smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1c(C)noc1C ZINC000436022115 861313343 /nfs/dbraw/zinc/31/33/43/861313343.db2.gz ALWCBNMKOHIULF-HXUWFJFHSA-N 1 0 408.546 4.280 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000436029814 861322560 /nfs/dbraw/zinc/32/25/60/861322560.db2.gz GSFFVMGYGGTDLY-UHFFFAOYSA-N 1 0 405.517 4.132 20 10 HICDRO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000016386683 846163397 /nfs/dbraw/zinc/16/33/97/846163397.db2.gz FDZRVKYDAKKSNA-SFHVURJKSA-N 1 0 411.546 4.153 20 10 HICDRO C[C@H](c1nc2ccccc2s1)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000021995822 846518666 /nfs/dbraw/zinc/51/86/66/846518666.db2.gz IMKJXOSXQCWOMG-MRXNPFEDSA-N 1 0 404.539 4.429 20 10 HICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccn2)c1 ZINC000048751530 849263861 /nfs/dbraw/zinc/26/38/61/849263861.db2.gz RZEPFPBLVPFUEU-FQEVSTJZSA-N 1 0 403.526 4.348 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc(O)cc3F)no2)C1 ZINC000436881970 862058996 /nfs/dbraw/zinc/05/89/96/862058996.db2.gz ZJVXDVQQMILTOA-UHFFFAOYSA-N 1 0 406.461 4.351 20 10 HICDRO CN(C)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1F ZINC000058474905 850834408 /nfs/dbraw/zinc/83/44/08/850834408.db2.gz XTXJTALTIYWCMG-UHFFFAOYSA-N 1 0 401.489 4.429 20 10 HICDRO COc1ccc(N2CCC[N@H+](CC(=O)N(C)[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000097494675 852619314 /nfs/dbraw/zinc/61/93/14/852619314.db2.gz SBGAGAOBFWTRJN-SFHVURJKSA-N 1 0 415.965 4.080 20 10 HICDRO COc1ccc(N2CC[NH+](CCCNCc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000237275087 853995135 /nfs/dbraw/zinc/99/51/35/853995135.db2.gz QMHAGISUPRZIHM-UHFFFAOYSA-N 1 0 422.598 4.121 20 10 HICDRO Oc1cc2c(cc1C[NH2+]Cc1cn(Cc3ccccc3)nc1-c1ccccc1)OCO2 ZINC000238135165 854146491 /nfs/dbraw/zinc/14/64/91/854146491.db2.gz KYRTXYORDQECJT-UHFFFAOYSA-N 1 0 413.477 4.323 20 10 HICDRO COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)c2C)cc1 ZINC000302642201 854596868 /nfs/dbraw/zinc/59/68/68/854596868.db2.gz RLEZJRVYTRMLAA-UHFFFAOYSA-N 1 0 418.541 4.107 20 10 HICDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[C@@H](C)C1 ZINC000303710738 855145531 /nfs/dbraw/zinc/14/55/31/855145531.db2.gz PTJVXEDASCDLDC-WMZHIEFXSA-N 1 0 411.590 4.269 20 10 HICDRO CC(=O)N(C)c1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000435815376 861080884 /nfs/dbraw/zinc/08/08/84/861080884.db2.gz DXZMHKNJJQCCGC-UHFFFAOYSA-N 1 0 418.541 4.029 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3ccc(F)cc3C2)C1 ZINC000435919233 861178965 /nfs/dbraw/zinc/17/89/65/861178965.db2.gz ZLWWLQLMXZVQKV-UHFFFAOYSA-N 1 0 405.517 4.132 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2c2ccncc2)C1 ZINC000443913887 868449126 /nfs/dbraw/zinc/44/91/26/868449126.db2.gz QOYPNFGOBSQPIT-JOCHJYFZSA-N 1 0 402.542 4.167 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nccc(-c3ccco3)n2)C1 ZINC000464455097 877674531 /nfs/dbraw/zinc/67/45/31/877674531.db2.gz BBFHFIPSWPTIHP-UHFFFAOYSA-N 1 0 415.497 4.097 20 10 HICDRO Cc1cc(C2CC2)nc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000464595639 877822668 /nfs/dbraw/zinc/82/26/68/877822668.db2.gz IZGZQBNIWNSVKX-UHFFFAOYSA-N 1 0 403.530 4.022 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000472241456 887050446 /nfs/dbraw/zinc/05/04/46/887050446.db2.gz PSBOFRURKJIGNF-UHFFFAOYSA-N 1 0 404.558 4.293 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC=C(c3ccco3)C2)C1 ZINC000557074398 943013710 /nfs/dbraw/zinc/01/37/10/943013710.db2.gz MFKKJTLLLFBNEW-UHFFFAOYSA-N 1 0 403.526 4.317 20 10 HICDRO COc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc(OC)c1OCC(F)F ZINC000557499505 943169772 /nfs/dbraw/zinc/16/97/72/943169772.db2.gz JJDHQOZEHKMYPH-UHFFFAOYSA-N 1 0 404.457 4.438 20 10 HICDRO Cc1noc(C)c1C(C)(C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000557775357 943287594 /nfs/dbraw/zinc/28/75/94/943287594.db2.gz NLDDXEZWRPKJRE-UHFFFAOYSA-N 1 0 408.546 4.064 20 10 HICDRO CC(C)n1cc([C@H](C)NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cn1 ZINC000570029407 947078119 /nfs/dbraw/zinc/07/81/19/947078119.db2.gz DCMYGYDIAHUCKK-SFHVURJKSA-N 1 0 407.562 4.063 20 10 HICDRO Cc1cccc2c1OCC[C@H]2NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435997958 861283593 /nfs/dbraw/zinc/28/35/93/861283593.db2.gz UVJHCCCFTHFPPL-JOCHJYFZSA-N 1 0 417.553 4.356 20 10 HICDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 ZINC000108088772 852822206 /nfs/dbraw/zinc/82/22/06/852822206.db2.gz NXZBSUFUTDCLLW-KRWDZBQOSA-N 1 0 410.493 4.466 20 10 HICDRO C[C@H](c1ccccc1)[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC000216481090 853854317 /nfs/dbraw/zinc/85/43/17/853854317.db2.gz VGRCQROCKRIMBB-GOSISDBHSA-N 1 0 418.493 4.365 20 10 HICDRO CCOc1ccc(O)c(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 ZINC000237087305 853962125 /nfs/dbraw/zinc/96/21/25/853962125.db2.gz YOXGPWWKCKVEFY-IBGZPJMESA-N 1 0 422.447 4.263 20 10 HICDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000237128547 853968429 /nfs/dbraw/zinc/96/84/29/853968429.db2.gz IHXKLZNHUNSGCA-UHFFFAOYSA-N 1 0 421.585 4.009 20 10 HICDRO COc1cc(OC)c(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(OC)c1 ZINC000237336886 854008622 /nfs/dbraw/zinc/00/86/22/854008622.db2.gz VZEQYGYPPQXNRX-OAHLLOKOSA-N 1 0 422.472 4.072 20 10 HICDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3ccc4c(c3)CCO4)c2)cc1 ZINC000237503864 854046426 /nfs/dbraw/zinc/04/64/26/854046426.db2.gz OVNXARSHQPZXCF-UHFFFAOYSA-N 1 0 418.493 4.051 20 10 HICDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237828275 854104359 /nfs/dbraw/zinc/10/43/59/854104359.db2.gz VJBNPGRWXIXLNT-HWKANZROSA-N 1 0 421.419 4.253 20 10 HICDRO CCC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1ccccc1O ZINC000303094022 854757237 /nfs/dbraw/zinc/75/72/37/854757237.db2.gz FAXBWXNFORJKDT-OAHLLOKOSA-N 1 0 405.336 4.244 20 10 HICDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccccc1O ZINC000303147084 854784572 /nfs/dbraw/zinc/78/45/72/854784572.db2.gz SBRFEZNIKQEOIK-UHFFFAOYSA-N 1 0 420.513 4.174 20 10 HICDRO CCN(C1CC[NH+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1)S(C)(=O)=O ZINC000303398974 854907741 /nfs/dbraw/zinc/90/77/41/854907741.db2.gz ZPPPBJREQXBMND-UHFFFAOYSA-N 1 0 424.651 4.233 20 10 HICDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[C@@H](C)C1 ZINC000303710735 855145552 /nfs/dbraw/zinc/14/55/52/855145552.db2.gz PTJVXEDASCDLDC-CVDCTZTESA-N 1 0 411.590 4.269 20 10 HICDRO CC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1c(C)nn(C)c1C ZINC000435823952 861088071 /nfs/dbraw/zinc/08/80/71/861088071.db2.gz BUUMNDRDFRZBQD-NRFANRHFSA-N 1 0 421.589 4.026 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000467862111 881715240 /nfs/dbraw/zinc/71/52/40/881715240.db2.gz GHNPZNOLFGEQLG-INIZCTEOSA-N 1 0 407.480 4.209 20 10 HICDRO Cc1cc([C@H]2CCCN2C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)on1 ZINC000444033499 868567008 /nfs/dbraw/zinc/56/70/08/868567008.db2.gz SCXCDJFZLSPNGD-JOCHJYFZSA-N 1 0 406.530 4.068 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H](C)c2cccc(O)c2)C1 ZINC000444296297 868726357 /nfs/dbraw/zinc/72/63/57/868726357.db2.gz QBEAFJIRYBCLHY-SFHVURJKSA-N 1 0 405.542 4.333 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2-c2cn[nH]c2)C1 ZINC000444367292 868793696 /nfs/dbraw/zinc/79/36/96/868793696.db2.gz SWCXAIXDBFGPJQ-UHFFFAOYSA-N 1 0 413.525 4.437 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)ccc21 ZINC000482820586 898430079 /nfs/dbraw/zinc/43/00/79/898430079.db2.gz USRMSYGYGJEVHT-UHFFFAOYSA-N 1 0 409.530 4.097 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccc21 ZINC000484797007 900202266 /nfs/dbraw/zinc/20/22/66/900202266.db2.gz XGFOFTOQFRHGDH-UHFFFAOYSA-N 1 0 419.569 4.430 20 10 HICDRO CCCc1nc(-c2noc(Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)co1 ZINC000573827584 948304708 /nfs/dbraw/zinc/30/47/08/948304708.db2.gz OQQIHZRHDWTGKE-UHFFFAOYSA-N 1 0 405.502 4.447 20 10 HICDRO CC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1c(C)noc1C ZINC000436022114 861314550 /nfs/dbraw/zinc/31/45/50/861314550.db2.gz ALWCBNMKOHIULF-FQEVSTJZSA-N 1 0 408.546 4.280 20 10 HICDRO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000011193288 845764774 /nfs/dbraw/zinc/76/47/74/845764774.db2.gz DBQGLBISJVDEOT-IBGZPJMESA-N 1 0 409.574 4.280 20 10 HICDRO CC(C)(C)c1cc(O)c(O)c(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000027539004 847317347 /nfs/dbraw/zinc/31/73/47/847317347.db2.gz DFSNNEAPYCGBRO-UHFFFAOYSA-N 1 0 408.542 4.452 20 10 HICDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(CC)(CC)c1ccc(Cl)cc1)cc2=O ZINC000110332539 853088225 /nfs/dbraw/zinc/08/82/25/853088225.db2.gz VPEBBIDFAWLUMK-UHFFFAOYSA-N 1 0 416.909 4.070 20 10 HICDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c(C)n1-c1ccc(Br)cc1 ZINC000111104138 853202119 /nfs/dbraw/zinc/20/21/19/853202119.db2.gz XELUSCVNZHWEOL-GOSISDBHSA-N 1 0 404.352 4.023 20 10 HICDRO c1cc(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2)cc2c1OCC2 ZINC000143094165 853507086 /nfs/dbraw/zinc/50/70/86/853507086.db2.gz STJMPLBKOSKMIW-UHFFFAOYSA-N 1 0 400.522 4.415 20 10 HICDRO COc1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000216157924 853846111 /nfs/dbraw/zinc/84/61/11/853846111.db2.gz CQVDCCOAVLEAFA-UHFFFAOYSA-N 1 0 410.558 4.227 20 10 HICDRO Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(C)n1-c1cccc(C)c1 ZINC000216689271 853857961 /nfs/dbraw/zinc/85/79/61/853857961.db2.gz UVZUXIOBYUXXDL-UHFFFAOYSA-N 1 0 403.526 4.487 20 10 HICDRO Cc1cc(C(=O)N(C)C2CC[NH+](C)CC2)c(C)n1-c1ccc(Br)cc1 ZINC000217931806 853862099 /nfs/dbraw/zinc/86/20/99/853862099.db2.gz JDNMEXKZSDQRBH-UHFFFAOYSA-N 1 0 404.352 4.023 20 10 HICDRO CC1CCN(c2ccc(C[NH2+]Cc3ccccc3OCC(=O)NCC3CC3)cc2)CC1 ZINC000236735217 853917173 /nfs/dbraw/zinc/91/71/73/853917173.db2.gz SNDOUPZZYGUGPQ-UHFFFAOYSA-N 1 0 421.585 4.118 20 10 HICDRO CCN(CC)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000236964002 853943279 /nfs/dbraw/zinc/94/32/79/853943279.db2.gz CXJKQUHSJSEFRG-UHFFFAOYSA-N 1 0 411.481 4.270 20 10 HICDRO CN1CCC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237178008 853976876 /nfs/dbraw/zinc/97/68/76/853976876.db2.gz ITCHSJIUKLMMSV-BTYIYWSLSA-N 1 0 422.447 4.312 20 10 HICDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(OC)c1OC ZINC000237369130 854017027 /nfs/dbraw/zinc/01/70/27/854017027.db2.gz QIPRPIJZRBGQJA-INIZCTEOSA-N 1 0 422.472 4.072 20 10 HICDRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 ZINC000237678047 854074288 /nfs/dbraw/zinc/07/42/88/854074288.db2.gz PKZPPNDQPAWKLV-UHFFFAOYSA-N 1 0 420.435 4.123 20 10 HICDRO CN(CC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1)C(=O)OC(C)(C)C ZINC000303205694 854816000 /nfs/dbraw/zinc/81/60/00/854816000.db2.gz NASKWENQWTVOTK-UHFFFAOYSA-N 1 0 406.567 4.474 20 10 HICDRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000303358162 854891163 /nfs/dbraw/zinc/89/11/63/854891163.db2.gz INODTFACLPKQPO-GOSISDBHSA-N 1 0 418.921 4.064 20 10 HICDRO Oc1ccccc1C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@H]1CCCO1 ZINC000303815617 855218320 /nfs/dbraw/zinc/21/83/20/855218320.db2.gz JCYHICXWNYASEZ-LJQANCHMSA-N 1 0 413.905 4.319 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000435556837 860876186 /nfs/dbraw/zinc/87/61/86/860876186.db2.gz GBFKMRYCMCJIAF-UHFFFAOYSA-N 1 0 413.525 4.232 20 10 HICDRO CCSc1nnc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)s1 ZINC000435644128 860930034 /nfs/dbraw/zinc/93/00/34/860930034.db2.gz IBXKFDMMCZCLHU-UHFFFAOYSA-N 1 0 415.588 4.010 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cc(Cl)cn2C)C1 ZINC000435829219 861094069 /nfs/dbraw/zinc/09/40/69/861094069.db2.gz VTGRGUJUBYBPIY-UHFFFAOYSA-N 1 0 412.965 4.058 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)C1 ZINC000435862662 861122859 /nfs/dbraw/zinc/12/28/59/861122859.db2.gz PENGDBWYWOSYPD-DEOSSOPVSA-N 1 0 421.589 4.045 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2c2cccn2C)C1 ZINC000443918956 868455249 /nfs/dbraw/zinc/45/52/49/868455249.db2.gz WWHHIWAWCLGXGS-XMMPIXPASA-N 1 0 404.558 4.110 20 10 HICDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CC(=O)c2cccs2)C1 ZINC000444342483 868772662 /nfs/dbraw/zinc/77/26/62/868772662.db2.gz