc/97/11/76/1077971176.db2.gz DVSABIKFZJOMSF-AWEZNQCLSA-N 1 0 412.512 0.798 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000915764836 1077970935 /nfs/dbraw/zinc/97/09/35/1077970935.db2.gz DVSABIKFZJOMSF-CQSZACIVSA-N 1 0 412.512 0.798 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000915765044 1077971014 /nfs/dbraw/zinc/97/10/14/1077971014.db2.gz WIJKBRXMUXQQIN-UHFFFAOYSA-N 1 0 418.466 0.375 20 0 HCADRO CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NCCN2CC[NH+](CC)CC2)cc1 ZINC000915765144 1077971106 /nfs/dbraw/zinc/97/11/06/1077971106.db2.gz ZXVVWGGLYISGAK-YFHOEESVSA-N 1 0 402.495 0.955 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)N3CCOCC3)cc2)CC1 ZINC000915765395 1077971198 /nfs/dbraw/zinc/97/11/98/1077971198.db2.gz NFNNMGYMUSKRIX-KRWDZBQOSA-N 1 0 403.527 0.604 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)N3CCOCC3)cc2)CC1 ZINC000915765396 1077971078 /nfs/dbraw/zinc/97/10/78/1077971078.db2.gz NFNNMGYMUSKRIX-QGZVFWFLSA-N 1 0 403.527 0.604 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000915765420 1077970986 /nfs/dbraw/zinc/97/09/86/1077970986.db2.gz PKPXVDSPVIQTSF-UHFFFAOYSA-N 1 0 410.478 0.318 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000915765906 1077971452 /nfs/dbraw/zinc/97/14/52/1077971452.db2.gz CEPJJMQOGVVLKJ-HZPDHXFCSA-N 1 0 401.511 0.798 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000915765907 1077971603 /nfs/dbraw/zinc/97/16/03/1077971603.db2.gz CEPJJMQOGVVLKJ-JKSUJKDBSA-N 1 0 401.511 0.798 20 0 HCADRO CN(C)C(=O)c1ccccc1NC(=O)C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000915766001 1077971365 /nfs/dbraw/zinc/97/13/65/1077971365.db2.gz FGBQKMRRBZOQLN-SFHVURJKSA-N 1 0 424.501 0.862 20 0 HCADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000915766614 1077971364 /nfs/dbraw/zinc/97/13/64/1077971364.db2.gz KRTAKNKSCPQNTG-GFCCVEGCSA-N 1 0 419.450 0.584 20 0 HCADRO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000915766657 1077971480 /nfs/dbraw/zinc/97/14/80/1077971480.db2.gz LUXOYPMRCZGZKP-FQEVSTJZSA-N 1 0 420.473 0.741 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000915766955 1077971534 /nfs/dbraw/zinc/97/15/34/1077971534.db2.gz PSFOCALWSRSXFH-HZPDHXFCSA-N 1 0 401.511 0.940 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)CN3CCOCC3)cc2)CC1 ZINC000915767528 1077971882 /nfs/dbraw/zinc/97/18/82/1077971882.db2.gz ZAOIXPZBJMNLSI-KRWDZBQOSA-N 1 0 403.527 0.604 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)CN3CCOCC3)cc2)CC1 ZINC000915767529 1077972100 /nfs/dbraw/zinc/97/21/00/1077972100.db2.gz ZAOIXPZBJMNLSI-QGZVFWFLSA-N 1 0 403.527 0.604 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(=O)N3CCCCC3)cc2)CC1 ZINC000915768318 1077971965 /nfs/dbraw/zinc/97/19/65/1077971965.db2.gz FTARLMHGJIAOMA-UHFFFAOYSA-N 1 0 401.511 0.896 20 0 HCADRO NC(=O)C1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC000915772518 1077973773 /nfs/dbraw/zinc/97/37/73/1077973773.db2.gz KKDDAGASNFHLEZ-UHFFFAOYSA-N 1 0 413.482 0.300 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCC(=O)NC3CC3)cc2)CC1 ZINC000915777758 1077978653 /nfs/dbraw/zinc/97/86/53/1077978653.db2.gz PYUZCSFNGYJSFD-UHFFFAOYSA-N 1 0 401.511 0.942 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000915778914 1077975019 /nfs/dbraw/zinc/97/50/19/1077975019.db2.gz IOEGLSDSYNCFPZ-CABCVRRESA-N 1 0 410.496 0.550 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000915778918 1077974758 /nfs/dbraw/zinc/97/47/58/1077974758.db2.gz IOEGLSDSYNCFPZ-GJZGRUSLSA-N 1 0 410.496 0.550 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000915778922 1077975039 /nfs/dbraw/zinc/97/50/39/1077975039.db2.gz IOEGLSDSYNCFPZ-HUUCEWRRSA-N 1 0 410.496 0.550 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000915778927 1077974616 /nfs/dbraw/zinc/97/46/16/1077974616.db2.gz IOEGLSDSYNCFPZ-LSDHHAIUSA-N 1 0 410.496 0.550 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000915779390 1077975064 /nfs/dbraw/zinc/97/50/64/1077975064.db2.gz XHGYMRUYBFNHHI-CABCVRRESA-N 1 0 419.913 0.958 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000915779391 1077974858 /nfs/dbraw/zinc/97/48/58/1077974858.db2.gz XHGYMRUYBFNHHI-GJZGRUSLSA-N 1 0 419.913 0.958 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000915779392 1077974729 /nfs/dbraw/zinc/97/47/29/1077974729.db2.gz XHGYMRUYBFNHHI-HUUCEWRRSA-N 1 0 419.913 0.958 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000915779393 1077975440 /nfs/dbraw/zinc/97/54/40/1077975440.db2.gz XHGYMRUYBFNHHI-LSDHHAIUSA-N 1 0 419.913 0.958 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@H](O)COc2ccccc2)CC1 ZINC000915782298 1077975830 /nfs/dbraw/zinc/97/58/30/1077975830.db2.gz YVPSLKKYEBGUJM-KRWDZBQOSA-N 1 0 412.490 0.933 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)CC1 ZINC000915782303 1077976202 /nfs/dbraw/zinc/97/62/02/1077976202.db2.gz YVPSLKKYEBGUJM-QGZVFWFLSA-N 1 0 412.490 0.933 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000915785531 1077977300 /nfs/dbraw/zinc/97/73/00/1077977300.db2.gz INSDIJKMXWKBQP-CVEARBPZSA-N 1 0 410.496 0.550 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000915785532 1077977198 /nfs/dbraw/zinc/97/71/98/1077977198.db2.gz INSDIJKMXWKBQP-HOTGVXAUSA-N 1 0 410.496 0.550 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000915785570 1077977108 /nfs/dbraw/zinc/97/71/08/1077977108.db2.gz MOJLJIRXWRNRQA-RDJZCZTQSA-N 1 0 419.913 0.958 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000915785571 1077977020 /nfs/dbraw/zinc/97/70/20/1077977020.db2.gz MOJLJIRXWRNRQA-WBVHZDCISA-N 1 0 419.913 0.958 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)[NH+](C)C ZINC000915785588 1077977033 /nfs/dbraw/zinc/97/70/33/1077977033.db2.gz PABYVBDXGNZZOI-AWEZNQCLSA-N 1 0 423.539 0.942 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)[NH+](C)C ZINC000915785589 1077977273 /nfs/dbraw/zinc/97/72/73/1077977273.db2.gz PABYVBDXGNZZOI-CQSZACIVSA-N 1 0 423.539 0.942 20 0 HCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)[NH+](C)C ZINC000915785836 1077977073 /nfs/dbraw/zinc/97/70/73/1077977073.db2.gz WAZJQHIXUGGGMU-AWEZNQCLSA-N 1 0 423.539 0.942 20 0 HCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)[NH+](C)C ZINC000915785837 1077977246 /nfs/dbraw/zinc/97/72/46/1077977246.db2.gz WAZJQHIXUGGGMU-CQSZACIVSA-N 1 0 423.539 0.942 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC(=O)NCc2ccccc2)CC1 ZINC000915786399 1077976941 /nfs/dbraw/zinc/97/69/41/1077976941.db2.gz VUKHISUSJKMFHA-UHFFFAOYSA-N 1 0 409.490 0.810 20 0 HCADRO C[NH+](C)CCCN(C(=O)Cc1cnn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000915831849 1078004978 /nfs/dbraw/zinc/00/49/78/1078004978.db2.gz YFNQAGWNEPHAIC-GOSISDBHSA-N 1 0 405.524 0.777 20 0 HCADRO C[NH+](C)CCCN(C(=O)Cc1cnn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000915831852 1078004964 /nfs/dbraw/zinc/00/49/64/1078004964.db2.gz YFNQAGWNEPHAIC-SFHVURJKSA-N 1 0 405.524 0.777 20 0 HCADRO CC[NH+]1CCC(NC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000915903370 1078052998 /nfs/dbraw/zinc/05/29/98/1078052998.db2.gz JQOURMKJYHWBDH-UHFFFAOYSA-N 1 0 405.524 0.947 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000916001155 1078056134 /nfs/dbraw/zinc/05/61/34/1078056134.db2.gz RFSPGSIGYSWVKE-INIZCTEOSA-N 1 0 411.597 0.815 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000916001156 1078056076 /nfs/dbraw/zinc/05/60/76/1078056076.db2.gz RFSPGSIGYSWVKE-MRXNPFEDSA-N 1 0 411.597 0.815 20 0 HCADRO CC[NH+]1CCN(c2ccc(CNC(=S)NCCCN3CCOCC3)cn2)CC1 ZINC000916014788 1078056293 /nfs/dbraw/zinc/05/62/93/1078056293.db2.gz MBGHXOJMSNQGJA-UHFFFAOYSA-N 1 0 406.600 0.910 20 0 HCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=S)NCCN2CCOCC2)CC1 ZINC000916015226 1078056311 /nfs/dbraw/zinc/05/63/11/1078056311.db2.gz GVSVOOPPVLCJRL-UHFFFAOYSA-N 1 0 413.632 0.753 20 0 HCADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=S)NCCN2CCOCC2)CC1 ZINC000916016201 1078056382 /nfs/dbraw/zinc/05/63/82/1078056382.db2.gz NZBKOJXSJCDSKV-UHFFFAOYSA-N 1 0 411.616 0.507 20 0 HCADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000916021899 1078056670 /nfs/dbraw/zinc/05/66/70/1078056670.db2.gz KCUUCBCDVGABLK-KRWDZBQOSA-N 1 0 409.600 0.781 20 0 HCADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000916021900 1078056698 /nfs/dbraw/zinc/05/66/98/1078056698.db2.gz KCUUCBCDVGABLK-QGZVFWFLSA-N 1 0 409.600 0.781 20 0 HCADRO CC[NH+]1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 ZINC000916141086 1078067576 /nfs/dbraw/zinc/06/75/76/1078067576.db2.gz ZODURHSXNCFYKE-FOWTUZBSSA-N 1 0 403.508 0.872 20 0 HCADRO CC[NH+]1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 ZINC000916141087 1078067524 /nfs/dbraw/zinc/06/75/24/1078067524.db2.gz ZODURHSXNCFYKE-VBKFSLOCSA-N 1 0 403.508 0.872 20 0 HCADRO NC(=O)C1CC[NH+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 ZINC000916143080 1078068253 /nfs/dbraw/zinc/06/82/53/1078068253.db2.gz GVEYBCKVKOLRTM-GDNBJRDFSA-N 1 0 417.491 0.431 20 0 HCADRO NC(=O)C1CC[NH+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 ZINC000916143081 1078068367 /nfs/dbraw/zinc/06/83/67/1078068367.db2.gz GVEYBCKVKOLRTM-XNTDXEJSSA-N 1 0 417.491 0.431 20 0 HCADRO O=C(C[N@H+]1CCC[C@@H](CO)C1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000916143975 1078068352 /nfs/dbraw/zinc/06/83/52/1078068352.db2.gz PJCOCBBWXZWRIW-AVIKPIRVSA-N 1 0 404.492 0.938 20 0 HCADRO O=C(C[N@H+]1CCC[C@H](CO)C1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000916143976 1078068298 /nfs/dbraw/zinc/06/82/98/1078068298.db2.gz PJCOCBBWXZWRIW-HVVQPJKBSA-N 1 0 404.492 0.938 20 0 HCADRO O=C(C[N@H+]1CCC[C@@H](CO)C1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000916143977 1078068097 /nfs/dbraw/zinc/06/80/97/1078068097.db2.gz PJCOCBBWXZWRIW-INQNZLQJSA-N 1 0 404.492 0.938 20 0 HCADRO O=C(C[N@H+]1CCC[C@H](CO)C1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000916143978 1078068382 /nfs/dbraw/zinc/06/83/82/1078068382.db2.gz PJCOCBBWXZWRIW-WNLSXJKCSA-N 1 0 404.492 0.938 20 0 HCADRO C[N@@H+]1CCCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 ZINC000916144355 1078068161 /nfs/dbraw/zinc/06/81/61/1078068161.db2.gz FJPBNXKESGPSBY-FOWTUZBSSA-N 1 0 403.508 0.872 20 0 HCADRO C[N@@H+]1CCCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 ZINC000916144356 1078068660 /nfs/dbraw/zinc/06/86/60/1078068660.db2.gz FJPBNXKESGPSBY-VBKFSLOCSA-N 1 0 403.508 0.872 20 0 HCADRO COc1ccc([C@H](CNC(=O)NCC[NH+]2CCC(O)CC2)N2CCOCC2)cc1 ZINC000916234242 1078075744 /nfs/dbraw/zinc/07/57/44/1078075744.db2.gz ZJAGCLRDFHSOCD-FQEVSTJZSA-N 1 0 406.527 0.824 20 0 HCADRO COc1ccc([C@@H](CNC(=O)NCC[NH+]2CCC(O)CC2)N2CCOCC2)cc1 ZINC000916234243 1078075864 /nfs/dbraw/zinc/07/58/64/1078075864.db2.gz ZJAGCLRDFHSOCD-HXUWFJFHSA-N 1 0 406.527 0.824 20 0 HCADRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(-n4cncn4)nc3)cn2)CC1 ZINC000916245415 1078077147 /nfs/dbraw/zinc/07/71/47/1078077147.db2.gz XFBOPPULMFKUNV-UHFFFAOYSA-N 1 0 407.482 0.809 20 0 HCADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000916258087 1078077247 /nfs/dbraw/zinc/07/72/47/1078077247.db2.gz ZXDXYDCPYFDVKP-UHFFFAOYSA-N 1 0 411.572 0.431 20 0 HCADRO Cn1ccnc1[C@@](O)(CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C(F)(F)F ZINC000916259120 1078077167 /nfs/dbraw/zinc/07/71/67/1078077167.db2.gz VEKFAIMANKRZCS-KRWDZBQOSA-N 1 0 420.480 0.885 20 0 HCADRO Cn1ccnc1[C@](O)(CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C(F)(F)F ZINC000916259122 1078077202 /nfs/dbraw/zinc/07/72/02/1078077202.db2.gz VEKFAIMANKRZCS-QGZVFWFLSA-N 1 0 420.480 0.885 20 0 HCADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)ccc1F ZINC000916373809 1078079902 /nfs/dbraw/zinc/07/99/02/1078079902.db2.gz MCJDKZOFVXGPPE-UHFFFAOYSA-N 1 0 412.531 0.930 20 0 HCADRO Cn1ccnc1[C@@](O)(CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C(F)(F)F ZINC000916377374 1078081375 /nfs/dbraw/zinc/08/13/75/1078081375.db2.gz BMSZSVRLLDPANC-BBRMVZONSA-N 1 0 407.437 0.706 20 0 HCADRO Cn1ccnc1[C@@](O)(CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C(F)(F)F ZINC000916377375 1078081721 /nfs/dbraw/zinc/08/17/21/1078081721.db2.gz BMSZSVRLLDPANC-CJNGLKHVSA-N 1 0 407.437 0.706 20 0 HCADRO Cn1ccnc1[C@](O)(CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C(F)(F)F ZINC000916377377 1078081671 /nfs/dbraw/zinc/08/16/71/1078081671.db2.gz BMSZSVRLLDPANC-CZUORRHYSA-N 1 0 407.437 0.706 20 0 HCADRO Cn1ccnc1[C@](O)(CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C(F)(F)F ZINC000916377379 1078081659 /nfs/dbraw/zinc/08/16/59/1078081659.db2.gz BMSZSVRLLDPANC-XJKSGUPXSA-N 1 0 407.437 0.706 20 0 HCADRO Cn1ccnc1[C@@](O)(CCNC(=O)NC1CCN(CC[NH+](C)C)CC1)C(F)(F)F ZINC000916380172 1078081942 /nfs/dbraw/zinc/08/19/42/1078081942.db2.gz MFUQNYLTPDXMKG-KRWDZBQOSA-N 1 0 420.480 0.885 20 0 HCADRO Cn1ccnc1[C@](O)(CCNC(=O)NC1CCN(CC[NH+](C)C)CC1)C(F)(F)F ZINC000916380173 1078081872 /nfs/dbraw/zinc/08/18/72/1078081872.db2.gz MFUQNYLTPDXMKG-QGZVFWFLSA-N 1 0 420.480 0.885 20 0 HCADRO C[NH+](C)CCN1CCC(NC(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000916383037 1078080531 /nfs/dbraw/zinc/08/05/31/1078080531.db2.gz YNWJBIOIBIQBFX-UHFFFAOYSA-N 1 0 411.572 0.431 20 0 HCADRO Cn1c(=O)c2ccc(C(=O)N(CCc3ccccc3)CC[NH+](C)C)nc2n(C)c1=O ZINC000916385135 1078080413 /nfs/dbraw/zinc/08/04/13/1078080413.db2.gz XRBZMLSKFZNRMK-UHFFFAOYSA-N 1 0 409.490 0.879 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)NCc3ccc(-n4cncn4)nc3)ccn2)CC1 ZINC000916390234 1078081104 /nfs/dbraw/zinc/08/11/04/1078081104.db2.gz ONKRCZOUFKKORS-UHFFFAOYSA-N 1 0 407.482 0.809 20 0 HCADRO O=C(NCc1ccc(-n2cncn2)nc1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000916394863 1078080991 /nfs/dbraw/zinc/08/09/91/1078080991.db2.gz MDBMEZIFULYGNT-IBGZPJMESA-N 1 0 407.478 0.881 20 0 HCADRO O=C(NCc1ccc(-n2cncn2)nc1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000916394864 1078080978 /nfs/dbraw/zinc/08/09/78/1078080978.db2.gz MDBMEZIFULYGNT-LJQANCHMSA-N 1 0 407.478 0.881 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000916499124 1078088278 /nfs/dbraw/zinc/08/82/78/1078088278.db2.gz HTSNFNYURQTRSS-HNNXBMFYSA-N 1 0 422.507 0.731 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000916499125 1078088379 /nfs/dbraw/zinc/08/83/79/1078088379.db2.gz HTSNFNYURQTRSS-OAHLLOKOSA-N 1 0 422.507 0.731 20 0 HCADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000916505064 1078089263 /nfs/dbraw/zinc/08/92/63/1078089263.db2.gz OEFAHEAXCFFSOO-UHFFFAOYSA-N 1 0 405.565 0.013 20 0 HCADRO O=C(NCCNS(=O)(=O)Cc1ccccc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000916516537 1078090204 /nfs/dbraw/zinc/09/02/04/1078090204.db2.gz FNNDKHFMJZOWOF-UHFFFAOYSA-N 1 0 424.567 0.860 20 0 HCADRO CC[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000916570770 1078093340 /nfs/dbraw/zinc/09/33/40/1078093340.db2.gz UBAIOBNANHJGHB-GFCCVEGCSA-N 1 0 405.904 0.660 20 0 HCADRO CC[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000916570771 1078093257 /nfs/dbraw/zinc/09/32/57/1078093257.db2.gz UBAIOBNANHJGHB-LBPRGKRZSA-N 1 0 405.904 0.660 20 0 HCADRO CC[C@H](CO)[NH2+]CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000916570852 1078093266 /nfs/dbraw/zinc/09/32/66/1078093266.db2.gz YIKRTARKMKRYRW-CYBMUJFWSA-N 1 0 401.485 0.015 20 0 HCADRO CC[C@@H](CO)[NH2+]CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000916570853 1078093332 /nfs/dbraw/zinc/09/33/32/1078093332.db2.gz YIKRTARKMKRYRW-ZDUSSCGKSA-N 1 0 401.485 0.015 20 0 HCADRO CC[C@H](CO)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000916571370 1078093470 /nfs/dbraw/zinc/09/34/70/1078093470.db2.gz FYFGDCRCZNWIEA-GFCCVEGCSA-N 1 0 405.904 0.660 20 0 HCADRO CC[C@@H](CO)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000916571371 1078093621 /nfs/dbraw/zinc/09/36/21/1078093621.db2.gz FYFGDCRCZNWIEA-LBPRGKRZSA-N 1 0 405.904 0.660 20 0 HCADRO CC[C@@H](CO)[NH2+]CC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000916571382 1078093570 /nfs/dbraw/zinc/09/35/70/1078093570.db2.gz GGTCBKBBDWVFJF-INIZCTEOSA-N 1 0 417.510 0.929 20 0 HCADRO CC[C@H](CO)[NH2+]CC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000916571383 1078093449 /nfs/dbraw/zinc/09/34/49/1078093449.db2.gz GGTCBKBBDWVFJF-MRXNPFEDSA-N 1 0 417.510 0.929 20 0 HCADRO CCCN(C(=O)C[NH2+][C@@H](CC)CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000916571845 1078093516 /nfs/dbraw/zinc/09/35/16/1078093516.db2.gz NNWORYYXSRDBGK-HNNXBMFYSA-N 1 0 403.483 0.683 20 0 HCADRO CCCN(C(=O)C[NH2+][C@H](CC)CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000916571846 1078093417 /nfs/dbraw/zinc/09/34/17/1078093417.db2.gz NNWORYYXSRDBGK-OAHLLOKOSA-N 1 0 403.483 0.683 20 0 HCADRO CC(C)CN(C(=O)C[NH2+]C(C)(C)CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000916572306 1078093597 /nfs/dbraw/zinc/09/35/97/1078093597.db2.gz AZIUEODTVWQLNA-UHFFFAOYSA-N 1 0 417.510 0.929 20 0 HCADRO CC(C)(CO)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000916572481 1078093486 /nfs/dbraw/zinc/09/34/86/1078093486.db2.gz JQAWGOXJOJSAGW-UHFFFAOYSA-N 1 0 405.904 0.660 20 0 HCADRO CC(C)(CO)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000916572492 1078093498 /nfs/dbraw/zinc/09/34/98/1078093498.db2.gz KDWDWVUAQLCIKC-UHFFFAOYSA-N 1 0 405.904 0.660 20 0 HCADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000916577958 1078094352 /nfs/dbraw/zinc/09/43/52/1078094352.db2.gz OCKADAVCXWNPBD-HNNXBMFYSA-N 1 0 417.535 0.947 20 0 HCADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000916577959 1078094217 /nfs/dbraw/zinc/09/42/17/1078094217.db2.gz OCKADAVCXWNPBD-OAHLLOKOSA-N 1 0 417.535 0.947 20 0 HCADRO COCC[N@H+](C)CCCNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000916582133 1078094627 /nfs/dbraw/zinc/09/46/27/1078094627.db2.gz MTRCKVDCMLHZPA-UHFFFAOYSA-N 1 0 423.539 0.431 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC000916659104 1078119342 /nfs/dbraw/zinc/11/93/42/1078119342.db2.gz HHGHOGMQBUROQI-UHFFFAOYSA-N 1 0 401.460 0.478 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)CC1 ZINC000916672863 1078119229 /nfs/dbraw/zinc/11/92/29/1078119229.db2.gz UWAOYVDEIGJFQU-UHFFFAOYSA-N 1 0 424.505 0.975 20 0 HCADRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000916702902 1078134094 /nfs/dbraw/zinc/13/40/94/1078134094.db2.gz GQVHAGBEUYJDIA-UHFFFAOYSA-N 1 0 420.467 0.962 20 0 HCADRO COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnnn1CC[NH+](C)C ZINC000916702954 1078134168 /nfs/dbraw/zinc/13/41/68/1078134168.db2.gz LGQANEINGNFREK-UHFFFAOYSA-N 1 0 400.486 0.744 20 0 HCADRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000916702963 1078133961 /nfs/dbraw/zinc/13/39/61/1078133961.db2.gz MEGVDYIOVQPCBS-UHFFFAOYSA-N 1 0 420.467 0.962 20 0 HCADRO C[NH+](C)CCn1nnnc1SCC(=O)NC(=O)c1ccc(OC(F)F)cc1 ZINC000916703160 1078134013 /nfs/dbraw/zinc/13/40/13/1078134013.db2.gz XQTWRIKDOTVUCV-UHFFFAOYSA-N 1 0 400.411 0.885 20 0 HCADRO C[NH+](C)CCN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CCCCC1 ZINC000916726309 1078135730 /nfs/dbraw/zinc/13/57/30/1078135730.db2.gz IUBHPRQVWBMCOJ-INIZCTEOSA-N 1 0 412.556 0.875 20 0 HCADRO C[NH+](C)CCN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CCCCC1 ZINC000916726310 1078135710 /nfs/dbraw/zinc/13/57/10/1078135710.db2.gz IUBHPRQVWBMCOJ-MRXNPFEDSA-N 1 0 412.556 0.875 20 0 HCADRO C[NH+](C)CCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC000916744270 1078138119 /nfs/dbraw/zinc/13/81/19/1078138119.db2.gz AICVIQVEVBDDQB-UHFFFAOYSA-N 1 0 406.508 0.313 20 0 HCADRO CC(C)N1C(=O)c2ccc(C(=O)N3CCN(CC[NH+](C)C)CC3)cc2S1(=O)=O ZINC000916744995 1078138217 /nfs/dbraw/zinc/13/82/17/1078138217.db2.gz QSOQSNHPVDKNPW-UHFFFAOYSA-N 1 0 408.524 0.559 20 0 HCADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000916980285 1078182300 /nfs/dbraw/zinc/18/23/00/1078182300.db2.gz HJLMIIGTJUNVNZ-MOPGFXCFSA-N 1 0 422.570 0.807 20 0 HCADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000916980286 1078182489 /nfs/dbraw/zinc/18/24/89/1078182489.db2.gz HJLMIIGTJUNVNZ-OALUTQOASA-N 1 0 422.570 0.807 20 0 HCADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000916980287 1078182863 /nfs/dbraw/zinc/18/28/63/1078182863.db2.gz HJLMIIGTJUNVNZ-RBUKOAKNSA-N 1 0 422.570 0.807 20 0 HCADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000916980288 1078182309 /nfs/dbraw/zinc/18/23/09/1078182309.db2.gz HJLMIIGTJUNVNZ-RTBURBONSA-N 1 0 422.570 0.807 20 0 HCADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000916980364 1078182838 /nfs/dbraw/zinc/18/28/38/1078182838.db2.gz LFWSSKAWRMEHTQ-IBGZPJMESA-N 1 0 422.570 0.808 20 0 HCADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000916980365 1078182545 /nfs/dbraw/zinc/18/25/45/1078182545.db2.gz LFWSSKAWRMEHTQ-LJQANCHMSA-N 1 0 422.570 0.808 20 0 HCADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000916980517 1078182273 /nfs/dbraw/zinc/18/22/73/1078182273.db2.gz RAQZZEYZCDODKA-GOSISDBHSA-N 1 0 408.543 0.418 20 0 HCADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000916980518 1078182788 /nfs/dbraw/zinc/18/27/88/1078182788.db2.gz RAQZZEYZCDODKA-SFHVURJKSA-N 1 0 408.543 0.418 20 0 HCADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000917002875 1078185085 /nfs/dbraw/zinc/18/50/85/1078185085.db2.gz VPWTYJKTLUTTFA-MSOLQXFVSA-N 1 0 400.566 0.921 20 0 HCADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000917002876 1078185698 /nfs/dbraw/zinc/18/56/98/1078185698.db2.gz VPWTYJKTLUTTFA-QZTJIDSGSA-N 1 0 400.566 0.921 20 0 HCADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000917002877 1078185987 /nfs/dbraw/zinc/18/59/87/1078185987.db2.gz VPWTYJKTLUTTFA-ROUUACIJSA-N 1 0 400.566 0.921 20 0 HCADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000917002878 1078185875 /nfs/dbraw/zinc/18/58/75/1078185875.db2.gz VPWTYJKTLUTTFA-ZWKOTPCHSA-N 1 0 400.566 0.921 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000917051804 1078189971 /nfs/dbraw/zinc/18/99/71/1078189971.db2.gz LBXCWCBJVUPHEN-UHFFFAOYSA-N 1 0 401.511 0.135 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(CCOC)CC(=O)N(C)C)cc2)CC1 ZINC000917059918 1078194767 /nfs/dbraw/zinc/19/47/67/1078194767.db2.gz SKKGXDPGVATMMR-UHFFFAOYSA-N 1 0 405.543 0.804 20 0 HCADRO COc1ccc(F)cc1CN1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000917073601 1078201817 /nfs/dbraw/zinc/20/18/17/1078201817.db2.gz BFHSLEDFZAXWAO-UHFFFAOYSA-N 1 0 419.501 0.926 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000917083008 1078202640 /nfs/dbraw/zinc/20/26/40/1078202640.db2.gz DTCVYGHFKOYTRO-UHFFFAOYSA-N 1 0 416.931 0.436 20 0 HCADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000917083191 1078202690 /nfs/dbraw/zinc/20/26/90/1078202690.db2.gz LWPHNJMLLDBQBQ-UHFFFAOYSA-N 1 0 421.299 0.876 20 0 HCADRO COc1ccc(C2N=NC(=S)N2CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000917083442 1078203211 /nfs/dbraw/zinc/20/32/11/1078203211.db2.gz 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IKNTZXHOPJOZMH-UHFFFAOYSA-N 1 0 421.465 0.064 20 0 HCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)cc1 ZINC000918257425 1078377183 /nfs/dbraw/zinc/37/71/83/1078377183.db2.gz JIENTNAAQXFEES-UHFFFAOYSA-N 1 0 409.450 0.858 20 0 HCADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000918259010 1078377338 /nfs/dbraw/zinc/37/73/38/1078377338.db2.gz BZPJRYZWLYPQDB-KRWDZBQOSA-N 1 0 403.527 0.604 20 0 HCADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000918259012 1078377423 /nfs/dbraw/zinc/37/74/23/1078377423.db2.gz BZPJRYZWLYPQDB-QGZVFWFLSA-N 1 0 403.527 0.604 20 0 HCADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918259573 1078377624 /nfs/dbraw/zinc/37/76/24/1078377624.db2.gz IMHFXQHPVVTCJI-HNNXBMFYSA-N 1 0 422.551 0.817 20 0 HCADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918259574 1078377574 /nfs/dbraw/zinc/37/75/74/1078377574.db2.gz IMHFXQHPVVTCJI-OAHLLOKOSA-N 1 0 422.551 0.817 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)[NH+]1CCCC1 ZINC000918259768 1078377703 /nfs/dbraw/zinc/37/77/03/1078377703.db2.gz ACYZSYNQPCQYNI-AWEZNQCLSA-N 1 0 408.524 0.427 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)[NH+]1CCCC1 ZINC000918259769 1078377587 /nfs/dbraw/zinc/37/75/87/1078377587.db2.gz ACYZSYNQPCQYNI-CQSZACIVSA-N 1 0 408.524 0.427 20 0 HCADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1 ZINC000918259972 1078377600 /nfs/dbraw/zinc/37/76/00/1078377600.db2.gz LBWICSBAHAEKEQ-HNNXBMFYSA-N 1 0 422.551 0.674 20 0 HCADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1 ZINC000918259974 1078377681 /nfs/dbraw/zinc/37/76/81/1078377681.db2.gz LBWICSBAHAEKEQ-OAHLLOKOSA-N 1 0 422.551 0.674 20 0 HCADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000918260379 1078377953 /nfs/dbraw/zinc/37/79/53/1078377953.db2.gz MYOCJPFXPYCILX-UHFFFAOYSA-N 1 0 422.551 0.818 20 0 HCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1 ZINC000918260383 1078377973 /nfs/dbraw/zinc/37/79/73/1078377973.db2.gz NAJPDCHBWJRWQX-UHFFFAOYSA-N 1 0 403.483 0.726 20 0 HCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)CC1 ZINC000918260464 1078377932 /nfs/dbraw/zinc/37/79/32/1078377932.db2.gz PARGWSGWGOYLCT-UHFFFAOYSA-N 1 0 409.918 0.734 20 0 HCADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918260497 1078377917 /nfs/dbraw/zinc/37/79/17/1078377917.db2.gz IREGHPBIPBFNGO-HNNXBMFYSA-N 1 0 422.551 0.817 20 0 HCADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918260498 1078377996 /nfs/dbraw/zinc/37/79/96/1078377996.db2.gz IREGHPBIPBFNGO-OAHLLOKOSA-N 1 0 422.551 0.817 20 0 HCADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000918260561 1078377969 /nfs/dbraw/zinc/37/79/69/1078377969.db2.gz KGWDQTYWMHEDQT-IBGZPJMESA-N 1 0 412.490 0.798 20 0 HCADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 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ZINC000918274142 1078380533 /nfs/dbraw/zinc/38/05/33/1078380533.db2.gz QHGXYFKSRHENJI-UHFFFAOYSA-N 1 0 401.511 0.752 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000918285834 1078381458 /nfs/dbraw/zinc/38/14/58/1078381458.db2.gz QYRLGRMKMWEHLS-KRWDZBQOSA-N 1 0 408.524 0.413 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000918285835 1078381557 /nfs/dbraw/zinc/38/15/57/1078381557.db2.gz QYRLGRMKMWEHLS-QGZVFWFLSA-N 1 0 408.524 0.413 20 0 HCADRO CN(C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000918286080 1078381564 /nfs/dbraw/zinc/38/15/64/1078381564.db2.gz WUVXQYPCOFTBET-KRWDZBQOSA-N 1 0 408.524 0.413 20 0 HCADRO CN(C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000918286082 1078381517 /nfs/dbraw/zinc/38/15/17/1078381517.db2.gz WUVXQYPCOFTBET-QGZVFWFLSA-N 1 0 408.524 0.413 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000918290162 1078382428 /nfs/dbraw/zinc/38/24/28/1078382428.db2.gz QFNFQAAQMYZAJI-UHFFFAOYSA-N 1 0 409.494 0.516 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000918290276 1078382451 /nfs/dbraw/zinc/38/24/51/1078382451.db2.gz SUANLYPSOKXDSC-UHFFFAOYSA-N 1 0 423.521 0.906 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000918290431 1078382565 /nfs/dbraw/zinc/38/25/65/1078382565.db2.gz WGQRVFBWDYEGNT-UHFFFAOYSA-N 1 0 423.521 0.906 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000918299250 1078386391 /nfs/dbraw/zinc/38/63/91/1078386391.db2.gz ATSRYMBMCRKNPX-UHFFFAOYSA-N 1 0 413.522 0.848 20 0 HCADRO CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000918299617 1078386379 /nfs/dbraw/zinc/38/63/79/1078386379.db2.gz GXCGBAMQEFMCOY-UHFFFAOYSA-N 1 0 401.511 0.704 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000918299839 1078386361 /nfs/dbraw/zinc/38/63/61/1078386361.db2.gz LJSLOKWNNCYNBG-UHFFFAOYSA-N 1 0 413.522 0.848 20 0 HCADRO CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000918302030 1078383756 /nfs/dbraw/zinc/38/37/56/1078383756.db2.gz OWCCBLOXNLXXJJ-UHFFFAOYSA-N 1 0 401.511 0.704 20 0 HCADRO Cc1nccn1-c1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000918303637 1078383992 /nfs/dbraw/zinc/38/39/92/1078383992.db2.gz CXEBAIWVPQSSRX-UHFFFAOYSA-N 1 0 411.510 0.754 20 0 HCADRO CN(C)C(=O)c1ccccc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000918304899 1078384153 /nfs/dbraw/zinc/38/41/53/1078384153.db2.gz JHINKMLVEAMZNJ-UHFFFAOYSA-N 1 0 401.511 0.567 20 0 HCADRO COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000918304961 1078384171 /nfs/dbraw/zinc/38/41/71/1078384171.db2.gz KYIWQRSMNPYUEO-UHFFFAOYSA-N 1 0 417.510 0.450 20 0 HCADRO O=C(Nc1cccc(N2CCOC2=O)c1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000918305363 1078384421 /nfs/dbraw/zinc/38/44/21/1078384421.db2.gz NLIVXZRSCAKUPO-UHFFFAOYSA-N 1 0 415.494 0.822 20 0 HCADRO O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000918305807 1078384399 /nfs/dbraw/zinc/38/43/99/1078384399.db2.gz RHTDCINBNXMHPH-UHFFFAOYSA-N 1 0 415.538 0.702 20 0 HCADRO O=C(Nc1ccc(N2CCOC2=O)cc1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000918306276 1078384446 /nfs/dbraw/zinc/38/44/46/1078384446.db2.gz YXBNIDDXDNYPKV-UHFFFAOYSA-N 1 0 415.494 0.822 20 0 HCADRO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000918312229 1078385070 /nfs/dbraw/zinc/38/50/70/1078385070.db2.gz NFNVVXLXLMGJQQ-UHFFFAOYSA-N 