XHFIBDBJGWIRDG-KRWDZBQOSA-N 1 0 423.582 4.247 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)C1 ZINC000470632453 885057460 /nfs/dbraw/zinc/05/74/60/885057460.db2.gz BPNYZONVBZNQKH-CRAIPNDOSA-N 1 0 407.480 4.207 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000471870786 886648369 /nfs/dbraw/zinc/64/83/69/886648369.db2.gz KIYJTVUQTYOQTB-FRIKZZABSA-N 1 0 416.569 4.482 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000472071879 886876557 /nfs/dbraw/zinc/87/65/57/886876557.db2.gz BTPYXEXSQLNESC-NQIIRXRSSA-N 1 0 404.558 4.339 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000472219058 887020933 /nfs/dbraw/zinc/02/09/33/887020933.db2.gz FCNQNJUDSLIEEI-NRFANRHFSA-N 1 0 419.573 4.078 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(F)cc(F)c2F)C1 ZINC000554059573 942027300 /nfs/dbraw/zinc/02/73/00/942027300.db2.gz NJXWHBKAMRWIFJ-UHFFFAOYSA-N 1 0 401.432 4.464 20 10 HICDRO COc1cc(-c2noc(Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)cc(C)n1 ZINC000565565239 945849696 /nfs/dbraw/zinc/84/96/96/945849696.db2.gz MDTPLETYCSWRRY-UHFFFAOYSA-N 1 0 417.513 4.218 20 10 HICDRO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000015571930 846065151 /nfs/dbraw/zinc/06/51/51/846065151.db2.gz WKKDVQJXFZJUGK-YKSBVNFPSA-N 1 0 409.574 4.001 20 10 HICDRO C[C@@H](c1nc2ccccc2s1)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000021995826 846518575 /nfs/dbraw/zinc/51/85/75/846518575.db2.gz IMKJXOSXQCWOMG-INIZCTEOSA-N 1 0 404.539 4.429 20 10 HICDRO COc1ccc(-c2nc(CN3CC[NH+](Cc4cc(C)c(C)cc4O)CC3)cs2)cc1 ZINC000025150460 846933585 /nfs/dbraw/zinc/93/35/85/846933585.db2.gz BFKMANFCOHUDKZ-UHFFFAOYSA-N 1 0 423.582 4.459 20 10 HICDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1Br ZINC000056478976 850377891 /nfs/dbraw/zinc/37/78/91/850377891.db2.gz QAASBYZMYBHUBX-UHFFFAOYSA-N 1 0 414.347 4.233 20 10 HICDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064251363 851857561 /nfs/dbraw/zinc/85/75/61/851857561.db2.gz NUPZSMUBKAXCIF-UHFFFAOYSA-N 1 0 414.619 4.258 20 10 HICDRO COc1ccc2ccc(O)c(C[NH+]3CCC(N(C)C(=O)OC(C)(C)C)CC3)c2c1 ZINC000112566042 853232395 /nfs/dbraw/zinc/23/23/95/853232395.db2.gz QTRGXACSBWNQCF-UHFFFAOYSA-N 1 0 400.519 4.385 20 10 HICDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000216486983 853854272 /nfs/dbraw/zinc/85/42/72/853854272.db2.gz WLKMVIXHVXJPIK-SFHVURJKSA-N 1 0 418.493 4.001 20 10 HICDRO CCOc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1OC ZINC000236867055 853931294 /nfs/dbraw/zinc/93/12/94/853931294.db2.gz DTLCGTBLBMLPRP-UHFFFAOYSA-N 1 0 424.463 4.239 20 10 HICDRO CCOc1ccc(O)c(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000237092397 853963252 /nfs/dbraw/zinc/96/32/52/853963252.db2.gz DZGKZVQJEPTZNT-HSZRJFAPSA-N 1 0 411.523 4.074 20 10 HICDRO Cc1cn2c(C[NH2+][C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c(C)nc2s1 ZINC000237925809 854119925 /nfs/dbraw/zinc/11/99/25/854119925.db2.gz ACWDSWGORWXARG-HNNXBMFYSA-N 1 0 406.502 4.373 20 10 HICDRO COc1cc(N2CCN(c3c(C)c(C)[nH+]c4ccccc43)CC2)cc(OC)c1OC ZINC000302174914 854542682 /nfs/dbraw/zinc/54/26/82/854542682.db2.gz WNZFXHWCBWLBDU-UHFFFAOYSA-N 1 0 407.514 4.204 20 10 HICDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1ccco1 ZINC000303130795 854775650 /nfs/dbraw/zinc/77/56/50/854775650.db2.gz BFCXOHFJSBYRGH-JOCHJYFZSA-N 1 0 411.546 4.310 20 10 HICDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1OCC1CC1 ZINC000303147097 854784531 /nfs/dbraw/zinc/78/45/31/854784531.db2.gz SCMFXEJCFBIBPC-UHFFFAOYSA-N 1 0 405.542 4.260 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccc(C)o3)[NH+]3CCCC3)ccc21 ZINC000303211185 854818631 /nfs/dbraw/zinc/81/86/31/854818631.db2.gz RLTJLVQJBYQIND-HSZRJFAPSA-N 1 0 423.557 4.373 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3Cl)cc2F)CC1 ZINC000303283607 854850883 /nfs/dbraw/zinc/85/08/83/854850883.db2.gz JHPLVWWQYWRJFN-UHFFFAOYSA-N 1 0 410.320 4.204 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)c3cccc(C)c3C)cc2F)CC1 ZINC000303680459 855128979 /nfs/dbraw/zinc/12/89/79/855128979.db2.gz KCNAUATWJZAYJW-IBGZPJMESA-N 1 0 412.553 4.145 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOc3c(F)cccc32)C1 ZINC000435515717 860834063 /nfs/dbraw/zinc/83/40/63/860834063.db2.gz IJKIYBWDIJPILW-NRFANRHFSA-N 1 0 421.516 4.187 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000435642760 860931204 /nfs/dbraw/zinc/93/12/04/860931204.db2.gz XTIVMVSXQZYFOC-UHFFFAOYSA-N 1 0 413.525 4.232 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nnc(-c3ccco3)s2)C1 ZINC000435662572 860942256 /nfs/dbraw/zinc/94/22/56/860942256.db2.gz KUEHIHXHPYIBHX-UHFFFAOYSA-N 1 0 421.526 4.158 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C1 ZINC000435905915 861165340 /nfs/dbraw/zinc/16/53/40/861165340.db2.gz CZHXGEUQGIXEEO-XXAUWVGASA-N 1 0 413.565 4.110 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000435915434 861175699 /nfs/dbraw/zinc/17/56/99/861175699.db2.gz QUOFQGWRRWHGHO-FQEVSTJZSA-N 1 0 423.601 4.406 20 10 HICDRO CCOCCC1(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CCC1 ZINC000435922802 861181657 /nfs/dbraw/zinc/18/16/57/861181657.db2.gz QAVKWFZZQKRDCY-UHFFFAOYSA-N 1 0 411.590 4.121 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-c3cc[nH]n3)c2)C1 ZINC000443946206 868482668 /nfs/dbraw/zinc/48/26/68/868482668.db2.gz ICQNBYABBMUSOQ-UHFFFAOYSA-N 1 0 413.525 4.437 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cnc3ccccc3c2)C1 ZINC000443994532 868516053 /nfs/dbraw/zinc/51/60/53/868516053.db2.gz DPGZMTGRBYXNRY-UHFFFAOYSA-N 1 0 412.537 4.272 20 10 HICDRO Cc1c2ccc(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)cc2nn1C ZINC000485449803 900744434 /nfs/dbraw/zinc/74/44/34/900744434.db2.gz KCNCDIMMILHUEE-UHFFFAOYSA-N 1 0 415.541 4.242 20 10 HICDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000490400275 903984329 /nfs/dbraw/zinc/98/43/29/903984329.db2.gz NDTIWOICLMRJNW-UHFFFAOYSA-N 1 0 413.606 4.489 20 10 HICDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1ccco1 ZINC000517255342 924063166 /nfs/dbraw/zinc/06/31/66/924063166.db2.gz FRZIAPVASKDCON-IERDGZPVSA-N 1 0 411.546 4.357 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(COc3ccccc3)no2)C1 ZINC000576025842 948813028 /nfs/dbraw/zinc/81/30/28/948813028.db2.gz WVBMWZRDFARNSP-UHFFFAOYSA-N 1 0 402.498 4.418 20 10 HICDRO O=C1CCCN1C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(C(F)(F)F)c1 ZINC000054175242 849821374 /nfs/dbraw/zinc/82/13/74/849821374.db2.gz DVRFPMFCMXTEEO-IBGZPJMESA-N 1 0 404.432 4.094 20 10 HICDRO CN(C)c1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1F ZINC000058474803 850834727 /nfs/dbraw/zinc/83/47/27/850834727.db2.gz MBKOQTUGVOIKRH-UHFFFAOYSA-N 1 0 415.516 4.488 20 10 HICDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)n1-c1ccc(Br)cc1 ZINC000110520224 853113146 /nfs/dbraw/zinc/11/31/46/853113146.db2.gz WTDRSPRQZFPJHJ-IBGZPJMESA-N 1 0 416.363 4.167 20 10 HICDRO COc1ccc(N2CCC[N@H+](Cc3ccc(OCc4ccncc4)cc3)CC2)cc1 ZINC000143433824 853515135 /nfs/dbraw/zinc/51/51/35/853515135.db2.gz FYOJVADIIVSHJG-UHFFFAOYSA-N 1 0 403.526 4.382 20 10 HICDRO CCOc1ccc(O)c(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000236974938 853945267 /nfs/dbraw/zinc/94/52/67/853945267.db2.gz KYZAQWPKRFGRLB-UHFFFAOYSA-N 1 0 400.482 4.328 20 10 HICDRO CN(C)c1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000237131628 853969838 /nfs/dbraw/zinc/96/98/38/853969838.db2.gz OXXJQCHCRHUEDU-FQEVSTJZSA-N 1 0 405.464 4.225 20 10 HICDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237183055 853977993 /nfs/dbraw/zinc/97/79/93/853977993.db2.gz QSXQOGJTOORFBD-QGZVFWFLSA-N 1 0 404.551 4.189 20 10 HICDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3cc(C)ccc3O)c2)cc1 ZINC000237475659 854040831 /nfs/dbraw/zinc/04/08/31/854040831.db2.gz VXDBEFMBGXOFKZ-UHFFFAOYSA-N 1 0 406.482 4.130 20 10 HICDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000302902123 854673325 /nfs/dbraw/zinc/67/33/25/854673325.db2.gz SEUWKDBNENKCDE-JOCHJYFZSA-N 1 0 410.562 4.248 20 10 HICDRO Cc1cc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)n1-c1ccccn1 ZINC000303668637 855120313 /nfs/dbraw/zinc/12/03/13/855120313.db2.gz ONZVKZXSQALFLK-LJQANCHMSA-N 1 0 402.542 4.445 20 10 HICDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1cc(Br)ccc1O ZINC000381411560 855430525 /nfs/dbraw/zinc/43/05/25/855430525.db2.gz XZIOPTKZMMJERN-HUBLWGQQSA-N 1 0 401.345 4.497 20 10 HICDRO COCCOc1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000435555360 860874201 /nfs/dbraw/zinc/87/42/01/860874201.db2.gz FMGYJSHBUWRBNF-UHFFFAOYSA-N 1 0 421.541 4.072 20 10 HICDRO CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1c(C)nn(C)c1C ZINC000435823953 861088654 /nfs/dbraw/zinc/08/86/54/861088654.db2.gz BUUMNDRDFRZBQD-OAQYLSRUSA-N 1 0 421.589 4.026 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000435875627 861134788 /nfs/dbraw/zinc/13/47/88/861134788.db2.gz DMLKXVVJYKFWJR-IBGZPJMESA-N 1 0 417.553 4.090 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccn(C3CCCC3)n2)C1 ZINC000435905462 861166246 /nfs/dbraw/zinc/16/62/46/861166246.db2.gz FTDCMDQTCNQRAS-UHFFFAOYSA-N 1 0 419.573 4.036 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)C1 ZINC000435913419 861176137 /nfs/dbraw/zinc/17/61/37/861176137.db2.gz AUPAVEYBEPSCRY-AVRDEDQJSA-N 1 0 417.553 4.089 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2nccc3ccccc32)C1 ZINC000443909638 868445305 /nfs/dbraw/zinc/44/53/05/868445305.db2.gz RLAPTGDUENXDBK-UHFFFAOYSA-N 1 0 412.537 4.272 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnn([C@@H](C)C3CC3)c2)C1 ZINC000435993308 861274050 /nfs/dbraw/zinc/27/40/50/861274050.db2.gz GBSZFXUSIJGBHD-KRWDZBQOSA-N 1 0 405.546 4.214 20 10 HICDRO CC(C)n1nc2c(c1NC(=O)Cn1c3ccccc3c3c1CC[N@H+](C(C)C)C3)CCC2 ZINC000436010346 861300888 /nfs/dbraw/zinc/30/08/88/861300888.db2.gz XRRGABJTABNBSA-UHFFFAOYSA-N 1 0 419.573 4.313 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](c2cccnc2)C2CC2)C1 ZINC000436022756 861316221 /nfs/dbraw/zinc/31/62/21/861316221.db2.gz MYEDULSPHOTWLO-VWLOTQADSA-N 1 0 402.542 4.070 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(C3CCCC3)nn2C)C1 ZINC000436029236 861322155 /nfs/dbraw/zinc/32/21/55/861322155.db2.gz XFFFHCIVERJWMY-UHFFFAOYSA-N 1 0 419.573 4.438 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000436033964 861327268 /nfs/dbraw/zinc/32/72/68/861327268.db2.gz BYGUHQMXSGPTLQ-UHFFFAOYSA-N 1 0 420.561 4.143 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000436044614 861334273 /nfs/dbraw/zinc/33/42/73/861334273.db2.gz MWYWSMZVTIOSCU-JPYJTQIMSA-N 1 0 411.590 4.118 20 10 HICDRO CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000015571929 846065126 /nfs/dbraw/zinc/06/51/26/846065126.db2.gz WKKDVQJXFZJUGK-HYBUGGRVSA-N 1 0 409.574 4.001 20 10 HICDRO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387227 846163350 /nfs/dbraw/zinc/16/33/50/846163350.db2.gz DBISGSKONFHHMP-INIZCTEOSA-N 1 0 421.463 4.001 20 10 HICDRO COc1ccccc1CCNC(=O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000216485750 853854308 /nfs/dbraw/zinc/85/43/08/853854308.db2.gz OMCBNVJTRAPQDU-HXUWFJFHSA-N 1 0 418.537 4.323 20 10 HICDRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000217139010 853860300 /nfs/dbraw/zinc/86/03/00/853860300.db2.gz JPBDGRFZNUBGOW-NQIIRXRSSA-N 1 0 422.525 4.339 20 10 HICDRO COc1cccc([C@@H](CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[NH+](C)C)c1 ZINC000302888481 854667364 /nfs/dbraw/zinc/66/73/64/854667364.db2.gz AAEBSQLBJUDFCU-XMMPIXPASA-N 1 0 424.589 4.130 20 10 HICDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1ccco1 ZINC000303130796 854775467 /nfs/dbraw/zinc/77/54/67/854775467.db2.gz BFCXOHFJSBYRGH-QFIPXVFZSA-N 1 0 411.546 4.310 20 10 HICDRO COCCOc1ccccc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435513438 860831581 /nfs/dbraw/zinc/83/15/81/860831581.db2.gz DFFOUYXHEMREAQ-UHFFFAOYSA-N 1 0 421.541 4.072 20 10 HICDRO CC(=O)Nc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1 ZINC000435646110 860932031 /nfs/dbraw/zinc/93/20/31/860932031.db2.gz NGPOSHXGDOVSQH-UHFFFAOYSA-N 1 0 404.514 4.005 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CCC3(CCOCC3)CC2)C1 ZINC000435815321 861079841 /nfs/dbraw/zinc/07/98/41/861079841.db2.gz CGCXRSRWXVHJAT-UHFFFAOYSA-N 1 0 