1 0 408.462 0.305 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC(C(=O)NC)CC3)cc2)CC1 ZINC000918315267 1078385521 /nfs/dbraw/zinc/38/55/21/1078385521.db2.gz ANVYWEJNZGAWDO-UHFFFAOYSA-N 1 0 401.511 0.752 20 0 HCADRO CNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000918316082 1078385059 /nfs/dbraw/zinc/38/50/59/1078385059.db2.gz JKFOCSRJDRILQR-UHFFFAOYSA-N 1 0 401.511 0.752 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCCN(C(C)=O)CC3)cc2)CC1 ZINC000918316103 1078385480 /nfs/dbraw/zinc/38/54/80/1078385480.db2.gz KDCROECATAPCHQ-UHFFFAOYSA-N 1 0 401.511 0.848 20 0 HCADRO CC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000918316145 1078389640 /nfs/dbraw/zinc/38/96/40/1078389640.db2.gz MGYWUBCVZYWGBK-UHFFFAOYSA-N 1 0 401.511 0.848 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(F)cc1 ZINC000918346708 1078392209 /nfs/dbraw/zinc/39/22/09/1078392209.db2.gz BUWZPRKXLZFDHG-DOTOQJQBSA-N 1 0 424.498 0.710 20 0 HCADRO C[NH+](C)[C@H](CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(F)cc1 ZINC000918346709 1078392437 /nfs/dbraw/zinc/39/24/37/1078392437.db2.gz BUWZPRKXLZFDHG-NVXWUHKLSA-N 1 0 424.498 0.710 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(F)cc1 ZINC000918346710 1078392442 /nfs/dbraw/zinc/39/24/42/1078392442.db2.gz BUWZPRKXLZFDHG-RDJZCZTQSA-N 1 0 424.498 0.710 20 0 HCADRO C[NH+](C)[C@@H](CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(F)cc1 ZINC000918346711 1078392404 /nfs/dbraw/zinc/39/24/04/1078392404.db2.gz BUWZPRKXLZFDHG-WBVHZDCISA-N 1 0 424.498 0.710 20 0 HCADRO COc1cccc(C[NH+]2CCC(NC(=O)Cn3cnc4c(cnn4C)c3=O)CC2)c1 ZINC000918350099 1078393117 /nfs/dbraw/zinc/39/31/17/1078393117.db2.gz BGFUQSNXTAFMHA-UHFFFAOYSA-N 1 0 410.478 0.919 20 0 HCADRO COc1cccc(C[NH+]2CCC(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000918354294 1078393856 /nfs/dbraw/zinc/39/38/56/1078393856.db2.gz CCWBTHHBAKGBCE-GOSISDBHSA-N 1 0 409.552 0.895 20 0 HCADRO COc1cccc(C[NH+]2CCC(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000918354296 1078393900 /nfs/dbraw/zinc/39/39/00/1078393900.db2.gz CCWBTHHBAKGBCE-SFHVURJKSA-N 1 0 409.552 0.895 20 0 HCADRO COCCN1C(=O)c2ccc(C(=O)NCCNc3cc[nH+]cc3)cc2S1(=O)=O ZINC000918354985 1078394021 /nfs/dbraw/zinc/39/40/21/1078394021.db2.gz IQDTWXGYSZZWFC-UHFFFAOYSA-N 1 0 404.448 0.136 20 0 HCADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000918355380 1078394120 /nfs/dbraw/zinc/39/41/20/1078394120.db2.gz NKHLWUJMRNFROB-UHFFFAOYSA-N 1 0 412.899 0.924 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000918355596 1078394090 /nfs/dbraw/zinc/39/40/90/1078394090.db2.gz RHXPVDHYLPXYDR-UHFFFAOYSA-N 1 0 413.503 0.893 20 0 HCADRO COc1cccc(C[NH+]2CCC(NC(=O)CNS(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000918355684 1078394035 /nfs/dbraw/zinc/39/40/35/1078394035.db2.gz UMIFZEITCOLDGE-UHFFFAOYSA-N 1 0 421.523 0.488 20 0 HCADRO O=C(NCCNc1cc[nH+]cc1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000918356172 1078394343 /nfs/dbraw/zinc/39/43/43/1078394343.db2.gz ZTNFLAYIEZCZJP-UHFFFAOYSA-N 1 0 403.489 0.957 20 0 HCADRO CN(c1ccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1)C1CC[NH+](C)CC1 ZINC000918356725 1078394309 /nfs/dbraw/zinc/39/43/09/1078394309.db2.gz OTBPAPBCWGXPMR-UHFFFAOYSA-N 1 0 420.539 0.868 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000918377201 1078397502 /nfs/dbraw/zinc/39/75/02/1078397502.db2.gz KFJPDYOVJWKXNQ-DLBZAZTESA-N 1 0 420.535 0.441 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000918377205 1078397544 /nfs/dbraw/zinc/39/75/44/1078397544.db2.gz KFJPDYOVJWKXNQ-IAGOWNOFSA-N 1 0 420.535 0.441 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000918377207 1078397570 /nfs/dbraw/zinc/39/75/70/1078397570.db2.gz KFJPDYOVJWKXNQ-IRXDYDNUSA-N 1 0 420.535 0.441 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000918377209 1078397591 /nfs/dbraw/zinc/39/75/91/1078397591.db2.gz KFJPDYOVJWKXNQ-SJORKVTESA-N 1 0 420.535 0.441 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN(c4cnccn4)CC3)cc2)CC1 ZINC000918400877 1078405845 /nfs/dbraw/zinc/40/58/45/1078405845.db2.gz OELTYNHFMWMZKX-UHFFFAOYSA-N 1 0 423.521 0.906 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000918400878 1078405854 /nfs/dbraw/zinc/40/58/54/1078405854.db2.gz OGHQJBVCTQRIIR-UHFFFAOYSA-N 1 0 409.494 0.516 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN(c4cnccn4)CC3)cc2)CC1 ZINC000918401069 1078406305 /nfs/dbraw/zinc/40/63/05/1078406305.db2.gz RXUYSHIUJDDBFF-UHFFFAOYSA-N 1 0 423.521 0.906 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)Cc3nnc4n3CCC4)cc2)CC1 ZINC000918401249 1078406402 /nfs/dbraw/zinc/40/64/02/1078406402.db2.gz HGACPWUZXDNJBD-UHFFFAOYSA-N 1 0 411.510 0.963 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000918407471 1078409688 /nfs/dbraw/zinc/40/96/88/1078409688.db2.gz BRFHUKSLUOTRPK-UHFFFAOYSA-N 1 0 413.522 0.894 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000918408027 1078409670 /nfs/dbraw/zinc/40/96/70/1078409670.db2.gz DWWSJJDCAGDWQE-UHFFFAOYSA-N 1 0 424.523 0.894 20 0 HCADRO COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000918409522 1078410983 /nfs/dbraw/zinc/41/09/83/1078410983.db2.gz OUXWITDTWIUFRJ-UHFFFAOYSA-N 1 0 417.510 0.084 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)COC)CC3)cc2)CC1 ZINC000918410432 1078411344 /nfs/dbraw/zinc/41/13/44/1078411344.db2.gz YZZYLVJSBBFGPE-UHFFFAOYSA-N 1 0 417.510 0.084 20 0 HCADRO O=C(Nc1ccc(-n2nccn2)nc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000918411810 1078411696 /nfs/dbraw/zinc/41/16/96/1078411696.db2.gz MKQBMEPMKDECMN-UHFFFAOYSA-N 1 0 406.450 0.777 20 0 HCADRO COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000918412397 1078411994 /nfs/dbraw/zinc/41/19/94/1078411994.db2.gz AVNHNFWXRFPEMI-GOSISDBHSA-N 1 0 418.494 0.923 20 0 HCADRO COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000918412398 1078411933 /nfs/dbraw/zinc/41/19/33/1078411933.db2.gz AVNHNFWXRFPEMI-SFHVURJKSA-N 1 0 418.494 0.923 20 0 HCADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)cc1 ZINC000918413486 1078412925 /nfs/dbraw/zinc/41/29/25/1078412925.db2.gz BJCIDDOSZNTNMC-UHFFFAOYSA-N 1 0 409.450 0.858 20 0 HCADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)c1 ZINC000918414743 1078413333 /nfs/dbraw/zinc/41/33/33/1078413333.db2.gz KUGCDBXWLIPPOH-UHFFFAOYSA-N 1 0 409.450 0.858 20 0 HCADRO CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000918419186 1078418906 /nfs/dbraw/zinc/41/89/06/1078418906.db2.gz AWZOQFJSODBWKZ-UHFFFAOYSA-N 1 0 402.499 0.203 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)N(C)C)CC3)cc2)CC1 ZINC000918419858 1078419321 /nfs/dbraw/zinc/41/93/21/1078419321.db2.gz NNOCFQMJOIAFLN-UHFFFAOYSA-N 1 0 416.526 0.593 20 0 HCADRO CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000918419880 1078419350 /nfs/dbraw/zinc/41/93/50/1078419350.db2.gz OIRFMMLZEODSIR-UHFFFAOYSA-N 1 0 416.526 0.593 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000918420105 1078419585 /nfs/dbraw/zinc/41/95/85/1078419585.db2.gz CCZQLKXHXPZAER-UHFFFAOYSA-N 1 0 412.512 0.607 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCC(=O)N2CCCCC2)CC1 ZINC000918420225 1078419328 /nfs/dbraw/zinc/41/93/28/1078419328.db2.gz PSOQWWJJLVLEEE-UHFFFAOYSA-N 1 0 401.511 0.896 20 0 HCADRO O=C(Nc1ccc(-n2nccn2)nc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000918420391 1078419614 /nfs/dbraw/zinc/41/96/14/1078419614.db2.gz WBTNWKJCNAMNLK-UHFFFAOYSA-N 1 0 406.450 0.777 20 0 HCADRO COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000918421011 1078419911 /nfs/dbraw/zinc/41/99/11/1078419911.db2.gz MBGLAPDWMJQRMQ-UHFFFAOYSA-N 1 0 418.494 0.781 20 0 HCADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000918421388 1078419960 /nfs/dbraw/zinc/41/99/60/1078419960.db2.gz QFJQQSAIRJCMEH-UHFFFAOYSA-N 1 0 422.551 0.626 20 0 HCADRO CN(C)C(=O)c1ccccc1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000918421829 1078420431 /nfs/dbraw/zinc/42/04/31/1078420431.db2.gz XMDNFQGGHPJQTF-UHFFFAOYSA-N 1 0 402.495 0.898 20 0 HCADRO CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000918422921 1078420500 /nfs/dbraw/zinc/42/05/00/1078420500.db2.gz ANRSRVWHYRFBDN-GOSISDBHSA-N 1 0 401.511 0.894 20 0 HCADRO CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000918422925 1078420523 /nfs/dbraw/zinc/42/05/23/1078420523.db2.gz ANRSRVWHYRFBDN-SFHVURJKSA-N 1 0 401.511 0.894 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](NC(C)=O)C3)cc2)CC1 ZINC000918423068 1078421010 /nfs/dbraw/zinc/42/10/10/1078421010.db2.gz CBKZVVRYGXNVCH-GOSISDBHSA-N 1 0 401.511 0.894 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](NC(C)=O)C3)cc2)CC1 ZINC000918423069 1078420966 /nfs/dbraw/zinc/42/09/66/1078420966.db2.gz CBKZVVRYGXNVCH-SFHVURJKSA-N 1 0 401.511 0.894 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](O)COCC(C)C)cc2)CC1 ZINC000918423272 1078420571 /nfs/dbraw/zinc/42/05/71/1078420571.db2.gz KDQDQWOKWKTPNK-IBGZPJMESA-N 1 0 406.527 0.917 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)COCC(C)C)cc2)CC1 ZINC000918423276 1078420548 /nfs/dbraw/zinc/42/05/48/1078420548.db2.gz KDQDQWOKWKTPNK-LJQANCHMSA-N 1 0 406.527 0.917 20 0 HCADRO CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000918424512 1078421918 /nfs/dbraw/zinc/42/19/18/1078421918.db2.gz VHLAXPGWTAFMLJ-IBGZPJMESA-N 1 0 406.527 0.917 20 0 HCADRO CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000918424519 1078421876 /nfs/dbraw/zinc/42/18/76/1078421876.db2.gz VHLAXPGWTAFMLJ-LJQANCHMSA-N 1 0 406.527 0.917 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCNC(=O)c2cccs2)CC1 ZINC000918428539 1078424367 /nfs/dbraw/zinc/42/43/67/1078424367.db2.gz LIGFCLBFFXUPTA-UHFFFAOYSA-N 1 0 415.519 0.985 20 0 HCADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC(CC(N)=O)CC3)cc2)CC1 ZINC000918428737 1078414533 /nfs/dbraw/zinc/41/45/33/1078414533.db2.gz AITPERBIXPQXBK-UHFFFAOYSA-N 1 0 401.511 0.881 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000918429203 1078414829 /nfs/dbraw/zinc/41/48/29/1078414829.db2.gz APPNYZVCUXXNEP-UHFFFAOYSA-N 1 0 424.523 0.798 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC(CC(N)=O)CC3)cc2)CC1 ZINC000918431203 1078415086 /nfs/dbraw/zinc/41/50/86/1078415086.db2.gz PLZRWGXXSVOZTN-UHFFFAOYSA-N 1 0 401.511 0.881 20 0 HCADRO COc1cc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c(C(=O)N(C)C)cc1OC ZINC000918432841 1078415812 /nfs/dbraw/zinc/41/58/12/1078415812.db2.gz BGFSGPUULVEJEV-UHFFFAOYSA-N 1 0 406.483 0.897 20 0 HCADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 ZINC000918433095 1078415869 /nfs/dbraw/zinc/41/58/69/1078415869.db2.gz IMEUUSPSSOHXDR-UHFFFAOYSA-N 1 0 407.902 0.767 20 0 HCADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918433303 1078415806 /nfs/dbraw/zinc/41/58/06/1078415806.db2.gz CULOJBPNFILOAV-INIZCTEOSA-N 1 0 424.567 0.919 20 0 HCADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918433304 1078415825 /nfs/dbraw/zinc/41/58/25/1078415825.db2.gz CULOJBPNFILOAV-MRXNPFEDSA-N 1 0 424.567 0.919 20 0 HCADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000918433548 1078416308 /nfs/dbraw/zinc/41/63/08/1078416308.db2.gz NWMPXYZODRRMJZ-UHFFFAOYSA-N 1 0 408.524 0.379 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000918434546 1078416316 /nfs/dbraw/zinc/41/63/16/1078416316.db2.gz NHFFSRIBYHTHKW-HNNXBMFYSA-N 1 0 414.528 0.900 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000918434547 1078416608 /nfs/dbraw/zinc/41/66/08/1078416608.db2.gz NHFFSRIBYHTHKW-OAHLLOKOSA-N 1 0 414.528 0.900 20 0 HCADRO Cn1cnnc1C1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000918435248 1078416947 /nfs/dbraw/zinc/41/69/47/1078416947.db2.gz GVGTXLDZDRNIAP-UHFFFAOYSA-N 1 0 411.510 0.912 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3(C(N)=O)CCOCC3)cc2)CC1 ZINC000918436593 1078418694 /nfs/dbraw/zinc/41/86/94/1078418694.db2.gz MYRPXKGJXPMQFN-UHFFFAOYSA-N 1 0 417.510 0.165 20 0 HCADRO Cn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000918437283 1078418530 /nfs/dbraw/zinc/41/85/30/1078418530.db2.gz AURHBGKPWGPDCI-INIZCTEOSA-N 1 0 411.510 0.912 20 0 HCADRO Cn1cnnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000918437285 1078418634 /nfs/dbraw/zinc/41/86/34/1078418634.db2.gz AURHBGKPWGPDCI-MRXNPFEDSA-N 1 0 411.510 0.912 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000918445576 1078425355 /nfs/dbraw/zinc/42/53/55/1078425355.db2.gz FKTBJZWEMZKBEY-AWEZNQCLSA-N 1 0 412.512 0.655 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000918445578 1078425317 /nfs/dbraw/zinc/42/53/17/1078425317.db2.gz FKTBJZWEMZKBEY-CQSZACIVSA-N 1 0 412.512 0.655 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000918445617 1078425299 /nfs/dbraw/zinc/42/52/99/1078425299.db2.gz GPOMYCYALSHPPU-KRWDZBQOSA-N 1 0 423.521 0.952 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000918445618 1078425323 /nfs/dbraw/zinc/42/53/23/1078425323.db2.gz GPOMYCYALSHPPU-QGZVFWFLSA-N 1 0 423.521 0.952 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000918446778 1078425629 /nfs/dbraw/zinc/42/56/29/1078425629.db2.gz AQXFWBLGCZKZGW-INIZCTEOSA-N 1 0 422.551 0.660 20 0 HCADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000918446779 1078425672 /nfs/dbraw/zinc/42/56/72/1078425672.db2.gz AQXFWBLGCZKZGW-MRXNPFEDSA-N 1 0 422.551 0.660 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000918449631 1078426288 /nfs/dbraw/zinc/42/62/88/1078426288.db2.gz SOHSKDCKDKWUBT-INIZCTEOSA-N 1 0 424.523 0.894 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000918449632 1078426259 /nfs/dbraw/zinc/42/62/59/1078426259.db2.gz SOHSKDCKDKWUBT-MRXNPFEDSA-N 1 0 424.523 0.894 20 0 HCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)[NH+]1CCCC1 ZINC000918451460 1078427217 /nfs/dbraw/zinc/42/72/17/1078427217.db2.gz OGOJURFNOOVQAK-GOSISDBHSA-N 1 0 401.511 0.798 20 0 HCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)[NH+]1CCCC1 ZINC000918451461 1078427274 /nfs/dbraw/zinc/42/72/74/1078427274.db2.gz OGOJURFNOOVQAK-SFHVURJKSA-N 1 0 401.511 0.798 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3cnn(CC(=O)NC)c3)cc2)CC1 ZINC000918451554 1078427616 /nfs/dbraw/zinc/42/76/16/1078427616.db2.gz AXVQJCGUYHVXLC-UHFFFAOYSA-N 1 0 413.482 0.348 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)OC)CC3)cc2)CC1 ZINC000918453321 1078428538 /nfs/dbraw/zinc/42/85/38/1078428538.db2.gz OLNZMDLDTQWPTD-UHFFFAOYSA-N 1 0 403.483 0.678 20 0 HCADRO COC(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000918453638 1078428873 /nfs/dbraw/zinc/42/88/73/1078428873.db2.gz URDBWWROPDTZJG-UHFFFAOYSA-N 1 0 403.483 0.678 20 0 HCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)OC)CC3)cc2)CC1 ZINC000918453876 1078428880 /nfs/dbraw/zinc/42/88/80/1078428880.db2.gz WCEMUVHGGUBLHD-UHFFFAOYSA-N 1 0 417.510 0.673 20 0 HCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)OC)CC3)c(C)c2)CC1 ZINC000918453922 1078428886 /nfs/dbraw/zinc/42/88/86/1078428886.db2.gz YFMPUDGHAABVKZ-UHFFFAOYSA-N 1 0 417.510 0.986 20 0 HCADRO CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000918462304 1078433203 /nfs/dbraw/zinc/43/32/03/1078433203.db2.gz HMIHJCLACBOQFN-UHFFFAOYSA-N 1 0 401.511 0.848 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000918464657 1078434954 /nfs/dbraw/zinc/43/49/54/1078434954.db2.gz DRHFRYIJAARFNF-HNNXBMFYSA-N 1 0 418.494 0.447 20 0 HCADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000918464661 1078434926 /nfs/dbraw/zinc/43/49/26/1078434926.db2.gz DRHFRYIJAARFNF-OAHLLOKOSA-N 1 0 418.494 0.447 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000918465091 1078434860 /nfs/dbraw/zinc/43/48/60/1078434860.db2.gz JXSUAZBGEOUISJ-HNNXBMFYSA-N 1 0 418.494 0.909 20 0 HCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000918465093 1078434949 /nfs/dbraw/zinc/43/49/49/1078434949.db2.gz JXSUAZBGEOUISJ-OAHLLOKOSA-N 1 0 418.494 0.909 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000918465695 1078436044 /nfs/dbraw/zinc/43/60/44/1078436044.db2.gz QQJQMUAPESPZTO-AWEZNQCLSA-N 1 0 404.467 0.519 20 0 HCADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000918465696 1078436339 /nfs/dbraw/zinc/43/63/39/1078436339.db2.gz QQJQMUAPESPZTO-CQSZACIVSA-N 1 0 404.467 0.519 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000918466721 1078436563 /nfs/dbraw/zinc/43/65/63/1078436563.db2.gz BEHAFXPXPMQVOK-AWEZNQCLSA-N 1 0 412.512 0.798 20 0 HCADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000918466722 1078436650 /nfs/dbraw/zinc/43/66/50/1078436650.db2.gz BEHAFXPXPMQVOK-CQSZACIVSA-N 1 0 412.512 0.798 20 0 HCADRO C[C@@H](CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)[NH+]1CCCCC1 ZINC000918467032 1078436689 /nfs/dbraw/zinc/43/66/89/1078436689.db2.gz GAYJFKJABIQAMT-HNNXBMFYSA-N 1 0 422.551 0.817 20 0 HCADRO C[C@H](CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)[NH+]1CCCCC1 ZINC000918467033 1078436582 /nfs/dbraw/zinc/43/65/82/1078436582.db2.gz GAYJFKJABIQAMT-OAHLLOKOSA-N 1 0 422.551 0.817 20 0 HCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000918468582 1078436904 /nfs/dbraw/zinc/43/69/04/1078436904.db2.gz LRMLCCUNZCTUGF-IBGZPJMESA-N 1 0 423.517 0.850 20 0 HCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000918468588 1078436908 /nfs/dbraw/zinc/43/69/08/1078436908.db2.gz LRMLCCUNZCTUGF-LJQANCHMSA-N 1 0 423.517 0.850 20 0 HCADRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)C1 ZINC000918476499 1078440563 /nfs/dbraw/zinc/44/05/63/1078440563.db2.gz FYQFIRUVKXKSCI-CYBMUJFWSA-N 1 0 406.483 0.945 20 0 HCADRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)C1 ZINC000918476500 1078440555 /nfs/dbraw/zinc/44/05/55/1078440555.db2.gz FYQFIRUVKXKSCI-ZDUSSCGKSA-N 1 0 406.483 0.945 20 0 HCADRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1 ZINC000918477104 1078440862 /nfs/dbraw/zinc/44/08/62/1078440862.db2.gz RRBJUHGGURZRDM-HNNXBMFYSA-N 1 0 408.524 0.427 20 0 HCADRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1 ZINC000918477105 1078440942 /nfs/dbraw/zinc/44/09/42/1078440942.db2.gz RRBJUHGGURZRDM-OAHLLOKOSA-N 1 0 408.524 0.427 20 0 HCADRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1 ZINC000918477130 1078440950 /nfs/dbraw/zinc/44/09/50/1078440950.db2.gz STYGJVVTFBNQOJ-AWEZNQCLSA-N 1 0 407.902 0.815 20 0 HCADRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1 ZINC000918477131 1078440848 /nfs/dbraw/zinc/44/08/48/1078440848.db2.gz STYGJVVTFBNQOJ-CQSZACIVSA-N 1 0 407.902 0.815 20 0 HCADRO C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000918552175 1078463233 /nfs/dbraw/zinc/46/32/33/1078463233.db2.gz OQVBYCMKTOLBCG-HNNXBMFYSA-N 1 0 407.492 0.788 20 0 HCADRO C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000918552176 1078463194 /nfs/dbraw/zinc/46/31/94/1078463194.db2.gz OQVBYCMKTOLBCG-OAHLLOKOSA-N 1 0 407.492 0.788 20 0 HCADRO C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC000918556170 1078461303 /nfs/dbraw/zinc/46/13/03/1078461303.db2.gz KOVQEKOSRBAKEA-UHFFFAOYSA-N 1 0 406.508 0.361 20 0 HCADRO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000918556839 1078461602 /nfs/dbraw/zinc/46/16/02/1078461602.db2.gz ONQXGRURDHPJBD-HNNXBMFYSA-N 1 0 407.492 0.836 20 0 HCADRO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000918556840 1078461583 /nfs/dbraw/zinc/46/15/83/1078461583.db2.gz ONQXGRURDHPJBD-OAHLLOKOSA-N 1 0 407.492 0.836 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1 ZINC000918576764 1078469808 /nfs/dbraw/zinc/46/98/08/1078469808.db2.gz ADKNERDAHZMWPQ-HNNXBMFYSA-N 1 0 415.494 0.716 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1 ZINC000918576765 1078469909 /nfs/dbraw/zinc/46/99/09/1078469909.db2.gz ADKNERDAHZMWPQ-OAHLLOKOSA-N 1 0 415.494 0.716 20 0 HCADRO COC(=O)C1CC[NH+](CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000918578253 1078470124 /nfs/dbraw/zinc/47/01/24/1078470124.db2.gz TZQHEPUSJJYLKR-UHFFFAOYSA-N 1 0 423.491 0.222 20 0 HCADRO COCCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2S1(=O)=O ZINC000918581430 1078474019 /nfs/dbraw/zinc/47/40/19/1078474019.db2.gz PERYHTSXFBABGJ-CVEARBPZSA-N 1 0 407.492 0.834 20 0 HCADRO COCCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2S1(=O)=O ZINC000918581433 1078473934 /nfs/dbraw/zinc/47/39/34/1078473934.db2.gz PERYHTSXFBABGJ-HOTGVXAUSA-N 1 0 407.492 0.834 20 0 HCADRO COCCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2S1(=O)=O ZINC000918581711 1078473924 /nfs/dbraw/zinc/47/39/24/1078473924.db2.gz PERYHTSXFBABGJ-HZPDHXFCSA-N 1 0 407.492 0.834 20 0 HCADRO COCCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2S1(=O)=O ZINC000918581712 1078473996 /nfs/dbraw/zinc/47/39/96/1078473996.db2.gz PERYHTSXFBABGJ-JKSUJKDBSA-N 1 0 407.492 0.834 20 0 HCADRO O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000918591671 1078485243 /nfs/dbraw/zinc/48/52/43/1078485243.db2.gz ZNKVATPFGPQNKD-UHFFFAOYSA-N 1 0 407.492 0.402 20 0 HCADRO CCN1CCN(CC(=O)NC2CC[NH+](Cc3cccc(OC)c3)CC2)C(=O)C1=O ZINC000918653618 1078525064 /nfs/dbraw/zinc/52/50/64/1078525064.db2.gz NIUGCMYZFKFFIM-UHFFFAOYSA-N 1 0 402.495 0.467 20 0 HCADRO COc1cccc(C[NH+]2CCC(NC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)CC2)c1 ZINC000918653623 1078525110 /nfs/dbraw/zinc/52/51/10/1078525110.db2.gz ODMGRZZYPXKODA-FPLPWBNLSA-N 1 0 412.490 0.887 20 0 HCADRO COc1cccc(C[NH+]2CCC(NC(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c1 ZINC000918654006 1078532131 /nfs/dbraw/zinc/53/21/31/1078532131.db2.gz UFPYZEAUBQZPMX-UHFFFAOYSA-N 1 0 410.540 0.691 20 0 HCADRO CCN1CCN(CC(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)C(=O)C1=O ZINC000918655516 1078533279 /nfs/dbraw/zinc/53/32/79/1078533279.db2.gz MNBCPSILOCIGKD-UHFFFAOYSA-N 1 0 401.511 0.846 20 0 HCADRO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000918695794 1078551177 /nfs/dbraw/zinc/55/11/77/1078551177.db2.gz DZTGJFXURITQNI-INIZCTEOSA-N 1 0 410.540 0.629 20 0 HCADRO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000918695795 1078551267 /nfs/dbraw/zinc/55/12/67/1078551267.db2.gz DZTGJFXURITQNI-MRXNPFEDSA-N 1 0 410.540 0.629 20 0 HCADRO C[NH+]1CCN(Cc2ccc(CNC(=O)CS[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000918696466 1078542915 /nfs/dbraw/zinc/54/29/15/1078542915.db2.gz UTCQSRSGACNBLP-GOSISDBHSA-N 1 0 411.593 0.971 20 0 HCADRO C[NH+]1CCN(Cc2ccc(CNC(=O)CS[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000918696467 1078543263 /nfs/dbraw/zinc/54/32/63/1078543263.db2.gz UTCQSRSGACNBLP-SFHVURJKSA-N 1 0 411.593 0.971 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1 ZINC000918698114 1078544515 /nfs/dbraw/zinc/54/45/15/1078544515.db2.gz AMMNPVVXLSZEKY-INIZCTEOSA-N 1 0 412.556 0.872 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1 ZINC000918698115 1078544694 /nfs/dbraw/zinc/54/46/94/1078544694.db2.gz AMMNPVVXLSZEKY-MRXNPFEDSA-N 1 0 412.556 0.872 20 0 HCADRO C[C@@H](CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C[NH+]1CCN(C)CC1 ZINC000918698406 1078544413 /nfs/dbraw/zinc/54/44/13/1078544413.db2.gz DGFILTICSDGVKB-AOMKIAJQSA-N 1 0 413.522 0.380 20 0 HCADRO C[C@@H](CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C[NH+]1CCN(C)CC1 ZINC000918698409 1078544742 /nfs/dbraw/zinc/54/47/42/1078544742.db2.gz DGFILTICSDGVKB-KSFYIVLOSA-N 1 0 413.522 0.380 20 0 HCADRO C[C@H](CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C[NH+]1CCN(C)CC1 ZINC000918698412 1078544355 /nfs/dbraw/zinc/54/43/55/1078544355.db2.gz DGFILTICSDGVKB-OPAMFIHVSA-N 1 0 413.522 0.380 20 0 HCADRO C[C@H](CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C[NH+]1CCN(C)CC1 ZINC000918698415 1078544378 /nfs/dbraw/zinc/54/43/78/1078544378.db2.gz DGFILTICSDGVKB-ZHRRBRCNSA-N 1 0 413.522 0.380 20 0 HCADRO C[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000918698418 1078544328 /nfs/dbraw/zinc/54/43/28/1078544328.db2.gz DHRUUMJTHRFLLI-HRAATJIYSA-N 1 0 401.511 0.453 20 0 HCADRO C[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000918698421 1078544610 /nfs/dbraw/zinc/54/46/10/1078544610.db2.gz DHRUUMJTHRFLLI-IERDGZPVSA-N 1 0 401.511 0.453 20 0 HCADRO C[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000918698423 1078544472 /nfs/dbraw/zinc/54/44/72/1078544472.db2.gz DHRUUMJTHRFLLI-IIBYNOLFSA-N 1 0 401.511 0.453 20 0 HCADRO C[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000918698424 1078544554 /nfs/dbraw/zinc/54/45/54/1078544554.db2.gz DHRUUMJTHRFLLI-KKSFZXQISA-N 1 0 401.511 0.453 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000918698452 1078544673 /nfs/dbraw/zinc/54/46/73/1078544673.db2.gz DXFQIVNQVFNHRB-HTAPYJJXSA-N 1 0 415.538 0.843 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000918698453 1078544582 /nfs/dbraw/zinc/54/45/82/1078544582.db2.gz DXFQIVNQVFNHRB-JTSKRJEESA-N 1 0 415.538 0.843 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000918698454 1078545386 /nfs/dbraw/zinc/54/53/86/1078545386.db2.gz DXFQIVNQVFNHRB-VGOFRKELSA-N 1 0 415.538 0.843 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000918698456 1078545044 /nfs/dbraw/zinc/54/50/44/1078545044.db2.gz DXFQIVNQVFNHRB-VGSWGCGISA-N 1 0 415.538 0.843 20 0 HCADRO C[C@@H](CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C[NH+]1CCN(C)CC1 ZINC000918698496 1078545463 /nfs/dbraw/zinc/54/54/63/1078545463.db2.gz GIKPVAQVFRNYRA-HNNXBMFYSA-N 1 0 407.540 0.067 20 0 HCADRO C[C@H](CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C[NH+]1CCN(C)CC1 ZINC000918698497 1078545095 /nfs/dbraw/zinc/54/50/95/1078545095.db2.gz GIKPVAQVFRNYRA-OAHLLOKOSA-N 1 0 407.540 0.067 20 0 HCADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000918698795 1078545443 /nfs/dbraw/zinc/54/54/43/1078545443.db2.gz IWRMZPJASNDEAT-INIZCTEOSA-N 1 0 421.567 0.457 20 0 HCADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000918698796 1078545330 /nfs/dbraw/zinc/54/53/30/1078545330.db2.gz IWRMZPJASNDEAT-MRXNPFEDSA-N 1 0 421.567 0.457 20 0 HCADRO CON(C)S(=O)(=O)c1cccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000918699198 1078545125 /nfs/dbraw/zinc/54/51/25/1078545125.db2.gz BTNHIOLFIFASCM-UHFFFAOYSA-N 1 0 412.556 0.967 20 0 HCADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000918699274 1078545422 /nfs/dbraw/zinc/54/54/22/1078545422.db2.gz OTFLRFSPOYYGJO-CYBMUJFWSA-N 1 0 402.948 0.861 20 0 HCADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000918699275 1078545190 /nfs/dbraw/zinc/54/51/90/1078545190.db2.gz OTFLRFSPOYYGJO-ZDUSSCGKSA-N 1 0 402.948 0.861 20 0 HCADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000918699284 1078545356 /nfs/dbraw/zinc/54/53/56/1078545356.db2.gz PMYDJKXXYAYHBG-HTAPYJJXSA-N 1 0 415.538 0.762 20 0 HCADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000918699285 1078545253 /nfs/dbraw/zinc/54/52/53/1078545253.db2.gz PMYDJKXXYAYHBG-JTSKRJEESA-N 1 0 415.538 0.762 20 0 HCADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000918699286 1078545066 /nfs/dbraw/zinc/54/50/66/1078545066.db2.gz PMYDJKXXYAYHBG-VGOFRKELSA-N 1 0 415.538 0.762 20 0 HCADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000918699287 1078545274 /nfs/dbraw/zinc/54/52/74/1078545274.db2.gz PMYDJKXXYAYHBG-VGSWGCGISA-N 1 0 415.538 0.762 20 0 HCADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)n(C)c1 ZINC000918699362 1078545014 /nfs/dbraw/zinc/54/50/14/1078545014.db2.gz RCBAVLZYENOKJY-INIZCTEOSA-N 1 0 413.588 0.669 20 0 HCADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)n(C)c1 ZINC000918699364 1078545302 /nfs/dbraw/zinc/54/53/02/1078545302.db2.gz RCBAVLZYENOKJY-MRXNPFEDSA-N 1 0 413.588 0.669 20 0 HCADRO C[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000918699635 1078545223 /nfs/dbraw/zinc/54/52/23/1078545223.db2.gz VDJOXWUYCZFYAC-BTYIYWSLSA-N 1 0 419.501 0.592 20 0 HCADRO C[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000918699638 1078545167 /nfs/dbraw/zinc/54/51/67/1078545167.db2.gz VDJOXWUYCZFYAC-QVKFZJNVSA-N 1 0 419.501 0.592 20 0 HCADRO C[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000918699641 1078545813 /nfs/dbraw/zinc/54/58/13/1078545813.db2.gz VDJOXWUYCZFYAC-VFNWGFHPSA-N 1 0 419.501 0.592 20 0 HCADRO C[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000918699643 1078545916 /nfs/dbraw/zinc/54/59/16/1078545916.db2.gz VDJOXWUYCZFYAC-YCRPNKLZSA-N 1 0 419.501 0.592 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000918700001 1078545888 /nfs/dbraw/zinc/54/58/88/1078545888.db2.gz SXGZEESATCCSOY-JOCHJYFZSA-N 1 0 415.538 0.938 20 0 HCADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000918700003 1078545868 /nfs/dbraw/zinc/54/58/68/1078545868.db2.gz SXGZEESATCCSOY-QFIPXVFZSA-N 1 0 415.538 0.938 20 0 HCADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000918700087 1078545768 /nfs/dbraw/zinc/54/57/68/1078545768.db2.gz WSVCTJYLWBREBK-UHFFFAOYSA-N 1 0 421.567 0.552 20 0 HCADRO CC(C)[N@H+](C)CC1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000918700781 1078545788 /nfs/dbraw/zinc/54/57/88/1078545788.db2.gz COCOHTGPYMKZBC-INIZCTEOSA-N 1 0 412.556 0.731 20 0 HCADRO CC(C)[N@H+](C)CC1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000918700784 1078546015 /nfs/dbraw/zinc/54/60/15/1078546015.db2.gz COCOHTGPYMKZBC-MRXNPFEDSA-N 1 0 412.556 0.731 20 0 HCADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)o1 ZINC000918705898 1078548229 /nfs/dbraw/zinc/54/82/29/1078548229.db2.gz MWCBPYYEKXPAKB-HNNXBMFYSA-N 1 0 424.523 0.644 20 0 HCADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)o1 ZINC000918705900 1078548131 /nfs/dbraw/zinc/54/81/31/1078548131.db2.gz MWCBPYYEKXPAKB-OAHLLOKOSA-N 1 0 424.523 0.644 20 0 HCADRO C[C@@H]1CCC[C@](CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)([NH+](C)C)C1 ZINC000918709049 1078549848 /nfs/dbraw/zinc/54/98/48/1078549848.db2.gz WXQYRCYRIAHMDT-VCBZYWHSSA-N 1 0 412.556 0.779 20 0 HCADRO C[C@@H]1CCC[C@@](CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)([NH+](C)C)C1 ZINC000918709050 1078549858 /nfs/dbraw/zinc/54/98/58/1078549858.db2.gz WXQYRCYRIAHMDT-ZRGWGRIASA-N 1 0 412.556 0.779 20 0 HCADRO CN(C)C(=O)CNC(=S)NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000918716943 1078554586 /nfs/dbraw/zinc/55/45/86/1078554586.db2.gz GHXQZIAOGCSIQO-UHFFFAOYSA-N 1 0 408.597 0.582 20 0 HCADRO CC(C)[NH+](CCN(C(=S)NCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000918717478 1078554398 /nfs/dbraw/zinc/55/43/98/1078554398.db2.gz XUCRQGTVYVOIHV-HNNXBMFYSA-N 1 0 406.618 0.557 20 0 HCADRO 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ABOZTFLLPUCZNR-HUUCEWRRSA-N 1 0 407.492 0.834 20 0 HCADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000920468849 1079169356 /nfs/dbraw/zinc/16/93/56/1079169356.db2.gz ABOZTFLLPUCZNR-LSDHHAIUSA-N 1 0 407.492 0.834 20 0 HCADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccc(F)c(S(N)(=O)=O)c3)ccn2)CC1 ZINC000920475709 1079169953 /nfs/dbraw/zinc/16/99/53/1079169953.db2.gz QBGVQNLMYRTFDP-UHFFFAOYSA-N 1 0 407.471 0.550 20 0 HCADRO CS(=O)(=O)c1nc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c2ccccn21 ZINC000920643136 1079199053 /nfs/dbraw/zinc/19/90/53/1079199053.db2.gz XOTPYSCRSFWSOO-UHFFFAOYSA-N 1 0 420.491 0.638 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC000920699943 1079205536 /nfs/dbraw/zinc/20/55/36/1079205536.db2.gz ZOOMIYMLHUUDFM-HNNXBMFYSA-N 1 0 404.467 0.909 20 0 HCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC000920699944 1079205457 /nfs/dbraw/zinc/20/54/57/1079205457.db2.gz ZOOMIYMLHUUDFM-OAHLLOKOSA-N 1 0 404.467 0.909 20 0 HCADRO COCC[N@@H+]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 ZINC000920744247 1079205895 /nfs/dbraw/zinc/20/58/95/1079205895.db2.gz LQTGDXVXPRZGOU-UHFFFAOYSA-N 1 0 420.329 0.891 20 0 HCADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000920758771 1079208255 /nfs/dbraw/zinc/20/82/55/1079208255.db2.gz NVYFCAOFXLESTN-DOOKAGJSSA-N 1 0 420.510 0.363 20 0 HCADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000920758772 1079208195 /nfs/dbraw/zinc/20/81/95/1079208195.db2.gz NVYFCAOFXLESTN-FVNWOWOISA-N 1 0 420.510 0.363 20 0 HCADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000920758773 1079208287 /nfs/dbraw/zinc/20/82/87/1079208287.db2.gz NVYFCAOFXLESTN-IBSYWUHOSA-N 1 0 420.510 0.363 20 0 HCADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000920758775 1079208118 /nfs/dbraw/zinc/20/81/18/1079208118.db2.gz NVYFCAOFXLESTN-OAGJVSPASA-N 1 0 420.510 0.363 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000920762879 1079208590 /nfs/dbraw/zinc/20/85/90/1079208590.db2.gz MITHLVUZFZMVET-HDICACEKSA-N 1 0 416.588 0.751 20 0 HCADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000920762881 1079208629 /nfs/dbraw/zinc/20/86/29/1079208629.db2.gz MITHLVUZFZMVET-QZTJIDSGSA-N 1 0 416.588 0.751 20 0 HCADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000920762883 1079208552 /nfs/dbraw/zinc/20/85/52/1079208552.db2.gz MITHLVUZFZMVET-ROUUACIJSA-N 1 0 416.588 0.751 20 0 HCADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)o1 ZINC000920768613 1079208886 /nfs/dbraw/zinc/20/88/86/1079208886.db2.gz GXPOQDBAUBZDQL-UHFFFAOYSA-N 1 0 412.512 0.478 20 0 HCADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000920787486 1079208595 /nfs/dbraw/zinc/20/85/95/1079208595.db2.gz SDOBRYBBLXNVRZ-UHFFFAOYSA-N 1 0 419.450 0.848 20 0 HCADRO COCC[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 ZINC000920811173 1079210709 /nfs/dbraw/zinc/21/07/09/1079210709.db2.gz VSJIKKCJBNFBRU-UHFFFAOYSA-N 1 0 420.329 0.937 20 0 HCADRO COCC[NH+]1CCC(NC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CC1 ZINC000920814261 1079210797 /nfs/dbraw/zinc/21/07/97/1079210797.db2.gz MDJIIHDZHLIQDQ-INIZCTEOSA-N 1 0 407.437 0.970 20 0 HCADRO COCC[NH+]1CCC(NC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)CC1 ZINC000920814262 1079210864 /nfs/dbraw/zinc/21/08/64/1079210864.db2.gz MDJIIHDZHLIQDQ-MRXNPFEDSA-N 1 0 407.437 0.970 20 0 HCADRO C[NH+](C)CCCCCCCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000920920249 1079214184 /nfs/dbraw/zinc/21/41/84/1079214184.db2.gz DKPJLFDKHKIPRV-UHFFFAOYSA-N 1 0 411.547 0.211 20 0 HCADRO C[NH+](C)CCCCCCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000920920862 1079214190 /nfs/dbraw/zinc/21/41/90/1079214190.db2.gz ZKJKDIDHLLDZCW-UHFFFAOYSA-N 1 0 419.592 0.403 20 0 HCADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)cnc2n(C)c1=O ZINC000920926527 1079214016 /nfs/dbraw/zinc/21/40/16/1079214016.db2.gz QSIOVCXUEAUVAT-UHFFFAOYSA-N 1 0 418.498 0.199 20 0 HCADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=S)NCCN2CCOCC2)CC1 ZINC000920996005 1079215784 /nfs/dbraw/zinc/21/57/84/1079215784.db2.gz SIASFBDYAAENCJ-UHFFFAOYSA-N 1 0 413.632 0.609 20 0 HCADRO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000921076594 1079224253 /nfs/dbraw/zinc/22/42/53/1079224253.db2.gz UOTXAJCRWDWEAX-KRWDZBQOSA-N 1 0 424.567 0.876 20 0 HCADRO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000921076595 1079224079 /nfs/dbraw/zinc/22/40/79/1079224079.db2.gz UOTXAJCRWDWEAX-QGZVFWFLSA-N 1 0 424.567 0.876 20 0 HCADRO CC[N@H+](C)Cc1cccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000921088180 1079224597 /nfs/dbraw/zinc/22/45/97/1079224597.db2.gz LNLKZYYVSPJZDY-KRWDZBQOSA-N 1 0 420.535 0.920 20 0 HCADRO CC[N@H+](C)Cc1cccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000921088183 1079224711 /nfs/dbraw/zinc/22/47/11/1079224711.db2.gz LNLKZYYVSPJZDY-QGZVFWFLSA-N 1 0 420.535 0.920 20 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CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000921126785 1079227070 /nfs/dbraw/zinc/22/70/70/1079227070.db2.gz AYHFAHXXDKHFST-CQSZACIVSA-N 1 0 410.540 0.673 20 0 HCADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000921128828 1079227048 /nfs/dbraw/zinc/22/70/48/1079227048.db2.gz RRNIXLPMTFPVRM-CYBMUJFWSA-N 1 0 400.501 0.654 20 0 HCADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000921128829 1079227130 /nfs/dbraw/zinc/22/71/30/1079227130.db2.gz RRNIXLPMTFPVRM-ZDUSSCGKSA-N 1 0 400.501 0.654 20 0 HCADRO C[C@@H]1NC(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)=NN(c2ccccc2)C1=O ZINC000921167410 1079230573 /nfs/dbraw/zinc/23/05/73/1079230573.db2.gz KCVYTQUCKMMPTH-INIZCTEOSA-N 1 0 421.505 0.788 20 0 HCADRO C[C@H]1NC(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)=NN(c2ccccc2)C1=O ZINC000921167411 1079230659 /nfs/dbraw/zinc/23/06/59/1079230659.db2.gz KCVYTQUCKMMPTH-MRXNPFEDSA-N 1 0 421.505 0.788 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC000921167422 1079230546 /nfs/dbraw/zinc/23/05/46/1079230546.db2.gz KPQVFQUUFNLPOI-UHFFFAOYSA-N 1 0 407.471 0.550 20 0 HCADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)Cc3ccccc3F)CC1)C2=O ZINC000921187237 1079233470 /nfs/dbraw/zinc/23/34/70/1079233470.db2.gz BVGATFAPCWJDLB-UHFFFAOYSA-N 1 0 417.485 0.486 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)CC1 ZINC000921195989 1079231798 /nfs/dbraw/zinc/23/17/98/1079231798.db2.gz AFRTWYRGFNIENP-UHFFFAOYSA-N 1 0 402.476 0.982 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2cccc3c2COC3=O)CC1 ZINC000921196436 1079231886 /nfs/dbraw/zinc/23/18/86/1079231886.db2.gz JZASWXLSEIGKFZ-UHFFFAOYSA-N 1 0 402.476 0.982 20 0 HCADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000921199400 1079232384 /nfs/dbraw/zinc/23/23/84/1079232384.db2.gz KNDYGHCJOLAJAO-UHFFFAOYSA-N 1 0 407.482 0.809 20 0 HCADRO C[N@H+](CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CC1 ZINC000921204227 1079232407 /nfs/dbraw/zinc/23/24/07/1079232407.db2.gz 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C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(OCC(N)=O)c1 ZINC001125090844 1079202901 /nfs/dbraw/zinc/20/29/01/1079202901.db2.gz WXMFDCUEDROMPP-HXUWFJFHSA-N 1 0 424.501 0.796 20 0 HCADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cnnn2)cn1 ZINC001127268194 1077330567 /nfs/dbraw/zinc/33/05/67/1077330567.db2.gz UUPRTIBEYINQRA-SFHVURJKSA-N 1 0 408.466 0.076 20 0 HCADRO COC(=O)c1cnn(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC001127268371 1077330712 /nfs/dbraw/zinc/33/07/12/1077330712.db2.gz ZCUGXWGSVNMCHJ-KRWDZBQOSA-N 1 0 401.467 0.075 20 0 HCADRO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC001127268938 1077330639 /nfs/dbraw/zinc/33/06/39/1077330639.db2.gz IAKNCLYREACEBF-INIZCTEOSA-N 1 0 418.542 0.970 20 0 HCADRO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC001127268939 1077330695 /nfs/dbraw/zinc/33/06/95/1077330695.db2.gz IAKNCLYREACEBF-MRXNPFEDSA-N 1 0 418.542 0.970 20 0 HCADRO COCCCn1nc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1=O ZINC001127269842 1077330613 /nfs/dbraw/zinc/33/06/13/1077330613.db2.gz RCJWMKVSSCOCOM-UHFFFAOYSA-N 1 0 405.543 0.910 20 0 HCADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccnc(N4CCOCC4)n3)CC2)CC1 ZINC001127270583 1077330993 /nfs/dbraw/zinc/33/09/93/1077330993.db2.gz YBHNXVZIBWEWKB-UHFFFAOYSA-N 1 0 402.543 0.944 20 0 HCADRO Cn1nc2c(c1C(=O)Nc1ccc(N3CC[C@H]([NH+](C)C)C3)cn1)CS(=O)(=O)CC2 ZINC001127270614 1077331010 /nfs/dbraw/zinc/33/10/10/1077331010.db2.gz YUTGLWQFJDKDJW-AWEZNQCLSA-N 1 0 418.523 0.679 20 0 HCADRO Cn1nc2c(c1C(=O)Nc1ccc(N3CC[C@@H]([NH+](C)C)C3)cn1)CS(=O)(=O)CC2 ZINC001127270615 1077330888 /nfs/dbraw/zinc/33/08/88/1077330888.db2.gz YUTGLWQFJDKDJW-CQSZACIVSA-N 1 0 418.523 0.679 20 0 HCADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Cn2cnc(C(N)=O)n2)ccc1Cl ZINC001127309058 1077665083 /nfs/dbraw/zinc/66/50/83/1077665083.db2.gz CQSIKWBEBNXEGT-UHFFFAOYSA-N 1 0 421.889 0.741 20 0 HCADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3c4c(nn3C)CCS(=O)(=O)C4)CC2)CC1 ZINC001127353508 1077851445 /nfs/dbraw/zinc/85/14/45/1077851445.db2.gz KNCWGZXEWOFKMC-UHFFFAOYSA-N 1 0 423.583 0.522 20 0 HCADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cn1 ZINC001127454301 1078651702 /nfs/dbraw/zinc/65/17/02/1078651702.db2.gz LEBDZIPQVFKIMO-DFEOGRTESA-N 1 0 410.540 0.308 20 0 HCADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cn1 ZINC001127454305 1078651940 /nfs/dbraw/zinc/65/19/40/1078651940.db2.gz LEBDZIPQVFKIMO-NTDBWNAOSA-N 1 0 410.540 0.308 20 0 HCADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cn1 ZINC001127454308 1078651908 /nfs/dbraw/zinc/65/19/08/1078651908.db2.gz LEBDZIPQVFKIMO-SFNKJDCFSA-N 1 0 410.540 0.308 20 0 HCADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cn1 ZINC001127454310 1078652155 /nfs/dbraw/zinc/65/21/55/1078652155.db2.gz LEBDZIPQVFKIMO-VUHPKUFZSA-N 1 0 410.540 0.308 20 0 HCADRO CN1CCn2nc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)cc2S1(=O)=O ZINC001127529966 1079060094 /nfs/dbraw/zinc/06/00/94/1079060094.db2.gz QKKZHVJHCRTWSO-UHFFFAOYSA-N 1 0 404.496 0.559 20 0 HCADRO CCN1C(=O)CO[C@H](C(=O)Nc2ccnc(OCC[NH+](C)C)c2)[C@H]1c1ccnn1C ZINC001127580778 1078711282 /nfs/dbraw/zinc/71/12/82/1078711282.db2.gz OWOZPDZSNTUCOI-MOPGFXCFSA-N 1 0 416.482 0.683 20 0 HCADRO CN1C(=O)CO[C@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H]1c1cccnc1 ZINC001127603329 1078758806 /nfs/dbraw/zinc/75/88/06/1078758806.db2.gz VTTAQSUCIIJAQW-UXHICEINSA-N 1 0 413.478 0.632 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001127763842 1079340383 /nfs/dbraw/zinc/34/03/83/1079340383.db2.gz PZORGMMYKUZLBZ-PBHICJAKSA-N 1 0 403.508 0.768 20 0 HCADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001127763843 1079340294 /nfs/dbraw/zinc/34/02/94/1079340294.db2.gz PZORGMMYKUZLBZ-RHSMWYFYSA-N 1 0 403.508 0.768 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001127763844 1079340317 /nfs/dbraw/zinc/34/03/17/1079340317.db2.gz PZORGMMYKUZLBZ-WMLDXEAASA-N 1 0 403.508 0.768 20 0 HCADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001127763845 1079340359 /nfs/dbraw/zinc/34/03/59/1079340359.db2.gz PZORGMMYKUZLBZ-YOEHRIQHSA-N 1 0 403.508 0.768 20 0 HCADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(n2cnnn2)CCOCC1 ZINC001128090098 1080232844 /nfs/dbraw/zinc/23/28/44/1080232844.db2.gz CZFYTKSLTNAXLY-GOSISDBHSA-N 1 0 400.483 0.586 20 0 HCADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(n2cnnn2)CCOCC1 ZINC001128090099 1080233008 /nfs/dbraw/zinc/23/30/08/1080233008.db2.gz CZFYTKSLTNAXLY-SFHVURJKSA-N 1 0 400.483 0.586 20 0 HCADRO C[NH+]1CCC(OCC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC001128300751 1080762673 /nfs/dbraw/zinc/76/26/73/1080762673.db2.gz BZCKNPCWXDIMOE-UHFFFAOYSA-N 1 0 407.895 0.984 20 0 HCADRO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001128329721 1080803707 /nfs/dbraw/zinc/80/37/07/1080803707.db2.gz MXTONAKHHARUHF-CABCVRRESA-N 1 0 414.549 0.862 20 0 HCADRO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001128329722 1080803776 /nfs/dbraw/zinc/80/37/76/1080803776.db2.gz MXTONAKHHARUHF-GJZGRUSLSA-N 1 0 414.549 0.862 20 0 HCADRO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001128329723 1080803801 /nfs/dbraw/zinc/80/38/01/1080803801.db2.gz MXTONAKHHARUHF-HUUCEWRRSA-N 1 0 414.549 0.862 20 0 HCADRO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001128329724 1080803842 /nfs/dbraw/zinc/80/38/42/1080803842.db2.gz MXTONAKHHARUHF-LSDHHAIUSA-N 1 0 414.549 0.862 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[C@H](n1cccn1)C(F)(F)F ZINC001128385458 1080860757 /nfs/dbraw/zinc/86/07/57/1080860757.db2.gz AKBZRYQWPBHCRV-AWEZNQCLSA-N 1 0 405.421 0.626 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[C@@H](n1cccn1)C(F)(F)F ZINC001128385459 1080860563 /nfs/dbraw/zinc/86/05/63/1080860563.db2.gz AKBZRYQWPBHCRV-CQSZACIVSA-N 1 0 405.421 0.626 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccn(CCc2ccccc2)n1 ZINC001128385503 1080860745 /nfs/dbraw/zinc/86/07/45/1080860745.db2.gz BCBQXMZOXQIMCK-UHFFFAOYSA-N 1 0 413.522 0.988 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cn(CCc2ccccc2)nn1 ZINC001128385940 1080860768 /nfs/dbraw/zinc/86/07/68/1080860768.db2.gz IGZWMINCMUWSTQ-UHFFFAOYSA-N 1 0 414.510 0.383 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC001128386248 1080861152 /nfs/dbraw/zinc/86/11/52/1080861152.db2.gz MPELTTZUCQAWEG-UHFFFAOYSA-N 1 0 417.510 0.180 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1ncc(Br)c1C ZINC001128386327 1080861248 /nfs/dbraw/zinc/86/12/48/1080861248.db2.gz IEHDAHNKQKIZLR-UHFFFAOYSA-N 1 0 416.320 0.203 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(Cn2ccccc2=O)o1 ZINC001128386582 1080861141 /nfs/dbraw/zinc/86/11/41/1080861141.db2.gz ONVGYPOKQAALAT-UHFFFAOYSA-N 1 0 416.478 0.352 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(F)cc(N2CCOCC2)c1 ZINC001128386733 1080861118 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COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)n1ccc(C(F)(F)F)n1 ZINC001128491965 1081247388 /nfs/dbraw/zinc/24/73/88/1081247388.db2.gz JPOWTBXGXHPHLF-ZDUSSCGKSA-N 1 0 405.421 0.712 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1coc2c1C(=O)NCC(C)(C)C2 ZINC001128491967 1081247232 /nfs/dbraw/zinc/24/72/32/1081247232.db2.gz JROPTIGHCCKMQE-UHFFFAOYSA-N 1 0 420.510 0.454 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccnn1CCc1ccccc1 ZINC001128492092 1081250398 /nfs/dbraw/zinc/25/03/98/1081250398.db2.gz JYVYGXAWVWODMM-UHFFFAOYSA-N 1 0 413.522 0.988 20 0 HCADRO CCn1ncc(Br)c1C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC001128492235 1081254272 /nfs/dbraw/zinc/25/42/72/1081254272.db2.gz MPHYEKPCOXBTKP-UHFFFAOYSA-N 1 0 416.320 0.528 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(Br)n(C)n1 ZINC001128492330 1081257414 /nfs/dbraw/zinc/25/74/14/1081257414.db2.gz NSOZCEMGMXTOAR-UHFFFAOYSA-N 1 0 402.293 0.045 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccn(CCC(F)(F)F)n1 ZINC001128492377 1081255147 /nfs/dbraw/zinc/25/51/47/1081255147.db2.gz ORIIUPUNLZLIHH-UHFFFAOYSA-N 1 0 405.421 0.698 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC001128492453 1081260548 /nfs/dbraw/zinc/26/05/48/1081260548.db2.gz QWKXTDXZYVMWKR-UHFFFAOYSA-N 1 0 416.522 0.803 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001128492709 1081265396 /nfs/dbraw/zinc/26/53/96/1081265396.db2.gz VLXAJDBHDPMISB-INIZCTEOSA-N 1 0 414.547 0.738 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001128492713 1081265261 /nfs/dbraw/zinc/26/52/61/1081265261.db2.gz VLXAJDBHDPMISB-MRXNPFEDSA-N 1 0 414.547 0.738 20 0 HCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)N1Cc2ccccc2C1=O ZINC001128492881 1081262153 /nfs/dbraw/zinc/26/21/53/1081262153.db2.gz WHMGLEAGYOBVES-MRXNPFEDSA-N 1 0 402.495 0.280 20 0 HCADRO CCC[NH+]1CCN(c2ccc(NC(=O)Cn3cnc(C(N)=O)n3)c(OCC)c2)CC1 ZINC001128506314 1081341543 /nfs/dbraw/zinc/34/15/43/1081341543.db2.gz QUFXBYDVYLPQDW-UHFFFAOYSA-N 1 0 415.498 0.946 20 0 HCADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc2n[nH]cc21)C(=O)NCC(N)=O ZINC001143097018 1080687526 /nfs/dbraw/zinc/68/75/26/1080687526.db2.gz LCVSPZGFMLISBC-ROUUACIJSA-N 1 0 414.510 0.660 20 0 HCADRO O=C1CN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)CC2(CC[NH2+]CC2)N1 ZINC001164389507 718808835 /nfs/dbraw/zinc/80/88/35/718808835.db2.gz JOKHQWXOOZBQHX-UHFFFAOYSA-N 1 0 416.860 0.570 20 0 HCADRO CCOC(=O)c1cnc(C(F)(F)N2CC(=O)NC3(CC[NH2+]CC3)C2)nc1Cl ZINC001164390013 718808889 /nfs/dbraw/zinc/80/88/89/718808889.db2.gz NOYYWKOPPXEEJC-UHFFFAOYSA-N 1 0 403.817 0.910 20 0 HCADRO COCCOc1cc2ncnc(N3CCN4CC[NH2+]C[C@H]4C3)c2cc1OCCOC ZINC001164390131 718830508 /nfs/dbraw/zinc/83/05/08/718830508.db2.gz ACXHXDNOXSMIDZ-INIZCTEOSA-N 1 0 417.510 0.774 20 0 HCADRO COCCOc1cc2ncnc(N3CCN4CC[NH2+]C[C@@H]4C3)c2cc1OCCOC ZINC001164390132 718830568 /nfs/dbraw/zinc/83/05/68/718830568.db2.gz ACXHXDNOXSMIDZ-MRXNPFEDSA-N 1 0 417.510 0.774 20 0 HCADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001164390557 718808784 /nfs/dbraw/zinc/80/87/84/718808784.db2.gz RBRBRNMLILSDKJ-UHFFFAOYSA-N 1 0 403.817 0.910 20 0 HCADRO CS(=O)(=O)c1cc(C(F)(F)N2CC(=O)NC3(CC[NH2+]CC3)C2)cnc1Cl ZINC001164391814 718810020 /nfs/dbraw/zinc/81/00/20/718810020.db2.gz JJHVOVBSLTWDLM-UHFFFAOYSA-N 1 0 408.858 0.742 20 0 HCADRO O=C1NCCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)C12C[NH2+]C2 ZINC001164410456 718878962 /nfs/dbraw/zinc/87/89/62/718878962.db2.gz BPRJVEOERMSGJA-UHFFFAOYSA-N 1 0 414.535 0.290 20 0 HCADRO O=C(c1cccnc1N1CCNC(=O)C12C[NH2+]C2)N1CCN(Cc2ccccc2)CC1 ZINC001164410514 718878973 /nfs/dbraw/zinc/87/89/73/718878973.db2.gz CIWMYXIRBRWOHR-UHFFFAOYSA-N 1 0 420.517 0.318 20 0 HCADRO O=C1NCCN([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)C12C[NH2+]C2 ZINC001164411664 718879119 /nfs/dbraw/zinc/87/91/19/718879119.db2.gz QSNBPEPGYVBXEP-GOSISDBHSA-N 1 0 423.880 0.271 20 0 HCADRO O=C1NCCN([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)C12C[NH2+]C2 ZINC001164411665 718878866 /nfs/dbraw/zinc/87/88/66/718878866.db2.gz QSNBPEPGYVBXEP-SFHVURJKSA-N 1 0 423.880 0.271 20 0 HCADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCNC(=O)C34C[NH2+]C4)c2c1C ZINC001164412009 718878724 /nfs/dbraw/zinc/87/87/24/718878724.db2.gz SRQXAGDQLVRQRU-UHFFFAOYSA-N 1 0 402.524 0.419 20 0 HCADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCNC(=O)C12C[NH2+]C2 ZINC001164412255 718878359 /nfs/dbraw/zinc/87/83/59/718878359.db2.gz VAIUJZNHTVLTMQ-UHFFFAOYSA-N 1 0 401.801 0.520 20 0 HCADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl ZINC001164620399 719015965 /nfs/dbraw/zinc/01/59/65/719015965.db2.gz YZWSQYOEDZHLAW-JFUSQASVSA-N 1 0 424.857 0.657 20 0 HCADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl ZINC001164620400 719016186 /nfs/dbraw/zinc/01/61/86/719016186.db2.gz YZWSQYOEDZHLAW-KPXOXKRLSA-N 1 0 424.857 0.657 20 0 HCADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl ZINC001164620401 719015997 /nfs/dbraw/zinc/01/59/97/719015997.db2.gz YZWSQYOEDZHLAW-UWJYBYFXSA-N 1 0 424.857 0.657 20 0 HCADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl ZINC001164620402 719016163 /nfs/dbraw/zinc/01/61/63/719016163.db2.gz YZWSQYOEDZHLAW-ZHAHWJHGSA-N 1 0 424.857 0.657 20 0 HCADRO COC(=O)[C@@H]1C[NH2+]CCN1c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164630656 719134347 /nfs/dbraw/zinc/13/43/47/719134347.db2.gz LBNONLMIRZKLND-FQEVSTJZSA-N 1 0 423.517 0.991 20 0 HCADRO COC(=O)[C@H]1C[NH2+]CCN1c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164630657 719134592 /nfs/dbraw/zinc/13/45/92/719134592.db2.gz LBNONLMIRZKLND-HXUWFJFHSA-N 1 0 423.517 0.991 20 0 HCADRO COCCN1CCN(C)C2(CCN(c3nc(Cl)nc4c3C[NH2+]CC4)CC2)C1=O ZINC001164632949 719268012 /nfs/dbraw/zinc/26/80/12/719268012.db2.gz BVQZPGQUTLGGCB-UHFFFAOYSA-N 1 0 408.934 0.535 20 0 HCADRO COCCN1CCN(C)C2(CCN(c3nc(Cl)nc4c3CC[NH2+]C4)CC2)C1=O ZINC001164634755 719270200 /nfs/dbraw/zinc/27/02/00/719270200.db2.gz OAEILTIHAAZJNU-UHFFFAOYSA-N 1 0 408.934 0.535 20 0 HCADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164635239 719135802 /nfs/dbraw/zinc/13/58/02/719135802.db2.gz WMKBTTPNQJUVDX-AWEZNQCLSA-N 1 0 417.535 0.963 20 0 HCADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164635240 719136421 /nfs/dbraw/zinc/13/64/21/719136421.db2.gz WMKBTTPNQJUVDX-CQSZACIVSA-N 1 0 417.535 0.963 20 0 HCADRO COCCN1CCN(C)C2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)C1=O ZINC001164637904 719277215 /nfs/dbraw/zinc/27/72/15/719277215.db2.gz AXEHHYQBDJVNIC-UHFFFAOYSA-N 1 0 416.570 0.593 20 0 HCADRO CN1CCN(c2ccc(N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)nn2)CC1 ZINC001164638147 719266968 /nfs/dbraw/zinc/26/69/68/719266968.db2.gz NTDPFPFWONXZIK-UHFFFAOYSA-N 1 0 407.482 0.990 20 0 HCADRO COCCN1CCN(C)C2(CCN(c3nccc(N4CCC([NH3+])CC4)n3)CC2)C1=O ZINC001164640200 719277222 /nfs/dbraw/zinc/27/72/22/719277222.db2.gz OUSGVRYUVXVGGU-UHFFFAOYSA-N 1 0 417.558 0.164 20 0 HCADRO COCCN1CCN(C)C2(CCN(c3cccc(N4CCOCC4)[nH+]3)CC2)C1=O ZINC001164642177 719278385 /nfs/dbraw/zinc/27/83/85/719278385.db2.gz XXKOTAOTVAMXGA-UHFFFAOYSA-N 1 0 403.527 0.678 20 0 HCADRO COCCN1CCN(C)C2(CCN(c3ccc(N4CC[NH2+]CC4)cn3)CC2)C1=O ZINC001164642192 719277993 /nfs/dbraw/zinc/27/79/93/719277993.db2.gz YIRFCJKMHBYVGT-UHFFFAOYSA-N 1 0 402.543 0.251 20 0 HCADRO COCCN1CCN(C)C2(CCN(c3nccc(C4CC[NH2+]CC4)n3)CC2)C1=O ZINC001164642208 719278010 /nfs/dbraw/zinc/27/80/10/719278010.db2.gz YPOGNMOQCWKWLS-UHFFFAOYSA-N 1 0 402.543 0.703 20 0 HCADRO COCCN1CCN(C)C2(CCN(c3ccc(OC4CC[NH2+]CC4)nn3)CC2)C1=O ZINC001164644244 719280962 /nfs/dbraw/zinc/28/09/62/719280962.db2.gz FJEXBYYVPBETOI-UHFFFAOYSA-N 1 0 418.542 0.367 20 0 HCADRO CN1CCc2nc(Cl)nc(N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)c2C1 ZINC001164652684 719327462 /nfs/dbraw/zinc/32/74/62/719327462.db2.gz DORPFXGLSHDBLO-UHFFFAOYSA-N 1 0 412.903 0.718 20 0 HCADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1ccc(CN2CCOCC2)cn1 ZINC001164654444 719327092 /nfs/dbraw/zinc/32/70/92/719327092.db2.gz LSZOTAYGRIXMOF-UHFFFAOYSA-N 1 0 407.496 0.514 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H](N4CCCC4=O)[C@@H]4OCCC[C@H]4C3)nn2)CC1 ZINC001164655715 719302523 /nfs/dbraw/zinc/30/25/23/719302523.db2.gz VETYUGRYOXIUAO-CSODHUTKSA-N 1 0 400.527 0.835 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](N4CCCC4=O)C3)nn2)CC1 ZINC001164655716 719302592 /nfs/dbraw/zinc/30/25/92/719302592.db2.gz VETYUGRYOXIUAO-FIKGOQFSSA-N 1 0 400.527 0.835 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H](N4CCCC4=O)[C@H]4OCCC[C@H]4C3)nn2)CC1 ZINC001164655717 719302510 /nfs/dbraw/zinc/30/25/10/719302510.db2.gz VETYUGRYOXIUAO-FVJLSDCUSA-N 1 0 400.527 0.835 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4CCCO[C@H]4[C@@H](N4CCCC4=O)C3)nn2)CC1 ZINC001164655718 719302562 /nfs/dbraw/zinc/30/25/62/719302562.db2.gz VETYUGRYOXIUAO-XGHQBKJUSA-N 1 0 400.527 0.835 20 0 HCADRO CN(C)C(=O)COCc1noc2c1CN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164659439 719341506 /nfs/dbraw/zinc/34/15/06/719341506.db2.gz DBFVNXDQQURWKQ-UHFFFAOYSA-N 1 0 414.510 0.989 20 0 HCADRO CN(C)C(=O)COCc1noc2c1CN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164662757 719340943 /nfs/dbraw/zinc/34/09/43/719340943.db2.gz RKJDKTBOLBXBKQ-UHFFFAOYSA-N 1 0 415.498 0.384 20 0 HCADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164677213 719552965 /nfs/dbraw/zinc/55/29/65/719552965.db2.gz LUMSIOQGLOPJPR-KRWDZBQOSA-N 1 0 403.527 0.724 20 0 HCADRO CNC(=O)CO[C@H]1COC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164677215 719552454 /nfs/dbraw/zinc/55/24/54/719552454.db2.gz LUMSIOQGLOPJPR-QGZVFWFLSA-N 1 0 403.527 0.724 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@@H]43)nn2)CC1 ZINC001164677384 719535147 /nfs/dbraw/zinc/53/51/47/719535147.db2.gz DIZZQCOMBZORPX-FGTMMUONSA-N 1 0 400.527 0.835 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@H]43)nn2)CC1 ZINC001164677385 719535396 /nfs/dbraw/zinc/53/53/96/719535396.db2.gz DIZZQCOMBZORPX-KURKYZTESA-N 1 0 400.527 0.835 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@H]43)nn2)CC1 ZINC001164677386 719535718 /nfs/dbraw/zinc/53/57/18/719535718.db2.gz DIZZQCOMBZORPX-KZNAEPCWSA-N 1 0 400.527 0.835 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@@H]43)nn2)CC1 ZINC001164677387 719535281 /nfs/dbraw/zinc/53/52/81/719535281.db2.gz DIZZQCOMBZORPX-SQNIBIBYSA-N 1 0 400.527 0.835 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@H](C(=O)N4CC=CC4)C4(C3)CCOCC4)nn2)CC1 ZINC001164677410 719556466 /nfs/dbraw/zinc/55/64/66/719556466.db2.gz MAJISCKUPAQCFW-GOSISDBHSA-N 1 0 412.538 0.860 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H](C(=O)N4CC=CC4)C4(C3)CCOCC4)nn2)CC1 ZINC001164677411 719556086 /nfs/dbraw/zinc/55/60/86/719556086.db2.gz MAJISCKUPAQCFW-SFHVURJKSA-N 1 0 412.538 0.860 20 0 HCADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164679209 719548921 /nfs/dbraw/zinc/54/89/21/719548921.db2.gz VGWKITRSGATHEC-INIZCTEOSA-N 1 0 404.515 0.119 20 0 HCADRO CNC(=O)CO[C@H]1COC2(C1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164679210 719548962 /nfs/dbraw/zinc/54/89/62/719548962.db2.gz VGWKITRSGATHEC-MRXNPFEDSA-N 1 0 404.515 0.119 20 0 HCADRO COC(=O)c1cc(S(N)(=O)=O)cnc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679611 719642550 /nfs/dbraw/zinc/64/25/50/719642550.db2.gz IOLQOQALRHMPQJ-UHFFFAOYSA-N 1 0 422.511 0.187 20 0 HCADRO c1cc(N2CCn3c(CN4CCOCC4)nnc3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164679652 719589300 /nfs/dbraw/zinc/58/93/00/719589300.db2.gz BLQWOOPZJPRZLJ-UHFFFAOYSA-N 1 0 414.514 0.299 20 0 HCADRO c1cc(N2CCn3c(CN4CCOCC4)nnc3C2)nnc1OC1CC[NH2+]CC1 ZINC001164680936 719585642 /nfs/dbraw/zinc/58/56/42/719585642.db2.gz UAWNRJUGYAYDPO-UHFFFAOYSA-N 1 0 400.487 0.051 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)CC2 ZINC001164681777 719702872 /nfs/dbraw/zinc/70/28/72/719702872.db2.gz AMQRWFUABGKGQF-UHFFFAOYSA-N 1 0 404.467 0.836 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)CC2 ZINC001164683652 719719855 /nfs/dbraw/zinc/71/98/55/719719855.db2.gz BOGVBNMKVDFCDN-HNNXBMFYSA-N 1 0 413.526 0.603 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)CC2 ZINC001164683656 719720535 /nfs/dbraw/zinc/72/05/35/719720535.db2.gz BOGVBNMKVDFCDN-OAHLLOKOSA-N 1 0 413.526 0.603 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164683879 719699375 /nfs/dbraw/zinc/69/93/75/719699375.db2.gz LOHKMWFBCGPYHR-UHFFFAOYSA-N 1 0 401.511 0.735 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164684102 719707355 /nfs/dbraw/zinc/70/73/55/719707355.db2.gz MYASLVHUXOFTPZ-UHFFFAOYSA-N 1 0 409.922 0.542 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(S(N)(=O)=O)cc1Cl)CC2 ZINC001164685333 719712124 /nfs/dbraw/zinc/71/21/24/719712124.db2.gz VIZAAUBHDQCSIW-UHFFFAOYSA-N 1 0 401.920 0.563 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164686202 719710544 /nfs/dbraw/zinc/71/05/44/719710544.db2.gz YAJGPBHYBZHYET-UHFFFAOYSA-N 1 0 415.542 0.462 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CCc4nnc(COc5ccccn5)n4CC3)nn2)CC1 ZINC001164686479 719684432 /nfs/dbraw/zinc/68/44/32/719684432.db2.gz NIKOGIBRNZEYMM-UHFFFAOYSA-N 1 0 421.509 0.857 20 0 HCADRO c1cc(N2CCn3c(CN4CCOCC4)nnc3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164688475 719591395 /nfs/dbraw/zinc/59/13/95/719591395.db2.gz WQBWXMJZBMWQIF-UHFFFAOYSA-N 1 0 413.526 0.904 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164689331 719750808 /nfs/dbraw/zinc/75/08/08/719750808.db2.gz BEZZQUQPZPFNCC-UHFFFAOYSA-N 1 0 401.920 0.563 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)CC2 ZINC001164689517 719740428 /nfs/dbraw/zinc/74/04/28/719740428.db2.gz GBCMXQKDIZEALU-UHFFFAOYSA-N 1 0 409.556 0.949 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)CC2 ZINC001164690022 