423.601 4.263 20 10 HICDRO CC(C)N(Cc1cccnc1)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444032295 868565189 /nfs/dbraw/zinc/56/51/89/868565189.db2.gz PAYJDRWSTXUAMT-UHFFFAOYSA-N 1 0 404.558 4.240 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](c3cccs3)C2)C1 ZINC000444273445 868709627 /nfs/dbraw/zinc/70/96/27/868709627.db2.gz PEMYCKMWZQQSIL-JOCHJYFZSA-N 1 0 423.582 4.069 20 10 HICDRO CSc1cc(O)ccc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444401300 868812478 /nfs/dbraw/zinc/81/24/78/868812478.db2.gz BKTKFVXAAXVUPZ-UHFFFAOYSA-N 1 0 409.555 4.474 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000471587549 886298098 /nfs/dbraw/zinc/29/80/98/886298098.db2.gz JIHWHWSMLVHUMY-UHFFFAOYSA-N 1 0 404.558 4.259 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472221098 887024601 /nfs/dbraw/zinc/02/46/01/887024601.db2.gz ICTYVUUFJGPODT-OAQYLSRUSA-N 1 0 404.558 4.150 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472221091 887024953 /nfs/dbraw/zinc/02/49/53/887024953.db2.gz ICTYVUUFJGPODT-NRFANRHFSA-N 1 0 404.558 4.150 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000473547428 888285547 /nfs/dbraw/zinc/28/55/47/888285547.db2.gz DWVAOHJKUOYNPX-UHFFFAOYSA-N 1 0 411.590 4.431 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)C1 ZINC000476709401 891671190 /nfs/dbraw/zinc/67/11/90/891671190.db2.gz OOUDXVBXTIFMCO-VWLOTQADSA-N 1 0 416.569 4.413 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)ccc21 ZINC000481933860 897317888 /nfs/dbraw/zinc/31/78/88/897317888.db2.gz VQZJJYUFEAXNRB-JOCHJYFZSA-N 1 0 409.530 4.064 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccc21 ZINC000510790369 919257160 /nfs/dbraw/zinc/25/71/60/919257160.db2.gz AJVWMZSJVSICEW-WIYYLYMNSA-N 1 0 411.590 4.287 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@H]2c2cccnc2)C1 ZINC000557378215 943093452 /nfs/dbraw/zinc/09/34/52/943093452.db2.gz WYSMSPXKCIHWTQ-RUZDIDTESA-N 1 0 416.569 4.413 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3c(F)cccc3C2)C1 ZINC000436032267 861325604 /nfs/dbraw/zinc/32/56/04/861325604.db2.gz ZATHNCHNAPEXIS-UHFFFAOYSA-N 1 0 405.517 4.132 20 10 HICDRO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387225 846163552 /nfs/dbraw/zinc/16/35/52/846163552.db2.gz DBISGSKONFHHMP-MRXNPFEDSA-N 1 0 421.463 4.001 20 10 HICDRO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000048745761 849263024 /nfs/dbraw/zinc/26/30/24/849263024.db2.gz WPTWHCZDXOBLON-UHFFFAOYSA-N 1 0 419.525 4.399 20 10 HICDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H](c3cccc(OC)c3)[NH+](C)C)c2C)cc1 ZINC000105165841 852693002 /nfs/dbraw/zinc/69/30/02/852693002.db2.gz VBEZBHKOLJOGID-XMMPIXPASA-N 1 0 421.541 4.144 20 10 HICDRO CCOc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1OCC(F)(F)F ZINC000236866967 853931385 /nfs/dbraw/zinc/93/13/85/853931385.db2.gz BERLTLADSUULCI-UHFFFAOYSA-N 1 0 424.463 4.153 20 10 HICDRO CCOc1cccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)c1OC(F)F ZINC000236892968 853933096 /nfs/dbraw/zinc/93/30/96/853933096.db2.gz LHRLXTNSQZWIPQ-UHFFFAOYSA-N 1 0 406.473 4.454 20 10 HICDRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237074969 853961044 /nfs/dbraw/zinc/96/10/44/853961044.db2.gz YMEAQWXJVKLHOC-MRXNPFEDSA-N 1 0 422.472 4.072 20 10 HICDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1 ZINC000237082291 853962200 /nfs/dbraw/zinc/96/22/00/853962200.db2.gz KUXKDPBHNAAFMP-UHFFFAOYSA-N 1 0 404.510 4.319 20 10 HICDRO COc1ccc(N2CCC([NH2+]Cc3ccc(OCC(F)(F)F)c(OC)c3)CC2)cc1 ZINC000237262047 853993469 /nfs/dbraw/zinc/99/34/69/853993469.db2.gz IHXJOQDFCWUQEG-UHFFFAOYSA-N 1 0 424.463 4.404 20 10 HICDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)s2)cc1 ZINC000238002123 854131894 /nfs/dbraw/zinc/13/18/94/854131894.db2.gz UMIAPOKNZYTNBK-UHFFFAOYSA-N 1 0 409.511 4.450 20 10 HICDRO Oc1cc2c(cc1C[NH2+]C[C@H](c1ccccc1)N1CCc3sccc3C1)OCO2 ZINC000238129558 854145557 /nfs/dbraw/zinc/14/55/57/854145557.db2.gz YOMHSTRDYKCQMC-LJQANCHMSA-N 1 0 408.523 4.072 20 10 HICDRO Oc1cc2c(cc1C[NH2+]Cc1cn(-c3ccccc3)nc1-c1ccc(F)cc1)OCO2 ZINC000238135205 854146388 /nfs/dbraw/zinc/14/63/88/854146388.db2.gz YZEFJIGHQHTMPE-UHFFFAOYSA-N 1 0 417.440 4.403 20 10 HICDRO CCC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1ccccc1O ZINC000303094021 854757339 /nfs/dbraw/zinc/75/73/39/854757339.db2.gz FAXBWXNFORJKDT-HNNXBMFYSA-N 1 0 405.336 4.244 20 10 HICDRO Cc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000303196728 854812305 /nfs/dbraw/zinc/81/23/05/854812305.db2.gz NGTJPKWJHMOONS-QHCPKHFHSA-N 1 0 404.489 4.138 20 10 HICDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[C@@H](C)C1 ZINC000303740004 855164626 /nfs/dbraw/zinc/16/46/26/855164626.db2.gz YECVEGNFUYBREP-CYFREDJKSA-N 1 0 411.590 4.269 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ncc(C(C)(C)C)o2)C1 ZINC000444289816 868719927 /nfs/dbraw/zinc/71/99/27/868719927.db2.gz NTMMLFXBLAJHOB-UHFFFAOYSA-N 1 0 408.546 4.010 20 10 HICDRO CCOc1cc(O)ccc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444413113 868816601 /nfs/dbraw/zinc/81/66/01/868816601.db2.gz SSKNESJRSBXIFU-UHFFFAOYSA-N 1 0 407.514 4.151 20 10 HICDRO Cc1c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cccc1N(C)C ZINC000436035043 861326694 /nfs/dbraw/zinc/32/66/94/861326694.db2.gz ULKVJVOTAUOFFJ-UHFFFAOYSA-N 1 0 404.558 4.421 20 10 HICDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1C(C)C ZINC000008185839 845488349 /nfs/dbraw/zinc/48/83/49/845488349.db2.gz PQEQJYXBOQGTAU-UHFFFAOYSA-N 1 0 410.514 4.403 20 10 HICDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000071968643 852450067 /nfs/dbraw/zinc/45/00/67/852450067.db2.gz LXTPARJPKDMPQG-UHFFFAOYSA-N 1 0 418.585 4.380 20 10 HICDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c(C)n1-c1cccc(Br)c1 ZINC000111137251 853207438 /nfs/dbraw/zinc/20/74/38/853207438.db2.gz FESKIGFALFWEHU-GOSISDBHSA-N 1 0 404.352 4.023 20 10 HICDRO Cc1ccc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237133352 853969340 /nfs/dbraw/zinc/96/93/40/853969340.db2.gz STJDOXNOSJWKJR-XMMPIXPASA-N 1 0 408.567 4.344 20 10 HICDRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc(N2CCOCC2)cc1 ZINC000237460926 854037144 /nfs/dbraw/zinc/03/71/44/854037144.db2.gz LGCQVOJMDKUYJL-HXUWFJFHSA-N 1 0 403.526 4.348 20 10 HICDRO COc1ccc(N2CCC([NH2+]Cc3cccc(OCc4ccccn4)c3)CC2)cc1 ZINC000237575688 854057043 /nfs/dbraw/zinc/05/70/43/854057043.db2.gz RHCODOFMYNBISY-UHFFFAOYSA-N 1 0 403.526 4.428 20 10 HICDRO COc1ccc(N2CCC([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 ZINC000237576237 854057558 /nfs/dbraw/zinc/05/75/58/854057558.db2.gz VAIXXARPARJTDG-UHFFFAOYSA-N 1 0 424.526 4.486 20 10 HICDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)cc2)C[C@H](C)O1 ZINC000237763124 854091947 /nfs/dbraw/zinc/09/19/47/854091947.db2.gz RQVKYJFRADWZEV-SFTDATJTSA-N 1 0 421.585 4.216 20 10 HICDRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cc4c(cc3O)OCO4)c(C(F)(F)F)c2)n1 ZINC000237792364 854098394 /nfs/dbraw/zinc/09/83/94/854098394.db2.gz FAADCODRCLGMIQ-UHFFFAOYSA-N 1 0 419.403 4.232 20 10 HICDRO CC(C)(C)OC(=O)N1CCC(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000303326980 854873752 /nfs/dbraw/zinc/87/37/52/854873752.db2.gz BWMMNYWLEHADFB-FQEVSTJZSA-N 1 0 404.551 4.020 20 10 HICDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)c(OC)c1)c1cc(Br)ccc1O ZINC000327043502 855415257 /nfs/dbraw/zinc/41/52/57/855415257.db2.gz VRHNLPHCCDWNRW-HNNXBMFYSA-N 1 0 410.308 4.421 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000435911792 861174186 /nfs/dbraw/zinc/17/41/86/861174186.db2.gz PMRCTHYDMYXRKQ-LJQANCHMSA-N 1 0 409.574 4.016 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000443913443 868448969 /nfs/dbraw/zinc/44/89/69/868448969.db2.gz AMPLMWAMPKIQEZ-UHFFFAOYSA-N 1 0 417.557 4.042 20 10 HICDRO CCc1cnccc1[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444262298 868704119 /nfs/dbraw/zinc/70/41/19/868704119.db2.gz AHPOMKBYGUONGM-SFHVURJKSA-N 1 0 404.558 4.243 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)C1 ZINC000444338616 868766512 /nfs/dbraw/zinc/76/65/12/868766512.db2.gz QUUPREMICSMMPS-IBGZPJMESA-N 1 0 419.569 4.203 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000472219059 887020236 /nfs/dbraw/zinc/02/02/36/887020236.db2.gz FCNQNJUDSLIEEI-OAQYLSRUSA-N 1 0 419.573 4.078 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)ccc21 ZINC000481933863 897317554 /nfs/dbraw/zinc/31/75/54/897317554.db2.gz VQZJJYUFEAXNRB-QFIPXVFZSA-N 1 0 409.530 4.064 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)ccc21 ZINC000483467214 899109018 /nfs/dbraw/zinc/10/90/18/899109018.db2.gz HRBRIQQOISDTGG-NZQKXSOJSA-N 1 0 419.569 4.470 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)ccc21 ZINC000486702172 901802689 /nfs/dbraw/zinc/80/26/89/901802689.db2.gz RKMSDLWSOISUBG-DEOSSOPVSA-N 1 0 407.558 4.246 20 10 HICDRO CCc1ccnc(-c2noc(Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)c1 ZINC000572443313 947908045 /nfs/dbraw/zinc/90/80/45/947908045.db2.gz CJUDXYVGRHGZSA-UHFFFAOYSA-N 1 0 401.514 4.464 20 10 HICDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1OCc1cccnc1 ZINC000058477014 850834651 /nfs/dbraw/zinc/83/46/51/850834651.db2.gz KLNRSXQKXRUZPR-UHFFFAOYSA-N 1 0 403.526 4.341 20 10 HICDRO CCN(Cc1ccc(N(C)C)cc1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063145403 851622225 /nfs/dbraw/zinc/62/22/25/851622225.db2.gz JTEQEJWIRPPNRD-UHFFFAOYSA-N 1 0 410.631 4.114 20 10 HICDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(C)n1-c1cccc(C)c1 ZINC000108628932 852866328 /nfs/dbraw/zinc/86/63/28/852866328.db2.gz OOERKBOENBETIB-UHFFFAOYSA-N 1 0 402.542 4.192 20 10 HICDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000148907160 853614863 /nfs/dbraw/zinc/61/48/63/853614863.db2.gz VDXIVDHREYEPLK-HXUWFJFHSA-N 1 0 412.603 4.060 20 10 HICDRO COc1ccccc1CCNC(=O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000216485704 853854368 /nfs/dbraw/zinc/85/43/68/853854368.db2.gz OMCBNVJTRAPQDU-FQEVSTJZSA-N 1 0 418.537 4.323 20 10 HICDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000236962310 853943583 /nfs/dbraw/zinc/94/35/83/853943583.db2.gz POQUWVRBCGXTQL-UHFFFAOYSA-N 1 0 421.585 4.470 20 10 HICDRO CCOc1cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)ccc1OC(F)F ZINC000237081846 853961881 /nfs/dbraw/zinc/96/18/81/853961881.db2.gz NHEXVEKRAZVZQS-UHFFFAOYSA-N 1 0 406.473 4.454 20 10 HICDRO CCOc1ccc(O)c(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 ZINC000237091683 853962758 /nfs/dbraw/zinc/96/27/58/853962758.db2.gz YOXGPWWKCKVEFY-LJQANCHMSA-N 1 0 422.447 4.263 20 10 HICDRO CN1CCC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237184857 853977474 /nfs/dbraw/zinc/97/74/74/853977474.db2.gz ITCHSJIUKLMMSV-VFNWGFHPSA-N 1 0 422.447 4.312 20 10 HICDRO COc1c(C)cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C ZINC000237190771 853978455 /nfs/dbraw/zinc/97/84/55/853978455.db2.gz YUDSQTBEFBCYJU-UHFFFAOYSA-N 1 0 408.464 4.457 20 10 HICDRO Cc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302184224 854545026 /nfs/dbraw/zinc/54/50/26/854545026.db2.gz OWLOCOSSRKETBJ-UHFFFAOYSA-N 1 0 406.486 4.272 20 10 HICDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000302890280 854668009 /nfs/dbraw/zinc/66/80/09/854668009.db2.gz CYBBZFXPSGVHGF-FQEVSTJZSA-N 1 0 400.592 4.183 20 10 HICDRO Cc1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000303159544 854792209 /nfs/dbraw/zinc/79/22/09/854792209.db2.gz GULFBPFDSPNAPY-UHFFFAOYSA-N 1 0 412.537 4.144 20 10 HICDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000303375490 854897913 /nfs/dbraw/zinc/89/79/13/854897913.db2.gz UMQUYMWORLKFND-UHFFFAOYSA-N 1 0 424.651 4.233 20 10 HICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000303674327 855124589 /nfs/dbraw/zinc/12/45/89/855124589.db2.gz FDWVGCLLSAMCAK-XMMPIXPASA-N 1 0 407.602 4.304 20 10 HICDRO Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000303767798 855186725 /nfs/dbraw/zinc/18/67/25/855186725.db2.gz MKCAVZIFXQANGS-NRFANRHFSA-N 1 0 423.601 4.448 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000435515718 860833836 /nfs/dbraw/zinc/83/38/36/860833836.db2.gz IJKIYBWDIJPILW-OAQYLSRUSA-N 1 0 421.516 4.187 20 10 HICDRO CC(=O)Nc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)ccc1C ZINC000435549208 860864427 /nfs/dbraw/zinc/86/44/27/860864427.db2.gz TVIMDULWLFCKIX-UHFFFAOYSA-N 1 0 418.541 4.313 20 10 HICDRO CC(=O)Nc1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000435658755 860938884 /nfs/dbraw/zinc/93/88/84/860938884.db2.gz BPKLKCXLAFDUCG-UHFFFAOYSA-N 1 0 404.514 4.005 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOC[C@@H]2c2ccccc2)C1 ZINC000435815783 861080749 /nfs/dbraw/zinc/08/07/49/861080749.db2.gz AOBSHCGZIHLTHH-RUZDIDTESA-N 1 0 417.553 4.008 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3ccc(F)c(F)c3C2)C1 ZINC000435913577 861176104 /nfs/dbraw/zinc/17/61/04/861176104.db2.gz BIUXFZWYZQBCNF-UHFFFAOYSA-N 1 0 423.507 4.271 20 10 HICDRO Cc1cc2n[nH]cc2cc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444365575 868790907 /nfs/dbraw/zinc/79/09/07/868790907.db2.gz BCBMNCXEBZYLPM-UHFFFAOYSA-N 1 0 401.514 4.231 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000471986180 886813012 /nfs/dbraw/zinc/81/30/12/886813012.db2.gz WECSVIAEGZLMBJ-HTAPYJJXSA-N 1 0 410.587 4.431 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000472071881 886876091 /nfs/dbraw/zinc/87/60/91/886876091.db2.gz BTPYXEXSQLNESC-WIYYLYMNSA-N 1 0 404.558 4.339 20 10 HICDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472241792 887051690 /nfs/dbraw/zinc/05/16/90/887051690.db2.gz NVNOCTQIWNVDDT-OAQYLSRUSA-N 1 0 419.573 4.078 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)ccc21 ZINC000486104299 901291559 /nfs/dbraw/zinc/29/15/59/901291559.db2.gz JTCGOFFQJMKPFP-SVMVAKDDSA-N 1 0 411.590 4.382 20 10 HICDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000007219214 845286349 /nfs/dbraw/zinc/28/63/49/845286349.db2.gz MCJNPWMZDFWQIY-IBGZPJMESA-N 1 0 422.598 4.200 20 10 HICDRO COc1cccc([C@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)[NH+]2CCCC2)c1 ZINC000107909442 852807725 /nfs/dbraw/zinc/80/77/25/852807725.db2.gz VLLFBGFSPIMRCE-QHCPKHFHSA-N 1 0 418.541 4.065 20 10 HICDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)n1-c1ccc(Br)cc1 ZINC000110520226 853112745 /nfs/dbraw/zinc/11/27/45/853112745.db2.gz WTDRSPRQZFPJHJ-LJQANCHMSA-N 1 0 416.363 4.167 20 10 HICDRO Cc1cc(C)c(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)c1 ZINC000139818899 853422137 /nfs/dbraw/zinc/42/21/37/853422137.db2.gz OSRCULOBVQQPCX-UHFFFAOYSA-N 1 0 419.548 4.157 20 10 HICDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000195559786 853683828 /nfs/dbraw/zinc/68/38/28/853683828.db2.gz KSHCQFHPTACWKJ-DEOSSOPVSA-N 1 0 424.589 4.178 20 10 HICDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000237088283 853963042 /nfs/dbraw/zinc/96/30/42/853963042.db2.gz DZGKZVQJEPTZNT-QHCPKHFHSA-N 1 0 411.523 4.074 20 10 HICDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237178561 853976118 /nfs/dbraw/zinc/97/61/18/853976118.db2.gz QSXQOGJTOORFBD-KRWDZBQOSA-N 1 0 404.551 4.189 20 10 HICDRO COc1ccc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237270829 853994317 /nfs/dbraw/zinc/99/43/17/853994317.db2.gz FIXHVDGFTXRBQP-XMMPIXPASA-N 1 0 424.566 4.044 20 10 HICDRO COc1cc(OC)c(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(OC)c1 ZINC000237337577 854009297 /nfs/dbraw/zinc/00/92/97/854009297.db2.gz VZEQYGYPPQXNRX-HNNXBMFYSA-N 1 0 422.472 4.072 20 10 HICDRO Fc1cccc(F)c1-c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000237794266 854098825 /nfs/dbraw/zinc/09/88/25/854098825.db2.gz UEWJONZYIPILLZ-UHFFFAOYSA-N 1 0 402.416 4.490 20 10 HICDRO Oc1cc2c(cc1C[NH2+]Cc1ccccc1-c1ccc(Cn3ccnc3)cc1)OCO2 ZINC000238132406 854146094 /nfs/dbraw/zinc/14/60/94/854146094.db2.gz JGCLMWAQTLOIBK-UHFFFAOYSA-N 1 0 413.477 4.323 20 10 HICDRO Oc1cc2c(cc1C[NH2+]Cc1ccccc1-c1ccc(Cn3cccn3)cc1)OCO2 ZINC000238132367 854146249 /nfs/dbraw/zinc/14/62/49/854146249.db2.gz SDCFKBUMUUPWDY-UHFFFAOYSA-N 1 0 413.477 4.323 20 10 HICDRO Oc1cc2c(cc1C[NH2+][C@@H](Cn1cnc3ccccc31)c1ccc(F)cc1)OCO2 ZINC000238136697 854146604 /nfs/dbraw/zinc/14/66/04/854146604.db2.gz NSLDPIIUFJROOE-IBGZPJMESA-N 1 0 405.429 4.141 20 10 HICDRO CC1CCN(c2ccc(CNC(=O)NCCCCC[NH+]3CCCCC3)cc2)CC1 ZINC000303483802 854976764 /nfs/dbraw/zinc/97/67/64/854976764.db2.gz QLQQVZWOHMSMSL-UHFFFAOYSA-N 1 0 400.611 4.378 20 10 HICDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@@H](C)C1 ZINC000303677953 855126440 /nfs/dbraw/zinc/12/64/40/855126440.db2.gz JJKBMEUDDLLHPH-SBUREZEXSA-N 1 0 415.553 4.100 20 10 HICDRO Oc1ccccc1C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@@H]1CCCO1 ZINC000303815616 855217822 /nfs/dbraw/zinc/21/78/22/855217822.db2.gz JCYHICXWNYASEZ-IBGZPJMESA-N 1 0 413.905 4.319 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CC(F)(F)F)C2CCC2)C1 ZINC000435818467 861084358 /nfs/dbraw/zinc/08/43/58/861084358.db2.gz MPUGEYSZCJPFGY-UHFFFAOYSA-N 1 0 407.480 4.351 20 10 HICDRO Cc1cc2c[nH]nc2cc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444127120 868632687 /nfs/dbraw/zinc/63/26/87/868632687.db2.gz NBMYHEIUTKCPKK-UHFFFAOYSA-N 1 0 401.514 4.231 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)C1 ZINC000470632461 885057401 /nfs/dbraw/zinc/05/74/01/885057401.db2.gz BPNYZONVBZNQKH-QAPCUYQASA-N 1 0 407.480 4.207 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000471777006 886507827 /nfs/dbraw/zinc/50/78/27/886507827.db2.gz ZLUOHGCRJMMHFH-UHFFFAOYSA-N 1 0 410.587 4.260 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472115377 886900207 /nfs/dbraw/zinc/90/02/07/886900207.db2.gz NKIKFLRMYSVHKT-CTNGQTDRSA-N 1 0 404.558 4.197 20 10 HICDRO CCOc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)ccc1O[C@H](C)C(=O)N(C)C ZINC000475197596 890067175 /nfs/dbraw/zinc/06/71/75/890067175.db2.gz UFOBCISWGBKCKQ-GOSISDBHSA-N 1 0 423.557 4.031 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)ccc21 ZINC000482575422 898170506 /nfs/dbraw/zinc/17/05/06/898170506.db2.gz BVIFYTVRKPRMQW-UHFFFAOYSA-N 1 0 423.557 4.234 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(c2ccccc2)[C@H]2CCOC2)C1 ZINC000436001191 861288505 /nfs/dbraw/zinc/28/85/05/861288505.db2.gz FYSZTKVRNQKSQT-NRFANRHFSA-N 1 0 417.553 4.230 20 10 HICDRO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000011193289 845764595 /nfs/dbraw/zinc/76/45/95/845764595.db2.gz DBQGLBISJVDEOT-LJQANCHMSA-N 1 0 409.574 4.280 20 10 HICDRO COc1ccc(CNC(=O)C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)cc1 ZINC000216479458 853854031 /nfs/dbraw/zinc/85/40/31/853854031.db2.gz JZEBZSMFKBFGKE-IBGZPJMESA-N 1 0 404.510 4.280 20 10 HICDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000236581548 853899702 /nfs/dbraw/zinc/89/97/02/853899702.db2.gz GKBLWLUVBVTHCS-GOSISDBHSA-N 1 0 423.548 4.274 20 10 HICDRO c1ccc2nc(N3CCCCC3)c(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2c1 ZINC000236615565 853902399 /nfs/dbraw/zinc/90/23/99/853902399.db2.gz JIZIDDUCZYOBFS-UHFFFAOYSA-N 1 0 416.569 4.352 20 10 HICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)cc1 ZINC000236971239 853944121 /nfs/dbraw/zinc/94/41/21/853944121.db2.gz JEGORLZCKZEMAF-UHFFFAOYSA-N 1 0 416.569 4.235 20 10 HICDRO COCCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000237216762 853984761 /nfs/dbraw/zinc/98/47/61/853984761.db2.gz OKVNPXDKJPFICC-GOSISDBHSA-N 1 0 406.473 4.072 20 10 HICDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000237524422 854049696 /nfs/dbraw/zinc/04/96/96/854049696.db2.gz ZYUJUHNBUXQUQO-MRXNPFEDSA-N 1 0 421.463 4.049 20 10 HICDRO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000238042460 854136685 /nfs/dbraw/zinc/13/66/85/854136685.db2.gz YRUVVNJXNGGECV-UHFFFAOYSA-N 1 0 403.526 4.490 20 10 HICDRO Oc1cc2c(cc1C[NH2+]C[C@@H](c1ccccc1)N1CCc3sccc3C1)OCO2 ZINC000238130519 854145191 /nfs/dbraw/zinc/14/51/91/854145191.db2.gz YOMHSTRDYKCQMC-IBGZPJMESA-N 1 0 408.523 4.072 20 10 HICDRO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000238166686 854149677 /nfs/dbraw/zinc/14/96/77/854149677.db2.gz RWPOOPUJKYYYOH-UHFFFAOYSA-N 1 0 417.431 4.086 20 10 HICDRO O=[N+]([O-])c1ccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c2ccncc21 ZINC000301917283 854492249 /nfs/dbraw/zinc/49/22/49/854492249.db2.gz HJSUWTXTWKDJFF-UHFFFAOYSA-N 1 0 417.513 4.287 20 10 HICDRO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c2cccs2)CC1 ZINC000302902270 854672951 /nfs/dbraw/zinc/67/29/51/854672951.db2.gz SZJHOPOCYDZQSI-NRFANRHFSA-N 1 0 414.619 4.429 20 10 HICDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000302904295 854674029 /nfs/dbraw/zinc/67/40/29/854674029.db2.gz WXEZGIPBQAQFFK-UHFFFAOYSA-N 1 0 420.601 4.483 20 10 HICDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3ccc(N(C)C)c(F)c3)cc2)CC1 ZINC000303015446 854723513 /nfs/dbraw/zinc/72/35/13/854723513.db2.gz RZABYRNEJMQRSW-UHFFFAOYSA-N 1 0 412.553 4.123 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nnc(C(C)(C)C)s2)C1 ZINC000435517212 860834929 /nfs/dbraw/zinc/83/49/29/860834929.db2.gz WIYYJEZGWYJDDB-UHFFFAOYSA-N 1 0 411.575 4.196 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc3ccccc3n2)C1 ZINC000435542492 860857240 /nfs/dbraw/zinc/85/72/40/860857240.db2.gz DOQCZWIPEGEIGW-UHFFFAOYSA-N 1 0 412.537 4.272 20 10 HICDRO Cc1nc2ccc(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)cc2o1 ZINC000435605576 860908315 /nfs/dbraw/zinc/90/83/15/860908315.db2.gz FJDGADXLFNUQRB-UHFFFAOYSA-N 1 0 402.498 4.496 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2nc3ccccc3o2)C1 ZINC000435665149 860943549 /nfs/dbraw/zinc/94/35/49/860943549.db2.gz PIWHYVCNVRDAOQ-UHFFFAOYSA-N 1 0 402.498 4.212 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC000435905914 861166169 /nfs/dbraw/zinc/16/61/69/861166169.db2.gz CZHXGEUQGIXEEO-VHFRWLAGSA-N 1 0 413.565 4.110 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N(CC[NH+](C)C)Cc3cccs3)ccc21 ZINC000438471173 863890787 /nfs/dbraw/zinc/89/07/87/863890787.db2.gz RRVZWBJWAQUNKZ-UHFFFAOYSA-N 1 0 413.587 4.170 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000471986184 886812862 /nfs/dbraw/zinc/81/28/62/886812862.db2.gz WECSVIAEGZLMBJ-JTSKRJEESA-N 1 0 410.587 4.431 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000471986186 886813325 /nfs/dbraw/zinc/81/33/25/886813325.db2.gz WECSVIAEGZLMBJ-VGOFRKELSA-N 1 0 410.587 4.431 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)ccc21 ZINC000486901583 901945282 /nfs/dbraw/zinc/94/52/82/901945282.db2.gz PZOWVYJPUOAXAD-QHCPKHFHSA-N 1 0 411.521 4.076 20 10 HICDRO COc1ccc(-n2c(C)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C)cc1 ZINC000010742260 845701376 /nfs/dbraw/zinc/70/13/76/845701376.db2.gz JVYQFKPMMYFVGD-UHFFFAOYSA-N 1 0 417.553 4.497 20 10 HICDRO O=C(C1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1)N1CCCC1 ZINC000028708767 847451165 /nfs/dbraw/zinc/45/11/65/847451165.db2.gz DCYFRFPCEUUJIY-UHFFFAOYSA-N 1 0 417.347 4.142 20 10 HICDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000060063939 851036629 /nfs/dbraw/zinc/03/66/29/851036629.db2.gz SBLRGRKAQAFCBH-HXUWFJFHSA-N 1 0 409.486 4.127 20 10 HICDRO COc1ccc(N2CCC[N@H+](CC(=O)N(C)[C@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000097494676 852619130 /nfs/dbraw/zinc/61/91/30/852619130.db2.gz SBGAGAOBFWTRJN-GOSISDBHSA-N 1 0 415.965 4.080 20 10 HICDRO COc1c(Br)cc(C[NH2+]Cc2ccccc2O)cc1Br ZINC000134236230 853371759 /nfs/dbraw/zinc/37/17/59/853371759.db2.gz YOTSKXMCZCZKCK-UHFFFAOYSA-N 1 0 401.098 4.216 20 10 HICDRO COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1OCc1cccs1 ZINC000237252241 853991217 /nfs/dbraw/zinc/99/12/17/853991217.db2.gz ZOVCJXAPCXTIDU-UHFFFAOYSA-N 1 0 424.566 4.462 20 10 HICDRO COc1cccc(C[NH2+]CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1O ZINC000237375410 854017851 /nfs/dbraw/zinc/01/78/51/854017851.db2.gz OAUCQZZOHXCECS-UHFFFAOYSA-N 1 0 420.509 4.059 20 10 HICDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000237681881 854075311 /nfs/dbraw/zinc/07/53/11/854075311.db2.gz UFDQPDSKMQNGSG-MRXNPFEDSA-N 1 0 402.445 4.338 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNc3cc(-c4nc(C(C)C)no4)ccn3)cc2F)CC1 ZINC000301391997 854380702 /nfs/dbraw/zinc/38/07/02/854380702.db2.gz HSIOHCQBVXSXFJ-UHFFFAOYSA-N 1 0 424.524 4.148 20 10 HICDRO CC(C)(C)n1ncc2c1ncnc2N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000301852449 854476437 /nfs/dbraw/zinc/47/64/37/854476437.db2.gz AVNBSPQGTYPUDI-MRXNPFEDSA-N 1 0 414.941 4.017 20 10 HICDRO COc1cc(N2CCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)cc(OC)c1OC