719737324 /nfs/dbraw/zinc/73/73/24/719737324.db2.gz PJYBYPQNDGYGQK-UHFFFAOYSA-N 1 0 400.483 0.936 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(C(=O)NC3CCOCC3)nn1)CC2 ZINC001164690165 719746567 /nfs/dbraw/zinc/74/65/67/719746567.db2.gz UYLPIWQMFYZRRX-UHFFFAOYSA-N 1 0 416.526 0.566 20 0 HCADRO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164690240 719736840 /nfs/dbraw/zinc/73/68/40/719736840.db2.gz WOCOCOROJWXKOV-GDLZYMKVSA-N 1 0 423.539 0.572 20 0 HCADRO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164690241 719737825 /nfs/dbraw/zinc/73/78/25/719737825.db2.gz WOCOCOROJWXKOV-LJAQVGFWSA-N 1 0 423.539 0.572 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3c(c(N4CCOCC4)n1)CNC3)CC2 ZINC001164690247 719736286 /nfs/dbraw/zinc/73/62/86/719736286.db2.gz WSAOILAOTSPPQX-UHFFFAOYSA-N 1 0 415.542 0.097 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)CC2 ZINC001164690285 719750790 /nfs/dbraw/zinc/75/07/90/719750790.db2.gz YHARWQPAGPQBSZ-HNNXBMFYSA-N 1 0 401.515 0.112 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(N3CCC[C@@H]3C(N)=O)ncn1)CC2 ZINC001164690286 719751212 /nfs/dbraw/zinc/75/12/12/719751212.db2.gz YHARWQPAGPQBSZ-OAHLLOKOSA-N 1 0 401.515 0.112 20 0 HCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164690291 719742798 /nfs/dbraw/zinc/74/27/98/719742798.db2.gz YSEYOWZKPSYCCN-UHFFFAOYSA-N 1 0 407.540 0.703 20 0 HCADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC001164694969 719828809 /nfs/dbraw/zinc/82/88/09/719828809.db2.gz ABKCBKBWBJEQLQ-KRWDZBQOSA-N 1 0 413.526 0.429 20 0 HCADRO COCCNC(=O)[C@H]1Cn2nccc2CN(c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC001164694973 719828761 /nfs/dbraw/zinc/82/87/61/719828761.db2.gz ABKCBKBWBJEQLQ-QGZVFWFLSA-N 1 0 413.526 0.429 20 0 HCADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164699962 719869716 /nfs/dbraw/zinc/86/97/16/719869716.db2.gz DBZGHQGXEZNWQN-HRAATJIYSA-N 1 0 419.526 0.840 20 0 HCADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164699965 719869721 /nfs/dbraw/zinc/86/97/21/719869721.db2.gz DBZGHQGXEZNWQN-IERDGZPVSA-N 1 0 419.526 0.840 20 0 HCADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164699968 719869707 /nfs/dbraw/zinc/86/97/07/719869707.db2.gz DBZGHQGXEZNWQN-IIBYNOLFSA-N 1 0 419.526 0.840 20 0 HCADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164699973 719870009 /nfs/dbraw/zinc/87/00/09/719870009.db2.gz DBZGHQGXEZNWQN-KKSFZXQISA-N 1 0 419.526 0.840 20 0 HCADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@H]4C3)n2)CC1 ZINC001164703365 719883952 /nfs/dbraw/zinc/88/39/52/719883952.db2.gz RROJCDQHEBUZPA-FGTMMUONSA-N 1 0 423.521 0.961 20 0 HCADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@@H]4C3)n2)CC1 ZINC001164703366 719883864 /nfs/dbraw/zinc/88/38/64/719883864.db2.gz RROJCDQHEBUZPA-KURKYZTESA-N 1 0 423.521 0.961 20 0 HCADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@@H]4C3)n2)CC1 ZINC001164703367 719883697 /nfs/dbraw/zinc/88/36/97/719883697.db2.gz RROJCDQHEBUZPA-KZNAEPCWSA-N 1 0 423.521 0.961 20 0 HCADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@H]4C3)n2)CC1 ZINC001164703368 719883905 /nfs/dbraw/zinc/88/39/05/719883905.db2.gz RROJCDQHEBUZPA-SQNIBIBYSA-N 1 0 423.521 0.961 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@@H]4C3)nn2)CC1 ZINC001164704322 719881843 /nfs/dbraw/zinc/88/18/43/719881843.db2.gz VHWHVCAPXUAHQW-BRWVUGGUSA-N 1 0 424.509 0.356 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@H]4C3)nn2)CC1 ZINC001164704324 719881939 /nfs/dbraw/zinc/88/19/39/719881939.db2.gz VHWHVCAPXUAHQW-IKGGRYGDSA-N 1 0 424.509 0.356 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@H]4C3)nn2)CC1 ZINC001164704326 719881888 /nfs/dbraw/zinc/88/18/88/719881888.db2.gz VHWHVCAPXUAHQW-IXDOHACOSA-N 1 0 424.509 0.356 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@@H]4C3)nn2)CC1 ZINC001164704328 719881852 /nfs/dbraw/zinc/88/18/52/719881852.db2.gz VHWHVCAPXUAHQW-ZACQAIPSSA-N 1 0 424.509 0.356 20 0 HCADRO CCN(C)c1cc(C)[nH+]c(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)n1 ZINC001164705244 719928068 /nfs/dbraw/zinc/92/80/68/719928068.db2.gz XFUFASWJVVMYAF-UHFFFAOYSA-N 1 0 412.542 0.925 20 0 HCADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1cncc(N2CC[NH2+]CC2)n1 ZINC001164705577 719856964 /nfs/dbraw/zinc/85/69/64/719856964.db2.gz UISQMTCJGLVNOH-JXFKEZNVSA-N 1 0 404.515 0.119 20 0 HCADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1cncc(N2CC[NH2+]CC2)n1 ZINC001164705578 719856850 /nfs/dbraw/zinc/85/68/50/719856850.db2.gz UISQMTCJGLVNOH-OXJNMPFZSA-N 1 0 404.515 0.119 20 0 HCADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1cncc(N2CC[NH2+]CC2)n1 ZINC001164705579 719857034 /nfs/dbraw/zinc/85/70/34/719857034.db2.gz UISQMTCJGLVNOH-OXQOHEQNSA-N 1 0 404.515 0.119 20 0 HCADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cncc(N2CC[NH2+]CC2)n1 ZINC001164705580 719856994 /nfs/dbraw/zinc/85/69/94/719856994.db2.gz UISQMTCJGLVNOH-UZLBHIALSA-N 1 0 404.515 0.119 20 0 HCADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(N2CC[NH2+]CC2)cn1 ZINC001164706865 719863658 /nfs/dbraw/zinc/86/36/58/719863658.db2.gz ZFYHOBVXSWBFSH-DYESRHJHSA-N 1 0 403.527 0.724 20 0 HCADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(N2CC[NH2+]CC2)cn1 ZINC001164706866 719863536 /nfs/dbraw/zinc/86/35/36/719863536.db2.gz ZFYHOBVXSWBFSH-LAUBAEHRSA-N 1 0 403.527 0.724 20 0 HCADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(N2CC[NH2+]CC2)cn1 ZINC001164706867 719863289 /nfs/dbraw/zinc/86/32/89/719863289.db2.gz ZFYHOBVXSWBFSH-UTKZUKDTSA-N 1 0 403.527 0.724 20 0 HCADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(N2CC[NH2+]CC2)cn1 ZINC001164706868 719863541 /nfs/dbraw/zinc/86/35/41/719863541.db2.gz ZFYHOBVXSWBFSH-UWJYYQICSA-N 1 0 403.527 0.724 20 0 HCADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164706874 719861627 /nfs/dbraw/zinc/86/16/27/719861627.db2.gz ZLJJIJWUOIBSLF-DYESRHJHSA-N 1 0 418.542 0.637 20 0 HCADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164706879 719861567 /nfs/dbraw/zinc/86/15/67/719861567.db2.gz ZLJJIJWUOIBSLF-LAUBAEHRSA-N 1 0 418.542 0.637 20 0 HCADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164706881 719861705 /nfs/dbraw/zinc/86/17/05/719861705.db2.gz ZLJJIJWUOIBSLF-UTKZUKDTSA-N 1 0 418.542 0.637 20 0 HCADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164706883 719861593 /nfs/dbraw/zinc/86/15/93/719861593.db2.gz ZLJJIJWUOIBSLF-UWJYYQICSA-N 1 0 418.542 0.637 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@@H](C(=O)N5CCCCO5)[C@H]4C3)nn2)CC1 ZINC001164707770 719911581 /nfs/dbraw/zinc/91/15/81/719911581.db2.gz XVMDRCGTYQTEMQ-FGTMMUONSA-N 1 0 416.526 0.481 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@@H]4C3)nn2)CC1 ZINC001164707771 719910982 /nfs/dbraw/zinc/91/09/82/719910982.db2.gz XVMDRCGTYQTEMQ-KURKYZTESA-N 1 0 416.526 0.481 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@@H](C(=O)N5CCCCO5)[C@@H]4C3)nn2)CC1 ZINC001164707772 719911347 /nfs/dbraw/zinc/91/13/47/719911347.db2.gz XVMDRCGTYQTEMQ-KZNAEPCWSA-N 1 0 416.526 0.481 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@H]4C3)nn2)CC1 ZINC001164707773 719911672 /nfs/dbraw/zinc/91/16/72/719911672.db2.gz XVMDRCGTYQTEMQ-SQNIBIBYSA-N 1 0 416.526 0.481 20 0 HCADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164708325 719931678 /nfs/dbraw/zinc/93/16/78/719931678.db2.gz JJJBESHJILCOEH-UHFFFAOYSA-N 1 0 406.494 0.951 20 0 HCADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164708617 719917874 /nfs/dbraw/zinc/91/78/74/719917874.db2.gz NIDRKIPNPAEKQL-UHFFFAOYSA-N 1 0 424.553 0.175 20 0 HCADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1[nH+][nH]c(Cl)c3ncnc1-3)CC2 ZINC001164709256 719914241 /nfs/dbraw/zinc/91/42/41/719914241.db2.gz RVAGSNMTVWJXNW-UHFFFAOYSA-N 1 0 415.889 0.690 20 0 HCADRO COc1cc(OC)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164711241 720173567 /nfs/dbraw/zinc/17/35/67/720173567.db2.gz AFPUYIJRHSXVAV-HNNXBMFYSA-N 1 0 403.487 0.839 20 0 HCADRO COc1cc(OC)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164711243 720173336 /nfs/dbraw/zinc/17/33/36/720173336.db2.gz AFPUYIJRHSXVAV-OAHLLOKOSA-N 1 0 403.487 0.839 20 0 HCADRO COC(=O)c1ccnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164711282 720173148 /nfs/dbraw/zinc/17/31/48/720173148.db2.gz AWBAWFQYYMHEBV-INIZCTEOSA-N 1 0 401.471 0.608 20 0 HCADRO COC(=O)c1ccnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164711284 720173603 /nfs/dbraw/zinc/17/36/03/720173603.db2.gz AWBAWFQYYMHEBV-MRXNPFEDSA-N 1 0 401.471 0.608 20 0 HCADRO COC(=O)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nn1 ZINC001164711437 720171010 /nfs/dbraw/zinc/17/10/10/720171010.db2.gz BVCMGRQSVNEIAK-INIZCTEOSA-N 1 0 401.471 0.608 20 0 HCADRO COC(=O)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nn1 ZINC001164711439 720171214 /nfs/dbraw/zinc/17/12/14/720171214.db2.gz BVCMGRQSVNEIAK-MRXNPFEDSA-N 1 0 401.471 0.608 20 0 HCADRO Cc1cnc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc1C1C[NH2+]C1 ZINC001164711524 720049217 /nfs/dbraw/zinc/04/92/17/720049217.db2.gz IHIUUCOOROVKPO-UHFFFAOYSA-N 1 0 410.526 0.156 20 0 HCADRO COC(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cn1 ZINC001164711879 720166370 /nfs/dbraw/zinc/16/63/70/720166370.db2.gz DECRGDIQHSMJLS-INIZCTEOSA-N 1 0 401.471 0.608 20 0 HCADRO COC(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)cn1 ZINC001164711880 720165862 /nfs/dbraw/zinc/16/58/62/720165862.db2.gz DECRGDIQHSMJLS-MRXNPFEDSA-N 1 0 401.471 0.608 20 0 HCADRO CCOC(=O)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nn1 ZINC001164712318 720172149 /nfs/dbraw/zinc/17/21/49/720172149.db2.gz FNYKTYBSQIPEFZ-KRWDZBQOSA-N 1 0 415.498 0.998 20 0 HCADRO CCOC(=O)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nn1 ZINC001164712319 720171770 /nfs/dbraw/zinc/17/17/70/720171770.db2.gz FNYKTYBSQIPEFZ-QGZVFWFLSA-N 1 0 415.498 0.998 20 0 HCADRO Cn1nnc2c1CCN(c1nc(Cl)ncc1C(N)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001164712345 720173614 /nfs/dbraw/zinc/17/36/14/720173614.db2.gz FTHBRQXDGSOKDK-AWEZNQCLSA-N 1 0 420.905 0.574 20 0 HCADRO Cn1nnc2c1CCN(c1nc(Cl)ncc1C(N)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712347 720173164 /nfs/dbraw/zinc/17/31/64/720173164.db2.gz FTHBRQXDGSOKDK-CQSZACIVSA-N 1 0 420.905 0.574 20 0 HCADRO CCOC(=O)c1cncnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164712886 720164177 /nfs/dbraw/zinc/16/41/77/720164177.db2.gz HLKLJKLYVXTDRP-KRWDZBQOSA-N 1 0 415.498 0.998 20 0 HCADRO CCOC(=O)c1cncnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164712887 720163456 /nfs/dbraw/zinc/16/34/56/720163456.db2.gz HLKLJKLYVXTDRP-QGZVFWFLSA-N 1 0 415.498 0.998 20 0 HCADRO Cn1nnc2c1CCN(c1ncccc1S(N)(=O)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001164712920 720170974 /nfs/dbraw/zinc/17/09/74/720170974.db2.gz IIJDXGBLHZXHRJ-HNNXBMFYSA-N 1 0 421.527 0.074 20 0 HCADRO Cn1nnc2c1CCN(c1ncccc1S(N)(=O)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712921 720171118 /nfs/dbraw/zinc/17/11/18/720171118.db2.gz IIJDXGBLHZXHRJ-OAHLLOKOSA-N 1 0 421.527 0.074 20 0 HCADRO CCNC(=O)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nn1 ZINC001164713284 720200805 /nfs/dbraw/zinc/20/08/05/720200805.db2.gz ANAODODTQJUDPL-KRWDZBQOSA-N 1 0 414.514 0.571 20 0 HCADRO CCNC(=O)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nn1 ZINC001164713286 720200434 /nfs/dbraw/zinc/20/04/34/720200434.db2.gz ANAODODTQJUDPL-QGZVFWFLSA-N 1 0 414.514 0.571 20 0 HCADRO COCCOc1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nn1 ZINC001164713443 720198199 /nfs/dbraw/zinc/19/81/99/720198199.db2.gz CIJSPQMRJKDQNT-KRWDZBQOSA-N 1 0 417.514 0.847 20 0 HCADRO COCCOc1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nn1 ZINC001164713445 720197924 /nfs/dbraw/zinc/19/79/24/720197924.db2.gz CIJSPQMRJKDQNT-QGZVFWFLSA-N 1 0 417.514 0.847 20 0 HCADRO CNC(=O)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nn1 ZINC001164714043 720200563 /nfs/dbraw/zinc/20/05/63/720200563.db2.gz FVBWHGUZOSEVLA-INIZCTEOSA-N 1 0 400.487 0.181 20 0 HCADRO CNC(=O)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nn1 ZINC001164714045 720200973 /nfs/dbraw/zinc/20/09/73/720200973.db2.gz FVBWHGUZOSEVLA-MRXNPFEDSA-N 1 0 400.487 0.181 20 0 HCADRO CN(C)C(=O)c1cncc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164714576 720198583 /nfs/dbraw/zinc/19/85/83/720198583.db2.gz GVCYXQUTFKOLOT-KRWDZBQOSA-N 1 0 414.514 0.523 20 0 HCADRO CN(C)C(=O)c1cncc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164714580 720198938 /nfs/dbraw/zinc/19/89/38/720198938.db2.gz GVCYXQUTFKOLOT-QGZVFWFLSA-N 1 0 414.514 0.523 20 0 HCADRO COC(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164714712 720171776 /nfs/dbraw/zinc/17/17/76/720171776.db2.gz RRBKCOCTUUCZAI-INIZCTEOSA-N 1 0 401.471 0.608 20 0 HCADRO COC(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164714715 720171653 /nfs/dbraw/zinc/17/16/53/720171653.db2.gz RRBKCOCTUUCZAI-MRXNPFEDSA-N 1 0 401.471 0.608 20 0 HCADRO Cn1nnc2c1CCN(c1cc(S(N)(=O)=O)ccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715041 720200627 /nfs/dbraw/zinc/20/06/27/720200627.db2.gz IPYUAUBEXJPSSZ-INIZCTEOSA-N 1 0 421.527 0.074 20 0 HCADRO Cn1nnc2c1CCN(c1cc(S(N)(=O)=O)ccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715044 720200470 /nfs/dbraw/zinc/20/04/70/720200470.db2.gz IPYUAUBEXJPSSZ-MRXNPFEDSA-N 1 0 421.527 0.074 20 0 HCADRO Cc1nc(N(C)C)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164715380 720186695 /nfs/dbraw/zinc/18/66/95/720186695.db2.gz AJBPTOLOODMJQA-INIZCTEOSA-N 1 0 401.519 0.591 20 0 HCADRO Cc1nc(N(C)C)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164715381 720187164 /nfs/dbraw/zinc/18/71/64/720187164.db2.gz AJBPTOLOODMJQA-MRXNPFEDSA-N 1 0 401.519 0.591 20 0 HCADRO Cn1nnc2c1CCN(c1ncccc1S(C)(=O)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001164715404 720175002 /nfs/dbraw/zinc/17/50/02/720175002.db2.gz BASAMTVYTMEURB-INIZCTEOSA-N 1 0 420.539 0.830 20 0 HCADRO Cn1nnc2c1CCN(c1ncccc1S(C)(=O)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715405 720175561 /nfs/dbraw/zinc/17/55/61/720175561.db2.gz BASAMTVYTMEURB-MRXNPFEDSA-N 1 0 420.539 0.830 20 0 HCADRO COC(=O)c1nccnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715662 720171725 /nfs/dbraw/zinc/17/17/25/720171725.db2.gz VVAMBIDHPKFMCT-HNNXBMFYSA-N 1 0 401.471 0.608 20 0 HCADRO COC(=O)c1nccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715665 720171684 /nfs/dbraw/zinc/17/16/84/720171684.db2.gz VVAMBIDHPKFMCT-OAHLLOKOSA-N 1 0 401.471 0.608 20 0 HCADRO Cn1nnc2c1CCN(c1ncc(Cl)nc1C(N)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715878 720187374 /nfs/dbraw/zinc/18/73/74/720187374.db2.gz CUXYGKRJSZSAGW-CYBMUJFWSA-N 1 0 420.905 0.574 20 0 HCADRO Cn1nnc2c1CCN(c1ncc(Cl)nc1C(N)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001164715879 720187044 /nfs/dbraw/zinc/18/70/44/720187044.db2.gz CUXYGKRJSZSAGW-ZDUSSCGKSA-N 1 0 420.905 0.574 20 0 HCADRO Cn1nnc2c1CCN(c1ccc(S(N)(=O)=O)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715920 720178091 /nfs/dbraw/zinc/17/80/91/720178091.db2.gz DPCPPVYJQHTVAT-INIZCTEOSA-N 1 0 421.527 0.074 20 0 HCADRO Cn1nnc2c1CCN(c1ccc(S(N)(=O)=O)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715921 720178491 /nfs/dbraw/zinc/17/84/91/720178491.db2.gz DPCPPVYJQHTVAT-MRXNPFEDSA-N 1 0 421.527 0.074 20 0 HCADRO CNC(=O)CN1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3C[NH2+]CC4)C2)C1 ZINC001164716215 720212655 /nfs/dbraw/zinc/21/26/55/720212655.db2.gz AWOHNHMADIJSJH-IBGZPJMESA-N 1 0 408.934 0.441 20 0 HCADRO CNC(=O)CN1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3C[NH2+]CC4)C2)C1 ZINC001164716222 720213842 /nfs/dbraw/zinc/21/38/42/720213842.db2.gz AWOHNHMADIJSJH-LJQANCHMSA-N 1 0 408.934 0.441 20 0 HCADRO C[C@@H]1C(=O)Nc2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c21 ZINC001164716560 720185391 /nfs/dbraw/zinc/18/53/91/720185391.db2.gz HOUZYBQAXAEKRM-DZGCQCFKSA-N 1 0 412.498 0.877 20 0 HCADRO C[C@H]1C(=O)Nc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c21 ZINC001164716561 720186057 /nfs/dbraw/zinc/18/60/57/720186057.db2.gz HOUZYBQAXAEKRM-HIFRSBDPSA-N 1 0 412.498 0.877 20 0 HCADRO C[C@H]1C(=O)Nc2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c21 ZINC001164716562 720186275 /nfs/dbraw/zinc/18/62/75/720186275.db2.gz HOUZYBQAXAEKRM-UKRRQHHQSA-N 1 0 412.498 0.877 20 0 HCADRO C[C@@H]1C(=O)Nc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c21 ZINC001164716563 720185674 /nfs/dbraw/zinc/18/56/74/720185674.db2.gz HOUZYBQAXAEKRM-ZFWWWQNUSA-N 1 0 412.498 0.877 20 0 HCADRO Cn1nnc2c1CCN(c1ccc3c(n1)NC(=O)CO3)[C@H]2COCC[NH+]1CCCC1 ZINC001164717002 720185700 /nfs/dbraw/zinc/18/57/00/720185700.db2.gz ISFKXXYWLRMQFC-HNNXBMFYSA-N 1 0 413.482 0.757 20 0 HCADRO Cn1nnc2c1CCN(c1ccc3c(n1)NC(=O)CO3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717003 720186289 /nfs/dbraw/zinc/18/62/89/720186289.db2.gz ISFKXXYWLRMQFC-OAHLLOKOSA-N 1 0 413.482 0.757 20 0 HCADRO Cn1nnc2c1CCN(c1nc(Cl)cc(C(N)=O)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717012 720176210 /nfs/dbraw/zinc/17/62/10/720176210.db2.gz JADCCVZWASARGO-AWEZNQCLSA-N 1 0 420.905 0.574 20 0 HCADRO Cn1nnc2c1CCN(c1nc(Cl)cc(C(N)=O)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717013 720176403 /nfs/dbraw/zinc/17/64/03/720176403.db2.gz JADCCVZWASARGO-CQSZACIVSA-N 1 0 420.905 0.574 20 0 HCADRO Cn1nnc2c1CCN(c1nc(Cl)cnc1C(N)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717106 720176289 /nfs/dbraw/zinc/17/62/89/720176289.db2.gz KVJNPNQFKVKCBX-CYBMUJFWSA-N 1 0 420.905 0.574 20 0 HCADRO Cn1nnc2c1CCN(c1nc(Cl)cnc1C(N)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001164717108 720175852 /nfs/dbraw/zinc/17/58/52/720175852.db2.gz KVJNPNQFKVKCBX-ZDUSSCGKSA-N 1 0 420.905 0.574 20 0 HCADRO CCOC(=O)c1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)ncn1 ZINC001164717110 720175194 /nfs/dbraw/zinc/17/51/94/720175194.db2.gz KVVQCHAGMKOYRF-KRWDZBQOSA-N 1 0 415.498 0.998 20 0 HCADRO CCOC(=O)c1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ncn1 ZINC001164717111 720174928 /nfs/dbraw/zinc/17/49/28/720174928.db2.gz KVVQCHAGMKOYRF-QGZVFWFLSA-N 1 0 415.498 0.998 20 0 HCADRO Cn1nnc2c1CCN(c1ccc(S(C)(=O)=O)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717120 720194014 /nfs/dbraw/zinc/19/40/14/720194014.db2.gz SIWIFNNIMOXLFV-KRWDZBQOSA-N 1 0 420.539 0.830 20 0 HCADRO Cn1nnc2c1CCN(c1ccc(S(C)(=O)=O)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717122 720193863 /nfs/dbraw/zinc/19/38/63/720193863.db2.gz SIWIFNNIMOXLFV-QGZVFWFLSA-N 1 0 420.539 0.830 20 0 HCADRO CCOC(=O)c1nccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164717160 720198558 /nfs/dbraw/zinc/19/85/58/720198558.db2.gz TUUDTHHRAUFONH-INIZCTEOSA-N 1 0 415.498 0.998 20 0 HCADRO CCOC(=O)c1nccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164717161 720198963 /nfs/dbraw/zinc/19/89/63/720198963.db2.gz TUUDTHHRAUFONH-MRXNPFEDSA-N 1 0 415.498 0.998 20 0 HCADRO Cn1nnc2c1CCN(c1cccc(S(N)(=O)=O)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717214 720206032 /nfs/dbraw/zinc/20/60/32/720206032.db2.gz GPHISWOLJBNXLW-HNNXBMFYSA-N 1 0 421.527 0.074 20 0 HCADRO Cn1nnc2c1CCN(c1cccc(S(N)(=O)=O)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717215 720205746 /nfs/dbraw/zinc/20/57/46/720205746.db2.gz GPHISWOLJBNXLW-OAHLLOKOSA-N 1 0 421.527 0.074 20 0 HCADRO CCOC(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cn1 ZINC001164717687 720179993 /nfs/dbraw/zinc/17/99/93/720179993.db2.gz LMRMKYCUMGCIQG-KRWDZBQOSA-N 1 0 415.498 0.998 20 0 HCADRO CCOC(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)cn1 ZINC001164717689 720179783 /nfs/dbraw/zinc/17/97/83/720179783.db2.gz LMRMKYCUMGCIQG-QGZVFWFLSA-N 1 0 415.498 0.998 20 0 HCADRO Cn1nnc2c1CCN(c1ncc(F)cc1C(N)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001164718165 720192860 /nfs/dbraw/zinc/19/28/60/720192860.db2.gz YGBLAPNUPHQSRV-INIZCTEOSA-N 1 0 403.462 0.664 20 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/nfs/dbraw/zinc/17/41/05/720174105.db2.gz QNCNBIZJTSTCJR-CYBMUJFWSA-N 1 0 408.894 0.878 20 0 HCADRO COc1nc(Cl)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164718759 720174333 /nfs/dbraw/zinc/17/43/33/720174333.db2.gz QNCNBIZJTSTCJR-ZDUSSCGKSA-N 1 0 408.894 0.878 20 0 HCADRO CCOC(=O)c1nccnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718778 720181912 /nfs/dbraw/zinc/18/19/12/720181912.db2.gz QYIVBNUUTKELBK-INIZCTEOSA-N 1 0 415.498 0.998 20 0 HCADRO CCOC(=O)c1nccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718779 720182140 /nfs/dbraw/zinc/18/21/40/720182140.db2.gz QYIVBNUUTKELBK-MRXNPFEDSA-N 1 0 415.498 0.998 20 0 HCADRO Cn1nnc2c1CCN(c1ccc3c(n1)OCC(=O)N3)[C@H]2COCC[NH+]1CCCC1 ZINC001164718798 720181510 /nfs/dbraw/zinc/18/15/10/720181510.db2.gz RPHIZDCBOSSFNZ-INIZCTEOSA-N 1 0 413.482 0.757 20 0 HCADRO Cn1nnc2c1CCN(c1ccc3c(n1)OCC(=O)N3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718799 720182127 /nfs/dbraw/zinc/18/21/27/720182127.db2.gz RPHIZDCBOSSFNZ-MRXNPFEDSA-N 1 0 413.482 0.757 20 0 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ZINC001164752658 720852766 /nfs/dbraw/zinc/85/27/66/720852766.db2.gz UDIKSYNPDGBXQV-JFIYKMOQSA-N 1 0 417.539 0.700 20 0 HCADRO NS(=O)(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164752660 720852745 /nfs/dbraw/zinc/85/27/45/720852745.db2.gz UDIKSYNPDGBXQV-LZLYRXPVSA-N 1 0 417.539 0.700 20 0 HCADRO NS(=O)(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164752663 720852601 /nfs/dbraw/zinc/85/26/01/720852601.db2.gz UDIKSYNPDGBXQV-SOLBZPMBSA-N 1 0 417.539 0.700 20 0 HCADRO NS(=O)(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164752666 720853007 /nfs/dbraw/zinc/85/30/07/720853007.db2.gz UDIKSYNPDGBXQV-XYJFISCASA-N 1 0 417.539 0.700 20 0 HCADRO CN1CCc2nc(Cl)nc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c2C1 ZINC001164753154 720968295 /nfs/dbraw/zinc/96/82/95/720968295.db2.gz AGRCRUPPYHCCDE-UHFFFAOYSA-N 1 0 419.917 0.960 20 0 HCADRO CN1CCN(c2nccc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)n2)CC1 ZINC001164753242 720966307 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HCADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164754705 720965119 /nfs/dbraw/zinc/96/51/19/720965119.db2.gz UOBICPPPLYMOHW-UHFFFAOYSA-N 1 0 409.450 0.470 20 0 HCADRO CON(C)C(=O)c1ccnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1 ZINC001164754716 720966859 /nfs/dbraw/zinc/96/68/59/720966859.db2.gz UYHRZYKEZIGPQT-UHFFFAOYSA-N 1 0 402.455 0.557 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1 ZINC001164754751 720962552 /nfs/dbraw/zinc/96/25/52/720962552.db2.gz WUARXIASPNXZPQ-UHFFFAOYSA-N 1 0 422.511 0.174 20 0 HCADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3c1NC(=O)CS3)CC2 ZINC001164754756 720970133 /nfs/dbraw/zinc/97/01/33/720970133.db2.gz WXWHIHPGIRFWHE-UHFFFAOYSA-N 1 0 403.468 0.363 20 0 HCADRO COC(=O)c1ncnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1OC ZINC001164754765 720969699 /nfs/dbraw/zinc/96/96/99/720969699.db2.gz XLBCWVYNBCPCFY-UHFFFAOYSA-N 1 0 404.427 0.114 20 0 HCADRO CCS(=O)(=O)c1ccnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1 ZINC001164754969 720969578 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UWWZFUDHPKHUHH-QGZVFWFLSA-N 1 0 423.525 0.861 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CCn4c(CNC(=O)c5ccno5)cnc4C3)nn2)CC1 ZINC001164764954 721268207 /nfs/dbraw/zinc/26/82/07/721268207.db2.gz ILBLEPCIPFAXJH-UHFFFAOYSA-N 1 0 423.481 0.363 20 0 HCADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)C[C@@H]3C2)cn1 ZINC001164765706 721102554 /nfs/dbraw/zinc/10/25/54/721102554.db2.gz JPYRRHOWBUAGSJ-MSOLQXFVSA-N 1 0 424.553 0.973 20 0 HCADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)C[C@H]3C2)cn1 ZINC001164765710 721103087 /nfs/dbraw/zinc/10/30/87/721103087.db2.gz JPYRRHOWBUAGSJ-QZTJIDSGSA-N 1 0 424.553 0.973 20 0 HCADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)C[C@@H]3C2)cn1 ZINC001164765713 721103656 /nfs/dbraw/zinc/10/36/56/721103656.db2.gz JPYRRHOWBUAGSJ-ROUUACIJSA-N 1 0 424.553 0.973 20 0 HCADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)C[C@H]3C2)cn1 ZINC001164765716 721102221 /nfs/dbraw/zinc/10/22/21/721102221.db2.gz JPYRRHOWBUAGSJ-ZWKOTPCHSA-N 1 0 424.553 0.973 20 0 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O=C(c1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1)N1CCS(=O)(=O)CC1 ZINC001164768022 721301118 /nfs/dbraw/zinc/30/11/18/721301118.db2.gz DGIRXYZIMRLVRM-UHFFFAOYSA-N 1 0 404.536 0.874 20 0 HCADRO C[NH+]1CCN(c2cccc(N3CCn4c(CNC(=O)c5ccno5)cnc4C3)n2)CC1 ZINC001164768343 721268872 /nfs/dbraw/zinc/26/88/72/721268872.db2.gz UFWIAPXQBHMEBE-UHFFFAOYSA-N 1 0 422.493 0.968 20 0 HCADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)C[C@@H]3C2)cn1 ZINC001164770801 721186050 /nfs/dbraw/zinc/18/60/50/721186050.db2.gz OOFDYNUBYVFZRV-MSOLQXFVSA-N 1 0 424.553 0.608 20 0 HCADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)C[C@H]3C2)cn1 ZINC001164770803 721184995 /nfs/dbraw/zinc/18/49/95/721184995.db2.gz OOFDYNUBYVFZRV-QZTJIDSGSA-N 1 0 424.553 0.608 20 0 HCADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)C[C@@H]3C2)cn1 ZINC001164770805 721185673 /nfs/dbraw/zinc/18/56/73/721185673.db2.gz OOFDYNUBYVFZRV-ROUUACIJSA-N 1 0 424.553 0.608 20 0 HCADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)C[C@H]3C2)cn1 ZINC001164770807 721185014 /nfs/dbraw/zinc/18/50/14/721185014.db2.gz OOFDYNUBYVFZRV-ZWKOTPCHSA-N 1 0 424.553 0.608 20 0 HCADRO CN1CCN(c2nccc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)c3ncccn3)n2)CC1 ZINC001164789096 721484539 /nfs/dbraw/zinc/48/45/39/721484539.db2.gz BDBGOGGVLYPKMK-BZSNNMDCSA-N 1 0 410.526 0.781 20 0 HCADRO CN1CCN(c2nccc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@H]43)c3ncccn3)n2)CC1 ZINC001164789097 721484729 /nfs/dbraw/zinc/48/47/29/721484729.db2.gz BDBGOGGVLYPKMK-KSZLIROESA-N 1 0 410.526 0.781 20 0 HCADRO CN1CCN(c2nccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@@H]34)c3ncccn3)n2)CC1 ZINC001164789098 721484431 /nfs/dbraw/zinc/48/44/31/721484431.db2.gz BDBGOGGVLYPKMK-KURKYZTESA-N 1 0 410.526 0.781 20 0 HCADRO CN1CCN(c2nccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@H]34)c3ncccn3)n2)CC1 ZINC001164789099 721484679 /nfs/dbraw/zinc/48/46/79/721484679.db2.gz BDBGOGGVLYPKMK-SQNIBIBYSA-N 1 0 410.526 0.781 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@@H]4C3)nn2)CC1 ZINC001164792354 721479137 /nfs/dbraw/zinc/47/91/37/721479137.db2.gz MSQXOCOUEFILNX-BZSNNMDCSA-N 1 0 416.526 0.624 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@H]4C3)nn2)CC1 ZINC001164792355 721479288 /nfs/dbraw/zinc/47/92/88/721479288.db2.gz MSQXOCOUEFILNX-KSZLIROESA-N 1 0 416.526 0.624 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@H]4C3)nn2)CC1 ZINC001164792356 721479379 /nfs/dbraw/zinc/47/93/79/721479379.db2.gz MSQXOCOUEFILNX-KURKYZTESA-N 1 0 416.526 0.624 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@@H]4C3)nn2)CC1 ZINC001164792357 721479193 /nfs/dbraw/zinc/47/91/93/721479193.db2.gz MSQXOCOUEFILNX-SQNIBIBYSA-N 1 0 416.526 0.624 20 0 HCADRO CN1CCN(c2ccc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)c3ncccn3)nn2)CC1 ZINC001164793299 721484155 /nfs/dbraw/zinc/48/41/55/721484155.db2.gz UHRRSBKQMATXMI-BZSNNMDCSA-N 1 0 410.526 0.781 20 0 HCADRO CN1CCN(c2ccc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@H]43)c3ncccn3)nn2)CC1 ZINC001164793300 721484196 /nfs/dbraw/zinc/48/41/96/721484196.db2.gz UHRRSBKQMATXMI-KSZLIROESA-N 1 0 410.526 0.781 20 0 HCADRO CN1CCN(c2ccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@@H]34)c3ncccn3)nn2)CC1 ZINC001164793301 721483944 /nfs/dbraw/zinc/48/39/44/721483944.db2.gz UHRRSBKQMATXMI-KURKYZTESA-N 1 0 410.526 0.781 20 0 HCADRO CN1CCN(c2ccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@H]34)c3ncccn3)nn2)CC1 ZINC001164793302 721484005 /nfs/dbraw/zinc/48/40/05/721484005.db2.gz UHRRSBKQMATXMI-SQNIBIBYSA-N 1 0 410.526 0.781 20 0 HCADRO COC(=O)c1ccc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1OC ZINC001164793999 721509906 /nfs/dbraw/zinc/50/99/06/721509906.db2.gz AMASSFQUXBLIMO-UHFFFAOYSA-N 1 0 400.483 0.841 20 0 HCADRO C[C@H]1C(=O)Nc2cnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc2N1C ZINC001164794024 721514666 /nfs/dbraw/zinc/51/46/66/721514666.db2.gz BKYRDURBXJJFAL-AWEZNQCLSA-N 1 0 411.514 0.218 20 0 HCADRO C[C@@H]1C(=O)Nc2cnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc2N1C ZINC001164794025 721514328 /nfs/dbraw/zinc/51/43/28/721514328.db2.gz BKYRDURBXJJFAL-CQSZACIVSA-N 1 0 411.514 0.218 20 0 HCADRO COC(=O)c1cc(OC)cnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794036 721511334 /nfs/dbraw/zinc/51/13/34/721511334.db2.gz CBALSBVDNIEBFG-UHFFFAOYSA-N 1 0 400.483 0.841 20 0 HCADRO CCOC(=O)c1cnc(OC)nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794059 721512314 /nfs/dbraw/zinc/51/23/14/721512314.db2.gz DEQCJDPZGMQZQU-UHFFFAOYSA-N 1 0 415.498 0.626 20 0 HCADRO COC(=O)c1cnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)cc1OC ZINC001164794105 721510217 /nfs/dbraw/zinc/51/02/17/721510217.db2.gz FWQVLHJRIVYWFB-UHFFFAOYSA-N 1 0 400.483 0.841 20 0 HCADRO Cn1cnc2c1nc(Cl)nc2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794208 721511949 /nfs/dbraw/zinc/51/19/49/721511949.db2.gz KUQDJZSJTHETJW-UHFFFAOYSA-N 1 0 401.906 0.981 20 0 HCADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccnc(-n4ccccc4=O)n2)CC3)CC1 ZINC001164794252 721520038 /nfs/dbraw/zinc/52/00/38/721520038.db2.gz AJXYRJAZHZYWAU-UHFFFAOYSA-N 1 0 406.494 0.592 20 0 HCADRO COC(=O)c1nc(Cl)cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164794276 721520726 /nfs/dbraw/zinc/52/07/26/721520726.db2.gz BCDREOWJTYIPEZ-UHFFFAOYSA-N 1 0 405.890 0.881 20 0 HCADRO COC(=O)c1nc(Cl)cnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794323 721514747 /nfs/dbraw/zinc/51/47/47/721514747.db2.gz NVSKQTLLNGRKAV-UHFFFAOYSA-N 1 0 405.890 0.881 20 0 HCADRO COC(=O)Cc1c(Cl)ncnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794545 721512087 /nfs/dbraw/zinc/51/20/87/721512087.db2.gz RSYAVQSMMSUDHC-UHFFFAOYSA-N 1 0 419.917 0.810 20 0 HCADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)c(F)cc2C(N)=O)CC3)CC1 ZINC001164794585 721511094 /nfs/dbraw/zinc/51/10/94/721511094.db2.gz SIQIMEGXBGITTN-UHFFFAOYSA-N 1 0 407.881 0.937 20 0 HCADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4c2NC(=O)CS4)CC3)CC1 ZINC001164795320 721522444 /nfs/dbraw/zinc/52/24/44/721522444.db2.gz MKCUEJZZTDSMLJ-UHFFFAOYSA-N 1 0 400.512 0.485 20 0 HCADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(CN4CCOCC4)cn2)CC3)CC1 ZINC001164795528 721509613 /nfs/dbraw/zinc/50/96/13/721509613.db2.gz KYNMLYGHLXZTSV-UHFFFAOYSA-N 1 0 411.554 0.878 20 0 HCADRO CCNC(=O)c1cc(Cl)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164795678 721522640 /nfs/dbraw/zinc/52/26/40/721522640.db2.gz RGIZBCGQRNNPEI-UHFFFAOYSA-N 1 0 418.933 0.844 20 0 HCADRO CCS(=O)(=O)c1ccnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1 ZINC001164795679 721522459 /nfs/dbraw/zinc/52/24/59/721522459.db2.gz RGQKBBUNYBDZLS-UHFFFAOYSA-N 1 0 404.540 0.839 20 0 HCADRO COCCOC(=O)c1ccnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1 ZINC001164795847 721521409 /nfs/dbraw/zinc/52/14/09/721521409.db2.gz TVVMSTMFQVRWNS-UHFFFAOYSA-N 1 0 414.510 0.849 20 0 HCADRO COC(=O)CSc1cncc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164795869 721519815 /nfs/dbraw/zinc/51/98/15/721519815.db2.gz TXXQXFQLPBPXQA-UHFFFAOYSA-N 1 0 417.539 0.706 20 0 HCADRO CNC(=O)c1cc(Cl)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164795874 721522814 /nfs/dbraw/zinc/52/28/14/721522814.db2.gz UAPNTZQNKXNWIY-UHFFFAOYSA-N 1 0 404.906 0.454 20 0 HCADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(N4CCSCC4)ncn2)CC3)CC1 ZINC001164796105 721520742 /nfs/dbraw/zinc/52/07/42/721520742.db2.gz VLMBTAHAGPPQAK-UHFFFAOYSA-N 1 0 414.583 0.994 20 0 HCADRO COC(=O)c1ncnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1OC ZINC001164796117 721522715 /nfs/dbraw/zinc/52/27/15/721522715.db2.gz VRTIOYQRVKMXJW-UHFFFAOYSA-N 1 0 401.471 0.236 20 0 HCADRO COC(=O)c1cnc(Cl)nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164796227 721508855 /nfs/dbraw/zinc/50/88/55/721508855.db2.gz QEEPCTLBRGVHEH-UHFFFAOYSA-N 1 0 405.890 0.881 20 0 HCADRO COC(=O)c1cc(Cl)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164796619 721508985 /nfs/dbraw/zinc/50/89/85/721508985.db2.gz UMJKBBHJQQYLHK-UHFFFAOYSA-N 1 0 405.890 0.881 20 0 HCADRO CON(C)C(=O)c1cc(C)cnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164797098 721517310 /nfs/dbraw/zinc/51/73/10/721517310.db2.gz GJFJZNLSAIHXGL-UHFFFAOYSA-N 1 0 413.526 0.988 20 0 HCADRO COC(=O)c1nc2cnccc2c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164797286 721515256 /nfs/dbraw/zinc/51/52/56/721515256.db2.gz JPWWZQDNOPIWFW-UHFFFAOYSA-N 1 0 422.493 0.776 20 0 HCADRO COC(OC)c1c(CO)ccnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164797328 721517683 /nfs/dbraw/zinc/51/76/83/721517683.db2.gz KHMDTVQTUQOGFY-UHFFFAOYSA-N 1 0 416.526 0.829 20 0 HCADRO CCNS(=O)(=O)c1cccnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164797778 721516059 /nfs/dbraw/zinc/51/60/59/721516059.db2.gz MZQOJQYLEGUBOE-UHFFFAOYSA-N 1 0 419.555 0.344 20 0 HCADRO COC(=O)c1cc2cnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc2n1C ZINC001164797789 721517987 /nfs/dbraw/zinc/51/79/87/721517987.db2.gz NIHRAOMKHPWJDH-UHFFFAOYSA-N 1 0 424.509 0.719 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1 ZINC001164798321 721518685 /nfs/dbraw/zinc/51/86/85/721518685.db2.gz RYKBTQSHPHMANN-UHFFFAOYSA-N 1 0 419.555 0.296 20 0 HCADRO CCNS(=O)(=O)c1ccc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1 ZINC001164798387 721518575 /nfs/dbraw/zinc/51/85/75/721518575.db2.gz SZWRMOKHLVXIQW-UHFFFAOYSA-N 1 0 419.555 0.344 20 0 HCADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(CN4C(=O)CCC4=O)cn2)CC3)CC1 ZINC001164799047 721516527 /nfs/dbraw/zinc/51/65/27/721516527.db2.gz VZVPDGMDLSCPOS-UHFFFAOYSA-N 1 0 423.521 0.695 20 0 HCADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc4c2CNC4=O)CC3)CC1 ZINC001164799071 721516141 /nfs/dbraw/zinc/51/61/41/721516141.db2.gz WITUYVBOLBFVGX-UHFFFAOYSA-N 1 0 401.902 0.943 20 0 HCADRO CN1CCOc2c(Cl)nnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c21 ZINC001164799088 721518259 /nfs/dbraw/zinc/51/82/59/721518259.db2.gz WOCAGXLMUPETCW-UHFFFAOYSA-N 1 0 418.933 0.923 20 0 HCADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@@H]43)n2)CC1 ZINC001164799477 721595828 /nfs/dbraw/zinc/59/58/28/721595828.db2.gz MIKOODONXNHUGO-BZSNNMDCSA-N 1 0 401.511 0.428 20 0 HCADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@H]43)n2)CC1 ZINC001164799479 721595864 /nfs/dbraw/zinc/59/58/64/721595864.db2.gz MIKOODONXNHUGO-FGTMMUONSA-N 1 0 401.511 0.428 20 0 HCADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@@H]43)n2)CC1 ZINC001164799481 721595773 /nfs/dbraw/zinc/59/57/73/721595773.db2.gz MIKOODONXNHUGO-OKZBNKHCSA-N 1 0 401.511 0.428 20 0 HCADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@H]43)n2)CC1 ZINC001164799483 721595846 /nfs/dbraw/zinc/59/58/46/721595846.db2.gz MIKOODONXNHUGO-SQNIBIBYSA-N 1 0 401.511 0.428 20 0 HCADRO C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@H]43)n2)CC1 ZINC001164799583 721598658 /nfs/dbraw/zinc/59/86/58/721598658.db2.gz IPNSGUMKGQDPCN-BPQIPLTHSA-N 1 0 409.494 0.257 20 0 HCADRO C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@@H]43)n2)CC1 ZINC001164799585 721598556 /nfs/dbraw/zinc/59/85/56/721598556.db2.gz IPNSGUMKGQDPCN-NJAFHUGGSA-N 1 0 409.494 0.257 20 0 HCADRO C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@H]43)n2)CC1 ZINC001164799587 721598566 /nfs/dbraw/zinc/59/85/66/721598566.db2.gz IPNSGUMKGQDPCN-RYQLBKOJSA-N 1 0 409.494 0.257 20 0 HCADRO C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@@H]43)n2)CC1 ZINC001164799589 721598651 /nfs/dbraw/zinc/59/86/51/721598651.db2.gz IPNSGUMKGQDPCN-SZMVWBNQSA-N 1 0 409.494 0.257 20 0 HCADRO O=C(N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001164801585 721598489 /nfs/dbraw/zinc/59/84/89/721598489.db2.gz PEILRUCECREXJM-BHIYHBOVSA-N 1 0 424.505 0.980 20 0 HCADRO O=C(N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2COC[C@@H]21)c1cnccn1 ZINC001164801590 721598580 /nfs/dbraw/zinc/59/85/80/721598580.db2.gz PEILRUCECREXJM-QRQLOZEOSA-N 1 0 424.505 0.980 20 0 HCADRO O=C(N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2COC[C@@H]12)c1cnccn1 ZINC001164801596 721598505 /nfs/dbraw/zinc/59/85/05/721598505.db2.gz PEILRUCECREXJM-QXAKKESOSA-N 1 0 424.505 0.980 20 0 HCADRO O=C(N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2COC[C@H]21)c1cnccn1 ZINC001164801601 721598513 /nfs/dbraw/zinc/59/85/13/721598513.db2.gz PEILRUCECREXJM-UHOSZYNNSA-N 1 0 424.505 0.980 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CCOC[C@@]4(CC[C@@H](Cn5cccn5)O4)C3)nn2)CC1 ZINC001164803214 721607058 /nfs/dbraw/zinc/60/70/58/721607058.db2.gz JJGJTPBAMWOOSZ-GHTZIAJQSA-N 1 0 413.526 0.880 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CCOC[C@]4(CC[C@H](Cn5cccn5)O4)C3)nn2)CC1 ZINC001164803216 721607115 /nfs/dbraw/zinc/60/71/15/721607115.db2.gz JJGJTPBAMWOOSZ-NQIIRXRSSA-N 1 0 413.526 0.880 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CCOC[C@]4(CC[C@@H](Cn5cccn5)O4)C3)nn2)CC1 ZINC001164803218 721607149 /nfs/dbraw/zinc/60/71/49/721607149.db2.gz JJGJTPBAMWOOSZ-RXVVDRJESA-N 1 0 413.526 0.880 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CCOC[C@@]4(CC[C@H](Cn5cccn5)O4)C3)nn2)CC1 ZINC001164803220 721607157 /nfs/dbraw/zinc/60/71/57/721607157.db2.gz JJGJTPBAMWOOSZ-WIYYLYMNSA-N 1 0 413.526 0.880 20 0 HCADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1S(N)(=O)=O)CCC2 ZINC001164811473 720213078 /nfs/dbraw/zinc/21/30/78/720213078.db2.gz IJIPENPUPCXLSX-UHFFFAOYSA-N 1 0 406.512 0.536 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1 ZINC001164812771 720235852 /nfs/dbraw/zinc/23/58/52/720235852.db2.gz IAVPYYKEHRCXHZ-UHFFFAOYSA-N 1 0 420.539 0.797 20 0 HCADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(S(N)(=O)=O)ccn1)CCC2 ZINC001164812805 720242643 /nfs/dbraw/zinc/24/26/43/720242643.db2.gz IOSRSTOCNDODMB-UHFFFAOYSA-N 1 0 406.512 0.536 20 0 HCADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3c(n1)N(C)CC(=O)N3)CCC2 ZINC001164813991 720227265 /nfs/dbraw/zinc/22/72/65/720227265.db2.gz QQCMLJBKJIXFNI-UHFFFAOYSA-N 1 0 412.498 0.672 20 0 HCADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(S(N)(=O)=O)cn1)CCC2 ZINC001164814060 720220090 /nfs/dbraw/zinc/22/00/90/720220090.db2.gz RWPNOSYCOIZWRX-UHFFFAOYSA-N 1 0 406.512 0.536 20 0 HCADRO CNS(=O)(=O)c1cccnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814487 720229705 /nfs/dbraw/zinc/22/97/05/720229705.db2.gz VEBYHZHPHLAWQH-UHFFFAOYSA-N 1 0 420.539 0.797 20 0 HCADRO C[NH+]1CCN(c2ccc(N3Cc4ccnn4C[C@@H](C(=O)N4CCCC4)C3)nn2)CC1 ZINC001164816303 720261751 /nfs/dbraw/zinc/26/17/51/720261751.db2.gz HQRBHPZVMXZXNJ-KRWDZBQOSA-N 1 0 410.526 0.684 20 0 HCADRO C[NH+]1CCN(c2ccc(N3Cc4ccnn4C[C@H](C(=O)N4CCCC4)C3)nn2)CC1 ZINC001164816305 720261390 /nfs/dbraw/zinc/26/13/90/720261390.db2.gz HQRBHPZVMXZXNJ-QGZVFWFLSA-N 1 0 410.526 0.684 20 0 HCADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(S(N)(=O)=O)cc1F)CCC2 ZINC001164817196 720245171 /nfs/dbraw/zinc/24/51/71/720245171.db2.gz PWEPBYGDAFJTTC-UHFFFAOYSA-N 1 0 424.502 0.675 20 0 HCADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(S(N)(=O)=O)n1)CCC2 ZINC001164817404 720245478 /nfs/dbraw/zinc/24/54/78/720245478.db2.gz RAPJIPLNTBBXDQ-UHFFFAOYSA-N 1 0 406.512 0.536 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(S(N)(=O)=O)cn2)CC1 ZINC001164818668 720312390 /nfs/dbraw/zinc/31/23/90/720312390.db2.gz BEHNHTZQVPWWPZ-DLBZAZTESA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(S(N)(=O)=O)cn2)CC1 ZINC001164818669 720312877 /nfs/dbraw/zinc/31/28/77/720312877.db2.gz BEHNHTZQVPWWPZ-IAGOWNOFSA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(S(N)(=O)=O)cn2)CC1 ZINC001164818670 720312761 /nfs/dbraw/zinc/31/27/61/720312761.db2.gz BEHNHTZQVPWWPZ-IRXDYDNUSA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(S(N)(=O)=O)cn2)CC1 ZINC001164818671 720312459 /nfs/dbraw/zinc/31/24/59/720312459.db2.gz BEHNHTZQVPWWPZ-SJORKVTESA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2S(N)(=O)=O)CC1 ZINC001164818900 720298112 /nfs/dbraw/zinc/29/81/12/720298112.db2.gz BLVOWCNUXXYQCW-CVEARBPZSA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2S(N)(=O)=O)CC1 ZINC001164818901 720297677 /nfs/dbraw/zinc/29/76/77/720297677.db2.gz BLVOWCNUXXYQCW-HOTGVXAUSA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccc2S(N)(=O)=O)CC1 ZINC001164818902 720297873 /nfs/dbraw/zinc/29/78/73/720297873.db2.gz BLVOWCNUXXYQCW-HZPDHXFCSA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2S(N)(=O)=O)CC1 ZINC001164818903 720298393 /nfs/dbraw/zinc/29/83/93/720298393.db2.gz BLVOWCNUXXYQCW-JKSUJKDBSA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(S(N)(=O)=O)nn2)CC1 ZINC001164822264 720347875 /nfs/dbraw/zinc/34/78/75/720347875.db2.gz CXVZYNNUMFZAKN-CABCVRRESA-N 1 0 408.528 0.036 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(S(N)(=O)=O)nn2)CC1 ZINC001164822266 720348154 /nfs/dbraw/zinc/34/81/54/720348154.db2.gz CXVZYNNUMFZAKN-GJZGRUSLSA-N 1 0 408.528 0.036 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(S(N)(=O)=O)nn2)CC1 ZINC001164822268 720348136 /nfs/dbraw/zinc/34/81/36/720348136.db2.gz CXVZYNNUMFZAKN-HUUCEWRRSA-N 1 0 408.528 0.036 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(S(N)(=O)=O)nn2)CC1 ZINC001164822270 720347854 /nfs/dbraw/zinc/34/78/54/720347854.db2.gz CXVZYNNUMFZAKN-LSDHHAIUSA-N 1 0 408.528 0.036 20 0 HCADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1ncc3c(n1)CC[NH2+]C3)C2 ZINC001164822707 720438262 /nfs/dbraw/zinc/43/82/62/720438262.db2.gz GXZNRPSWVBNYBO-KRWDZBQOSA-N 1 0 413.526 0.308 20 0 HCADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ncc3c(n1)CC[NH2+]C3)C2 ZINC001164822708 720438036 /nfs/dbraw/zinc/43/80/36/720438036.db2.gz GXZNRPSWVBNYBO-QGZVFWFLSA-N 1 0 413.526 0.308 20 0 HCADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1ncnc3c1CC[NH2+]C3)C2 ZINC001164823389 720439810 /nfs/dbraw/zinc/43/98/10/720439810.db2.gz IYCFHWPKBQGJGP-INIZCTEOSA-N 1 0 413.526 0.308 20 0 HCADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ncnc3c1CC[NH2+]C3)C2 ZINC001164823390 720439682 /nfs/dbraw/zinc/43/96/82/720439682.db2.gz IYCFHWPKBQGJGP-MRXNPFEDSA-N 1 0 413.526 0.308 20 0 HCADRO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]21 ZINC001164824184 720415862 /nfs/dbraw/zinc/41/58/62/720415862.db2.gz JPKPXGACCPBISD-FGTMMUONSA-N 1 0 402.543 0.842 20 0 HCADRO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]21 ZINC001164824188 720416223 /nfs/dbraw/zinc/41/62/23/720416223.db2.gz JPKPXGACCPBISD-KURKYZTESA-N 1 0 402.543 0.842 20 0 HCADRO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]21 ZINC001164824190 720415694 /nfs/dbraw/zinc/41/56/94/720415694.db2.gz JPKPXGACCPBISD-KZNAEPCWSA-N 1 0 402.543 0.842 20 0 HCADRO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]21 ZINC001164824192 720415978 /nfs/dbraw/zinc/41/59/78/720415978.db2.gz JPKPXGACCPBISD-SQNIBIBYSA-N 1 0 402.543 0.842 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(S(N)(=O)=O)ccn2)CC1 ZINC001164824204 720346259 /nfs/dbraw/zinc/34/62/59/720346259.db2.gz HPPXVYJFWSWACG-DLBZAZTESA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(S(N)(=O)=O)ccn2)CC1 ZINC001164824205 720346489 /nfs/dbraw/zinc/34/64/89/720346489.db2.gz HPPXVYJFWSWACG-IAGOWNOFSA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(S(N)(=O)=O)ccn2)CC1 ZINC001164824207 720346088 /nfs/dbraw/zinc/34/60/88/720346088.db2.gz HPPXVYJFWSWACG-IRXDYDNUSA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(S(N)(=O)=O)ccn2)CC1 ZINC001164824209 720346225 /nfs/dbraw/zinc/34/62/25/720346225.db2.gz HPPXVYJFWSWACG-SJORKVTESA-N 1 0 407.540 0.641 20 0 HCADRO CNS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824618 720327026 /nfs/dbraw/zinc/32/70/26/720327026.db2.gz CMTCCCVHCXYJRV-DLBZAZTESA-N 1 0 421.567 0.901 20 0 HCADRO CNS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824620 720327056 /nfs/dbraw/zinc/32/70/56/720327056.db2.gz CMTCCCVHCXYJRV-IAGOWNOFSA-N 1 0 421.567 0.901 20 0 HCADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ccc3c(n1)CC[NH2+]C3)C2 ZINC001164824621 720435447 /nfs/dbraw/zinc/43/54/47/720435447.db2.gz OFUBGZKDZMUQEB-GOSISDBHSA-N 1 0 412.538 0.913 20 0 HCADRO CNS(=O)(=O)c1cccnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824622 720327526 /nfs/dbraw/zinc/32/75/26/720327526.db2.gz CMTCCCVHCXYJRV-IRXDYDNUSA-N 1 0 421.567 0.901 20 0 HCADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1ccc3c(n1)CC[NH2+]C3)C2 ZINC001164824623 720434645 /nfs/dbraw/zinc/43/46/45/720434645.db2.gz OFUBGZKDZMUQEB-SFHVURJKSA-N 1 0 412.538 0.913 20 0 HCADRO CNS(=O)(=O)c1cccnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824624 720327197 /nfs/dbraw/zinc/32/71/97/720327197.db2.gz CMTCCCVHCXYJRV-SJORKVTESA-N 1 0 421.567 0.901 20 0 HCADRO CN1CC(=O)Nc2cnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164824765 720324816 /nfs/dbraw/zinc/32/48/16/720324816.db2.gz DGAPUKALUCUOLF-DLBZAZTESA-N 1 0 413.526 0.776 20 0 HCADRO CN1CC(=O)Nc2cnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164824766 720324966 /nfs/dbraw/zinc/32/49/66/720324966.db2.gz DGAPUKALUCUOLF-IAGOWNOFSA-N 1 0 413.526 0.776 20 0 HCADRO CN1CC(=O)Nc2cnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164824767 720325337 /nfs/dbraw/zinc/32/53/37/720325337.db2.gz DGAPUKALUCUOLF-IRXDYDNUSA-N 1 0 413.526 0.776 20 0 HCADRO CN1CC(=O)Nc2cnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164824768 720324934 /nfs/dbraw/zinc/32/49/34/720324934.db2.gz DGAPUKALUCUOLF-SJORKVTESA-N 1 0 413.526 0.776 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164828677 720337896 /nfs/dbraw/zinc/33/78/96/720337896.db2.gz PHZDYPWQIVFJNH-MSOLQXFVSA-N 1 0 421.567 0.901 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164828678 720338087 /nfs/dbraw/zinc/33/80/87/720338087.db2.gz PHZDYPWQIVFJNH-QZTJIDSGSA-N 1 0 421.567 0.901 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164828679 720337548 /nfs/dbraw/zinc/33/75/48/720337548.db2.gz PHZDYPWQIVFJNH-ROUUACIJSA-N 1 0 421.567 0.901 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164828681 720338141 /nfs/dbraw/zinc/33/81/41/720338141.db2.gz PHZDYPWQIVFJNH-ZWKOTPCHSA-N 1 0 421.567 0.901 20 0 HCADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cc3c(nn1)CC[NH2+]C3)C2 ZINC001164830614 720461579 /nfs/dbraw/zinc/46/15/79/720461579.db2.gz KKNWGTVDMUFSPL-KRWDZBQOSA-N 1 0 413.526 0.308 20 0 HCADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cc3c(nn1)CC[NH2+]C3)C2 ZINC001164830616 720462925 /nfs/dbraw/zinc/46/29/25/720462925.db2.gz KKNWGTVDMUFSPL-QGZVFWFLSA-N 1 0 413.526 0.308 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cccc(S(N)(=O)=O)n2)CC1 ZINC001164831256 720354599 /nfs/dbraw/zinc/35/45/99/720354599.db2.gz YMTLUEQBWGXXAY-CVEARBPZSA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cccc(S(N)(=O)=O)n2)CC1 ZINC001164831258 720354782 /nfs/dbraw/zinc/35/47/82/720354782.db2.gz YMTLUEQBWGXXAY-HOTGVXAUSA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(S(N)(=O)=O)n2)CC1 ZINC001164831260 720354772 /nfs/dbraw/zinc/35/47/72/720354772.db2.gz YMTLUEQBWGXXAY-HZPDHXFCSA-N 1 0 407.540 0.641 20 0 HCADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cccc(S(N)(=O)=O)n2)CC1 ZINC001164831262 720354329 /nfs/dbraw/zinc/35/43/29/720354329.db2.gz YMTLUEQBWGXXAY-JKSUJKDBSA-N 1 0 407.540 0.641 20 0 HCADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cc(C3C[NH2+]C3)ncn1)C2 ZINC001164832177 720483457 /nfs/dbraw/zinc/48/34/57/720483457.db2.gz JAIHNWAYKYBGLW-KRWDZBQOSA-N 1 0 413.526 0.350 20 0 HCADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cc(C3C[NH2+]C3)ncn1)C2 ZINC001164832178 720484427 /nfs/dbraw/zinc/48/44/27/720484427.db2.gz JAIHNWAYKYBGLW-QGZVFWFLSA-N 1 0 413.526 0.350 20 0 HCADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(S(N)(=O)=O)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843298 720630395 /nfs/dbraw/zinc/63/03/95/720630395.db2.gz XNJXRZJEPPLBBL-HRCADAONSA-N 1 0 405.528 0.698 20 0 HCADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(S(N)(=O)=O)nn3)CC[C@@H]21 ZINC001164843301 720630236 /nfs/dbraw/zinc/63/02/36/720630236.db2.gz XNJXRZJEPPLBBL-JYJNAYRXSA-N 1 0 405.528 0.698 20 0 HCADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(S(N)(=O)=O)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843304 720629875 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HTBJPFANOPZTOO-UHFFFAOYSA-N 1 0 406.556 0.744 20 0 HCADRO CCOC(=O)c1c(C)ncnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164875906 721274039 /nfs/dbraw/zinc/27/40/39/721274039.db2.gz ZLAKQSIESPOFSQ-UHFFFAOYSA-N 1 0 419.526 0.969 20 0 HCADRO CCOC(=O)c1cncnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164876078 721261305 /nfs/dbraw/zinc/26/13/05/721261305.db2.gz NQUWQQSJJGCXRQ-UHFFFAOYSA-N 1 0 405.499 0.660 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164876461 721140080 /nfs/dbraw/zinc/14/00/80/721140080.db2.gz MPDATJAJCLOYBJ-DLBZAZTESA-N 1 0 403.508 0.864 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164876463 721140284 /nfs/dbraw/zinc/14/02/84/721140284.db2.gz MPDATJAJCLOYBJ-IAGOWNOFSA-N 1 0 403.508 0.864 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164876465 721139494 /nfs/dbraw/zinc/13/94/94/721139494.db2.gz MPDATJAJCLOYBJ-IRXDYDNUSA-N 1 0 403.508 0.864 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164876467 721140672 /nfs/dbraw/zinc/14/06/72/721140672.db2.gz MPDATJAJCLOYBJ-SJORKVTESA-N 1 0 403.508 0.864 20 0 HCADRO CNC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164877380 721293146 /nfs/dbraw/zinc/29/31/46/721293146.db2.gz MRDIAHGEMQBHJN-UHFFFAOYSA-N 1 0 424.933 0.497 20 0 HCADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(C(=O)NC4CC4)nn3)CC2)C1 ZINC001164877433 721288920 /nfs/dbraw/zinc/28/89/20/721288920.db2.gz MTZDLWRVPMVHOG-UHFFFAOYSA-N 1 0 416.526 0.376 20 0 HCADRO Cc1nc(-n2cncn2)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164878566 721289990 /nfs/dbraw/zinc/28/99/90/721289990.db2.gz RCVMDAREFRMLLA-UHFFFAOYSA-N 1 0 414.514 0.373 20 0 HCADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(C(N)=O)nc(C4CC4)n3)CC2)C1 ZINC001164878650 721294410 /nfs/dbraw/zinc/29/44/10/721294410.db2.gz RWDRVIXXGSRUOL-UHFFFAOYSA-N 1 0 416.526 0.460 20 0 HCADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cncc(-n4cncn4)n3)CC2)C1 ZINC001164879078 721287421 /nfs/dbraw/zinc/28/74/21/721287421.db2.gz USVXHIYQXRHWPH-UHFFFAOYSA-N 1 0 400.487 0.064 20 0 HCADRO COc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc2c1ccn2C ZINC001164879094 721290882 /nfs/dbraw/zinc/29/08/82/721290882.db2.gz UTGOOGPKBGCPFP-UHFFFAOYSA-N 1 0 416.526 0.984 20 0 HCADRO CCOC(=O)c1nccc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164879118 721286967 /nfs/dbraw/zinc/28/69/67/721286967.db2.gz VCSZUXCUZOIRLQ-UHFFFAOYSA-N 1 0 405.499 0.660 20 0 HCADRO COC(=O)c1ncnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1OC ZINC001164879690 721293521 /nfs/dbraw/zinc/29/35/21/721293521.db2.gz ZKWUXBOAJSHRSI-UHFFFAOYSA-N 1 0 421.498 0.279 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4[C@H](C3)OCC(=O)N4c3cccc(F)c3)nn2)CC1 ZINC001164881848 721362651 /nfs/dbraw/zinc/36/26/51/721362651.db2.gz GDDTWWVNMQJFLL-MSOLQXFVSA-N 1 0 412.469 0.988 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@H]4OCC(=O)N(c5cccc(F)c5)[C@@H]4C3)nn2)CC1 ZINC001164881849 721362724 /nfs/dbraw/zinc/36/27/24/721362724.db2.gz GDDTWWVNMQJFLL-QZTJIDSGSA-N 1 0 412.469 0.988 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)nn2)CC1 ZINC001164881850 721362747 /nfs/dbraw/zinc/36/27/47/721362747.db2.gz GDDTWWVNMQJFLL-ROUUACIJSA-N 1 0 412.469 0.988 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)nn2)CC1 ZINC001164881851 721362631 /nfs/dbraw/zinc/36/26/31/721362631.db2.gz GDDTWWVNMQJFLL-ZWKOTPCHSA-N 1 0 412.469 0.988 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CC[C@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)nn2)CC1 ZINC001164883179 721340684 /nfs/dbraw/zinc/34/06/84/721340684.db2.gz KPNKYNLALAGUOZ-DYESRHJHSA-N 1 0 400.527 0.740 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)nn2)CC1 ZINC001164883182 721340531 /nfs/dbraw/zinc/34/05/31/721340531.db2.gz KPNKYNLALAGUOZ-LAUBAEHRSA-N 1 0 400.527 0.740 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CC[C@H]4OCC[C@]4(C(=O)NCC4CC4)C3)nn2)CC1 ZINC001164883184 721340654 /nfs/dbraw/zinc/34/06/54/721340654.db2.gz KPNKYNLALAGUOZ-UTKZUKDTSA-N 1 0 400.527 0.740 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4OCC[C@]4(C(=O)NCC4CC4)C3)nn2)CC1 ZINC001164883186 721340473 /nfs/dbraw/zinc/34/04/73/721340473.db2.gz KPNKYNLALAGUOZ-UWJYYQICSA-N 1 0 400.527 0.740 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(Cl)nc4C(N)=O)C3)O2)CC1 ZINC001164883621 721419538 /nfs/dbraw/zinc/41/95/38/721419538.db2.gz BIFSRXIEHABFLE-AUUYWEPGSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(Cl)nc4C(N)=O)C3)O2)CC1 ZINC001164883623 721419979 /nfs/dbraw/zinc/41/99/79/721419979.db2.gz BIFSRXIEHABFLE-IFXJQAMLSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(Cl)nc4C(N)=O)C3)O2)CC1 ZINC001164883626 721419674 /nfs/dbraw/zinc/41/96/74/721419674.db2.gz BIFSRXIEHABFLE-KUHUBIRLSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(Cl)nc4C(N)=O)C3)O2)CC1 ZINC001164883627 721419846 /nfs/dbraw/zinc/41/98/46/721419846.db2.gz BIFSRXIEHABFLE-LIRRHRJNSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cnc4C(N)=O)C3)O2)CC1 ZINC001164884573 721401931 /nfs/dbraw/zinc/40/19/31/721401931.db2.gz FAEMHDPXYBMZJB-AUUYWEPGSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cnc4C(N)=O)C3)O2)CC1 ZINC001164884575 721402227 /nfs/dbraw/zinc/40/22/27/721402227.db2.gz FAEMHDPXYBMZJB-IFXJQAMLSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cnc4C(N)=O)C3)O2)CC1 ZINC001164884577 721402067 /nfs/dbraw/zinc/40/20/67/721402067.db2.gz FAEMHDPXYBMZJB-KUHUBIRLSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cnc4C(N)=O)C3)O2)CC1 ZINC001164884579 721401927 /nfs/dbraw/zinc/40/19/27/721401927.db2.gz FAEMHDPXYBMZJB-LIRRHRJNSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cccc(S(N)(=O)=O)n4)C3)O2)CC1 ZINC001164886488 721451833 /nfs/dbraw/zinc/45/18/33/721451833.db2.gz GWLGZLKBAFHPCM-APWZRJJASA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cccc(S(N)(=O)=O)n4)C3)O2)CC1 ZINC001164886490 721451661 /nfs/dbraw/zinc/45/16/61/721451661.db2.gz GWLGZLKBAFHPCM-LPHOPBHVSA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cccc(S(N)(=O)=O)n4)C3)O2)CC1 ZINC001164886492 721451966 /nfs/dbraw/zinc/45/19/66/721451966.db2.gz GWLGZLKBAFHPCM-QFBILLFUSA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cccc(S(N)(=O)=O)n4)C3)O2)CC1 ZINC001164886494 721451684 /nfs/dbraw/zinc/45/16/84/721451684.db2.gz GWLGZLKBAFHPCM-VQIMIIECSA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C(N)=O)n4)C3)O2)CC1 ZINC001164888310 721401949 /nfs/dbraw/zinc/40/19/49/721401949.db2.gz OBLFYTHLEZLBLL-AUUYWEPGSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C(N)=O)n4)C3)O2)CC1 ZINC001164888313 721402089 /nfs/dbraw/zinc/40/20/89/721402089.db2.gz OBLFYTHLEZLBLL-IFXJQAMLSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C(N)=O)n4)C3)O2)CC1 ZINC001164888316 721402284 /nfs/dbraw/zinc/40/22/84/721402284.db2.gz OBLFYTHLEZLBLL-KUHUBIRLSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C(N)=O)n4)C3)O2)CC1 ZINC001164888318 721402406 /nfs/dbraw/zinc/40/24/06/721402406.db2.gz OBLFYTHLEZLBLL-LIRRHRJNSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(S(N)(=O)=O)ccn4)C3)O2)CC1 ZINC001164888678 721441954 /nfs/dbraw/zinc/44/19/54/721441954.db2.gz AFIWWLSDLORIIV-APWZRJJASA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(S(N)(=O)=O)ccn4)C3)O2)CC1 ZINC001164888679 721442091 /nfs/dbraw/zinc/44/20/91/721442091.db2.gz AFIWWLSDLORIIV-LPHOPBHVSA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(S(N)(=O)=O)ccn4)C3)O2)CC1 ZINC001164888680 721442158 /nfs/dbraw/zinc/44/21/58/721442158.db2.gz AFIWWLSDLORIIV-QFBILLFUSA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(S(N)(=O)=O)ccn4)C3)O2)CC1 ZINC001164888681 721442033 /nfs/dbraw/zinc/44/20/33/721442033.db2.gz AFIWWLSDLORIIV-VQIMIIECSA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc(Cl)c4C(N)=O)C3)O2)CC1 ZINC001164888977 721419502 /nfs/dbraw/zinc/41/95/02/721419502.db2.gz PWJCDTYVIZZQAZ-AUUYWEPGSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc(Cl)c4C(N)=O)C3)O2)CC1 ZINC001164888981 721419878 /nfs/dbraw/zinc/41/98/78/721419878.db2.gz PWJCDTYVIZZQAZ-IFXJQAMLSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc(Cl)c4C(N)=O)C3)O2)CC1 ZINC001164888984 721419784 /nfs/dbraw/zinc/41/97/84/721419784.db2.gz PWJCDTYVIZZQAZ-KUHUBIRLSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc(Cl)c4C(N)=O)C3)O2)CC1 ZINC001164888987 721419647 /nfs/dbraw/zinc/41/96/47/721419647.db2.gz PWJCDTYVIZZQAZ-LIRRHRJNSA-N 1 0 408.934 0.994 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(S(N)(=O)=O)cn4)C3)O2)CC1 ZINC001164889448 721404318 /nfs/dbraw/zinc/40/43/18/721404318.db2.gz QOJRIDZJOOUKJS-APWZRJJASA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(S(N)(=O)=O)cn4)C3)O2)CC1 ZINC001164889449 721404022 /nfs/dbraw/zinc/40/40/22/721404022.db2.gz QOJRIDZJOOUKJS-LPHOPBHVSA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(S(N)(=O)=O)cn4)C3)O2)CC1 ZINC001164889450 721405034 /nfs/dbraw/zinc/40/50/34/721405034.db2.gz QOJRIDZJOOUKJS-QFBILLFUSA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(S(N)(=O)=O)cn4)C3)O2)CC1 ZINC001164889451 721404823 /nfs/dbraw/zinc/40/48/23/721404823.db2.gz QOJRIDZJOOUKJS-VQIMIIECSA-N 1 0 409.556 0.494 20 0 HCADRO CN(C)C(=O)c1cncc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889606 721437974 /nfs/dbraw/zinc/43/79/74/721437974.db2.gz CGXGTHCNQYSODX-DYESRHJHSA-N 1 0 402.543 0.944 20 0 HCADRO CN(C)C(=O)c1cncc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889608 721438011 /nfs/dbraw/zinc/43/80/11/721438011.db2.gz CGXGTHCNQYSODX-LAUBAEHRSA-N 