ZINC000302170048 854541768 /nfs/dbraw/zinc/54/17/68/854541768.db2.gz UFPJRMUFIOZBFB-UHFFFAOYSA-N 1 0 411.477 4.035 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3ccc(C)o3)[NH+]3CCCC3)ccc21 ZINC000303211186 854818490 /nfs/dbraw/zinc/81/84/90/854818490.db2.gz RLTJLVQJBYQIND-QHCPKHFHSA-N 1 0 423.557 4.373 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3SC(C)C)cc2F)CC1 ZINC000303355388 854889405 /nfs/dbraw/zinc/88/94/05/854889405.db2.gz ZJGQFENNTYPQPT-UHFFFAOYSA-N 1 0 415.578 4.398 20 10 HICDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[C@H](C)C1 ZINC000303710742 855145547 /nfs/dbraw/zinc/14/55/47/855145547.db2.gz PTJVXEDASCDLDC-XXBNENTESA-N 1 0 411.590 4.269 20 10 HICDRO COc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c(C)c(OC)c1 ZINC000410375795 855959653 /nfs/dbraw/zinc/95/96/53/855959653.db2.gz ZMUPQQHRMJLONM-UHFFFAOYSA-N 1 0 421.541 4.372 20 10 HICDRO CCC(=O)Nc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1 ZINC000435552495 860868527 /nfs/dbraw/zinc/86/85/27/860868527.db2.gz SOZPIWFLDLANKN-UHFFFAOYSA-N 1 0 418.541 4.395 20 10 HICDRO COc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1OC ZINC000435634056 860927534 /nfs/dbraw/zinc/92/75/34/860927534.db2.gz BZJBFIDWQGDYMV-UHFFFAOYSA-N 1 0 407.514 4.064 20 10 HICDRO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)[C@@H](C)c1cccnc1 ZINC000435854741 861115589 /nfs/dbraw/zinc/11/55/89/861115589.db2.gz HQDSBJDSRSKNDV-IBGZPJMESA-N 1 0 404.558 4.413 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](c3ccccc3)C2)C1 ZINC000443906529 868442024 /nfs/dbraw/zinc/44/20/24/868442024.db2.gz HQARIPIDALFDJG-VWLOTQADSA-N 1 0 417.553 4.008 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(c3ccccc3F)C2)C1 ZINC000462986541 876000895 /nfs/dbraw/zinc/00/08/95/876000895.db2.gz HJNFRLUZEZXEDY-UHFFFAOYSA-N 1 0 405.517 4.173 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000471776105 886508149 /nfs/dbraw/zinc/50/81/49/886508149.db2.gz WPXREAHXMQTEEB-GOSISDBHSA-N 1 0 410.587 4.260 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccc21 ZINC000484876694 900265024 /nfs/dbraw/zinc/26/50/24/900265024.db2.gz IOVBRAAMJDCRIE-UHFFFAOYSA-N 1 0 419.569 4.430 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)ccc21 ZINC000486104294 901291505 /nfs/dbraw/zinc/29/15/05/901291505.db2.gz JTCGOFFQJMKPFP-KGVIQGDOSA-N 1 0 411.590 4.382 20 10 HICDRO Cc1c2ccccc2n(C)c1CNc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000490041494 903738463 /nfs/dbraw/zinc/73/84/63/903738463.db2.gz SAWWZCLEXXRMFT-NRFANRHFSA-N 1 0 404.558 4.265 20 10 HICDRO CCc1noc(C)c1-c1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000518257632 927113848 /nfs/dbraw/zinc/11/38/48/927113848.db2.gz GVJIPBFAGURUEY-UHFFFAOYSA-N 1 0 405.502 4.365 20 10 HICDRO CC(=O)c1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)ccc1F ZINC000560732811 944313935 /nfs/dbraw/zinc/31/39/35/944313935.db2.gz ZKUYYWQLKRTULK-UHFFFAOYSA-N 1 0 407.489 4.388 20 10 HICDRO Cc1cccc([C@H]2CCCN2C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000572466632 947913905 /nfs/dbraw/zinc/91/39/05/947913905.db2.gz LDBDANVKBMKIHM-RUZDIDTESA-N 1 0 416.569 4.475 20 10 HICDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000048745173 849263221 /nfs/dbraw/zinc/26/32/21/849263221.db2.gz FGGLCQQKQOOUMX-UHFFFAOYSA-N 1 0 416.447 4.018 20 10 HICDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000056479005 850377810 /nfs/dbraw/zinc/37/78/10/850377810.db2.gz DVJZOKFVHWFDIH-UHFFFAOYSA-N 1 0 414.893 4.033 20 10 HICDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000108131419 852825045 /nfs/dbraw/zinc/82/50/45/852825045.db2.gz MXWHUVFPCFSHPU-UHFFFAOYSA-N 1 0 420.557 4.140 20 10 HICDRO OCC1CCN(c2ccc(C[NH2+]Cc3ccccc3OCc3cccnc3)cc2)CC1 ZINC000140170102 853436561 /nfs/dbraw/zinc/43/65/61/853436561.db2.gz KNFZWJXBYYJEHI-UHFFFAOYSA-N 1 0 417.553 4.159 20 10 HICDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000215607736 853833428 /nfs/dbraw/zinc/83/34/28/853833428.db2.gz YUWAKPKWQZPTPO-HXUWFJFHSA-N 1 0 414.619 4.306 20 10 HICDRO COc1ccc(N2CCC([NH2+]Cc3ccccc3OCc3cccnc3)CC2)cc1 ZINC000237572951 854056580 /nfs/dbraw/zinc/05/65/80/854056580.db2.gz JZMVKYJLMQWSRL-UHFFFAOYSA-N 1 0 403.526 4.428 20 10 HICDRO Cc1cc(O)c(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1C ZINC000237864225 854110832 /nfs/dbraw/zinc/11/08/32/854110832.db2.gz WKJZZJNNYBEKPV-LJQANCHMSA-N 1 0 406.448 4.481 20 10 HICDRO FC(F)Oc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000237883721 854114592 /nfs/dbraw/zinc/11/45/92/854114592.db2.gz RRXDLJQJPKJJHE-UHFFFAOYSA-N 1 0 416.390 4.433 20 10 HICDRO Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000303767800 855186971 /nfs/dbraw/zinc/18/69/71/855186971.db2.gz MKCAVZIFXQANGS-OAQYLSRUSA-N 1 0 423.601 4.448 20 10 HICDRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)n1-c1ccccc1Br ZINC000303961418 855323179 /nfs/dbraw/zinc/32/31/79/855323179.db2.gz WSNCSTUOVCRUSV-IFXJQAMLSA-N 1 0 418.379 4.269 20 10 HICDRO CC[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cc(Br)ccc1O ZINC000314010423 855374704 /nfs/dbraw/zinc/37/47/04/855374704.db2.gz FDRJFMDOHOINLI-CQSZACIVSA-N 1 0 417.145 4.245 20 10 HICDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)c(OC)c1)c1cc(Br)ccc1O ZINC000327043507 855415137 /nfs/dbraw/zinc/41/51/37/855415137.db2.gz VRHNLPHCCDWNRW-OAHLLOKOSA-N 1 0 410.308 4.421 20 10 HICDRO COCCC1(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CCCC1 ZINC000435821875 861086488 /nfs/dbraw/zinc/08/64/88/861086488.db2.gz JKBONZDCOUIGIX-UHFFFAOYSA-N 1 0 411.590 4.121 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000435857914 861117944 /nfs/dbraw/zinc/11/79/44/861117944.db2.gz ZAHMFHWWOQRZLP-UHFFFAOYSA-N 1 0 401.432 4.464 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)[C@H]2COc3ccccc32)C1 ZINC000435913426 861176015 /nfs/dbraw/zinc/17/60/15/861176015.db2.gz AUPAVEYBEPSCRY-XMSQKQJNSA-N 1 0 417.553 4.089 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2cc3ccccc3[nH]2)C1 ZINC000435920560 861180404 /nfs/dbraw/zinc/18/04/04/861180404.db2.gz LGQBMIPJECIQFN-UHFFFAOYSA-N 1 0 414.553 4.248 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccc3cc[nH]c32)C1 ZINC000444291697 868720272 /nfs/dbraw/zinc/72/02/72/868720272.db2.gz UBOKTKHFQIKKLI-UHFFFAOYSA-N 1 0 400.526 4.206 20 10 HICDRO Cc1[nH]nc(C(F)F)c1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444351646 868779843 /nfs/dbraw/zinc/77/98/43/868779843.db2.gz KVBGSMKXSAOCID-UHFFFAOYSA-N 1 0 401.461 4.016 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2CCC(F)(F)CC2)C1 ZINC000501192896 910355800 /nfs/dbraw/zinc/35/58/00/910355800.db2.gz DNKDILPFRBYNDC-UHFFFAOYSA-N 1 0 403.517 4.350 20 10 HICDRO CC(C)n1cc([C@@H](C)NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cn1 ZINC000570029406 947077277 /nfs/dbraw/zinc/07/72/77/947077277.db2.gz DCMYGYDIAHUCKK-GOSISDBHSA-N 1 0 407.562 4.063 20 10 HICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000026310992 847122875 /nfs/dbraw/zinc/12/28/75/847122875.db2.gz MTNHLPXMSMIJKG-IBGZPJMESA-N 1 0 417.619 4.414 20 10 HICDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000048745169 849261921 /nfs/dbraw/zinc/26/19/21/849261921.db2.gz WKTPSRGVZBKUTF-UHFFFAOYSA-N 1 0 416.447 4.018 20 10 HICDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150097492 853637907 /nfs/dbraw/zinc/63/79/07/853637907.db2.gz IRBQIIZDECEAFL-UHFFFAOYSA-N 1 0 408.590 4.196 20 10 HICDRO COc1ccc(-c2nc(CN3CC[NH+](Cc4cc(C)cc(C)c4O)CC3)cs2)cc1 ZINC000218155476 853862392 /nfs/dbraw/zinc/86/23/92/853862392.db2.gz ZOGLTXAGRCZXND-UHFFFAOYSA-N 1 0 423.582 4.459 20 10 HICDRO CCOc1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1O ZINC000236926747 853938470 /nfs/dbraw/zinc/93/84/70/853938470.db2.gz YFXZARSFQGXFDA-QFIPXVFZSA-N 1 0 411.523 4.074 20 10 HICDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000237334007 854008574 /nfs/dbraw/zinc/00/85/74/854008574.db2.gz ZYUJUHNBUXQUQO-INIZCTEOSA-N 1 0 421.463 4.049 20 10 HICDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000302795698 854635262 /nfs/dbraw/zinc/63/52/62/854635262.db2.gz ZVXAHKUVQWMXLA-UHFFFAOYSA-N 1 0 421.545 4.208 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000435552607 860868360 /nfs/dbraw/zinc/86/83/60/860868360.db2.gz UONHTQLJUKFZRS-KRWDZBQOSA-N 1 0 419.525 4.014 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2c2cccnc2)C1 ZINC000435664725 860943276 /nfs/dbraw/zinc/94/32/76/860943276.db2.gz NNWCOQSTZNDCMR-JOCHJYFZSA-N 1 0 402.542 4.167 20 10 HICDRO CCCO[C@H]1CCCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000435863308 861121953 /nfs/dbraw/zinc/12/19/53/861121953.db2.gz VUGJPXBCTUXPSJ-FQEVSTJZSA-N 1 0 411.590 4.216 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](Nc3ccccc3)C2)C1 ZINC000444093429 868612965 /nfs/dbraw/zinc/61/29/65/868612965.db2.gz IWVYEUWDDVGLLU-NRFANRHFSA-N 1 0 416.569 4.121 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000471986187 886813034 /nfs/dbraw/zinc/81/30/34/886813034.db2.gz WECSVIAEGZLMBJ-VGSWGCGISA-N 1 0 410.587 4.431 20 10 HICDRO CCOc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000475197599 890066249 /nfs/dbraw/zinc/06/62/49/890066249.db2.gz UFOBCISWGBKCKQ-SFHVURJKSA-N 1 0 423.557 4.031 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@H]2c2ccncc2)C1 ZINC000476709400 891670422 /nfs/dbraw/zinc/67/04/22/891670422.db2.gz OOUDXVBXTIFMCO-RUZDIDTESA-N 1 0 416.569 4.413 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000482542372 898129951 /nfs/dbraw/zinc/12/99/51/898129951.db2.gz GOHLDIWOTOLJTE-GOSISDBHSA-N 1 0 419.569 4.081 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)ccc21 ZINC000486901579 901945440 /nfs/dbraw/zinc/94/54/40/901945440.db2.gz PZOWVYJPUOAXAD-HSZRJFAPSA-N 1 0 411.521 4.076 20 10 HICDRO COc1ccccc1Cc1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000519558834 928014295 /nfs/dbraw/zinc/01/42/95/928014295.db2.gz LOVKAMJMHWHMNN-UHFFFAOYSA-N 1 0 416.525 4.439 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000553797813 941971403 /nfs/dbraw/zinc/97/14/03/941971403.db2.gz PKFCGCTXPUZMDW-HYBUGGRVSA-N 1 0 404.558 4.369 20 10 HICDRO Cc1cccc([C@@H]2CCCN2C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000572466633 947913302 /nfs/dbraw/zinc/91/33/02/947913302.db2.gz LDBDANVKBMKIHM-VWLOTQADSA-N 1 0 416.569 4.475 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](CC(F)(F)F)C2)C1 ZINC000435987528 861262450 /nfs/dbraw/zinc/26/24/50/861262450.db2.gz YGPWNJQEFMJRTR-MRXNPFEDSA-N 1 0 407.480 4.209 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3cc(F)ccc3C2)C1 ZINC000436018020 861309682 /nfs/dbraw/zinc/30/96/82/861309682.db2.gz BKGRBOJWHXMMHM-UHFFFAOYSA-N 1 0 405.517 4.132 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](c2cccnc2)C2CC2)C1 ZINC000436022755 861316970 /nfs/dbraw/zinc/31/69/70/861316970.db2.gz MYEDULSPHOTWLO-RUZDIDTESA-N 1 0 402.542 4.070 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000436044613 861334124 /nfs/dbraw/zinc/33/41/24/861334124.db2.gz MWYWSMZVTIOSCU-FDDCHVKYSA-N 1 0 411.590 4.118 20 10 HICDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 ZINC000108088769 852821897 /nfs/dbraw/zinc/82/18/97/852821897.db2.gz NXZBSUFUTDCLLW-QGZVFWFLSA-N 1 0 410.493 4.466 20 10 HICDRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000217139002 853860548 /nfs/dbraw/zinc/86/05/48/853860548.db2.gz JPBDGRFZNUBGOW-RXVVDRJESA-N 1 0 422.525 4.339 20 10 HICDRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000236655575 853908475 /nfs/dbraw/zinc/90/84/75/853908475.db2.gz SKBXVWJVAMMAPP-UHFFFAOYSA-N 1 0 422.548 4.435 20 10 HICDRO COCCOc1ccccc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237126250 853968515 /nfs/dbraw/zinc/96/85/15/853968515.db2.gz WUNWIVQIFTUMQV-SFHVURJKSA-N 1 0 406.473 4.072 20 10 HICDRO COc1ccc(N2CCN(CCC[NH2+]Cc3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000237275916 853996286 /nfs/dbraw/zinc/99/62/86/853996286.db2.gz BUZRBRGFPXDFNW-UHFFFAOYSA-N 1 0 422.598 4.121 20 10 HICDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3ccc(N(C)C)cc3)c2)cc1 ZINC000237475978 854041455 /nfs/dbraw/zinc/04/14/55/854041455.db2.gz PRUQWILPIVNYCH-UHFFFAOYSA-N 1 0 419.525 4.182 20 10 HICDRO COc1ccc(C([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccc(OC)cc2)cc1 ZINC000237504971 854046165 /nfs/dbraw/zinc/04/61/65/854046165.db2.gz FTCYEUZFRCDMHX-UHFFFAOYSA-N 1 0 418.537 4.420 20 10 HICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000237543233 854052607 /nfs/dbraw/zinc/05/26/07/854052607.db2.gz NKVDEXSFLZQGMR-IBGZPJMESA-N 1 0 416.525 4.021 20 10 HICDRO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000303044719 854737340 /nfs/dbraw/zinc/73/73/40/854737340.db2.gz TYEGWGOHCNJVCF-UHFFFAOYSA-N 1 0 408.498 4.368 20 10 HICDRO Cc1ccc([C@@H](CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[NH+]2CCCC2)o1 ZINC000303211519 854818565 /nfs/dbraw/zinc/81/85/65/854818565.db2.gz RMAYFOUGYMVRJO-HSZRJFAPSA-N 1 0 416.525 4.434 20 10 HICDRO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000303478766 854974007 /nfs/dbraw/zinc/97/40/07/854974007.db2.gz JYONGKXTEIJHAO-NOTZXAQLSA-N 1 0 414.553 4.415 20 10 HICDRO CC(C)[C@@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1cccnc1 ZINC000435808437 861075199 /nfs/dbraw/zinc/07/51/99/861075199.db2.gz MBGCWRXTYDMOPC-JOCHJYFZSA-N 1 0 418.585 4.359 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)[C@@H]2COc3ccccc32)C1 ZINC000435913421 861176187 /nfs/dbraw/zinc/17/61/87/861176187.db2.gz AUPAVEYBEPSCRY-GCJKJVERSA-N 1 0 417.553 4.089 20 10 HICDRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444328987 868756226 /nfs/dbraw/zinc/75/62/26/868756226.db2.gz UVGLILWZRUVJIR-HSZRJFAPSA-N 1 0 419.573 4.111 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)ccc21 ZINC000486104292 901291951 /nfs/dbraw/zinc/29/19/51/901291951.db2.gz JTCGOFFQJMKPFP-HMFYCAOWSA-N 1 0 411.590 4.382 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ccc(Cl)cn2)C1 ZINC000507178130 915922178 /nfs/dbraw/zinc/92/21/78/915922178.db2.gz KPTQHJGPQNCMOS-MRXNPFEDSA-N 1 0 410.949 4.334 20 10 HICDRO COc1ccc(Cc2noc(Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)cc1 ZINC000517432221 924180258 /nfs/dbraw/zinc/18/02/58/924180258.db2.gz NDWZSHKRJDQFEZ-UHFFFAOYSA-N 1 0 416.525 4.439 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc4nc[nH]c4c3)no2)C1 ZINC000554807807 942251173 /nfs/dbraw/zinc/25/11/73/942251173.db2.gz RYENENDYDRDDDV-UHFFFAOYSA-N 1 0 412.497 4.382 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc4c(c3)CCO4)no2)C1 ZINC000575112137 948598038 /nfs/dbraw/zinc/59/80/38/948598038.db2.gz CUJCWLKWXINWMQ-UHFFFAOYSA-N 1 0 414.509 4.441 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000436044616 861335084 /nfs/dbraw/zinc/33/50/84/861335084.db2.gz MWYWSMZVTIOSCU-WZONZLPQSA-N 1 0 411.590 4.118 20 10 HICDRO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1O ZINC000008190863 845487749 /nfs/dbraw/zinc/48/77/49/845487749.db2.gz HHUKMGCMRIUOPD-UHFFFAOYSA-N 1 0 418.493 4.183 20 10 HICDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000048745171 849261668 /nfs/dbraw/zinc/26/16/68/849261668.db2.gz MYRJXTDHKOJASN-UHFFFAOYSA-N 1 0 416.447 4.222 20 10 HICDRO COc1ccc(N2CCC[N@H+](CCCc3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 ZINC000097494632 852619459 /nfs/dbraw/zinc/61/94/59/852619459.db2.gz YIFUVMSAIDIXTF-UHFFFAOYSA-N 1 0 424.520 4.338 20 10 HICDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(C)n1-c1cccc(Br)c1 ZINC000109986171 853041677 /nfs/dbraw/zinc/04/16/77/853041677.db2.gz DNAZVROSNMAQMU-KRWDZBQOSA-N 1 0 418.379 4.317 20 10 HICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](CNC(=O)OC(C)(C)C)C3)c2c1 ZINC000139963202 853427788 /nfs/dbraw/zinc/42/77/88/853427788.db2.gz JLMYQFBFACETGU-MRXNPFEDSA-N 1 0 400.519 4.291 20 10 HICDRO COc1ccccc1CNC(=O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000216477268 853854535 /nfs/dbraw/zinc/85/45/35/853854535.db2.gz YZFBOPAQBDWEIO-IBGZPJMESA-N 1 0 404.510 4.280 20 10 HICDRO COc1ccc(N2CCC([NH2+]Cc3c(C)nn(Cc4ccccc4)c3C)CC2)cc1 ZINC000237573491 854056321 /nfs/dbraw/zinc/05/63/21/854056321.db2.gz FYJGLKDJQFITPU-UHFFFAOYSA-N 1 0 404.558 4.315 20 10 HICDRO Cc1ccc(O)c(C[NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c1 ZINC000237765597 854091895 /nfs/dbraw/zinc/09/18/95/854091895.db2.gz KFZMUEAOJGHXEZ-QFIPXVFZSA-N 1 0 417.477 4.262 20 10 HICDRO Fc1cc(C[NH2+]CCc2nc(C3CCCCC3)cs2)ccc1N1CCOCC1 ZINC000237848292 854107609 /nfs/dbraw/zinc/10/76/09/854107609.db2.gz DSLFZTIWLHEPTL-UHFFFAOYSA-N 1 0 403.567 4.499 20 10 HICDRO CCc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c2ccccc2[nH+]1 ZINC000302172414 854542377 /nfs/dbraw/zinc/54/23/77/854542377.db2.gz VHNIBBSYEYYNLJ-UHFFFAOYSA-N 1 0 407.514 4.150 20 10 HICDRO Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302176056 854543450 /nfs/dbraw/zinc/54/34/50/854543450.db2.gz MUKLPOBWNBCZLD-UHFFFAOYSA-N 1 0 410.449 4.164 20 10 HICDRO CN(C)c1ccc(CN(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000303547041 855032609 /nfs/dbraw/zinc/03/26/09/855032609.db2.gz VBGMMGFDDANQFC-UHFFFAOYSA-N 1 0 408.590 4.470 20 10 HICDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000303630185 855087876 /nfs/dbraw/zinc/08/78/76/855087876.db2.gz FQCNUOFQBYSRAF-LJQANCHMSA-N 1 0 406.574 4.094 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3c[nH]c4c3cccc4C)cc2F)CC1 ZINC000303838355 855236514 /nfs/dbraw/zinc/23/65/14/855236514.db2.gz HWRYODPNZNROGP-UHFFFAOYSA-N 1 0 422.548 4.006 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nc(-c3ccc[nH]3)cs2)C1 ZINC000435634370 860929303 /nfs/dbraw/zinc/92/93/03/860929303.db2.gz BJTXHKUSKRYRCD-UHFFFAOYSA-N 1 0 419.554 4.498 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](c3ccccc3)C2)C1 ZINC000443906525 868442366 /nfs/dbraw/zinc/44/23/66/868442366.db2.gz HQARIPIDALFDJG-RUZDIDTESA-N 1 0 417.553 4.008 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000443909228 868445795 /nfs/dbraw/zinc/44/57/95/868445795.db2.gz QOIWQYSXPBZGOW-UHFFFAOYSA-N 1 0 414.553 4.248 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2c2cccn2C)C1 ZINC000443918955 868455424 /nfs/dbraw/zinc/45/54/24/868455424.db2.gz WWHHIWAWCLGXGS-DEOSSOPVSA-N 1 0 404.558 4.110 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](Nc3ccccc3)C2)C1 ZINC000444093432 868612432 /nfs/dbraw/zinc/61/24/32/868612432.db2.gz IWVYEUWDDVGLLU-OAQYLSRUSA-N 1 0 416.569 4.121 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCc3c(O)cccc32)C1 ZINC000444411857 868816095 /nfs/dbraw/zinc/81/60/95/868816095.db2.gz IFDDNLZIYKBYBU-QFIPXVFZSA-N 1 0 417.553 4.307 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000471998523 886824115 /nfs/dbraw/zinc/82/41/15/886824115.db2.gz LXNSDBJYCMSPME-GCJKJVERSA-N 1 0 404.558 4.197 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000472218028 887020745 /nfs/dbraw/zinc/02/07/45/887020745.db2.gz BBGUQLYCZCBCAC-UHFFFAOYSA-N 1 0 414.500 4.038 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCC(F)(F)C2)C1 ZINC000499578301 908846186 /nfs/dbraw/zinc/84/61/86/908846186.db2.gz ZHWQUZFGRUEXIF-KRWDZBQOSA-N 1 0 403.517 4.350 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2cccc3[nH]ccc32)C1 ZINC000501977075 910958562 /nfs/dbraw/zinc/95/85/62/910958562.db2.gz LSNXXCDKZRMHGP-UHFFFAOYSA-N 1 0 414.553 4.248 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)ccc21 ZINC000517657879 926765459 /nfs/dbraw/zinc/76/54/59/926765459.db2.gz XEQUPGGXVNSKHE-GOSISDBHSA-N 1 0 407.558 4.155 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000435987523 861263149 /nfs/dbraw/zinc/26/31/49/861263149.db2.gz YGPWNJQEFMJRTR-INIZCTEOSA-N 1 0 407.480 4.209 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnn([C@H](C)C3CC3)c2)C1 ZINC000435993321 861272554 /nfs/dbraw/zinc/27/25/54/861272554.db2.gz GBSZFXUSIJGBHD-QGZVFWFLSA-N 1 0 405.546 4.214 20 10 HICDRO CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000015571931 846065331 /nfs/dbraw/zinc/06/53/31/846065331.db2.gz WKKDVQJXFZJUGK-GBXCKJPGSA-N 1 0 409.574 4.001 20 10 HICDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000195560839 853683604 /nfs/dbraw/zinc/68/36/04/853683604.db2.gz GXKWUXTWQOEZDE-HXUWFJFHSA-N 1 0 400.592 4.231 20 10 HICDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000195559787 853683702 /nfs/dbraw/zinc/68/37/02/853683702.db2.gz KSHCQFHPTACWKJ-XMMPIXPASA-N 1 0 424.589 4.178 20 10 HICDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(OC)c1OC ZINC000237325402 854006810 /nfs/dbraw/zinc/00/68/10/854006810.db2.gz QIPRPIJZRBGQJA-MRXNPFEDSA-N 1 0 422.472 4.072 20 10 HICDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000237838958 854106375 /nfs/dbraw/zinc/10/63/75/854106375.db2.gz VTOZFIBTJWCZGY-UHFFFAOYSA-N 1 0 413.521 4.264 20 10 HICDRO Fc1ccc(Oc2ccc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)cn2)cc1 ZINC000237882416 854113640 /nfs/dbraw/zinc/11/36/40/854113640.db2.gz XDAQPLWOFVHYBE-UHFFFAOYSA-N 1 0 411.452 4.279 20 10 HICDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000237961167 854126550 /nfs/dbraw/zinc/12/65/50/854126550.db2.gz OOJMXWYFZCLSER-UHFFFAOYSA-N 1 0 409.511 4.450 20 10 HICDRO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255412502 854217058 /nfs/dbraw/zinc/21/70/58/854217058.db2.gz VOUYWADOQSGHPN-UHFFFAOYSA-N 1 0 422.533 4.201 20 10 HICDRO CCCN(Cc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000303279067 854848378 /nfs/dbraw/zinc/84/83/78/854848378.db2.gz IAJZSECZSTXDOT-UHFFFAOYSA-N 1 0 412.553 4.089 20 10 HICDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccccc1Br ZINC000303416070 854917541 /nfs/dbraw/zinc/91/75/41/854917541.db2.gz WNVZYLRKNNSQKE-MRXNPFEDSA-N 1 0 416.363 4.071 20 10 HICDRO O=C(NCc1ccco1)c1cccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000303459856 854960010 /nfs/dbraw/zinc/96/00/10/854960010.db2.gz LCEVCMLYQGOTEU-QHCPKHFHSA-N 1 0 420.509 4.096 20 10 HICDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@H](C)C1 ZINC000303677954 855126551 /nfs/dbraw/zinc/12/65/51/855126551.db2.gz JJKBMEUDDLLHPH-UZUQRXQVSA-N 1 0 415.553 4.100 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(OCCF)c2)C1 ZINC000435818359 861084282 /nfs/dbraw/zinc/08/42/82/861084282.db2.gz RVYPCTRXGATXFQ-UHFFFAOYSA-N 1 0 409.505 4.395 20 10 HICDRO COc1c(F)cc(F)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435822585 861087244 /nfs/dbraw/zinc/08/72/44/861087244.db2.gz RIVYQKFBPRWPTO-UHFFFAOYSA-N 1 0 413.468 4.333 20 10 HICDRO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)[C@H](C)c1cccnc1 ZINC000435854742 861115309 /nfs/dbraw/zinc/11/53/09/861115309.db2.gz HQDSBJDSRSKNDV-LJQANCHMSA-N 1 0 404.558 4.413 20 10 HICDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444245634 868693721 /nfs/dbraw/zinc/69/37/21/868693721.db2.gz KGZZAFGLRSSHIT-UHFFFAOYSA-N 1 0 418.585 4.417 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCc3c(O)cccc32)C1 ZINC000444411854 868815991 /nfs/dbraw/zinc/81/59/91/868815991.db2.gz IFDDNLZIYKBYBU-JOCHJYFZSA-N 1 0 417.553 4.307 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)C1 ZINC000470632457 885057711 /nfs/dbraw/zinc/05/77/11/885057711.db2.gz BPNYZONVBZNQKH-MAUKXSAKSA-N 1 0 407.480 4.207 20 10 HICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000475190458 890060026 /nfs/dbraw/zinc/06/00/26/890060026.db2.gz KRYNOYCMEJMVRS-MRXNPFEDSA-N 1 0 418.541 4.342 20 10 HICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000475199335 890068450 /nfs/dbraw/zinc/06/84/50/890068450.db2.gz UQKRZAJRALDECT-UHFFFAOYSA-N 1 0 416.525 4.338 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)ccc21 ZINC000481951686 897339374 /nfs/dbraw/zinc/33/93/74/897339374.db2.gz JRPXQMZTMSIYHH-UHFFFAOYSA-N 1 0 407.558 4.156 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)ccc21 ZINC000484932604 900303866 /nfs/dbraw/zinc/30/38/66/900303866.db2.gz HHXGMGNZWXVRSD-QHCPKHFHSA-N 1 0 411.521 4.076 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)ccc21 ZINC000486045364 901246374 /nfs/dbraw/zinc/24/63/74/901246374.db2.gz MVEYUQHXDGUKSH-UHFFFAOYSA-N 1 0 411.590 4.289 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)ccc21 ZINC000486104296 901292255 /nfs/dbraw/zinc/29/22/55/901292255.db2.gz JTCGOFFQJMKPFP-SPEDKVCISA-N 1 0 411.590 4.382 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccc21 ZINC000510790354 919257629 /nfs/dbraw/zinc/25/76/29/919257629.db2.gz AJVWMZSJVSICEW-GHTZIAJQSA-N 1 0 411.590 4.287 20 10 HICDRO COc1ccc(N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1OC ZINC000521755514 929417246 /nfs/dbraw/zinc/41/72/46/929417246.db2.gz MFJWZGKDMOOSLI-UHFFFAOYSA-N 