1 0 402.543 0.944 20 0 HCADRO CN(C)C(=O)c1cncc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889610 721438311 /nfs/dbraw/zinc/43/83/11/721438311.db2.gz CGXGTHCNQYSODX-UTKZUKDTSA-N 1 0 402.543 0.944 20 0 HCADRO CN(C)C(=O)c1cncc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889612 721437904 /nfs/dbraw/zinc/43/79/04/721437904.db2.gz CGXGTHCNQYSODX-UWJYYQICSA-N 1 0 402.543 0.944 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc5c(n4)N(C)CC(=O)N5)C3)O2)CC1 ZINC001164889882 721419925 /nfs/dbraw/zinc/41/99/25/721419925.db2.gz RUXNJGUIYAXTAI-HRAATJIYSA-N 1 0 415.542 0.630 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc5c(n4)N(C)CC(=O)N5)C3)O2)CC1 ZINC001164889889 721419817 /nfs/dbraw/zinc/41/98/17/721419817.db2.gz RUXNJGUIYAXTAI-IERDGZPVSA-N 1 0 415.542 0.630 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc5c(n4)N(C)CC(=O)N5)C3)O2)CC1 ZINC001164889893 721419612 /nfs/dbraw/zinc/41/96/12/721419612.db2.gz RUXNJGUIYAXTAI-IIBYNOLFSA-N 1 0 415.542 0.630 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc5c(n4)N(C)CC(=O)N5)C3)O2)CC1 ZINC001164889900 721419573 /nfs/dbraw/zinc/41/95/73/721419573.db2.gz RUXNJGUIYAXTAI-KKSFZXQISA-N 1 0 415.542 0.630 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164890224 721434221 /nfs/dbraw/zinc/43/42/21/721434221.db2.gz CLAPTJFUSOIIDM-FXAWDEMLSA-N 1 0 423.583 0.755 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164890225 721433763 /nfs/dbraw/zinc/43/37/63/721433763.db2.gz CLAPTJFUSOIIDM-PXNSSMCTSA-N 1 0 423.583 0.755 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164890226 721433962 /nfs/dbraw/zinc/43/39/62/721433962.db2.gz CLAPTJFUSOIIDM-XLIONFOSSA-N 1 0 423.583 0.755 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164890227 721434321 /nfs/dbraw/zinc/43/43/21/721434321.db2.gz CLAPTJFUSOIIDM-YLJYHZDGSA-N 1 0 423.583 0.755 20 0 HCADRO CNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891404 721422118 /nfs/dbraw/zinc/42/21/18/721422118.db2.gz VYEGOQRYPVGDGN-FXAWDEMLSA-N 1 0 423.583 0.755 20 0 HCADRO CNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891405 721422038 /nfs/dbraw/zinc/42/20/38/721422038.db2.gz VYEGOQRYPVGDGN-PXNSSMCTSA-N 1 0 423.583 0.755 20 0 HCADRO CNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891406 721421839 /nfs/dbraw/zinc/42/18/39/721421839.db2.gz VYEGOQRYPVGDGN-XLIONFOSSA-N 1 0 423.583 0.755 20 0 HCADRO CNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891407 721422070 /nfs/dbraw/zinc/42/20/70/721422070.db2.gz VYEGOQRYPVGDGN-YLJYHZDGSA-N 1 0 423.583 0.755 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)nn2)CC1 ZINC001164893291 721480744 /nfs/dbraw/zinc/48/07/44/721480744.db2.gz CEQLUEMEPSKNMJ-DYESRHJHSA-N 1 0 400.527 0.598 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)nn2)CC1 ZINC001164893293 721480773 /nfs/dbraw/zinc/48/07/73/721480773.db2.gz CEQLUEMEPSKNMJ-LAUBAEHRSA-N 1 0 400.527 0.598 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@]4(CC(=O)NCC4CC4)C3)nn2)CC1 ZINC001164893296 721480700 /nfs/dbraw/zinc/48/07/00/721480700.db2.gz CEQLUEMEPSKNMJ-UTKZUKDTSA-N 1 0 400.527 0.598 20 0 HCADRO C[NH+]1CCN(c2ccc(N3C[C@H]4COC[C@]4(CC(=O)NCC4CC4)C3)nn2)CC1 ZINC001164893298 721480667 /nfs/dbraw/zinc/48/06/67/721480667.db2.gz CEQLUEMEPSKNMJ-UWJYYQICSA-N 1 0 400.527 0.598 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncccc4S(N)(=O)=O)C3)O2)CC1 ZINC001164894122 721388440 /nfs/dbraw/zinc/38/84/40/721388440.db2.gz XTIQJSVHVJAKDM-APWZRJJASA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncccc4S(N)(=O)=O)C3)O2)CC1 ZINC001164894123 721388957 /nfs/dbraw/zinc/38/89/57/721388957.db2.gz XTIQJSVHVJAKDM-LPHOPBHVSA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncccc4S(N)(=O)=O)C3)O2)CC1 ZINC001164894124 721388780 /nfs/dbraw/zinc/38/87/80/721388780.db2.gz XTIQJSVHVJAKDM-QFBILLFUSA-N 1 0 409.556 0.494 20 0 HCADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncccc4S(N)(=O)=O)C3)O2)CC1 ZINC001164894125 721388529 /nfs/dbraw/zinc/38/85/29/721388529.db2.gz XTIQJSVHVJAKDM-VQIMIIECSA-N 1 0 409.556 0.494 20 0 HCADRO CCNC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164899981 721442238 /nfs/dbraw/zinc/44/22/38/721442238.db2.gz ZXPHAJFRUPHQRP-DYESRHJHSA-N 1 0 402.543 0.992 20 0 HCADRO CCNC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164899991 721442113 /nfs/dbraw/zinc/44/21/13/721442113.db2.gz ZXPHAJFRUPHQRP-LAUBAEHRSA-N 1 0 402.543 0.992 20 0 HCADRO CCNC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164899992 721442274 /nfs/dbraw/zinc/44/22/74/721442274.db2.gz ZXPHAJFRUPHQRP-UTKZUKDTSA-N 1 0 402.543 0.992 20 0 HCADRO CCNC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164899993 721441994 /nfs/dbraw/zinc/44/19/94/721441994.db2.gz ZXPHAJFRUPHQRP-UWJYYQICSA-N 1 0 402.543 0.992 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)nn2)CC1 ZINC001164902549 721579457 /nfs/dbraw/zinc/57/94/57/721579457.db2.gz GKOXEDBEHIBFGZ-NRFANRHFSA-N 1 0 410.526 0.894 20 0 HCADRO C[NH+]1CCN(c2ccc(N3CCO[C@@]4(CCCN(c5cnccn5)C4)C3)nn2)CC1 ZINC001164902551 721579308 /nfs/dbraw/zinc/57/93/08/721579308.db2.gz GKOXEDBEHIBFGZ-OAQYLSRUSA-N 1 0 410.526 0.894 20 0 HCADRO Cc1cnc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)nc1C1C[NH2+]C1 ZINC001164913546 721802007 /nfs/dbraw/zinc/80/20/07/721802007.db2.gz FFCPGXWLMORCJF-JOCHJYFZSA-N 1 0 410.522 0.975 20 0 HCADRO Cc1cnc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1C1C[NH2+]C1 ZINC001164913547 721801831 /nfs/dbraw/zinc/80/18/31/721801831.db2.gz FFCPGXWLMORCJF-QFIPXVFZSA-N 1 0 410.522 0.975 20 0 HCADRO c1cncc(CN2CCOC[C@]3(CN(c4ncnc5c4CC[NH2+]CC5)CCO3)C2)c1 ZINC001164913610 721768213 /nfs/dbraw/zinc/76/82/13/721768213.db2.gz YLJMHKWNODNUFL-JOCHJYFZSA-N 1 0 410.522 0.668 20 0 HCADRO c1cncc(CN2CCOC[C@@]3(CN(c4ncnc5c4CC[NH2+]CC5)CCO3)C2)c1 ZINC001164913611 721768593 /nfs/dbraw/zinc/76/85/93/721768593.db2.gz YLJMHKWNODNUFL-QFIPXVFZSA-N 1 0 410.522 0.668 20 0 HCADRO c1cncc(CN2CCOC[C@]3(CN(c4ccc(N5CC[NH2+]CC5)cn4)CCO3)C2)c1 ZINC001164916034 721790902 /nfs/dbraw/zinc/79/09/02/721790902.db2.gz OCFGDZYZWBOKTO-HSZRJFAPSA-N 1 0 424.549 0.994 20 0 HCADRO c1cncc(CN2CCOC[C@@]3(CN(c4ccc(N5CC[NH2+]CC5)cn4)CCO3)C2)c1 ZINC001164916035 721791091 /nfs/dbraw/zinc/79/10/91/721791091.db2.gz OCFGDZYZWBOKTO-QHCPKHFHSA-N 1 0 424.549 0.994 20 0 HCADRO Cc1nc(CN2CCOC[C@@]3(CN(c4cc5c(nn4)CC[NH2+]C5)CCO3)C2)cs1 ZINC001164920581 721830189 /nfs/dbraw/zinc/83/01/89/721830189.db2.gz FLHBAAOUPLTDKQ-FQEVSTJZSA-N 1 0 416.551 0.995 20 0 HCADRO Cc1nc(CN2CCOC[C@]3(CN(c4cc5c(nn4)CC[NH2+]C5)CCO3)C2)cs1 ZINC001164920582 721830138 /nfs/dbraw/zinc/83/01/38/721830138.db2.gz FLHBAAOUPLTDKQ-HXUWFJFHSA-N 1 0 416.551 0.995 20 0 HCADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164921951 721873312 /nfs/dbraw/zinc/87/33/12/721873312.db2.gz FIXQUBCBQXWFJF-MSOLQXFVSA-N 1 0 418.542 0.705 20 0 HCADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164921952 721873404 /nfs/dbraw/zinc/87/34/04/721873404.db2.gz FIXQUBCBQXWFJF-QZTJIDSGSA-N 1 0 418.542 0.705 20 0 HCADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164921953 721873199 /nfs/dbraw/zinc/87/31/99/721873199.db2.gz FIXQUBCBQXWFJF-ROUUACIJSA-N 1 0 418.542 0.705 20 0 HCADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164921954 721873211 /nfs/dbraw/zinc/87/32/11/721873211.db2.gz FIXQUBCBQXWFJF-ZWKOTPCHSA-N 1 0 418.542 0.705 20 0 HCADRO COCCN1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)CC[C@H]2C1=O ZINC001164922064 721843564 /nfs/dbraw/zinc/84/35/64/721843564.db2.gz QBWGKPHSAQYFLQ-MSOLQXFVSA-N 1 0 403.527 0.534 20 0 HCADRO COCCN1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)CC[C@H]2C1=O ZINC001164922066 721843371 /nfs/dbraw/zinc/84/33/71/721843371.db2.gz QBWGKPHSAQYFLQ-QZTJIDSGSA-N 1 0 403.527 0.534 20 0 HCADRO COCCN1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)CC[C@@H]2C1=O ZINC001164922068 721843428 /nfs/dbraw/zinc/84/34/28/721843428.db2.gz QBWGKPHSAQYFLQ-ROUUACIJSA-N 1 0 403.527 0.534 20 0 HCADRO COCCN1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)CC[C@@H]2C1=O ZINC001164922070 721843601 /nfs/dbraw/zinc/84/36/01/721843601.db2.gz QBWGKPHSAQYFLQ-ZWKOTPCHSA-N 1 0 403.527 0.534 20 0 HCADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncccc1S(=O)(=O)N1CCOCC1 ZINC001164925599 721872148 /nfs/dbraw/zinc/87/21/48/721872148.db2.gz OMPHWVMAISZUTD-DLBZAZTESA-N 1 0 409.556 0.317 20 0 HCADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncccc1S(=O)(=O)N1CCOCC1 ZINC001164925600 721872036 /nfs/dbraw/zinc/87/20/36/721872036.db2.gz OMPHWVMAISZUTD-IAGOWNOFSA-N 1 0 409.556 0.317 20 0 HCADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncccc1S(=O)(=O)N1CCOCC1 ZINC001164925601 721872311 /nfs/dbraw/zinc/87/23/11/721872311.db2.gz OMPHWVMAISZUTD-IRXDYDNUSA-N 1 0 409.556 0.317 20 0 HCADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncccc1S(=O)(=O)N1CCOCC1 ZINC001164925602 721872383 /nfs/dbraw/zinc/87/23/83/721872383.db2.gz OMPHWVMAISZUTD-SJORKVTESA-N 1 0 409.556 0.317 20 0 HCADRO Cc1nc(CN2CCOC[C@@]3(CN(c4ncc5c(n4)CC[NH2+]C5)CCO3)C2)cs1 ZINC001164926452 721824820 /nfs/dbraw/zinc/82/48/20/721824820.db2.gz XAUCXWFRUVNDPI-FQEVSTJZSA-N 1 0 416.551 0.995 20 0 HCADRO Cc1nc(CN2CCOC[C@]3(CN(c4ncc5c(n4)CC[NH2+]C5)CCO3)C2)cs1 ZINC001164926453 721824725 /nfs/dbraw/zinc/82/47/25/721824725.db2.gz XAUCXWFRUVNDPI-HXUWFJFHSA-N 1 0 416.551 0.995 20 0 HCADRO Cc1nc(CN2CCOC[C@@]3(CN(c4ncnc5c4CC[NH2+]C5)CCO3)C2)cs1 ZINC001164926869 721825035 /nfs/dbraw/zinc/82/50/35/721825035.db2.gz XQIOQRWBZQXXEN-FQEVSTJZSA-N 1 0 416.551 0.995 20 0 HCADRO Cc1nc(CN2CCOC[C@]3(CN(c4ncnc5c4CC[NH2+]C5)CCO3)C2)cs1 ZINC001164926870 721825019 /nfs/dbraw/zinc/82/50/19/721825019.db2.gz XQIOQRWBZQXXEN-HXUWFJFHSA-N 1 0 416.551 0.995 20 0 HCADRO Cn1cnc2c1nc(N1CC[C@@H]3[C@@H]1CCN3CC[NH+](C)C)nc2N1CCOCC1 ZINC001164927161 721856549 /nfs/dbraw/zinc/85/65/49/721856549.db2.gz JQTNAICPZKDKFF-CVEARBPZSA-N 1 0 400.531 0.415 20 0 HCADRO Cn1cnc2c1nc(N1CC[C@H]3[C@@H]1CCN3CC[NH+](C)C)nc2N1CCOCC1 ZINC001164927163 721856816 /nfs/dbraw/zinc/85/68/16/721856816.db2.gz JQTNAICPZKDKFF-HOTGVXAUSA-N 1 0 400.531 0.415 20 0 HCADRO Cn1cnc2c1nc(N1CC[C@@H]3[C@H]1CCN3CC[NH+](C)C)nc2N1CCOCC1 ZINC001164927164 721856850 /nfs/dbraw/zinc/85/68/50/721856850.db2.gz JQTNAICPZKDKFF-HZPDHXFCSA-N 1 0 400.531 0.415 20 0 HCADRO Cn1cnc2c1nc(N1CC[C@H]3[C@H]1CCN3CC[NH+](C)C)nc2N1CCOCC1 ZINC001164927166 721856457 /nfs/dbraw/zinc/85/64/57/721856457.db2.gz JQTNAICPZKDKFF-JKSUJKDBSA-N 1 0 400.531 0.415 20 0 HCADRO COc1nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)nc(N2CCn3ccnc3C2)n1 ZINC001164932270 721886522 /nfs/dbraw/zinc/88/65/22/721886522.db2.gz HWXOQIOWFRFLHZ-CVEARBPZSA-N 1 0 413.530 0.312 20 0 HCADRO COc1nc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)nc(N2CCn3ccnc3C2)n1 ZINC001164932271 721886609 /nfs/dbraw/zinc/88/66/09/721886609.db2.gz HWXOQIOWFRFLHZ-HOTGVXAUSA-N 1 0 413.530 0.312 20 0 HCADRO COc1nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)nc(N2CCn3ccnc3C2)n1 ZINC001164932272 721886691 /nfs/dbraw/zinc/88/66/91/721886691.db2.gz HWXOQIOWFRFLHZ-HZPDHXFCSA-N 1 0 413.530 0.312 20 0 HCADRO COc1nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)nc(N2CCn3ccnc3C2)n1 ZINC001164932273 721886592 /nfs/dbraw/zinc/88/65/92/721886592.db2.gz HWXOQIOWFRFLHZ-JKSUJKDBSA-N 1 0 413.530 0.312 20 0 HCADRO Cn1ccc(CN2CCOCC23CCN(c2ccc(N4CC[NH2+]CC4)nn2)CC3)n1 ZINC001164934108 721903274 /nfs/dbraw/zinc/90/32/74/721903274.db2.gz VTSUTTJZAADKSJ-UHFFFAOYSA-N 1 0 412.542 0.491 20 0 HCADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001164934393 721878664 /nfs/dbraw/zinc/87/86/64/721878664.db2.gz REYRKHXMYOXEIK-MSOLQXFVSA-N 1 0 409.556 0.317 20 0 HCADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001164934394 721878625 /nfs/dbraw/zinc/87/86/25/721878625.db2.gz REYRKHXMYOXEIK-QZTJIDSGSA-N 1 0 409.556 0.317 20 0 HCADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001164934395 721878524 /nfs/dbraw/zinc/87/85/24/721878524.db2.gz REYRKHXMYOXEIK-ROUUACIJSA-N 1 0 409.556 0.317 20 0 HCADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001164934396 721878411 /nfs/dbraw/zinc/87/84/11/721878411.db2.gz REYRKHXMYOXEIK-ZWKOTPCHSA-N 1 0 409.556 0.317 20 0 HCADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001164934793 721883963 /nfs/dbraw/zinc/88/39/63/721883963.db2.gz UHNROYCEUKHUEV-MSOLQXFVSA-N 1 0 421.567 0.167 20 0 HCADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001164934794 721884015 /nfs/dbraw/zinc/88/40/15/721884015.db2.gz UHNROYCEUKHUEV-QZTJIDSGSA-N 1 0 421.567 0.167 20 0 HCADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001164934795 721883810 /nfs/dbraw/zinc/88/38/10/721883810.db2.gz UHNROYCEUKHUEV-ROUUACIJSA-N 1 0 421.567 0.167 20 0 HCADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001164934796 721883641 /nfs/dbraw/zinc/88/36/41/721883641.db2.gz UHNROYCEUKHUEV-ZWKOTPCHSA-N 1 0 421.567 0.167 20 0 HCADRO Cn1ccc(CN2CCOCC23CCN(c2cncc(N4CC[NH2+]CC4)n2)CC3)n1 ZINC001164935844 721905819 /nfs/dbraw/zinc/90/58/19/721905819.db2.gz JPDBHWRSDPKCRV-UHFFFAOYSA-N 1 0 412.542 0.491 20 0 HCADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164944453 721970459 /nfs/dbraw/zinc/97/04/59/721970459.db2.gz IVOLXKUSEVWYBT-UHFFFAOYSA-N 1 0 421.549 0.857 20 0 HCADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164945056 721975103 /nfs/dbraw/zinc/97/51/03/721975103.db2.gz BGNXRHUOSXDBKM-UHFFFAOYSA-N 1 0 421.549 0.857 20 0 HCADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]21 ZINC001164946133 721936584 /nfs/dbraw/zinc/93/65/84/721936584.db2.gz YLRZRYNOHYMASN-MOPGFXCFSA-N 1 0 413.526 0.923 20 0 HCADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]21 ZINC001164946134 721936523 /nfs/dbraw/zinc/93/65/23/721936523.db2.gz YLRZRYNOHYMASN-OALUTQOASA-N 1 0 413.526 0.923 20 0 HCADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]21 ZINC001164946135 721936680 /nfs/dbraw/zinc/93/66/80/721936680.db2.gz YLRZRYNOHYMASN-RBUKOAKNSA-N 1 0 413.526 0.923 20 0 HCADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]21 ZINC001164946136 721936722 /nfs/dbraw/zinc/93/67/22/721936722.db2.gz YLRZRYNOHYMASN-RTBURBONSA-N 1 0 413.526 0.923 20 0 HCADRO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]2C1 ZINC001164946294 721988909 /nfs/dbraw/zinc/98/89/09/721988909.db2.gz ARAHLPWBVZKIAL-DLBZAZTESA-N 1 0 408.572 0.398 20 0 HCADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]2C1 ZINC001164946295 721989061 /nfs/dbraw/zinc/98/90/61/721989061.db2.gz ARAHLPWBVZKIAL-IAGOWNOFSA-N 1 0 408.572 0.398 20 0 HCADRO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]2C1 ZINC001164946296 721988994 /nfs/dbraw/zinc/98/89/94/721988994.db2.gz ARAHLPWBVZKIAL-IRXDYDNUSA-N 1 0 408.572 0.398 20 0 HCADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]2C1 ZINC001164946297 721988819 /nfs/dbraw/zinc/98/88/19/721988819.db2.gz ARAHLPWBVZKIAL-SJORKVTESA-N 1 0 408.572 0.398 20 0 HCADRO CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164954828 722007564 /nfs/dbraw/zinc/00/75/64/722007564.db2.gz OYJFGMFADKPOBA-JXFKEZNVSA-N 1 0 403.531 0.628 20 0 HCADRO CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164954829 722007721 /nfs/dbraw/zinc/00/77/21/722007721.db2.gz OYJFGMFADKPOBA-OXJNMPFZSA-N 1 0 403.531 0.628 20 0 HCADRO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164954830 722007951 /nfs/dbraw/zinc/00/79/51/722007951.db2.gz OYJFGMFADKPOBA-OXQOHEQNSA-N 1 0 403.531 0.628 20 0 HCADRO CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164954831 722008105 /nfs/dbraw/zinc/00/81/05/722008105.db2.gz OYJFGMFADKPOBA-UZLBHIALSA-N 1 0 403.531 0.628 20 0 HCADRO Cn1cccc1C(=O)N[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]2COC[C@@H]12 ZINC001164959704 722035989 /nfs/dbraw/zinc/03/59/89/722035989.db2.gz RFKTVKOLWDWWDZ-BQFCYCMXSA-N 1 0 411.510 0.201 20 0 HCADRO Cn1cccc1C(=O)N[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]2COC[C@H]12 ZINC001164959712 722035910 /nfs/dbraw/zinc/03/59/10/722035910.db2.gz RFKTVKOLWDWWDZ-RYRKJORJSA-N 1 0 411.510 0.201 20 0 HCADRO Cn1cccc1C(=O)N[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]2COC[C@H]12 ZINC001164959715 722035886 /nfs/dbraw/zinc/03/58/86/722035886.db2.gz RFKTVKOLWDWWDZ-SOLBZPMBSA-N 1 0 411.510 0.201 20 0 HCADRO Cn1cccc1C(=O)N[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]2COC[C@@H]12 ZINC001164959718 722035921 /nfs/dbraw/zinc/03/59/21/722035921.db2.gz RFKTVKOLWDWWDZ-XYJFISCASA-N 1 0 411.510 0.201 20 0 HCADRO NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164960742 722061366 /nfs/dbraw/zinc/06/13/66/722061366.db2.gz KICHUCWLUSIETC-UHFFFAOYSA-N 1 0 418.523 0.638 20 0 HCADRO Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2COC[C@H]12 ZINC001164962864 722037104 /nfs/dbraw/zinc/03/71/04/722037104.db2.gz OPNTWMPLXUSZEO-AOIWGVFYSA-N 1 0 410.522 0.806 20 0 HCADRO Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2COC[C@@H]12 ZINC001164962867 722037130 /nfs/dbraw/zinc/03/71/30/722037130.db2.gz OPNTWMPLXUSZEO-JENIJYKNSA-N 1 0 410.522 0.806 20 0 HCADRO Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2COC[C@@H]12 ZINC001164962871 722037169 /nfs/dbraw/zinc/03/71/69/722037169.db2.gz OPNTWMPLXUSZEO-LNLFQRSKSA-N 1 0 410.522 0.806 20 0 HCADRO Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2COC[C@H]12 ZINC001164962876 722037216 /nfs/dbraw/zinc/03/72/16/722037216.db2.gz OPNTWMPLXUSZEO-ZIFCJYIRSA-N 1 0 410.522 0.806 20 0 HCADRO O=S(=O)(c1ccc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1)N1CCOCC1 ZINC001164966980 722075166 /nfs/dbraw/zinc/07/51/66/722075166.db2.gz IGRLCNVNJPUMBI-CALCHBBNSA-N 1 0 408.524 0.402 20 0 HCADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967141 722074181 /nfs/dbraw/zinc/07/41/81/722074181.db2.gz KWRAOANSLCIRPD-CALCHBBNSA-N 1 0 417.510 0.789 20 0 HCADRO O=S(=O)(c1cccnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2)N1CCOCC1 ZINC001164967836 722074049 /nfs/dbraw/zinc/07/40/49/722074049.db2.gz YXPVBYVMNYVXML-CALCHBBNSA-N 1 0 408.524 0.402 20 0 HCADRO O=C(c1ccc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1)N1CCS(=O)(=O)CC1 ZINC001164967964 722076435 /nfs/dbraw/zinc/07/64/35/722076435.db2.gz NLOUFBCJSCNPNC-HDICACEKSA-N 1 0 420.535 0.252 20 0 HCADRO COc1nc(N2CCn3ccnc3C2)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164968161 722076782 /nfs/dbraw/zinc/07/67/82/722076782.db2.gz UKEWVHNSUCOCLH-IYBDPMFKSA-N 1 0 412.498 0.396 20 0 HCADRO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]21 ZINC001164969353 722079928 /nfs/dbraw/zinc/07/99/28/722079928.db2.gz JKGRVIJACSRXTR-AABGKKOBSA-N 1 0 424.553 0.941 20 0 HCADRO CC(=O)N1[C@@H]2CCN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164969354 722079920 /nfs/dbraw/zinc/07/99/20/722079920.db2.gz JKGRVIJACSRXTR-HSALFYBXSA-N 1 0 424.553 0.941 20 0 HCADRO CC(=O)N1[C@@H]2CCN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164969355 722079894 /nfs/dbraw/zinc/07/98/94/722079894.db2.gz JKGRVIJACSRXTR-SLFFLAALSA-N 1 0 424.553 0.941 20 0 HCADRO CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]21 ZINC001164969356 722079869 /nfs/dbraw/zinc/07/98/69/722079869.db2.gz JKGRVIJACSRXTR-UFYCRDLUSA-N 1 0 424.553 0.941 20 0 HCADRO CN(C)C(=O)CN1C[C@@H]2CCN(c3cc(C[NH+](C)C)ccn3)CC[C@H]2S1(=O)=O ZINC001164971549 722087695 /nfs/dbraw/zinc/08/76/95/722087695.db2.gz JTBMXFNYXSPKCM-DLBZAZTESA-N 1 0 409.556 0.462 20 0 HCADRO CN(C)C(=O)CN1C[C@H]2CCN(c3cc(C[NH+](C)C)ccn3)CC[C@H]2S1(=O)=O ZINC001164971550 722087703 /nfs/dbraw/zinc/08/77/03/722087703.db2.gz JTBMXFNYXSPKCM-IAGOWNOFSA-N 1 0 409.556 0.462 20 0 HCADRO CN(C)C(=O)CN1C[C@@H]2CCN(c3cc(C[NH+](C)C)ccn3)CC[C@@H]2S1(=O)=O ZINC001164971551 722087651 /nfs/dbraw/zinc/08/76/51/722087651.db2.gz JTBMXFNYXSPKCM-IRXDYDNUSA-N 1 0 409.556 0.462 20 0 HCADRO CN(C)C(=O)CN1C[C@H]2CCN(c3cc(C[NH+](C)C)ccn3)CC[C@@H]2S1(=O)=O ZINC001164971552 722087632 /nfs/dbraw/zinc/08/76/32/722087632.db2.gz JTBMXFNYXSPKCM-SJORKVTESA-N 1 0 409.556 0.462 20 0 HCADRO CN1CC(=O)Nc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164972419 722126112 /nfs/dbraw/zinc/12/61/12/722126112.db2.gz FECSFLCGYGDURM-AEFFLSMTSA-N 1 0 409.494 0.987 20 0 HCADRO CN1CC(=O)Nc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164972420 722126592 /nfs/dbraw/zinc/12/65/92/722126592.db2.gz FECSFLCGYGDURM-FUHWJXTLSA-N 1 0 409.494 0.987 20 0 HCADRO CN1CC(=O)Nc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164972421 722126092 /nfs/dbraw/zinc/12/60/92/722126092.db2.gz FECSFLCGYGDURM-SJLPKXTDSA-N 1 0 409.494 0.987 20 0 HCADRO CN1CC(=O)Nc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164972422 722126269 /nfs/dbraw/zinc/12/62/69/722126269.db2.gz FECSFLCGYGDURM-WMZOPIPTSA-N 1 0 409.494 0.987 20 0 HCADRO Cn1nc(C(=O)N2CCOCC2)c2c1CN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164975308 722159968 /nfs/dbraw/zinc/15/99/68/722159968.db2.gz SCENVDWRJZJSGZ-UHFFFAOYSA-N 1 0 411.510 0.560 20 0 HCADRO NS(=O)(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)c1 ZINC001164976186 722157509 /nfs/dbraw/zinc/15/75/09/722157509.db2.gz UUKAKEYIOLFJQH-CRAIPNDOSA-N 1 0 421.498 0.990 20 0 HCADRO NS(=O)(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)c1 ZINC001164976188 722157249 /nfs/dbraw/zinc/15/72/49/722157249.db2.gz UUKAKEYIOLFJQH-MAUKXSAKSA-N 1 0 421.498 0.990 20 0 HCADRO NS(=O)(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1 ZINC001164976190 722156935 /nfs/dbraw/zinc/15/69/35/722156935.db2.gz UUKAKEYIOLFJQH-QAPCUYQASA-N 1 0 421.498 0.990 20 0 HCADRO NS(=O)(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1 ZINC001164976192 722157353 /nfs/dbraw/zinc/15/73/53/722157353.db2.gz UUKAKEYIOLFJQH-YJBOKZPZSA-N 1 0 421.498 0.990 20 0 HCADRO NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164980333 722150458 /nfs/dbraw/zinc/15/04/58/722150458.db2.gz MZAYJGGJAKGWMH-CVEARBPZSA-N 1 0 404.496 0.246 20 0 HCADRO NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164980335 722150116 /nfs/dbraw/zinc/15/01/16/722150116.db2.gz MZAYJGGJAKGWMH-HOTGVXAUSA-N 1 0 404.496 0.246 20 0 HCADRO NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164980336 722150270 /nfs/dbraw/zinc/15/02/70/722150270.db2.gz MZAYJGGJAKGWMH-HZPDHXFCSA-N 1 0 404.496 0.246 20 0 HCADRO NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164980338 722150106 /nfs/dbraw/zinc/15/01/06/722150106.db2.gz MZAYJGGJAKGWMH-JKSUJKDBSA-N 1 0 404.496 0.246 20 0 HCADRO NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980483 722111370 /nfs/dbraw/zinc/11/13/70/722111370.db2.gz RIMHRPOWQVBLON-AEFFLSMTSA-N 1 0 403.508 0.851 20 0 HCADRO NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980486 722111787 /nfs/dbraw/zinc/11/17/87/722111787.db2.gz RIMHRPOWQVBLON-FUHWJXTLSA-N 1 0 403.508 0.851 20 0 HCADRO NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980489 722111381 /nfs/dbraw/zinc/11/13/81/722111381.db2.gz RIMHRPOWQVBLON-SJLPKXTDSA-N 1 0 403.508 0.851 20 0 HCADRO NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980490 722111419 /nfs/dbraw/zinc/11/14/19/722111419.db2.gz RIMHRPOWQVBLON-WMZOPIPTSA-N 1 0 403.508 0.851 20 0 HCADRO NS(=O)(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982364 722103947 /nfs/dbraw/zinc/10/39/47/722103947.db2.gz OAVMJHPLZHCZJA-DLBZAZTESA-N 1 0 403.508 0.851 20 0 HCADRO NS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982690 722103816 /nfs/dbraw/zinc/10/38/16/722103816.db2.gz OAVMJHPLZHCZJA-IAGOWNOFSA-N 1 0 403.508 0.851 20 0 HCADRO NS(=O)(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982694 722103737 /nfs/dbraw/zinc/10/37/37/722103737.db2.gz OAVMJHPLZHCZJA-IRXDYDNUSA-N 1 0 403.508 0.851 20 0 HCADRO NS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982697 722103867 /nfs/dbraw/zinc/10/38/67/722103867.db2.gz OAVMJHPLZHCZJA-SJORKVTESA-N 1 0 403.508 0.851 20 0 HCADRO CC(C)C(=O)NCc1nnc2n1CCCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164988363 722189998 /nfs/dbraw/zinc/18/99/98/722189998.db2.gz GTGUTVXBYICWSC-UHFFFAOYSA-N 1 0 413.530 0.502 20 0 HCADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164990634 722188825 /nfs/dbraw/zinc/18/88/25/722188825.db2.gz MFLRIBFGGVQSCN-UHFFFAOYSA-N 1 0 424.549 0.689 20 0 HCADRO CN1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2CC[NH2+]C4)CC3)CC1 ZINC001164996443 722230528 /nfs/dbraw/zinc/23/05/28/722230528.db2.gz HKVRLJWBJYFBJI-UHFFFAOYSA-N 1 0 414.945 0.923 20 0 HCADRO CN1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2C[NH2+]CC4)CC3)CC1 ZINC001164996582 722229002 /nfs/dbraw/zinc/22/90/02/722229002.db2.gz JYUWUEGXUMQIJJ-UHFFFAOYSA-N 1 0 414.945 0.923 20 0 HCADRO CN1CCN(c2ncnc3c2CCN(c2cncc(N4CC[NH2+]CC4)n2)CC3)CC1 ZINC001164996715 722234390 /nfs/dbraw/zinc/23/43/90/722234390.db2.gz IGOCTDUNWPMCQV-UHFFFAOYSA-N 1 0 409.542 0.033 20 0 HCADRO CN1CCN(c2ncnc3c2CCN(c2nccc(N4CCC([NH3+])CC4)n2)CC3)CC1 ZINC001164996808 722235305 /nfs/dbraw/zinc/23/53/05/722235305.db2.gz JUCPETWCOKGSPH-UHFFFAOYSA-N 1 0 423.569 0.551 20 0 HCADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCc2[nH+]cnc(N3CCN(C)CC3)c2CC1 ZINC001164997080 722230669 /nfs/dbraw/zinc/23/06/69/722230669.db2.gz OIQZBYSPAUNXKW-UHFFFAOYSA-N 1 0 422.493 0.843 20 0 HCADRO CN1CCN(c2ncnc3c2CCN(c2ccc(N4CC[NH2+]CC4)cn2)CC3)CC1 ZINC001164997593 722236207 /nfs/dbraw/zinc/23/62/07/722236207.db2.gz RKRKBMLSNCHHID-UHFFFAOYSA-N 1 0 408.554 0.638 20 0 HCADRO CN1CCN(c2ncnc3c2CCN(c2ccc(N4CC[NH2+]CC4)nn2)CC3)CC1 ZINC001164998093 722230815 /nfs/dbraw/zinc/23/08/15/722230815.db2.gz XFBROJTYYCWGKA-UHFFFAOYSA-N 1 0 409.542 0.033 20 0 HCADRO COCCO[C@H]1CCN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]1Cc1cnn(C)c1 ZINC001165000673 722222547 /nfs/dbraw/zinc/22/25/47/722222547.db2.gz XVBVJODJSHTYGU-MOPGFXCFSA-N 1 0 415.542 0.815 20 0 HCADRO COCCO[C@H]1CCN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]1Cc1cnn(C)c1 ZINC001165000675 722222670 /nfs/dbraw/zinc/22/26/70/722222670.db2.gz XVBVJODJSHTYGU-OALUTQOASA-N 1 0 415.542 0.815 20 0 HCADRO COCCO[C@@H]1CCN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]1Cc1cnn(C)c1 ZINC001165000676 722222767 /nfs/dbraw/zinc/22/27/67/722222767.db2.gz XVBVJODJSHTYGU-RBUKOAKNSA-N 1 0 415.542 0.815 20 0 HCADRO COCCO[C@@H]1CCN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]1Cc1cnn(C)c1 ZINC001165000678 722222656 /nfs/dbraw/zinc/22/26/56/722222656.db2.gz XVBVJODJSHTYGU-RTBURBONSA-N 1 0 415.542 0.815 20 0 HCADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCOCC3)ncn1)CCC2 ZINC001165001029 722251072 /nfs/dbraw/zinc/25/10/72/722251072.db2.gz YVOJRVIOFAYMMU-UHFFFAOYSA-N 1 0 401.515 0.998 20 0 HCADRO CN1CCN(c2ncnc3c2CCN(c2ccc(OC4CC[NH2+]CC4)nn2)CC3)CC1 ZINC001165001074 722237765 /nfs/dbraw/zinc/23/77/65/722237765.db2.gz BDVHDWBZWJGBSV-UHFFFAOYSA-N 1 0 424.553 0.754 20 0 HCADRO COc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(S(C)(=O)=O)n1 ZINC001165001623 722253902 /nfs/dbraw/zinc/25/39/02/722253902.db2.gz DCNDLMBSCDUOKF-UHFFFAOYSA-N 1 0 424.527 0.574 20 0 HCADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccnc(N3CCOCC3)n1)CCC2 ZINC001165001657 722254797 /nfs/dbraw/zinc/25/47/97/722254797.db2.gz FLJITCBFPVRBTP-UHFFFAOYSA-N 1 0 401.515 0.998 20 0 HCADRO C[C@H]1C(=O)Nc2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2N1C ZINC001165002620 722253757 /nfs/dbraw/zinc/25/37/57/722253757.db2.gz RPHLTHUOPKQLND-AWEZNQCLSA-N 1 0 414.514 0.938 20 0 HCADRO C[C@@H]1C(=O)Nc2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2N1C ZINC001165002623 722253883 /nfs/dbraw/zinc/25/38/83/722253883.db2.gz RPHLTHUOPKQLND-CQSZACIVSA-N 1 0 414.514 0.938 20 0 HCADRO CN1CCN(c2nccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)CC1 ZINC001165003490 722257484 /nfs/dbraw/zinc/25/74/84/722257484.db2.gz FCWHAJBERVNBBJ-UHFFFAOYSA-N 1 0 414.558 0.913 20 0 HCADRO CNS(=O)(=O)c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1 ZINC001165003990 722256221 /nfs/dbraw/zinc/25/62/21/722256221.db2.gz KPHDUJVFZWRFPC-UHFFFAOYSA-N 1 0 408.528 0.675 20 0 HCADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(S(N)(=O)=O)cc1F)CCC2 ZINC001165004042 722258132 /nfs/dbraw/zinc/25/81/32/722258132.db2.gz MBPKFVRROJAJBX-UHFFFAOYSA-N 1 0 412.491 0.553 20 0 HCADRO COC(=O)c1ncnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1OC ZINC001165004681 722258129 /nfs/dbraw/zinc/25/81/29/722258129.db2.gz URQKUGNYWSYHKT-UHFFFAOYSA-N 1 0 404.471 0.957 20 0 HCADRO CC(C)N(C)Cc1nnc2n1CCCN(c1ncccc1C(=O)N1CC[NH2+]CC1)C2 ZINC001165008653 721708961 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20 0 HCADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(S(=O)(=O)N(C)C)cn2)CC1 ZINC001165011033 721744382 /nfs/dbraw/zinc/74/43/82/721744382.db2.gz SNBPRQPLANARBT-UHFFFAOYSA-N 1 0 409.556 0.855 20 0 HCADRO CN(C)C(=O)COCc1nnc2n1CCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001165011277 721723664 /nfs/dbraw/zinc/72/36/64/721723664.db2.gz OHXABSVOXCCEBU-UHFFFAOYSA-N 1 0 414.514 0.050 20 0 HCADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc(N3CCOCC3)n2)CC1 ZINC001165011966 721732773 /nfs/dbraw/zinc/73/27/73/721732773.db2.gz ZOZZMMHEOCSYAI-UHFFFAOYSA-N 1 0 423.949 0.885 20 0 HCADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)ccc2S(N)(=O)=O)CC1 ZINC001165012455 721747779 /nfs/dbraw/zinc/74/77/79/721747779.db2.gz ICULWDHXFJONOL-UHFFFAOYSA-N 1 0 415.947 0.905 20 0 HCADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(N3CCC[C@H]3C(N)=O)ncn2)CC1 ZINC001165012912 721747461 /nfs/dbraw/zinc/74/74/61/721747461.db2.gz REMMYYABHOZYNK-INIZCTEOSA-N 1 0 415.542 0.454 20 0 HCADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(N3CCC[C@@H]3C(N)=O)ncn2)CC1 ZINC001165012914 721747902 /nfs/dbraw/zinc/74/79/02/721747902.db2.gz REMMYYABHOZYNK-MRXNPFEDSA-N 1 0 415.542 0.454 20 0 HCADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001165019882 721787224 /nfs/dbraw/zinc/78/72/24/721787224.db2.gz KKLQBEWLCCZHKG-JOCHJYFZSA-N 1 0 417.554 0.924 20 0 HCADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001165019885 721787356 /nfs/dbraw/zinc/78/73/56/721787356.db2.gz KKLQBEWLCCZHKG-QFIPXVFZSA-N 1 0 417.554 0.924 20 0 HCADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001165022394 721786160 /nfs/dbraw/zinc/78/61/60/721786160.db2.gz RFYAEYOQONEUTI-NRFANRHFSA-N 1 0 418.542 0.319 20 0 HCADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001165022400 721786419 /nfs/dbraw/zinc/78/64/19/721786419.db2.gz RFYAEYOQONEUTI-OAQYLSRUSA-N 1 0 418.542 0.319 20 0 HCADRO C1CCC([NH+]2CCN(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)CC2)C1 ZINC001165028642 721853552 /nfs/dbraw/zinc/85/35/52/721853552.db2.gz CQXGARWNGPUUKM-UHFFFAOYSA-N 1 0 403.531 0.609 20 0 HCADRO COc1cc(OC)nc(CN2CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)n1 ZINC001165028800 721848433 /nfs/dbraw/zinc/84/84/33/721848433.db2.gz DBVMXAXXHQOFJH-UHFFFAOYSA-N 1 0 400.487 0.016 20 0 HCADRO COc1cc(OC)nc(CN2CCN(c3ccc(OC4CC[NH2+]CC4)nn3)CC2)n1 ZINC001165029314 721850389 /nfs/dbraw/zinc/85/03/89/721850389.db2.gz JGDKCGMNDPMDRB-UHFFFAOYSA-N 1 0 415.498 0.737 20 0 HCADRO COc1cc(OC)nc(CN2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)n1 ZINC001165029828 721846414 /nfs/dbraw/zinc/84/64/14/721846414.db2.gz FLMUOCPCASMADC-UHFFFAOYSA-N 1 0 400.487 0.016 20 0 HCADRO COc1cc(OC)nc(CN2CCN(c3nccc(N4CCC([NH3+])CC4)n3)CC2)n1 ZINC001165030075 721849074 /nfs/dbraw/zinc/84/90/74/721849074.db2.gz OZLULTMKNYGJNJ-UHFFFAOYSA-N 1 0 414.514 0.534 20 0 HCADRO COc1cc(OC)nc(CN2CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)n1 ZINC001165030759 721848922 /nfs/dbraw/zinc/84/89/22/721848922.db2.gz VZRDRPPULSSQSO-UHFFFAOYSA-N 1 0 413.526 0.963 20 0 HCADRO COc1cc(OC)nc(CN2CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)n1 ZINC001165030909 721845956 /nfs/dbraw/zinc/84/59/56/721845956.db2.gz LWPVVBMLLMPHCK-UHFFFAOYSA-N 1 0 414.514 0.358 20 0 HCADRO COc1cc(OC)nc(CN2CCN(c3nc(Cl)nc4c3CC[NH2+]C4)CC2)n1 ZINC001165030927 721846207 /nfs/dbraw/zinc/84/62/07/721846207.db2.gz MIEIEDWGXHFYGK-UHFFFAOYSA-N 1 0 405.890 0.905 20 0 HCADRO COc1cc(OC)nc(CN2CCN(c3nc(Cl)nc4c3C[NH2+]CC4)CC2)n1 ZINC001165031067 721845672 /nfs/dbraw/zinc/84/56/72/721845672.db2.gz PWSHFLNWESJRQS-UHFFFAOYSA-N 1 0 405.890 0.905 20 0 HCADRO c1c(N2CCOCC2)nc(N2CCOCC2)nc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165037020 721903517 /nfs/dbraw/zinc/90/35/17/721903517.db2.gz FYTPZPVRWZHHSS-GOSISDBHSA-N 1 0 418.542 0.451 20 0 HCADRO c1c(N2CCOCC2)nc(N2CCOCC2)nc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165037021 721903799 /nfs/dbraw/zinc/90/37/99/721903799.db2.gz FYTPZPVRWZHHSS-SFHVURJKSA-N 1 0 418.542 0.451 20 0 HCADRO CC[NH+](CC)C1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1 ZINC001165053019 722000627 /nfs/dbraw/zinc/00/06/27/722000627.db2.gz ZIEKZCFALTVIGX-UHFFFAOYSA-N 1 0 405.547 0.855 20 0 HCADRO Cn1cnc2c1nc(N1CC[NH+](CCc3ccccn3)CC1)nc2N1CCOCC1 ZINC001165054266 722010859 /nfs/dbraw/zinc/01/08/59/722010859.db2.gz VHWRVSIQQQGCSR-UHFFFAOYSA-N 1 0 408.510 0.960 20 0 HCADRO CS(=O)(=O)c1nc2c(c(N3CCN(CCc4ccccn4)CC3)n1)CC[NH2+]CC2 ZINC001165054723 722008597 /nfs/dbraw/zinc/00/85/97/722008597.db2.gz ZLQNPIFFZFJGHA-UHFFFAOYSA-N 1 0 416.551 0.328 20 0 HCADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@H]1CCc2cc(F)ccc2C1 ZINC001168414360 1073512822 /nfs/dbraw/zinc/51/28/22/1073512822.db2.gz FLSCTKCAAZFPHP-CAOSSQGBSA-N 1 0 414.441 0.651 20 0 HCADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168414362 1073512527 /nfs/dbraw/zinc/51/25/27/1073512527.db2.gz FLSCTKCAAZFPHP-QKPAOTATSA-N 1 0 414.441 0.651 20 0 HCADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)[C@H]1O ZINC001168419368 1073857415 /nfs/dbraw/zinc/85/74/15/1073857415.db2.gz BDZGAGWMKGLXIP-CFGWQNJFSA-N 1 0 414.441 0.314 20 0 HCADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)[C@H]1O ZINC001168419370 1073857801 /nfs/dbraw/zinc/85/78/01/1073857801.db2.gz BDZGAGWMKGLXIP-MGCCTARWSA-N 1 0 414.441 0.314 20 0 HCADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168420919 1074039065 /nfs/dbraw/zinc/03/90/65/1074039065.db2.gz NROPFIISRBTDEJ-HOJAQTOUSA-N 1 0 415.465 0.552 20 0 HCADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168420921 1074039075 /nfs/dbraw/zinc/03/90/75/1074039075.db2.gz NROPFIISRBTDEJ-IHPCNDPISA-N 1 0 415.465 0.552 20 0 HCADRO O=S(=O)(NCc1cn[nH]n1)c1cc(NCC2(N3CCCC3)COC2)ccc1F ZINC001168449864 1077330530 /nfs/dbraw/zinc/33/05/30/1077330530.db2.gz ABJYQGIGEZRMBF-UHFFFAOYSA-N 1 0 410.475 0.699 20 0 HCADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CO)[C@H]1O ZINC001168458044 1077334548 /nfs/dbraw/zinc/33/45/48/1077334548.db2.gz BZERZGKXGUJXOO-CIHIYUMESA-N 1 0 402.430 0.388 20 0 HCADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CO)[C@H]1O ZINC001168458045 1077334474 /nfs/dbraw/zinc/33/44/74/1077334474.db2.gz BZERZGKXGUJXOO-YNCMYWQSSA-N 1 0 402.430 0.388 20 0 HCADRO C[C@H](Cc1cccc(F)c1)n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001168466266 1077563770 /nfs/dbraw/zinc/56/37/70/1077563770.db2.gz BWOIXRIGKJLVND-AQNFWKISSA-N 1 0 402.430 0.725 20 0 HCADRO C[C@@H](Cc1cccc(F)c1)n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001168466271 1077563826 /nfs/dbraw/zinc/56/38/26/1077563826.db2.gz BWOIXRIGKJLVND-BSLXNSKLSA-N 1 0 402.430 0.725 20 0 HCADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO ZINC001168472885 1077665499 /nfs/dbraw/zinc/66/54/99/1077665499.db2.gz HTEAQVLCGZLTSA-CIHIYUMESA-N 1 0 402.430 0.388 20 0 HCADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO ZINC001168472886 1077665590 /nfs/dbraw/zinc/66/55/90/1077665590.db2.gz HTEAQVLCGZLTSA-YNCMYWQSSA-N 1 0 402.430 0.388 20 0 HCADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001168473341 1077666672 /nfs/dbraw/zinc/66/66/72/1077666672.db2.gz CWFBAEJEJNTXTB-AGRHKRQWSA-N 1 0 403.454 0.626 20 0 HCADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001168473342 1077666592 /nfs/dbraw/zinc/66/65/92/1077666592.db2.gz CWFBAEJEJNTXTB-VMDGZTHMSA-N 1 0 403.454 0.626 20 0 HCADRO C[C@@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc2c(c1)CC(=O)N2C ZINC001168475941 1077710004 /nfs/dbraw/zinc/71/00/04/1077710004.db2.gz PXYOAONBPWFGSJ-CYBMUJFWSA-N 1 0 408.524 0.396 20 0 HCADRO C[C@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc2c(c1)CC(=O)N2C ZINC001168475943 1077710558 /nfs/dbraw/zinc/71/05/58/1077710558.db2.gz PXYOAONBPWFGSJ-ZDUSSCGKSA-N 1 0 408.524 0.396 20 0 HCADRO C[NH+](C)CCn1ccc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)n1 ZINC001168493833 1077888330 /nfs/dbraw/zinc/88/83/30/1077888330.db2.gz CTPQAWICUONMAR-UHFFFAOYSA-N 1 0 406.512 0.055 20 0 HCADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)cn1 ZINC001168511834 1078114073 /nfs/dbraw/zinc/11/40/73/1078114073.db2.gz CWUUILIFYVLUGB-UHFFFAOYSA-N 1 0 400.464 0.575 20 0 HCADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cn1 ZINC001168555197 1079590737 /nfs/dbraw/zinc/59/07/37/1079590737.db2.gz OFPJTXNSPMYRLA-HZMVEIRTSA-N 1 0 407.515 0.552 20 0 HCADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cn1 ZINC001168555198 1079590589 /nfs/dbraw/zinc/59/05/89/1079590589.db2.gz OFPJTXNSPMYRLA-NXOAAHMSSA-N 1 0 407.515 0.552 20 0 HCADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cn1 ZINC001168555200 1079590792 /nfs/dbraw/zinc/59/07/92/1079590792.db2.gz OFPJTXNSPMYRLA-TWMKSMIVSA-N 1 0 407.515 0.552 20 0 HCADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cn1 ZINC001168555201 1079590488 /nfs/dbraw/zinc/59/04/88/1079590488.db2.gz OFPJTXNSPMYRLA-VQHPVUNQSA-N 1 0 407.515 0.552 20 0 HCADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168609230 1080020291 /nfs/dbraw/zinc/02/02/91/1080020291.db2.gz NCDMMKNDYTZEDV-DOTOQJQBSA-N 1 0 407.467 0.300 20 0 HCADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168609232 1080020430 /nfs/dbraw/zinc/02/04/30/1080020430.db2.gz NCDMMKNDYTZEDV-NVXWUHKLSA-N 1 0 407.467 0.300 20 0 HCADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168609234 1080020263 /nfs/dbraw/zinc/02/02/63/1080020263.db2.gz NCDMMKNDYTZEDV-RDJZCZTQSA-N 1 0 407.467 0.300 20 0 HCADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168609235 1080020355 /nfs/dbraw/zinc/02/03/55/1080020355.db2.gz NCDMMKNDYTZEDV-WBVHZDCISA-N 1 0 407.467 0.300 20 0 HCADRO COc1ccc([C@@H]2C[C@H]([NH2+]CCNC(=O)Cn3cc(C)c(=O)[nH]c3=O)CCO2)cc1 ZINC001168610630 1080021450 /nfs/dbraw/zinc/02/14/50/1080021450.db2.gz TUKNRDOUORUQAA-AEFFLSMTSA-N 1 0 416.478 0.892 20 0 HCADRO COc1ccc([C@H]2C[C@@H]([NH2+]CCNC(=O)Cn3cc(C)c(=O)[nH]c3=O)CCO2)cc1 ZINC001168610638 1080021166 /nfs/dbraw/zinc/02/11/66/1080021166.db2.gz TUKNRDOUORUQAA-FUHWJXTLSA-N 1 0 416.478 0.892 20 0 HCADRO COc1ccc([C@H]2C[C@H]([NH2+]CCNC(=O)Cn3cc(C)c(=O)[nH]c3=O)CCO2)cc1 ZINC001168610642 1080021215 /nfs/dbraw/zinc/02/12/15/1080021215.db2.gz TUKNRDOUORUQAA-SJLPKXTDSA-N 1 0 416.478 0.892 20 0 HCADRO COc1ccc([C@@H]2C[C@@H]([NH2+]CCNC(=O)Cn3cc(C)c(=O)[nH]c3=O)CCO2)cc1 ZINC001168610646 1080021281 /nfs/dbraw/zinc/02/12/81/1080021281.db2.gz TUKNRDOUORUQAA-WMZOPIPTSA-N 1 0 416.478 0.892 20 0 HCADRO COc1ccc([C@H]2C[C@H]([NH2+]CC(=O)N3CCC[C@H]3C(=O)NCC(N)=O)CCO2)cc1 ZINC001168628144 1080119945 /nfs/dbraw/zinc/11/99/45/1080119945.db2.gz DJQLMHOOTLYLJM-BPQIPLTHSA-N 1 0 418.494 0.097 20 0 HCADRO COc1ccc([C@@H]2C[C@H]([NH2+]CC(=O)N3CCC[C@H]3C(=O)NCC(N)=O)CCO2)cc1 ZINC001168628145 1080119317 /nfs/dbraw/zinc/11/93/17/1080119317.db2.gz DJQLMHOOTLYLJM-NJAFHUGGSA-N 1 0 418.494 0.097 20 0 HCADRO COc1ccc([C@H]2C[C@@H]([NH2+]CC(=O)N3CCC[C@H]3C(=O)NCC(N)=O)CCO2)cc1 ZINC001168628146 1080119042 /nfs/dbraw/zinc/11/90/42/1080119042.db2.gz DJQLMHOOTLYLJM-RYQLBKOJSA-N 1 0 418.494 0.097 20 0 HCADRO COc1ccc([C@@H]2C[C@@H]([NH2+]CC(=O)N3CCC[C@H]3C(=O)NCC(N)=O)CCO2)cc1 ZINC001168628147 1080119590 /nfs/dbraw/zinc/11/95/90/1080119590.db2.gz DJQLMHOOTLYLJM-SZMVWBNQSA-N 1 0 418.494 0.097 20 0 HCADRO CCN1C(=O)CO[C@H](C(=O)N2CCC([NH+]3CCOCC3)CC2)[C@H]1c1nccn1C ZINC001168662830 1080383964 /nfs/dbraw/zinc/38/39/64/1080383964.db2.gz BCETVXLDZWVRRD-ROUUACIJSA-N 1 0 405.499 0.032 20 0 HCADRO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N1CCC([NH+]2CCOCC2)CC1 ZINC001168662835 1080383800 /nfs/dbraw/zinc/38/38/00/1080383800.db2.gz BNUXCTZJGNEZPN-UHFFFAOYSA-N 1 0 409.508 0.318 20 0 HCADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001168663095 1080384567 /nfs/dbraw/zinc/38/45/67/1080384567.db2.gz HEBRCHJVSDOOMO-UHFFFAOYSA-N 1 0 401.261 0.035 20 0 HCADRO CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001168663339 1080384634 /nfs/dbraw/zinc/38/46/34/1080384634.db2.gz JSOWUXRBNBJUQH-UHFFFAOYSA-N 1 0 420.535 0.904 20 0 HCADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001168663727 1080385365 /nfs/dbraw/zinc/38/53/65/1080385365.db2.gz QAOXBKHURVMKIC-UHFFFAOYSA-N 1 0 423.535 0.881 20 0 HCADRO Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001168664166 1080385262 /nfs/dbraw/zinc/38/52/62/1080385262.db2.gz YVVOXABOZDSLOR-UHFFFAOYSA-N 1 0 401.554 0.862 20 0 HCADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168694368 1080547873 /nfs/dbraw/zinc/54/78/73/1080547873.db2.gz XCYWIEHASQAIAL-CIHIYUMESA-N 1 0 416.869 0.438 20 0 HCADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168694369 1080548397 /nfs/dbraw/zinc/54/83/97/1080548397.db2.gz XCYWIEHASQAIAL-YNCMYWQSSA-N 1 0 416.869 0.438 20 0 HCADRO COC(=O)c1cc(-n2nc(-c3ccccc3)nc2CC[NH3+])nc(S(C)(=O)=O)n1 ZINC001168705703 1080907157 /nfs/dbraw/zinc/90/71/57/1080907157.db2.gz AMGUTJBHQIEIJK-UHFFFAOYSA-N 1 0 402.436 0.416 20 0 HCADRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccc(CN2CCNC2=N[N+](=O)[O-])cn1 ZINC001168705928 1080920659 /nfs/dbraw/zinc/92/06/59/1080920659.db2.gz CJUQALFTWOSBNW-UHFFFAOYSA-N 1 0 407.438 0.783 20 0 HCADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168706415 1080930863 /nfs/dbraw/zinc/93/08/63/1080930863.db2.gz IFMRLWPZMZTROH-AQNFWKISSA-N 1 0 416.869 0.776 20 0 HCADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168706427 1080930881 /nfs/dbraw/zinc/93/08/81/1080930881.db2.gz IFMRLWPZMZTROH-BSLXNSKLSA-N 1 0 416.869 0.776 20 0 HCADRO Cn1cnc(S(=O)(=O)NCC(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c1 ZINC001168706656 1080937019 /nfs/dbraw/zinc/93/70/19/1080937019.db2.gz DSPWZWCISZWROU-UHFFFAOYSA-N 1 0 417.535 0.704 20 0 HCADRO C[NH+]1CCC2(CC1)CN(C(=O)C1CCN(S(N)(=O)=O)CC1)Cc1ccccc12 ZINC001168706679 1080938680 /nfs/dbraw/zinc/93/86/80/1080938680.db2.gz FFLIGGFOGUXRBN-UHFFFAOYSA-N 1 0 406.552 0.908 20 0 HCADRO COC(=O)CNS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)nc2CC[NH3+])nc1 ZINC001168708279 1080992953 /nfs/dbraw/zinc/99/29/53/1080992953.db2.gz NHBRWDCJXRPUIZ-UHFFFAOYSA-N 1 0 416.463 0.282 20 0 HCADRO COC(=O)c1cnc(-n2nc(-c3ccccc3)nc2CC[NH3+])c(S(N)(=O)=O)c1 ZINC001168713640 1081061743 /nfs/dbraw/zinc/06/17/43/1081061743.db2.gz CNKTYNFVJYJCRG-UHFFFAOYSA-N 1 0 402.436 0.265 20 0 HCADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168714336 1081067248 /nfs/dbraw/zinc/06/72/48/1081067248.db2.gz BCYNXVULVZHHDQ-MNEFBYGVSA-N 1 0 401.894 0.971 20 0 HCADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168714337 1081067321 /nfs/dbraw/zinc/06/73/21/1081067321.db2.gz BCYNXVULVZHHDQ-SNRMKQJTSA-N 1 0 401.894 0.971 20 0 HCADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)[C@H]1O ZINC001168715976 1081087810 /nfs/dbraw/zinc/08/78/10/1081087810.db2.gz RSSVBTWWLGNZPJ-CIHIYUMESA-N 1 0 416.869 0.438 20 0 HCADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)[C@H]1O ZINC001168715977 1081087626 /nfs/dbraw/zinc/08/76/26/1081087626.db2.gz RSSVBTWWLGNZPJ-YNCMYWQSSA-N 1 0 416.869 0.438 20 0 HCADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168718373 1081135883 /nfs/dbraw/zinc/13/58/83/1081135883.db2.gz ORWCWMZSEOLJBU-CCKFTAQKSA-N 1 0 417.893 0.676 20 0 HCADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168718377 1081135936 /nfs/dbraw/zinc/13/59/36/1081135936.db2.gz ORWCWMZSEOLJBU-JVPBZIDWSA-N 1 0 417.893 0.676 20 0 HCADRO COC(=O)c1ccc2c(n1)nc(NC(=N)N1CC[NH+](C)CC1)nc2N1CCOCC1 ZINC001168735312 1081362518 /nfs/dbraw/zinc/36/25/18/1081362518.db2.gz NOBFDMZAXOGSFH-UHFFFAOYSA-N 1 0 414.470 0.242 20 0 HCADRO CC(C)(C)OC(=O)N1CC(CCO)(NS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001212202548 1077839518 /nfs/dbraw/zinc/83/95/18/1077839518.db2.gz RYNJMVHLMNLGEK-KRWDZBQOSA-N 1 0 403.545 0.764 20 0 HCADRO CN(CCS(=O)(=O)N(C)[C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(F)cc1 ZINC001212213872 1078031908 /nfs/dbraw/zinc/03/19/08/1078031908.db2.gz NNJMICHRUJFUCY-KRWDZBQOSA-N 1 0 419.544 0.802 20 0 HCADRO CN(CCS(=O)(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(F)cc1 ZINC001212213873 1078031943 /nfs/dbraw/zinc/03/19/43/1078031943.db2.gz NNJMICHRUJFUCY-QGZVFWFLSA-N 1 0 419.544 0.802 20 0 HCADRO C[NH+]1CCN(CCCS(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)CC1 ZINC001212266540 1078638641 /nfs/dbraw/zinc/63/86/41/1078638641.db2.gz AIMFONKQUQBACG-FQEVSTJZSA-N 1 0 420.579 0.659 20 0 HCADRO COc1ccc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1C(=O)N(C)C ZINC001212277399 1078712851 /nfs/dbraw/zinc/71/28/51/1078712851.db2.gz BFVJQZPTIWJRAM-CYBMUJFWSA-N 1 0 412.512 0.138 20 0 HCADRO COc1ccc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1C(=O)N(C)C ZINC001212277400 1078712977 /nfs/dbraw/zinc/71/29/77/1078712977.db2.gz BFVJQZPTIWJRAM-ZDUSSCGKSA-N 1 0 412.512 0.138 20 0 HCADRO CC(=O)N1CCc2ccc(S(=O)(=O)N3CN(CC[NH+](C)C)C(=O)[C@@H]3C)cc2CC1 ZINC001212278046 1078717033 /nfs/dbraw/zinc/71/70/33/1078717033.db2.gz IQQSIYJKXUNYKS-HNNXBMFYSA-N 1 0 422.551 0.374 20 0 HCADRO CC(=O)N1CCc2ccc(S(=O)(=O)N3CN(CC[NH+](C)C)C(=O)[C@H]3C)cc2CC1 ZINC001212278048 1078717003 /nfs/dbraw/zinc/71/70/03/1078717003.db2.gz IQQSIYJKXUNYKS-OAHLLOKOSA-N 1 0 422.551 0.374 20 0 HCADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2 ZINC001212278485 1078716531 /nfs/dbraw/zinc/71/65/31/1078716531.db2.gz OJNRNYLBYODNJJ-AWEZNQCLSA-N 1 0 420.535 0.726 20 0 HCADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2 ZINC001212278486 1078716601 /nfs/dbraw/zinc/71/66/01/1078716601.db2.gz OJNRNYLBYODNJJ-CQSZACIVSA-N 1 0 420.535 0.726 20 0 HCADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC001212278499 1078718699 /nfs/dbraw/zinc/71/86/99/1078718699.db2.gz PBRYBKPMOBTZSD-CYBMUJFWSA-N 1 0 403.526 0.221 20 0 HCADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC001212278500 1078718661 /nfs/dbraw/zinc/71/86/61/1078718661.db2.gz PBRYBKPMOBTZSD-ZDUSSCGKSA-N 1 0 403.526 0.221 20 0 HCADRO COc1ccc(S(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1C(=O)N(C)C ZINC001212283136 1078755150 /nfs/dbraw/zinc/75/51/50/1078755150.db2.gz AYFGIYAVBABVOF-UHFFFAOYSA-N 1 0 411.524 0.882 20 0 HCADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)CCCN1C(=O)c3ccccc3C1=O)CCO2 ZINC001212283195 1078755489 /nfs/dbraw/zinc/75/54/89/1078755489.db2.gz CTJBQDJIQBMFHO-UHFFFAOYSA-N 1 0 421.519 0.799 20 0 HCADRO COc1cc2c(cc1S(=O)(=O)N1CCOC3(CC[NH+](C)CC3)C1)C(=O)NCCC2 ZINC001212283771 1078757156 /nfs/dbraw/zinc/75/71/56/1078757156.db2.gz LVDNNXKKQSDIHS-UHFFFAOYSA-N 1 0 423.535 0.857 20 0 HCADRO CC(C)C[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC001212296023 1078812851 /nfs/dbraw/zinc/81/28/51/1078812851.db2.gz XWANQLVVCQVJEB-AWEZNQCLSA-N 1 0 423.495 0.418 20 0 HCADRO CC(C)C[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2cccc(S(C)(=O)=O)c2)no1 ZINC001212296047 1078812857 /nfs/dbraw/zinc/81/28/57/1078812857.db2.gz YXTKOEUMENLKIO-AWEZNQCLSA-N 1 0 423.495 0.418 20 0 HCADRO CC(C)C[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC001212298211 1078814693 /nfs/dbraw/zinc/81/46/93/1078814693.db2.gz AWDXHXDRNRVGCY-ZDUSSCGKSA-N 1 0 403.439 0.786 20 0 HCADRO CC(C)C[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2ccc(-n3cccn3)nc2)no1 ZINC001212298328 1078814598 /nfs/dbraw/zinc/81/45/98/1078814598.db2.gz FXXMCJGXXVJGHN-AWEZNQCLSA-N 1 0 412.454 0.596 20 0 HCADRO COc1cc(OC)c(-c2noc([C@H](CC(C)C)NC(=O)CNC(=O)C[NH3+])n2)cn1 ZINC001212298668 1078814611 /nfs/dbraw/zinc/81/46/11/1078814611.db2.gz OAYYPANSIWVIDE-LBPRGKRZSA-N 1 0 406.443 0.427 20 0 HCADRO COCOc1ccccc1-c1noc([C@H](CC(C)C)NC(=O)CNC(=O)C[NH3+])n1 ZINC001212298729 1078814617 /nfs/dbraw/zinc/81/46/17/1078814617.db2.gz QZDUSQKBHGVAIF-AWEZNQCLSA-N 1 0 405.455 0.998 20 0 HCADRO COc1cnc(-c2noc([C@H](CC(C)C)NC(=O)CNC(=O)C[NH3+])n2)c(OC)c1 ZINC001212298816 1078814653 /nfs/dbraw/zinc/81/46/53/1078814653.db2.gz VKBWIOVDGANVBC-LBPRGKRZSA-N 1 0 406.443 0.427 20 0 HCADRO CC(C)C[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2ccccc2S(C)(=O)=O)no1 ZINC001212298901 1078814701 /nfs/dbraw/zinc/81/47/01/1078814701.db2.gz ZIJJGZYAPZWINA-ZDUSSCGKSA-N 1 0 423.495 0.418 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2cccc(I)c2)no1 ZINC001212302897 1078815581 /nfs/dbraw/zinc/81/55/81/1078815581.db2.gz CWJVXJFQDRVIKP-XVKPBYJWSA-N 1 0 402.192 0.838 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2ccccc2I)no1 ZINC001212302909 1078815597 /nfs/dbraw/zinc/81/55/97/1078815597.db2.gz DMBPBHRNHOFEHQ-XVKPBYJWSA-N 1 0 402.192 0.838 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2ccc(I)c(F)c2)no1 ZINC001212303074 1078816103 /nfs/dbraw/zinc/81/61/03/1078816103.db2.gz LWHCUDRGOAPRFQ-WKEGUHRASA-N 1 0 420.182 0.977 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2ccc(I)cc2F)no1 ZINC001212303266 1078816043 /nfs/dbraw/zinc/81/60/43/1078816043.db2.gz VTZRCZHGXJNYSZ-WKEGUHRASA-N 1 0 420.182 0.977 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2ccc(I)cc2)no1 ZINC001212303271 1078816015 /nfs/dbraw/zinc/81/60/15/1078816015.db2.gz WAQJCDIFMCVMFP-XVKPBYJWSA-N 1 0 402.192 0.838 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2cc(F)cc(I)c2)no1 ZINC001212305168 1078815724 /nfs/dbraw/zinc/81/57/24/1078815724.db2.gz BBNLQGSQBWKIPE-WKEGUHRASA-N 1 0 420.182 0.977 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2cc(F)ccc2I)no1 ZINC001212305212 1078815688 /nfs/dbraw/zinc/81/56/88/1078815688.db2.gz CZUMLSMBHQQPAO-WKEGUHRASA-N 1 0 420.182 0.977 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2ccc(I)nc2)no1 ZINC001212305250 1078815707 /nfs/dbraw/zinc/81/57/07/1078815707.db2.gz GEFDVKOKFMSXTO-XPUUQOCRSA-N 1 0 403.180 0.233 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2cccc(I)c2F)no1 ZINC001212305341 1078815675 /nfs/dbraw/zinc/81/56/75/1078815675.db2.gz KQMKRPUQVKXKNX-RCOVLWMOSA-N 1 0 420.182 0.977 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2ccc(F)c(I)c2)no1 ZINC001212305348 1078815638 /nfs/dbraw/zinc/81/56/38/1078815638.db2.gz LBHITHOKJBYLSG-WKEGUHRASA-N 1 0 420.182 0.977 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2nccc(I)c2F)no1 ZINC001212305369 1078815664 /nfs/dbraw/zinc/81/56/64/1078815664.db2.gz MCHBETLWKJNZFV-FSPLSTOPSA-N 1 0 421.170 0.372 20 0 HCADRO COCOc1ccc(Br)cc1-c1noc([C@H](C)NC(=O)[C@@H]([NH3+])CO)n1 ZINC001212305418 1078815566 /nfs/dbraw/zinc/81/55/66/1078815566.db2.gz OJSGKVQKFGDXEU-KWQFWETISA-N 1 0 415.244 0.979 20 0 HCADRO COCCOc1ccc(-c2noc([C@H](C)NC(=O)[C@@H]([NH3+])CO)n2)cc1OCCOC ZINC001212305455 1078815716 /nfs/dbraw/zinc/81/57/16/1078815716.db2.gz QFPYFXHLUMJLKD-JSGCOSHPSA-N 1 0 424.454 0.284 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2ccc(F)cc2I)no1 ZINC001212305533 1078815657 /nfs/dbraw/zinc/81/56/57/1078815657.db2.gz VFTQMZZTDQSGLC-WKEGUHRASA-N 1 0 420.182 0.977 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2cccc(F)c2I)no1 ZINC001212305549 1078815605 /nfs/dbraw/zinc/81/56/05/1078815605.db2.gz VZROBTVIRMDTLB-RCOVLWMOSA-N 1 0 420.182 0.977 20 0 HCADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2cc(I)ccc2F)no1 ZINC001212305595 1078815619 /nfs/dbraw/zinc/81/56/19/1078815619.db2.gz YAZXBKAYODPSBO-WKEGUHRASA-N 1 0 420.182 0.977 20 0 HCADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC001212306101 1078816033 /nfs/dbraw/zinc/81/60/33/1078816033.db2.gz AJNKXPQEIONRMS-GOSISDBHSA-N 1 0 416.588 0.751 20 0 HCADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC001212306105 1078816050 /nfs/dbraw/zinc/81/60/50/1078816050.db2.gz AJNKXPQEIONRMS-SFHVURJKSA-N 1 0 416.588 0.751 20 0 HCADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)CCCN3CCOCC3)CC2)CC1 ZINC001212306883 1078816397 /nfs/dbraw/zinc/81/63/97/1078816397.db2.gz LLTOFWUYOSLSPD-UHFFFAOYSA-N 1 0 402.605 0.531 20 0 HCADRO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC001212322156 1078824338 /nfs/dbraw/zinc/82/43/38/1078824338.db2.gz ODIKTSDIEIVTJF-BETUJISGSA-N 1 0 409.599 0.848 20 0 HCADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001212322294 1078824271 /nfs/dbraw/zinc/82/42/71/1078824271.db2.gz UBVYBWBMBBZNBX-GASCZTMLSA-N 1 0 417.553 0.326 20 0 HCADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(Cl)s1 ZINC001212336147 1078836425 /nfs/dbraw/zinc/83/64/25/1078836425.db2.gz MAFKOVAQMUWKJJ-DTWKUNHWSA-N 1 0 400.931 0.245 20 0 HCADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1=O ZINC001212373727 1079906746 /nfs/dbraw/zinc/90/67/46/1079906746.db2.gz CASKJDXMOQSTOT-UHFFFAOYSA-N 1 0 403.888 0.506 20 0 HCADRO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1=O ZINC001212373770 1079906815 /nfs/dbraw/zinc/90/68/15/1079906815.db2.gz DFXYOCCJECIPBD-UHFFFAOYSA-N 1 0 404.330 0.985 20 0 HCADRO Cc1nc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)sc1Br ZINC001212373803 1079905460 /nfs/dbraw/zinc/90/54/60/1079905460.db2.gz FTWPBGZZSQUOFG-UHFFFAOYSA-N 1 0 411.347 0.609 20 0 HCADRO COc1cc(Cl)c(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1OC ZINC001212373806 1079906074 /nfs/dbraw/zinc/90/60/74/1079906074.db2.gz FWBQSNIAHCTLBU-UHFFFAOYSA-N 1 0 405.904 0.752 20 0 HCADRO COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001212374019 1079908286 /nfs/dbraw/zinc/90/82/86/1079908286.db2.gz MFVBAAXWDQOBJU-UHFFFAOYSA-N 1 0 424.523 0.438 20 0 HCADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1=O ZINC001212374178 1079911828 /nfs/dbraw/zinc/91/18/28/1079911828.db2.gz RAXJJTNEMVGXIP-UHFFFAOYSA-N 1 0 401.357 0.777 20 0 HCADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)CC1=O ZINC001212374180 1079911608 /nfs/dbraw/zinc/91/16/08/1079911608.db2.gz RCMUQVIEOCBJKN-UHFFFAOYSA-N 1 0 408.293 0.983 20 0 HCADRO CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001212374263 1079910538 /nfs/dbraw/zinc/91/05/38/1079910538.db2.gz UECHALVWAQOIFW-UHFFFAOYSA-N 1 0 413.496 0.266 20 0 HCADRO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1=O ZINC001212374300 1079911080 /nfs/dbraw/zinc/91/10/80/1079911080.db2.gz VKWPNWKSMPSTCW-UHFFFAOYSA-N 1 0 404.330 0.985 20 0 HCADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC001212374400 1079911188 /nfs/dbraw/zinc/91/11/88/1079911188.db2.gz YYDASIDIXVOTOU-UHFFFAOYSA-N 1 0 416.931 0.436 20 0 HCADRO CCN1C[C@H](S(=O)(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CC1=O ZINC001212384248 1080027952 /nfs/dbraw/zinc/02/79/52/1080027952.db2.gz NZFQGYBOZJBRGG-CEXWTWQISA-N 1 0 407.536 0.912 20 0 HCADRO CCN1C[C@H](S(=O)(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC001212384249 1080028003 /nfs/dbraw/zinc/02/80/03/1080028003.db2.gz NZFQGYBOZJBRGG-GUDVDZBRSA-N 1 0 407.536 0.912 20 0 HCADRO CCN1C[C@H](S(=O)(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC001212384250 1080028059 /nfs/dbraw/zinc/02/80/59/1080028059.db2.gz NZFQGYBOZJBRGG-QRVBRYPASA-N 1 0 407.536 0.912 20 0 HCADRO CCN1C[C@H](S(=O)(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CC1=O ZINC001212384251 1080027886 /nfs/dbraw/zinc/02/78/86/1080027886.db2.gz NZFQGYBOZJBRGG-QYZOEREBSA-N 1 0 407.536 0.912 20 0 HCADRO COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)cn1 ZINC001212421914 1080187485 /nfs/dbraw/zinc/18/74/85/1080187485.db2.gz ZTZQZPBBIPXBOP-KRWDZBQOSA-N 1 0 406.508 0.994 20 0 HCADRO COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)cn1 ZINC001212421915 1080187302 /nfs/dbraw/zinc/18/73/02/1080187302.db2.gz ZTZQZPBBIPXBOP-QGZVFWFLSA-N 1 0 406.508 0.994 20 0 HCADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001212422884 1080188909 /nfs/dbraw/zinc/18/89/09/1080188909.db2.gz GELUTNYSWNBDCA-UHFFFAOYSA-N 1 0 420.479 0.317 20 0 HCADRO COC(=O)Cn1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC001212424066 1080188203 /nfs/dbraw/zinc/18/82/03/1080188203.db2.gz VUTKNVFROROONJ-UHFFFAOYSA-N 1 0 407.496 0.642 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)nnn2C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001212452687 1080594973 /nfs/dbraw/zinc/59/49/73/1080594973.db2.gz CKMMUYCRNNYIPU-PBHICJAKSA-N 1 0 422.555 0.824 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)nnn2C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001212452696 1080595259 /nfs/dbraw/zinc/59/52/59/1080595259.db2.gz CKMMUYCRNNYIPU-YOEHRIQHSA-N 1 0 422.555 0.824 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001212452774 1080595038 /nfs/dbraw/zinc/59/50/38/1080595038.db2.gz DBBUABKCTURLPO-HOCLYGCPSA-N 1 0 423.601 0.060 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001212452781 1080595151 /nfs/dbraw/zinc/59/51/51/1080595151.db2.gz DBBUABKCTURLPO-ZBFHGGJFSA-N 1 0 423.601 0.060 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001212452962 1080593940 /nfs/dbraw/zinc/59/39/40/1080593940.db2.gz FHGXOWRECIFOLM-BBWFWOEESA-N 1 0 414.572 0.246 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001212452965 1080593853 /nfs/dbraw/zinc/59/38/53/1080593853.db2.gz FHGXOWRECIFOLM-IKGGRYGDSA-N 1 0 414.572 0.246 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001212452966 1080593968 /nfs/dbraw/zinc/59/39/68/1080593968.db2.gz FHGXOWRECIFOLM-ULQDDVLXSA-N 1 0 414.572 0.246 20 0 HCADRO CC(C)C[C@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001212452967 1080594101 /nfs/dbraw/zinc/59/41/01/1080594101.db2.gz FHGXOWRECIFOLM-ZACQAIPSSA-N 1 0 414.572 0.246 20 0 HCADRO CCN1C[C@@H](S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)CC1=O ZINC001212454066 1080598097 /nfs/dbraw/zinc/59/80/97/1080598097.db2.gz XPAZPKLWUGSPNP-JYJNAYRXSA-N 1 0 402.561 0.104 20 0 HCADRO CCN1C[C@H](S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1=O ZINC001212454068 1080598549 /nfs/dbraw/zinc/59/85/49/1080598549.db2.gz XPAZPKLWUGSPNP-OAGGEKHMSA-N 1 0 402.561 0.104 20 0 HCADRO CCN1C[C@@H](S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1=O ZINC001212454069 1080598686 /nfs/dbraw/zinc/59/86/86/1080598686.db2.gz XPAZPKLWUGSPNP-PMPSAXMXSA-N 1 0 402.561 0.104 20 0 HCADRO CCN1C[C@H](S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)CC1=O ZINC001212454070 