1 0 421.541 4.088 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(C[NH+](C)C)c(F)c3)ccc21 ZINC000534999167 932881677 /nfs/dbraw/zinc/88/16/77/932881677.db2.gz GVJYGTDGIIZCQC-UHFFFAOYSA-N 1 0 411.521 4.035 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2c2ccccn2)C1 ZINC000566076797 945999554 /nfs/dbraw/zinc/99/95/54/945999554.db2.gz VRKDVKKIBASPPG-XMMPIXPASA-N 1 0 402.542 4.167 20 10 HICDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000011006108 845740855 /nfs/dbraw/zinc/74/08/55/845740855.db2.gz KLKLJQWCNQRQSA-UHFFFAOYSA-N 1 0 418.541 4.182 20 10 HICDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000110247940 853080375 /nfs/dbraw/zinc/08/03/75/853080375.db2.gz VYTSSQSHVSADRD-UHFFFAOYSA-N 1 0 400.320 4.306 20 10 HICDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000110466845 853104184 /nfs/dbraw/zinc/10/41/84/853104184.db2.gz PPPRNRATAPZHMM-UHFFFAOYSA-N 1 0 424.589 4.005 20 10 HICDRO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c(C)n1-c1cccc(Br)c1 ZINC000111137248 853207515 /nfs/dbraw/zinc/20/75/15/853207515.db2.gz FESKIGFALFWEHU-SFHVURJKSA-N 1 0 404.352 4.023 20 10 HICDRO COc1cccc(CNC(=O)C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)c1 ZINC000216482357 853854620 /nfs/dbraw/zinc/85/46/20/853854620.db2.gz DFLORMMDLXLHFO-LJQANCHMSA-N 1 0 404.510 4.280 20 10 HICDRO C[C@H](c1ccccc1)[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000216487043 853854628 /nfs/dbraw/zinc/85/46/28/853854628.db2.gz WLKMVIXHVXJPIK-GOSISDBHSA-N 1 0 418.493 4.001 20 10 HICDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cnc(-c4ccccc4)s3)CC2)cc1 ZINC000237274850 853995316 /nfs/dbraw/zinc/99/53/16/853995316.db2.gz PLVCABMCHBVTDM-UHFFFAOYSA-N 1 0 422.598 4.121 20 10 HICDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OCC(F)(F)F ZINC000237319456 854005851 /nfs/dbraw/zinc/00/58/51/854005851.db2.gz ZFESMUGMKNPFFA-INIZCTEOSA-N 1 0 424.463 4.324 20 10 HICDRO COc1ccc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237360215 854013591 /nfs/dbraw/zinc/01/35/91/854013591.db2.gz FIXHVDGFTXRBQP-DEOSSOPVSA-N 1 0 424.566 4.044 20 10 HICDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(OC)c1OC ZINC000237365038 854015819 /nfs/dbraw/zinc/01/58/19/854015819.db2.gz AQOHOPRAUOYFAF-MRXNPFEDSA-N 1 0 422.472 4.072 20 10 HICDRO Oc1cc2c(cc1C[NH2+][C@H](Cn1cnc3ccccc31)c1ccc(F)cc1)OCO2 ZINC000238138879 854147728 /nfs/dbraw/zinc/14/77/28/854147728.db2.gz NSLDPIIUFJROOE-LJQANCHMSA-N 1 0 405.429 4.141 20 10 HICDRO OC1CCN(c2ccc(C[NH2+]Cc3ccccc3OCc3cccnc3)cc2F)CC1 ZINC000238163669 854149517 /nfs/dbraw/zinc/14/95/17/854149517.db2.gz ADKNXOMZEISYKF-UHFFFAOYSA-N 1 0 421.516 4.051 20 10 HICDRO CC1CCN(c2ccc(CNC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000303290844 854854582 /nfs/dbraw/zinc/85/45/82/854854582.db2.gz ATZIGIUVHFZCTA-UHFFFAOYSA-N 1 0 420.601 4.387 20 10 HICDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccccc1Br ZINC000303416069 854917632 /nfs/dbraw/zinc/91/76/32/854917632.db2.gz WNVZYLRKNNSQKE-INIZCTEOSA-N 1 0 416.363 4.071 20 10 HICDRO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000303924337 855294397 /nfs/dbraw/zinc/29/43/97/855294397.db2.gz WGDXFXLGPKJPKP-FQEVSTJZSA-N 1 0 402.542 4.226 20 10 HICDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1cc(Br)ccc1O ZINC000381411569 855430452 /nfs/dbraw/zinc/43/04/52/855430452.db2.gz XZIOPTKZMMJERN-ZOWXZIJZSA-N 1 0 401.345 4.497 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)C1 ZINC000435552608 860868578 /nfs/dbraw/zinc/86/85/78/860868578.db2.gz UONHTQLJUKFZRS-QGZVFWFLSA-N 1 0 419.525 4.014 20 10 HICDRO CCOCc1ccccc1CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435605476 860908654 /nfs/dbraw/zinc/90/86/54/860908654.db2.gz FBVGNMNHPJXODT-UHFFFAOYSA-N 1 0 419.569 4.261 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccnn2[C@@H](C)C2CC2)C1 ZINC000435662122 860942171 /nfs/dbraw/zinc/94/21/71/860942171.db2.gz CCQHPLSHJYMIAW-KRWDZBQOSA-N 1 0 405.546 4.214 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(c3ccncc3)CC2)C1 ZINC000444278102 868711756 /nfs/dbraw/zinc/71/17/56/868711756.db2.gz AMDRYFWKOOTQCN-UHFFFAOYSA-N 1 0 416.569 4.209 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472280484 887097273 /nfs/dbraw/zinc/09/72/73/887097273.db2.gz XXQPANSUILAWCI-UHFFFAOYSA-N 1 0 422.495 4.091 20 10 HICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000475205338 890074513 /nfs/dbraw/zinc/07/45/13/890074513.db2.gz LCGYXXPWZYBSKA-UHFFFAOYSA-N 1 0 401.304 4.310 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)ccc21 ZINC000510790367 919257000 /nfs/dbraw/zinc/25/70/00/919257000.db2.gz AJVWMZSJVSICEW-NQIIRXRSSA-N 1 0 411.590 4.287 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000436044615 861334757 /nfs/dbraw/zinc/33/47/57/861334757.db2.gz MWYWSMZVTIOSCU-MBSDFSHPSA-N 1 0 411.590 4.118 20 10 HICDRO CCOc1ccc(Oc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccn2)cc1 ZINC000048777879 849266084 /nfs/dbraw/zinc/26/60/84/849266084.db2.gz KTUOSACSFUMVOL-UHFFFAOYSA-N 1 0 419.525 4.399 20 10 HICDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1OCc1c(C)noc1C ZINC000058474989 850834601 /nfs/dbraw/zinc/83/46/01/850834601.db2.gz NEQLETOWUQUQEH-UHFFFAOYSA-N 1 0 413.493 4.374 20 10 HICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cc1C ZINC000072001586 852459007 /nfs/dbraw/zinc/45/90/07/852459007.db2.gz IAFUBMUMZSIEQF-HNNXBMFYSA-N 1 0 418.335 4.017 20 10 HICDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](c3cccc(OC)c3)[NH+](C)C)c2C)cc1 ZINC000105165837 852692831 /nfs/dbraw/zinc/69/28/31/852692831.db2.gz VBEZBHKOLJOGID-DEOSSOPVSA-N 1 0 421.541 4.144 20 10 HICDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1OCc1ccccc1 ZINC000139991160 853429517 /nfs/dbraw/zinc/42/95/17/853429517.db2.gz LFXFSSMTGBBHPA-UHFFFAOYSA-N 1 0 418.537 4.401 20 10 HICDRO COc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1C ZINC000237302769 854001426 /nfs/dbraw/zinc/00/14/26/854001426.db2.gz KPNQKCOUGZIZQY-IBGZPJMESA-N 1 0 406.448 4.476 20 10 HICDRO CSc1nnc(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)n1CC(C)C ZINC000237434985 854032520 /nfs/dbraw/zinc/03/25/20/854032520.db2.gz GEADVFKKCNVNQK-UHFFFAOYSA-N 1 0 401.624 4.369 20 10 HICDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237508319 854047284 /nfs/dbraw/zinc/04/72/84/854047284.db2.gz XLELPWPASSFGSJ-MRXNPFEDSA-N 1 0 421.463 4.049 20 10 HICDRO Cc1cn2c(C[NH2+][C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c(C)nc2s1 ZINC000237924759 854119782 /nfs/dbraw/zinc/11/97/82/854119782.db2.gz ACWDSWGORWXARG-OAHLLOKOSA-N 1 0 406.502 4.373 20 10 HICDRO Cc1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000303196727 854812174 /nfs/dbraw/zinc/81/21/74/854812174.db2.gz NGTJPKWJHMOONS-HSZRJFAPSA-N 1 0 404.489 4.138 20 10 HICDRO CC(C)(C)OC(=O)N1CCC(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000303326983 854873654 /nfs/dbraw/zinc/87/36/54/854873654.db2.gz BWMMNYWLEHADFB-HXUWFJFHSA-N 1 0 404.551 4.020 20 10 HICDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[C@H](C)C1 ZINC000303740006 855165168 /nfs/dbraw/zinc/16/51/68/855165168.db2.gz YECVEGNFUYBREP-DVECYGJZSA-N 1 0 411.590 4.269 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000435539453 860853230 /nfs/dbraw/zinc/85/32/30/860853230.db2.gz HVBNEXJHZXWJKS-UHFFFAOYSA-N 1 0 413.525 4.437 20 10 HICDRO CC(=O)Nc1ccc(C)c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000435543609 860856929 /nfs/dbraw/zinc/85/69/29/860856929.db2.gz MDGMBKRQASCVRA-UHFFFAOYSA-N 1 0 418.541 4.313 20 10 HICDRO COc1cc(C)c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1OC ZINC000435612960 860917371 /nfs/dbraw/zinc/91/73/71/860917371.db2.gz IIFWAKYLXWSRDX-UHFFFAOYSA-N 1 0 421.541 4.372 20 10 HICDRO COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000435639357 860930084 /nfs/dbraw/zinc/93/00/84/860930084.db2.gz VWXDZRLTDFFXIX-UHFFFAOYSA-N 1 0 407.514 4.064 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nc3c(s2)C(=O)CCC3)C1 ZINC000435714087 860996929 /nfs/dbraw/zinc/99/69/29/860996929.db2.gz INEHEMVSGGWVKZ-UHFFFAOYSA-N 1 0 422.554 4.022 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOC[C@H]2c2ccccc2)C1 ZINC000435815784 861080650 /nfs/dbraw/zinc/08/06/50/861080650.db2.gz AOBSHCGZIHLTHH-VWLOTQADSA-N 1 0 417.553 4.008 20 10 HICDRO CCCO[C@@H]1CCCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000435863309 861122782 /nfs/dbraw/zinc/12/27/82/861122782.db2.gz VUGJPXBCTUXPSJ-HXUWFJFHSA-N 1 0 411.590 4.216 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000435863300 861123106 /nfs/dbraw/zinc/12/31/06/861123106.db2.gz VSEINBIGGQYIJD-OAQYLSRUSA-N 1 0 421.516 4.187 20 10 HICDRO Cc1nn(C)c2cc(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)ccc12 ZINC000462376231 875487840 /nfs/dbraw/zinc/48/78/40/875487840.db2.gz ITBYNBKWWQSXOQ-UHFFFAOYSA-N 1 0 415.541 4.242 20 10 HICDRO Cc1ncc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c(C2CC2)n1 ZINC000466431049 880207161 /nfs/dbraw/zinc/20/71/61/880207161.db2.gz MYXHXQVLNCSEQG-UHFFFAOYSA-N 1 0 403.530 4.022 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)ccc21 ZINC000483467215 899108262 /nfs/dbraw/zinc/10/82/62/899108262.db2.gz HRBRIQQOISDTGG-OFNKIYASSA-N 1 0 419.569 4.470 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2c2ccccn2)C1 ZINC000566076796 946000322 /nfs/dbraw/zinc/00/03/22/946000322.db2.gz VRKDVKKIBASPPG-DEOSSOPVSA-N 1 0 402.542 4.167 20 10 HICDRO CC(C)(C)c1cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000042912833 848365047 /nfs/dbraw/zinc/36/50/47/848365047.db2.gz BOMWNUVXXOGWAM-UHFFFAOYSA-N 1 0 416.606 4.058 20 10 HICDRO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc(C)c1OCc1ccccn1 ZINC000139988204 853429278 /nfs/dbraw/zinc/42/92/78/853429278.db2.gz KVTVSUULGKHMFU-UHFFFAOYSA-N 1 0 417.553 4.404 20 10 HICDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000236671167 853910504 /nfs/dbraw/zinc/91/05/04/853910504.db2.gz CVJCALXCSYMSGY-UHFFFAOYSA-N 1 0 415.603 4.044 20 10 HICDRO CCOc1cccc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1O ZINC000236933498 853939284 /nfs/dbraw/zinc/93/92/84/853939284.db2.gz YFXZARSFQGXFDA-JOCHJYFZSA-N 1 0 411.523 4.074 20 10 HICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000237391905 854021670 /nfs/dbraw/zinc/02/16/70/854021670.db2.gz NKVDEXSFLZQGMR-LJQANCHMSA-N 1 0 416.525 4.021 20 10 HICDRO Fc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(F)c1F ZINC000237854866 854108695 /nfs/dbraw/zinc/10/86/95/854108695.db2.gz WJOIJCYVPUTAGS-UHFFFAOYSA-N 1 0 404.354 4.249 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2F)CC1 ZINC000301188727 854324124 /nfs/dbraw/zinc/32/41/24/854324124.db2.gz LHEFFDDVQIHKLU-UHFFFAOYSA-N 1 0 409.465 4.036 20 10 HICDRO CC(C)(C)n1ncc2c1ncnc2N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000301852448 854476585 /nfs/dbraw/zinc/47/65/85/854476585.db2.gz AVNBSPQGTYPUDI-INIZCTEOSA-N 1 0 414.941 4.017 20 10 HICDRO COc1cccc([C@H](CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[NH+](C)C)c1 ZINC000302888480 854666934 /nfs/dbraw/zinc/66/69/34/854666934.db2.gz AAEBSQLBJUDFCU-DEOSSOPVSA-N 1 0 424.589 4.130 20 10 HICDRO CC[C@H]([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1cc(Br)ccc1O ZINC000381411567 855430513 /nfs/dbraw/zinc/43/05/13/855430513.db2.gz XZIOPTKZMMJERN-XUJVJEKNSA-N 1 0 401.345 4.497 20 10 HICDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000390070075 855453809 /nfs/dbraw/zinc/45/38/09/855453809.db2.gz NJOKLQQYMFFKCQ-INIZCTEOSA-N 1 0 411.340 4.034 20 10 HICDRO CC(C)COC1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000435543050 860857114 /nfs/dbraw/zinc/85/71/14/860857114.db2.gz IPRFQRLXHRKUMS-UHFFFAOYSA-N 1 0 411.590 4.071 20 10 HICDRO CC(=O)Nc1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1C ZINC000435607049 860909714 /nfs/dbraw/zinc/90/97/14/860909714.db2.gz KSZDJYAJDTVZQU-UHFFFAOYSA-N 1 0 418.541 4.313 20 10 HICDRO CCCCn1ncc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1C ZINC000444269540 868708082 /nfs/dbraw/zinc/70/80/82/868708082.db2.gz UOKWRZDXNZTULT-UHFFFAOYSA-N 1 0 407.562 4.352 20 10 HICDRO COCCNc1ccccc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444411302 868815867 /nfs/dbraw/zinc/81/58/67/868815867.db2.gz LWYDSOWSONRJIX-UHFFFAOYSA-N 1 0 420.557 4.105 