1080598670 /nfs/dbraw/zinc/59/86/70/1080598670.db2.gz XPAZPKLWUGSPNP-XHSDSOJGSA-N 1 0 402.561 0.104 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1C ZINC001212459232 1080648906 /nfs/dbraw/zinc/64/89/06/1080648906.db2.gz BQPMAYLWESCOGS-INIZCTEOSA-N 1 0 407.492 0.857 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1C ZINC001212459233 1080649241 /nfs/dbraw/zinc/64/92/41/1080649241.db2.gz BQPMAYLWESCOGS-MRXNPFEDSA-N 1 0 407.492 0.857 20 0 HCADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC001212464835 1080689718 /nfs/dbraw/zinc/68/97/18/1080689718.db2.gz IVUUEBXDXWJYCW-UHFFFAOYSA-N 1 0 406.512 0.832 20 0 HCADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC001212467606 1080742287 /nfs/dbraw/zinc/74/22/87/1080742287.db2.gz GIGLQYUIAUEKSB-INIZCTEOSA-N 1 0 405.524 0.928 20 0 HCADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC001212467780 1080741597 /nfs/dbraw/zinc/74/15/97/1080741597.db2.gz GIGLQYUIAUEKSB-MRXNPFEDSA-N 1 0 405.524 0.928 20 0 HCADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001212470428 1080756869 /nfs/dbraw/zinc/75/68/69/1080756869.db2.gz FZVLEJBSNSTDNW-INIZCTEOSA-N 1 0 421.608 0.646 20 0 HCADRO CO[C@@H]1CCC[C@H]([C@H](CO)NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC001212473827 1080770074 /nfs/dbraw/zinc/77/00/74/1080770074.db2.gz XGZMOHFUQLTPKE-BBWFWOEESA-N 1 0 402.561 0.906 20 0 HCADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC001212473828 1080770160 /nfs/dbraw/zinc/77/01/60/1080770160.db2.gz XGZMOHFUQLTPKE-BRWVUGGUSA-N 1 0 402.561 0.906 20 0 HCADRO CO[C@@H]1CCC[C@H]([C@@H](CO)NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC001212473829 1080770026 /nfs/dbraw/zinc/77/00/26/1080770026.db2.gz XGZMOHFUQLTPKE-GVDBMIGSSA-N 1 0 402.561 0.906 20 0 HCADRO CO[C@@H]1CCC[C@@H]([C@H](CO)NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC001212473830 1080770038 /nfs/dbraw/zinc/77/00/38/1080770038.db2.gz XGZMOHFUQLTPKE-ZACQAIPSSA-N 1 0 402.561 0.906 20 0 HCADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[S@](=O)CC(F)(F)F ZINC001212475913 1080780000 /nfs/dbraw/zinc/78/00/00/1080780000.db2.gz RISPVEUVCAOYHT-DEOSSOPVSA-N 1 0 404.480 0.651 20 0 HCADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[S@@](=O)CC(F)(F)F ZINC001212475914 1080779972 /nfs/dbraw/zinc/77/99/72/1080779972.db2.gz RISPVEUVCAOYHT-XMMPIXPASA-N 1 0 404.480 0.651 20 0 HCADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC001212495556 1080864752 /nfs/dbraw/zinc/86/47/52/1080864752.db2.gz LEVDNKYIMPPRDU-UHFFFAOYSA-N 1 0 423.532 0.711 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)ccc1OC ZINC001212495742 1080865393 /nfs/dbraw/zinc/86/53/93/1080865393.db2.gz NLYGYXYWQVPMOL-UHFFFAOYSA-N 1 0 400.497 0.995 20 0 HCADRO COC(=O)COc1ccc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1 ZINC001212496168 1080866802 /nfs/dbraw/zinc/86/68/02/1080866802.db2.gz XOJBLJMHXKSDPO-UHFFFAOYSA-N 1 0 400.497 0.752 20 0 HCADRO O=C1COc2cc(S(=O)(=O)NC[C@@H](O)C[NH+]3CCCCC3)c(Cl)cc2N1 ZINC001212497100 1080870843 /nfs/dbraw/zinc/87/08/43/1080870843.db2.gz LHDATLQOSPMBAU-LLVKDONJSA-N 1 0 403.888 0.796 20 0 HCADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(OC)cc1F ZINC001212497519 1080873184 /nfs/dbraw/zinc/87/31/84/1080873184.db2.gz ONZIBQIYUZJBPK-GFCCVEGCSA-N 1 0 404.460 0.746 20 0 HCADRO CCOc1ccc(C(=O)OC)cc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC001212498063 1080872308 /nfs/dbraw/zinc/87/23/08/1080872308.db2.gz WHBMIUVUZKXIQW-OAHLLOKOSA-N 1 0 400.497 0.997 20 0 HCADRO O=C1NCCN(CCc2c(Br)ccnc2Br)C12C[NH2+]C2 ZINC001235069495 1077849710 /nfs/dbraw/zinc/84/97/10/1077849710.db2.gz LVRMMSVOPIMQDA-UHFFFAOYSA-N 1 0 404.106 0.923 20 0 HCADRO O=S(=O)(N[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)c1ccc(Br)s1 ZINC001238241349 1079205030 /nfs/dbraw/zinc/20/50/30/1079205030.db2.gz HVZFBXVKXIDSHC-SSDOTTSWSA-N 1 0 401.329 0.318 20 0 HCADRO O=S(=O)(N[C@H]1CCS(=O)(=O)C12C[NH2+]C2)c1ccc(Br)s1 ZINC001238241354 1079205343 /nfs/dbraw/zinc/20/53/43/1079205343.db2.gz HVZFBXVKXIDSHC-ZETCQYMHSA-N 1 0 401.329 0.318 20 0 HCADRO COc1cc(CCNS(=O)(=O)CC[NH3+])c(OC)cc1I ZINC001238441532 1079273321 /nfs/dbraw/zinc/27/33/21/1079273321.db2.gz OXKNCUUVNCFITB-UHFFFAOYSA-N 1 0 414.265 0.729 20 0 HCADRO COC(=O)[C@H](CCC[NH3+])NS(=O)(=O)c1ccccc1I ZINC001238840487 1079338170 /nfs/dbraw/zinc/33/81/70/1079338170.db2.gz QBPQFPWCCTVJHU-JTQLQIEISA-N 1 0 412.249 0.850 20 0 HCADRO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2I)C[C@@H]1[NH3+] ZINC001239136375 1079415651 /nfs/dbraw/zinc/41/56/51/1079415651.db2.gz RNLGULTUMGRZQE-SCZZXKLOSA-N 1 0 410.233 0.412 20 0 HCADRO COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2I)C[C@H]1[NH3+] ZINC001239136376 1079416307 /nfs/dbraw/zinc/41/63/07/1079416307.db2.gz RNLGULTUMGRZQE-WCBMZHEXSA-N 1 0 410.233 0.412 20 0 HCADRO COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2I)C[C@@H]1[NH3+] ZINC001239136378 1079416066 /nfs/dbraw/zinc/41/60/66/1079416066.db2.gz RNLGULTUMGRZQE-WPRPVWTQSA-N 1 0 410.233 0.412 20 0 HCADRO Cn1cnn(CC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)c1=O ZINC001272804388 1079932399 /nfs/dbraw/zinc/93/23/99/1079932399.db2.gz BLOFQLOJRMIPKS-UHFFFAOYSA-N 1 0 414.510 0.069 20 0 HCADRO O=C(NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1CSCC(=O)N1 ZINC001272805659 1079939187 /nfs/dbraw/zinc/93/91/87/1079939187.db2.gz WGRKKMFWGPNZEQ-SFHVURJKSA-N 1 0 418.563 0.706 20 0 HCADRO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001299218293 1077649943 /nfs/dbraw/zinc/64/99/43/1077649943.db2.gz RESVGFJBZQDAQW-INIZCTEOSA-N 1 0 407.563 0.380 20 0 HCADRO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001299218294 1077649976 /nfs/dbraw/zinc/64/99/76/1077649976.db2.gz RESVGFJBZQDAQW-MRXNPFEDSA-N 1 0 407.563 0.380 20 0 HCADRO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001299218338 1077689382 /nfs/dbraw/zinc/68/93/82/1077689382.db2.gz SBTNMMKDWAUSLI-GOSISDBHSA-N 1 0 421.590 0.628 20 0 HCADRO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001299218339 1077689872 /nfs/dbraw/zinc/68/98/72/1077689872.db2.gz SBTNMMKDWAUSLI-SFHVURJKSA-N 1 0 421.590 0.628 20 0 HCADRO CNC(=O)CCN(C)c1nnc(Cc2ccccn2)n1CC[NH+]1CCSCC1 ZINC001299221630 1078022636 /nfs/dbraw/zinc/02/26/36/1078022636.db2.gz PGGUCORBIVXDJH-UHFFFAOYSA-N 1 0 403.556 0.885 20 0 HCADRO CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001299228009 1079234537 /nfs/dbraw/zinc/23/45/37/1079234537.db2.gz ZEFASAGLMPMXKH-UHFFFAOYSA-N 1 0 421.546 0.101 20 0 HCADRO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001299233016 1079238603 /nfs/dbraw/zinc/23/86/03/1079238603.db2.gz PRMSRCOLUWCWQW-UHFFFAOYSA-N 1 0 400.487 0.592 20 0 HCADRO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001299233181 1079238515 /nfs/dbraw/zinc/23/85/15/1079238515.db2.gz SAAQCPKJJHRVOP-CABCVRRESA-N 1 0 412.498 0.734 20 0 HCADRO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001299233188 1079238904 /nfs/dbraw/zinc/23/89/04/1079238904.db2.gz SAAQCPKJJHRVOP-GJZGRUSLSA-N 1 0 412.498 0.734 20 0 HCADRO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001299233195 1079238964 /nfs/dbraw/zinc/23/89/64/1079238964.db2.gz SAAQCPKJJHRVOP-HUUCEWRRSA-N 1 0 412.498 0.734 20 0 HCADRO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001299233198 1079239022 /nfs/dbraw/zinc/23/90/22/1079239022.db2.gz SAAQCPKJJHRVOP-LSDHHAIUSA-N 1 0 412.498 0.734 20 0 HCADRO C[NH+](C)CCN1C[C@@H](C(=O)NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC001299234452 1079239534 /nfs/dbraw/zinc/23/95/34/1079239534.db2.gz CMYBVJFIZXGBQV-HNNXBMFYSA-N 1 0 412.531 0.275 20 0 HCADRO C[NH+](C)CCN1C[C@H](C(=O)NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC001299234453 1079239705 /nfs/dbraw/zinc/23/97/05/1079239705.db2.gz CMYBVJFIZXGBQV-OAHLLOKOSA-N 1 0 412.531 0.275 20 0 HCADRO CNC(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001299242145 1079246246 /nfs/dbraw/zinc/24/62/46/1079246246.db2.gz DNLPCXNVDBNXRH-UHFFFAOYSA-N 1 0 414.514 0.420 20 0 HCADRO CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001299242980 1079247126 /nfs/dbraw/zinc/24/71/26/1079247126.db2.gz OKPQREABGKODRO-MRXNPFEDSA-N 1 0 401.515 0.958 20 0 HCADRO CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001299243265 1079247345 /nfs/dbraw/zinc/24/73/45/1079247345.db2.gz LPUCAOQWAMLSMT-HNNXBMFYSA-N 1 0 405.547 0.924 20 0 HCADRO CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001299243266 1079247304 /nfs/dbraw/zinc/24/73/04/1079247304.db2.gz LPUCAOQWAMLSMT-OAHLLOKOSA-N 1 0 405.547 0.924 20 0 HCADRO CNC(=O)CCn1c(-c2cccn2C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001299243280 1079247259 /nfs/dbraw/zinc/24/72/59/1079247259.db2.gz RUKOPZSSRUBRLO-UHFFFAOYSA-N 1 0 403.531 0.967 20 0 HCADRO CNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001299243872 1079247895 /nfs/dbraw/zinc/24/78/95/1079247895.db2.gz RVAJJOVOWAGTSL-UHFFFAOYSA-N 1 0 417.514 0.920 20 0 HCADRO CNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001299251412 1079256451 /nfs/dbraw/zinc/25/64/51/1079256451.db2.gz KEBKSCRXDPNKNN-INIZCTEOSA-N 1 0 419.574 0.746 20 0 HCADRO CNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001299251413 1079256569 /nfs/dbraw/zinc/25/65/69/1079256569.db2.gz KEBKSCRXDPNKNN-MRXNPFEDSA-N 1 0 419.574 0.746 20 0 HCADRO CNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001299251550 1079256507 /nfs/dbraw/zinc/25/65/07/1079256507.db2.gz NASQDJDJEOPPKC-KRWDZBQOSA-N 1 0 406.531 0.467 20 0 HCADRO CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001299251551 1079256617 /nfs/dbraw/zinc/25/66/17/1079256617.db2.gz NASQDJDJEOPPKC-QGZVFWFLSA-N 1 0 406.531 0.467 20 0 HCADRO CNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001299252207 1079257702 /nfs/dbraw/zinc/25/77/02/1079257702.db2.gz RJLYAWZVJVKEKD-KRWDZBQOSA-N 1 0 416.530 0.364 20 0 HCADRO CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001299252208 1079257862 /nfs/dbraw/zinc/25/78/62/1079257862.db2.gz RJLYAWZVJVKEKD-QGZVFWFLSA-N 1 0 416.530 0.364 20 0 HCADRO CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001299253649 1079258966 /nfs/dbraw/zinc/25/89/66/1079258966.db2.gz LVNQPUOZCWXHFU-INIZCTEOSA-N 1 0 401.515 0.557 20 0 HCADRO CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001299253650 1079259004 /nfs/dbraw/zinc/25/90/04/1079259004.db2.gz LVNQPUOZCWXHFU-MRXNPFEDSA-N 1 0 401.515 0.557 20 0 HCADRO CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001299258203 1079261489 /nfs/dbraw/zinc/26/14/89/1079261489.db2.gz CZGIGEDYRVAFMG-CYBMUJFWSA-N 1 0 401.460 0.031 20 0 HCADRO CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC001299258204 1079261551 /nfs/dbraw/zinc/26/15/51/1079261551.db2.gz CZGIGEDYRVAFMG-ZDUSSCGKSA-N 1 0 401.460 0.031 20 0 HCADRO CNC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001299261484 1079268058 /nfs/dbraw/zinc/26/80/58/1079268058.db2.gz YVGRLCUNUIHCKC-AWEZNQCLSA-N 1 0 421.571 0.927 20 0 HCADRO CNC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001299261485 1079267908 /nfs/dbraw/zinc/26/79/08/1079267908.db2.gz YVGRLCUNUIHCKC-CQSZACIVSA-N 1 0 421.571 0.927 20 0 HCADRO CNC(=O)CCn1c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001299264007 1079269165 /nfs/dbraw/zinc/26/91/65/1079269165.db2.gz WUISXNRMKKHCCO-UHFFFAOYSA-N 1 0 405.547 0.456 20 0 HCADRO CCN1CCC([NH+]2CCC(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)CC1 ZINC001299265319 1079270423 /nfs/dbraw/zinc/27/04/23/1079270423.db2.gz CJGBGAPSXLNYSN-UHFFFAOYSA-N 1 0 405.547 0.470 20 0 HCADRO C[NH+](C)CCn1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cn1 ZINC001299267218 1079460724 /nfs/dbraw/zinc/46/07/24/1079460724.db2.gz YUVUTTNFOXKHFM-AWEZNQCLSA-N 1 0 400.501 0.026 20 0 HCADRO C[NH+](C)CCn1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cn1 ZINC001299267223 1079461878 /nfs/dbraw/zinc/46/18/78/1079461878.db2.gz YUVUTTNFOXKHFM-CQSZACIVSA-N 1 0 400.501 0.026 20 0 HCADRO CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001299268628 1080086824 /nfs/dbraw/zinc/08/68/24/1080086824.db2.gz ALWMHZXUUVDTCB-INIZCTEOSA-N 1 0 420.562 0.610 20 0 HCADRO CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001299268629 1080087041 /nfs/dbraw/zinc/08/70/41/1080087041.db2.gz ALWMHZXUUVDTCB-MRXNPFEDSA-N 1 0 420.562 0.610 20 0 HCADRO CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCC2)CC1 ZINC001299268932 1080191972 /nfs/dbraw/zinc/19/19/72/1080191972.db2.gz GCJRGSYXBFAWTN-UHFFFAOYSA-N 1 0 418.546 0.461 20 0 HCADRO CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCCC2)CC1 ZINC001299269219 1080200450 /nfs/dbraw/zinc/20/04/50/1080200450.db2.gz KVABOIUVKZXSAU-UHFFFAOYSA-N 1 0 418.546 0.461 20 0 HCADRO CNC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001299276248 1081349270 /nfs/dbraw/zinc/34/92/70/1081349270.db2.gz DPSSRRFMLKYPFT-AWEZNQCLSA-N 1 0 406.535 0.278 20 0 HCADRO CNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001299276255 1081349687 /nfs/dbraw/zinc/34/96/87/1081349687.db2.gz DPSSRRFMLKYPFT-CQSZACIVSA-N 1 0 406.535 0.278 20 0 HCADRO CNC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001299276935 1081361718 /nfs/dbraw/zinc/36/17/18/1081361718.db2.gz FPLNPOXWEGNVID-UHFFFAOYSA-N 1 0 416.530 0.845 20 0 HCADRO CNC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001299277408 1081362826 /nfs/dbraw/zinc/36/28/26/1081362826.db2.gz KJKASIBAGXRWLQ-HNNXBMFYSA-N 1 0 406.535 0.421 20 0 HCADRO CNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001299277410 1081362641 /nfs/dbraw/zinc/36/26/41/1081362641.db2.gz KJKASIBAGXRWLQ-OAHLLOKOSA-N 1 0 406.535 0.421 20 0 HCADRO CNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCC[N@H+](C)CCOC)CC1 ZINC001299278656 1081365833 /nfs/dbraw/zinc/36/58/33/1081365833.db2.gz PUOLWIKVIJGACI-KRWDZBQOSA-N 1 0 423.562 0.602 20 0 HCADRO CNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@H+](C)CCOC)CC1 ZINC001299278662 1081366308 /nfs/dbraw/zinc/36/63/08/1081366308.db2.gz PUOLWIKVIJGACI-QGZVFWFLSA-N 1 0 423.562 0.602 20 0 HCADRO CNC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)CCCOC)CC1 ZINC001299278695 1081366274 /nfs/dbraw/zinc/36/62/74/1081366274.db2.gz NVKBXMLSPAGGLJ-UHFFFAOYSA-N 1 0 416.530 0.770 20 0 HCADRO CNC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)CCOC)CC1 ZINC001299278852 1081366820 /nfs/dbraw/zinc/36/68/20/1081366820.db2.gz PECWZNAACQPESV-UHFFFAOYSA-N 1 0 416.530 0.688 20 0 HCADRO CNC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001299278894 1081367161 /nfs/dbraw/zinc/36/71/61/1081367161.db2.gz PXNGDZJLZQTNBM-UHFFFAOYSA-N 1 0 416.530 0.847 20 0 HCADRO CNC(=O)N1CCN(c2nnc(C3CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001299278976 1081367331 /nfs/dbraw/zinc/36/73/31/1081367331.db2.gz RPVVVLDVWMSFGM-KRWDZBQOSA-N 1 0 405.547 0.974 20 0 HCADRO CNC(=O)N1CCN(c2nnc(C3CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001299278978 1081367230 /nfs/dbraw/zinc/36/72/30/1081367230.db2.gz RPVVVLDVWMSFGM-QGZVFWFLSA-N 1 0 405.547 0.974 20 0 HCADRO CNC(=O)N1CCN(c2nnc(-c3ccccc3)n2CC[N@H+](C)CCOC)CC1 ZINC001299279048 1081367637 /nfs/dbraw/zinc/36/76/37/1081367637.db2.gz KTAPQKHUQGGMCZ-UHFFFAOYSA-N 1 0 401.515 0.985 20 0 HCADRO CNC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001299279252 1081368685 /nfs/dbraw/zinc/36/86/85/1081368685.db2.gz RCGXEXRKTFDQJK-INIZCTEOSA-N 1 0 415.546 0.872 20 0 HCADRO CNC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001299279261 1081368779 /nfs/dbraw/zinc/36/87/79/1081368779.db2.gz RCGXEXRKTFDQJK-MRXNPFEDSA-N 1 0 415.546 0.872 20 0 HCADRO CNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCOCC[NH+](C)C)CC1 ZINC001299279445 1081369026 /nfs/dbraw/zinc/36/90/26/1081369026.db2.gz VUYDPPATWZSBGT-INIZCTEOSA-N 1 0 409.535 0.212 20 0 HCADRO CNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCC[NH+](C)C)CC1 ZINC001299279446 1081369065 /nfs/dbraw/zinc/36/90/65/1081369065.db2.gz VUYDPPATWZSBGT-MRXNPFEDSA-N 1 0 409.535 0.212 20 0 HCADRO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)NC(=O)NC1CCCCC1 ZINC001483753085 1078002234 /nfs/dbraw/zinc/00/22/34/1078002234.db2.gz LYGFTCDIQVZWGL-OCABDXPQSA-N 1 0 404.511 0.807 20 0 HCADRO CCNC(=O)NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001483804805 1078647168 /nfs/dbraw/zinc/64/71/68/1078647168.db2.gz UXKASJKBCCGUSL-PNGLPPSOSA-N 1 0 404.511 0.757 20 0 HCADRO CC1(C)NC(=O)N(CCC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1=O ZINC001483938195 1078661134 /nfs/dbraw/zinc/66/11/34/1078661134.db2.gz RJCWTMXIJVHQDF-JHMPBIJASA-N 1 0 404.511 0.711 20 0 HCADRO CC1(C)NC(=O)N(CCC[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1=O ZINC001483938196 1078661168 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O=C(NCCN1CCC([NH2+]CCCN2CCCC2=O)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001484419649 1078808378 /nfs/dbraw/zinc/80/83/78/1078808378.db2.gz AHRHKFWTWHXRJB-IYWGDAJJSA-N 1 0 404.555 0.593 20 0 HCADRO CCCn1nnnc1CNC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001484419942 1078808398 /nfs/dbraw/zinc/80/83/98/1078808398.db2.gz LBWCBTHBEIKONS-BCDMZGRMSA-N 1 0 403.531 0.177 20 0 HCADRO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)N(C)c1ccccc1 ZINC001484489014 1078813189 /nfs/dbraw/zinc/81/31/89/1078813189.db2.gz FOJKDANIBQDCDM-AZQPHWPRSA-N 1 0 401.507 0.872 20 0 HCADRO C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)N(C)c1ccccc1 ZINC001484489015 1078813287 /nfs/dbraw/zinc/81/32/87/1078813287.db2.gz FOJKDANIBQDCDM-LBCBGTHCSA-N 1 0 401.507 0.872 20 0 HCADRO O=C(C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1)NC[C@H]1CCCO1 ZINC001484579763 1078826075 /nfs/dbraw/zinc/82/60/75/1078826075.db2.gz 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SPLZXJPYZVTKAT-TXQSJXHQSA-N 1 0 402.491 0.833 20 0 HCADRO CN(C[C@H](O)C[NH2+]CCc1ccc2c(c1)OCCO2)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001486291819 1080501379 /nfs/dbraw/zinc/50/13/79/1080501379.db2.gz SPLZXJPYZVTKAT-ZDCWYSAZSA-N 1 0 402.491 0.833 20 0 HCADRO C[C@@H]([NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(F)c1)C(=O)NC(N)=O ZINC001486524469 1080549027 /nfs/dbraw/zinc/54/90/27/1080549027.db2.gz DUJKGEFXTDQYLP-DOZNAXDZSA-N 1 0 404.442 0.538 20 0 HCADRO C[C@H]([NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(F)c1)C(=O)NC(N)=O ZINC001486524470 1080549062 /nfs/dbraw/zinc/54/90/62/1080549062.db2.gz DUJKGEFXTDQYLP-YHMZSZJBSA-N 1 0 404.442 0.538 20 0 HCADRO CNC(=O)NC(=O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(F)c1 ZINC001486524832 1080549269 /nfs/dbraw/zinc/54/92/69/1080549269.db2.gz OLGJCJAGLGTEJG-DBMJBKLQSA-N 1 0 404.442 0.411 20 0 HCADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001545673561 1078852059 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AWJHOTZJXGRPFR-FQEVSTJZSA-N 1 0 401.511 0.569 20 0 HCADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cnn(C[C@@H](O)CO)c1 ZINC001626073029 1081107553 /nfs/dbraw/zinc/10/75/53/1081107553.db2.gz AWJHOTZJXGRPFR-HXUWFJFHSA-N 1 0 401.511 0.569 20 0 HCADRO COc1cc2nc(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)c(=O)n(C)c2cc1OC ZINC001626075736 1081192678 /nfs/dbraw/zinc/19/26/78/1081192678.db2.gz JPIXHRPYPAZSQT-UHFFFAOYSA-N 1 0 417.510 0.707 20 0 HCADRO COc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)nc1I ZINC001626954052 1079798229 /nfs/dbraw/zinc/79/82/29/1079798229.db2.gz KDUMKXHAFGFWOK-QWRGUYRKSA-N 1 0 417.247 0.976 20 0 HCADRO COc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)nc1I ZINC001626954053 1079798441 /nfs/dbraw/zinc/79/84/41/1079798441.db2.gz KDUMKXHAFGFWOK-WDEREUQCSA-N 1 0 417.247 0.976 20 0 HCADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001649031175 1078080491 /nfs/dbraw/zinc/08/04/91/1078080491.db2.gz RPNOOWARKFPJRA-NRFANRHFSA-N 1 0 418.538 0.671 20 0 HCADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001649031176 1078080445 /nfs/dbraw/zinc/08/04/45/1078080445.db2.gz RPNOOWARKFPJRA-OAQYLSRUSA-N 1 0 418.538 0.671 20 0 HCADRO COC(=O)C1=NO[C@@]2(CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)C2)C1 ZINC001649041488 1079668980 /nfs/dbraw/zinc/66/89/80/1079668980.db2.gz NBWFLIDGCPFNEM-NRFANRHFSA-N 1 0 400.479 0.968 20 0 HCADRO COC(=O)C1=NO[C@]2(CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)C2)C1 ZINC001649041497 1079668834 /nfs/dbraw/zinc/66/88/34/1079668834.db2.gz NBWFLIDGCPFNEM-OAQYLSRUSA-N 1 0 400.479 0.968 20 0 HCADRO C[NH+](C)CCSc1nc(CC(=O)NC[C@]23COC(=O)N2CCOC3)cs1 ZINC001649059465 1079887118 /nfs/dbraw/zinc/88/71/18/1079887118.db2.gz QHRLYDGMALWQJQ-INIZCTEOSA-N 1 0 400.526 0.677 20 0 HCADRO C[NH+](C)CCSc1nc(CC(=O)NC[C@@]23COC(=O)N2CCOC3)cs1 ZINC001649059466 1079887142 /nfs/dbraw/zinc/88/71/42/1079887142.db2.gz QHRLYDGMALWQJQ-MRXNPFEDSA-N 1 0 400.526 0.677 20 0 HCADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC001649064362 1079905517 /nfs/dbraw/zinc/90/55/17/1079905517.db2.gz DTXBOVMCEXHXMT-HNNXBMFYSA-N 1 0 405.542 0.908 20 0 HCADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC001649064363 1079905260 /nfs/dbraw/zinc/90/52/60/1079905260.db2.gz DTXBOVMCEXHXMT-OAHLLOKOSA-N 1 0 405.542 0.908 20 0 HCADRO CN(c1ccc(C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)cc1)S(C)(=O)=O ZINC001649106298 1080010619 /nfs/dbraw/zinc/01/06/19/1080010619.db2.gz AZACGZUJYKNDTI-UHFFFAOYSA-N 1 0 404.540 0.914 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccc(C(=O)OC)n2C)c1 ZINC001649111937 1080013768 /nfs/dbraw/zinc/01/37/68/1080013768.db2.gz GKYWYIORHLEPLC-GFCCVEGCSA-N 1 0 408.480 0.837 20 0 HCADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccc(C(=O)OC)n2C)c1 ZINC001649111938 1080013638 /nfs/dbraw/zinc/01/36/38/1080013638.db2.gz GKYWYIORHLEPLC-LBPRGKRZSA-N 1 0 408.480 0.837 20 0 HCADRO O=C(Nc1ccc(N2CCOCC2)cn1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001670874668 1078013709 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CS(=O)(=O)c1c(F)cccc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001671008254 1080071417 /nfs/dbraw/zinc/07/14/17/1080071417.db2.gz NKIMMLVZVGUNMK-GFCCVEGCSA-N 1 0 400.476 0.938 20 0 HCADRO CS(=O)(=O)c1c(F)cccc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001671008262 1080071601 /nfs/dbraw/zinc/07/16/01/1080071601.db2.gz NKIMMLVZVGUNMK-LBPRGKRZSA-N 1 0 400.476 0.938 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)nc1 ZINC001671008729 1080072344 /nfs/dbraw/zinc/07/23/44/1080072344.db2.gz VFRFKFIFYDKGLR-HNNXBMFYSA-N 1 0 410.544 0.576 20 0 HCADRO CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nc1 ZINC001671008730 1080072407 /nfs/dbraw/zinc/07/24/07/1080072407.db2.gz VFRFKFIFYDKGLR-OAHLLOKOSA-N 1 0 410.544 0.576 20 0 HCADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001671009376 1080072902 /nfs/dbraw/zinc/07/29/02/1080072902.db2.gz DUPKCCMVJHOGOY-DOTOQJQBSA-N 1 0 403.593 0.370 20 0 HCADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001671009377 1080072361 /nfs/dbraw/zinc/07/23/61/1080072361.db2.gz DUPKCCMVJHOGOY-NVXWUHKLSA-N 1 0 403.593 0.370 20 0 HCADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001671009378 1080072170 /nfs/dbraw/zinc/07/21/70/1080072170.db2.gz DUPKCCMVJHOGOY-RDJZCZTQSA-N 1 0 403.593 0.370 20 0 HCADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001671009379 1080072492 /nfs/dbraw/zinc/07/24/92/1080072492.db2.gz DUPKCCMVJHOGOY-WBVHZDCISA-N 1 0 403.593 0.370 20 0 HCADRO COc1cc(NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)ccc1OCC[NH+](C)C ZINC001671012094 1080074606 /nfs/dbraw/zinc/07/46/06/1080074606.db2.gz JKFYKMDQNJMZRR-KRWDZBQOSA-N 1 0 401.485 0.307 20 0 HCADRO COc1cc(NC(=O)NC[C@]2(O)CCS(=O)(=O)C2)ccc1OCC[NH+](C)C ZINC001671012095 1080074409 /nfs/dbraw/zinc/07/44/09/1080074409.db2.gz JKFYKMDQNJMZRR-QGZVFWFLSA-N 1 0 401.485 0.307 20 0 HCADRO COc1cc(NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)ccc1OCC[NH+](C)C ZINC001671013036 1080075073 /nfs/dbraw/zinc/07/50/73/1080075073.db2.gz SLRGCTBKKFXEKM-AWEZNQCLSA-N 1 0 400.501 0.791 20 0 HCADRO COc1cc(NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)ccc1OCC[NH+](C)C ZINC001671013037 1080074922 /nfs/dbraw/zinc/07/49/22/1080074922.db2.gz SLRGCTBKKFXEKM-CQSZACIVSA-N 1 0 400.501 0.791 20 0 HCADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)c1ccc(C(=O)N3CCOCC3)cc1)CC2 ZINC001671048299 1080091095 /nfs/dbraw/zinc/09/10/95/1080091095.db2.gz TXTJMZLIDAHDSC-UHFFFAOYSA-N 1 0 402.476 0.883 20 0 HCADRO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001671055036 1080405075 /nfs/dbraw/zinc/40/50/75/1080405075.db2.gz IDSKZMMKVAWTOS-JHMPBIJASA-N 1 0 404.511 0.568 20 0 HCADRO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001671055037 1080407770 /nfs/dbraw/zinc/40/77/70/1080407770.db2.gz IDSKZMMKVAWTOS-NEXGVSGLSA-N 1 0 404.511 0.568 20 0 HCADRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCc2nnc3c(=O)n(C)ccn23)CC1 ZINC001687432462 1073762303 /nfs/dbraw/zinc/76/23/03/1073762303.db2.gz NYZDQYFGJHHZLC-UHFFFAOYSA-N 1 0 403.487 0.214 20 0 HCADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3nnc4c(=O)n(C)ccn34)CC2)CC1 ZINC001687432740 1073840511 /nfs/dbraw/zinc/84/05/11/1073840511.db2.gz YXRWMRLKPPSHPH-UHFFFAOYSA-N 1 0 416.530 0.128 20 0 HCADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC001687444731 1078912718 /nfs/dbraw/zinc/91/27/18/1078912718.db2.gz DENLCVNLHHIHGT-GOSISDBHSA-N 1 0 401.511 0.823 20 0 HCADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC001687444732 1078912620 /nfs/dbraw/zinc/91/26/20/1078912620.db2.gz DENLCVNLHHIHGT-SFHVURJKSA-N 1 0 401.511 0.823 20 0 HCADRO O=C(NCCN1CCNC1=S)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001687445179 1078974635 /nfs/dbraw/zinc/97/46/35/1078974635.db2.gz OBHDGBQJJQLPRB-UHFFFAOYSA-N 1 0 405.568 0.893 20 0 HCADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001687445640 1079001453 /nfs/dbraw/zinc/00/14/53/1079001453.db2.gz YSLRKIIZLNNFNQ-KRWDZBQOSA-N 1 0 415.494 0.349 20 0 HCADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001687445641 1079001294 /nfs/dbraw/zinc/00/12/94/1079001294.db2.gz YSLRKIIZLNNFNQ-QGZVFWFLSA-N 1 0 415.494 0.349 20 0 HCADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N1CCS(=O)(=O)CCO1 ZINC001687445655 1079002299 /nfs/dbraw/zinc/00/22/99/1079002299.db2.gz YYPNLTJWDRAZDX-UHFFFAOYSA-N 1 0 411.524 0.775 20 0 HCADRO COc1cc[nH+]c(N2CCN(C(=O)NCc3cn(C4CC4)c(=O)[nH]c3=O)CC2)c1 ZINC001687446416 1079045685 /nfs/dbraw/zinc/04/56/85/1079045685.db2.gz DGJZTMIOSIPPHR-UHFFFAOYSA-N 1 0 400.439 0.719 20 0 HCADRO C[C@@H]1CN(C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001687446493 1079047712 /nfs/dbraw/zinc/04/77/12/1079047712.db2.gz GQGXTYDAJMMSRO-PBHICJAKSA-N 1 0 404.515 0.451 20 0 HCADRO C[C@@H]1CN(C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001687446494 1079047661 /nfs/dbraw/zinc/04/76/61/1079047661.db2.gz GQGXTYDAJMMSRO-RHSMWYFYSA-N 1 0 404.515 0.451 20 0 HCADRO C[C@H]1CN(C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001687446495 1079047820 /nfs/dbraw/zinc/04/78/20/1079047820.db2.gz GQGXTYDAJMMSRO-WMLDXEAASA-N 1 0 404.515 0.451 20 0 HCADRO C[C@H]1CN(C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001687446496 1079047777 /nfs/dbraw/zinc/04/77/77/1079047777.db2.gz GQGXTYDAJMMSRO-YOEHRIQHSA-N 1 0 404.515 0.451 20 0 HCADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001687449455 1079921647 /nfs/dbraw/zinc/92/16/47/1079921647.db2.gz AQZYIFBPFRDKJY-UHFFFAOYSA-N 1 0 403.593 0.516 20 0 HCADRO CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC001687449813 1079936830 /nfs/dbraw/zinc/93/68/30/1079936830.db2.gz MFAUZHMMPVVMRH-UHFFFAOYSA-N 1 0 416.588 0.991 20 0 HCADRO O=C(NCc1nnc2n1CCNC2=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001687451310 1079970038 /nfs/dbraw/zinc/97/00/38/1079970038.db2.gz ITAUZTMUIRHRQS-UHFFFAOYSA-N 1 0 411.510 0.872 20 0 HCADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCC[C@@H]2CCCS2(=O)=O)CC1 ZINC001687453575 1080004706 /nfs/dbraw/zinc/00/47/06/1080004706.db2.gz YHMSPUUWBKFZJK-HNNXBMFYSA-N 1 0 400.545 0.469 20 0 HCADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCC[C@H]2CCCS2(=O)=O)CC1 ZINC001687453576 1080004635 /nfs/dbraw/zinc/00/46/35/1080004635.db2.gz YHMSPUUWBKFZJK-OAHLLOKOSA-N 1 0 400.545 0.469 20 0 HCADRO C[N@H+](CCNC(=O)C1CCN(C(=O)N[C@H]2CCOC2=O)CC1)Cc1ccccc1 ZINC001687474618 1080014587 /nfs/dbraw/zinc/01/45/87/1080014587.db2.gz ZORTUYHYOCQDKI-SFHVURJKSA-N 1 0 402.495 0.972 20 0 HCADRO CN(C)c1n[nH]c(CNC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)n1 ZINC001687475903 1080015876 /nfs/dbraw/zinc/01/58/76/1080015876.db2.gz AIJSXGMCJCGRTB-UHFFFAOYSA-N 1 0 416.530 0.843 20 0 HCADRO CN(C)c1n[nH]c(CNC(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001687476926 1080016229 /nfs/dbraw/zinc/01/62/29/1080016229.db2.gz YYFDFKRANLHDFY-UHFFFAOYSA-N 1 0 400.531 0.830 20 0 HCADRO CC(C)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001691652305 1080018063 /nfs/dbraw/zinc/01/80/63/1080018063.db2.gz BWQCIFUJDRKKLQ-KRWDZBQOSA-N 1 0 408.547 0.543 20 0 HCADRO CC(C)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001691652306 1080017966 /nfs/dbraw/zinc/01/79/66/1080017966.db2.gz BWQCIFUJDRKKLQ-QGZVFWFLSA-N 1 0 408.547 0.543 20 0 HCADRO