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)C1 ZINC000470632463 885057152 /nfs/dbraw/zinc/05/71/52/885057152.db2.gz BPNYZONVBZNQKH-YJBOKZPZSA-N 1 0 407.480 4.207 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000475299210 890206329 /nfs/dbraw/zinc/20/63/29/890206329.db2.gz RRIHVZTXQXGRKN-HSZRJFAPSA-N 1 0 419.569 4.251 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)ccc21 ZINC000486702176 901802891 /nfs/dbraw/zinc/80/28/91/901802891.db2.gz RKMSDLWSOISUBG-XMMPIXPASA-N 1 0 407.558 4.246 20 10 HICDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cn1c2ccccc2nc1SC(F)F ZINC000016878897 846219198 /nfs/dbraw/zinc/21/91/98/846219198.db2.gz IZJJNQFEAHPSEE-UHFFFAOYSA-N 1 0 418.513 4.277 20 10 HICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](C(=O)Nc4cccc(C)n4)C3)c2c1 ZINC000047252317 849014905 /nfs/dbraw/zinc/01/49/05/849014905.db2.gz PCWWNIWVMQXZMQ-SFHVURJKSA-N 1 0 405.498 4.108 20 10 HICDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc(N2CCOCC2)cc1 ZINC000065429741 852128982 /nfs/dbraw/zinc/12/89/82/852128982.db2.gz LGCQVOJMDKUYJL-FQEVSTJZSA-N 1 0 403.526 4.348 20 10 HICDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1C ZINC000072001606 852458902 /nfs/dbraw/zinc/45/89/02/852458902.db2.gz GXKQJEVKQUJOLE-UHFFFAOYSA-N 1 0 418.335 4.017 20 10 HICDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000109977177 853040612 /nfs/dbraw/zinc/04/06/12/853040612.db2.gz HYUFDPLNABFFIL-UHFFFAOYSA-N 1 0 402.542 4.192 20 10 HICDRO CC[N@H+](Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1)C(C)C ZINC000110164758 853067529 /nfs/dbraw/zinc/06/75/29/853067529.db2.gz UZPBEXMHAOSYDU-UHFFFAOYSA-N 1 0 411.615 4.400 20 10 HICDRO Cc1cc(C(=O)N2CCC([NH+](C)C)CC2)c(C)n1-c1cccc(Br)c1 ZINC000110227083 853075969 /nfs/dbraw/zinc/07/59/69/853075969.db2.gz WSRZMDWSFPOOMQ-UHFFFAOYSA-N 1 0 404.352 4.023 20 10 HICDRO CC[NH+](CC)[C@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000110461546 853103234 /nfs/dbraw/zinc/10/32/34/853103234.db2.gz GMYGXGIOCALGQN-XMMPIXPASA-N 1 0 424.589 4.046 20 10 HICDRO C[C@H](c1ccccc1)[N@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1O ZINC000216483367 853854100 /nfs/dbraw/zinc/85/41/00/853854100.db2.gz YYHPDLKNAVXPJV-LJQANCHMSA-N 1 0 424.566 4.406 20 10 HICDRO COc1cccc(CNC(=O)C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 ZINC000216482305 853854440 /nfs/dbraw/zinc/85/44/40/853854440.db2.gz DFLORMMDLXLHFO-IBGZPJMESA-N 1 0 404.510 4.280 20 10 HICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000236965479 853943126 /nfs/dbraw/zinc/94/31/26/853943126.db2.gz FKYWQJLZNIKNCX-WOJBJXKFSA-N 1 0 409.574 4.072 20 10 HICDRO COc1ccc(N2CCC([NH2+]Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)cc1 ZINC000237277193 853996590 /nfs/dbraw/zinc/99/65/90/853996590.db2.gz CGXSNKPDYXFVCV-UHFFFAOYSA-N 1 0 423.538 4.306 20 10 HICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)c1 ZINC000237283101 853997552 /nfs/dbraw/zinc/99/75/52/853997552.db2.gz HQAMXKDYMQQGSP-UHFFFAOYSA-N 1 0 403.482 4.226 20 10 HICDRO COc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1C ZINC000237352404 854011747 /nfs/dbraw/zinc/01/17/47/854011747.db2.gz KPNQKCOUGZIZQY-LJQANCHMSA-N 1 0 406.448 4.476 20 10 HICDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000302902125 854673000 /nfs/dbraw/zinc/67/30/00/854673000.db2.gz SEUWKDBNENKCDE-QFIPXVFZSA-N 1 0 410.562 4.248 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc4ccccc4c3)cc2F)CC1 ZINC000303323518 854871655 /nfs/dbraw/zinc/87/16/55/854871655.db2.gz RVAGERRYOYJJSV-UHFFFAOYSA-N 1 0 420.532 4.120 20 10 HICDRO CCSCc1ccc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1 ZINC000303333738 854877850 /nfs/dbraw/zinc/87/78/50/854877850.db2.gz UUWOEULIIPAJPX-UHFFFAOYSA-N 1 0 415.578 4.151 20 10 HICDRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000303358167 854890772 /nfs/dbraw/zinc/89/07/72/854890772.db2.gz INODTFACLPKQPO-SFHVURJKSA-N 1 0 418.921 4.064 20 10 HICDRO O=C(NCc1ccco1)c1cccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000303459855 854960184 /nfs/dbraw/zinc/96/01/84/854960184.db2.gz LCEVCMLYQGOTEU-HSZRJFAPSA-N 1 0 420.509 4.096 20 10 HICDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1cc(Br)ccc1O ZINC000381411566 855430370 /nfs/dbraw/zinc/43/03/70/855430370.db2.gz XZIOPTKZMMJERN-JMSVASOKSA-N 1 0 401.345 4.497 20 10 HICDRO COCCOc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1 ZINC000435564260 860885403 /nfs/dbraw/zinc/88/54/03/860885403.db2.gz OJDBDHAHHFEALM-UHFFFAOYSA-N 1 0 421.541 4.072 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(C(F)(F)F)CC2)C1 ZINC000435811122 861076834 /nfs/dbraw/zinc/07/68/34/861076834.db2.gz VNJFACULKPUEKK-UHFFFAOYSA-N 1 0 407.480 4.209 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000435875628 861134060 /nfs/dbraw/zinc/13/40/60/861134060.db2.gz DMLKXVVJYKFWJR-LJQANCHMSA-N 1 0 417.553 4.090 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)[C@H]2COc3ccccc32)C1 ZINC000435913424 861175727 /nfs/dbraw/zinc/17/57/27/861175727.db2.gz AUPAVEYBEPSCRY-PGRDOPGGSA-N 1 0 417.553 4.089 20 10 HICDRO Cc1nc2cc(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)ccc2o1 ZINC000443918753 868455157 /nfs/dbraw/zinc/45/51/57/868455157.db2.gz LOIZSDGROHZJPS-UHFFFAOYSA-N 1 0 402.498 4.496 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000471998524 886824290 /nfs/dbraw/zinc/82/42/90/886824290.db2.gz LXNSDBJYCMSPME-PGRDOPGGSA-N 1 0 404.558 4.197 20 10 HICDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472225346 887030279 /nfs/dbraw/zinc/03/02/79/887030279.db2.gz VVWHKVANGWJDON-UHFFFAOYSA-N 1 0 412.500 4.293 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N(CC[NH+](C)C)Cc3ccccc3)ccc21 ZINC000486090941 901280035 /nfs/dbraw/zinc/28/00/35/901280035.db2.gz ADFXFYWPUHVVJB-UHFFFAOYSA-N 1 0 407.558 4.109 20 10 HICDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1 ZINC000486917966 901962749 /nfs/dbraw/zinc/96/27/49/901962749.db2.gz WIWTURGJMLQJSN-UHFFFAOYSA-N 1 0 407.558 4.286 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)ccc21 ZINC000517657880 926765655 /nfs/dbraw/zinc/76/56/55/926765655.db2.gz XEQUPGGXVNSKHE-SFHVURJKSA-N 1 0 407.558 4.155 20 10 HICDRO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000015571932 846065214 /nfs/dbraw/zinc/06/52/14/846065214.db2.gz WKKDVQJXFZJUGK-RDPSFJRHSA-N 1 0 409.574 4.001 20 10 HICDRO COC(=O)c1cc2ccccc2c(C[N@H+](C)CC(=O)Nc2ccccc2Cl)c1O ZINC000016838705 846215851 /nfs/dbraw/zinc/21/58/51/846215851.db2.gz XKMORARKWHAUEV-UHFFFAOYSA-N 1 0 412.873 4.056 20 10 HICDRO COc1ccc2ccc(O)c(C[NH+]3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1 ZINC000025474651 846984012 /nfs/dbraw/zinc/98/40/12/846984012.db2.gz UAUPDYPOALLRIE-UHFFFAOYSA-N 1 0 410.901 4.165 20 10 HICDRO CCC[N@H+](CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)Cc1ccccc1O ZINC000110078766 853057636 /nfs/dbraw/zinc/05/76/36/853057636.db2.gz SVDBJPGVYWHNNU-UHFFFAOYSA-N 1 0 406.526 4.425 20 10 HICDRO CC[N@H+](Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1)C(C)C ZINC000110168680 853068300 /nfs/dbraw/zinc/06/83/00/853068300.db2.gz XDUDOFATEWCNGY-UHFFFAOYSA-N 1 0 409.574 4.026 20 10 HICDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N(C)Cc3ccc(N(C)C)cc3)oc21 ZINC000216762147 853858442 /nfs/dbraw/zinc/85/84/42/853858442.db2.gz ZQABFRYKKGTLKH-KRWDZBQOSA-N 1 0 409.530 4.207 20 10 HICDRO Cc1cc(O)c(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1C ZINC000237862666 854110819 /nfs/dbraw/zinc/11/08/19/854110819.db2.gz WKJZZJNNYBEKPV-IBGZPJMESA-N 1 0 406.448 4.481 20 10 HICDRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000303205207 854816166 /nfs/dbraw/zinc/81/61/66/854816166.db2.gz PLVJISWIVIINDX-UHFFFAOYSA-N 1 0 412.537 4.314 20 10 HICDRO CC1CCN(c2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc2)CC1 ZINC000303412132 854915443 /nfs/dbraw/zinc/91/54/43/854915443.db2.gz VBCJMWFDQSLRQL-JOCHJYFZSA-N 1 0 410.562 4.152 20 10 HICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000303674324 855124441 /nfs/dbraw/zinc/12/44/41/855124441.db2.gz FDWVGCLLSAMCAK-DEOSSOPVSA-N 1 0 407.602 4.304 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000435649252 860934147 /nfs/dbraw/zinc/93/41/47/860934147.db2.gz YVOZAJCTZHDMPN-UHFFFAOYSA-N 1 0 401.432 4.464 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccc3cccnc32)C1 ZINC000435730581 861013729 /nfs/dbraw/zinc/01/37/29/861013729.db2.gz FTVXBORLBJYUCX-UHFFFAOYSA-N 1 0 412.537 4.272 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)C1 ZINC000435862663 861122084 /nfs/dbraw/zinc/12/20/84/861122084.db2.gz PENGDBWYWOSYPD-XMMPIXPASA-N 1 0 421.589 4.045 20 10 HICDRO CC[C@H](c1ccncc1)N(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435872841 861133208 /nfs/dbraw/zinc/13/32/08/861133208.db2.gz RUXXMXKURVVAJW-JOCHJYFZSA-N 1 0 404.558 4.413 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccccc2N(C)C)C1 ZINC000435915700 861176711 /nfs/dbraw/zinc/17/67/11/861176711.db2.gz RNJZHFVFMKHZCE-UHFFFAOYSA-N 1 0 404.558 4.137 20 10 HICDRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444328988 868757723 /nfs/dbraw/zinc/75/77/23/868757723.db2.gz UVGLILWZRUVJIR-QHCPKHFHSA-N 1 0 419.573 4.111 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472115379 886900835 /nfs/dbraw/zinc/90/08/35/886900835.db2.gz NKIKFLRMYSVHKT-PZJWPPBQSA-N 1 0 404.558 4.197 20 10 HICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000475190457 890060905 /nfs/dbraw/zinc/06/09/05/890060905.db2.gz KRYNOYCMEJMVRS-INIZCTEOSA-N 1 0 418.541 4.342 20 10 HICDRO Cc1cc2c(cc1NC(=O)Cn1c3ccccc3c3c1CC[N@@H+](C(C)C)C3)OCO2 ZINC000436023097 861315894 /nfs/dbraw/zinc/31/58/94/861315894.db2.gz NYNWIPFDSSRQDO-UHFFFAOYSA-N 1 0 405.498 4.084 20 10 HICDRO COC1CCC(CCNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000436054750 861341245 /nfs/dbraw/zinc/34/12/45/861341245.db2.gz VGHFLRNOTQIIFU-UHFFFAOYSA-N 1 0 411.590 4.119 20 10 HICDRO COc1ccc(N2CCC[N@H+](Cc3ccc(OCc4cccnc4)cc3)CC2)cc1 ZINC000050960902 849422825 /nfs/dbraw/zinc/42/28/25/849422825.db2.gz PZSXMPAUVOULNL-UHFFFAOYSA-N 1 0 403.526 4.382 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc(O)c(F)c3)no2)C1 ZINC000436878984 862057166 /nfs/dbraw/zinc/05/71/66/862057166.db2.gz LPJCQDNLRHAHRG-UHFFFAOYSA-N 1 0 406.461 4.351 20 10 HICDRO COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1 ZINC000060843394 851228577 /nfs/dbraw/zinc/22/85/77/851228577.db2.gz DOCWSZQGSRQDPY-UHFFFAOYSA-N 1 0 418.537 4.401 20 10 HICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1C ZINC000072001587 852458722 /nfs/dbraw/zinc/45/87/22/852458722.db2.gz IAFUBMUMZSIEQF-OAHLLOKOSA-N 1 0 418.335 4.017 20 10 HICDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)cc1 ZINC000097476993 852615638 /nfs/dbraw/zinc/61/56/38/852615638.db2.gz PBHSUQYKMQZPNG-KRWDZBQOSA-N 1 0 410.493 4.466 20 10 HICDRO COc1ccccc1CNC(=O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000216477314 853854172 /nfs/dbraw/zinc/85/41/72/853854172.db2.gz YZFBOPAQBDWEIO-LJQANCHMSA-N 1 0 404.510 4.280 20 10 HICDRO COc1ccc(CNC(=O)C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)cc1 ZINC000216479501 853854605 /nfs/dbraw/zinc/85/46/05/853854605.db2.gz JZEBZSMFKBFGKE-LJQANCHMSA-N 1 0 404.510 4.280 20 10 HICDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(N(CC)CC)cc3)CC2)cc1 ZINC000236955925 853942204 /nfs/dbraw/zinc/94/22/04/853942204.db2.gz RFWBMAXRGYPKRD-UHFFFAOYSA-N 1 0 409.574 4.326 20 10 HICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000236965628 853943351 /nfs/dbraw/zinc/94/33/51/853943351.db2.gz FKYWQJLZNIKNCX-BGYRXZFFSA-N 1 0 409.574 4.072 20 10 HICDRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237078968 853960948 /nfs/dbraw/zinc/96/09/48/853960948.db2.gz YMEAQWXJVKLHOC-INIZCTEOSA-N 1 0 422.472 4.072 20 10 HICDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000237682575 854075087 /nfs/dbraw/zinc/07/50/87/854075087.db2.gz UFDQPDSKMQNGSG-INIZCTEOSA-N 1 0 402.445 4.338 20 10 HICDRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000255961285 854231926 /nfs/dbraw/zinc/23/19/26/854231926.db2.gz JPBDGRFZNUBGOW-GHTZIAJQSA-N 1 0 422.525 4.339 20 10 HICDRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c2cccs2)CC1 ZINC000302902271 854673272 /nfs/dbraw/zinc/67/32/72/854673272.db2.gz SZJHOPOCYDZQSI-OAQYLSRUSA-N 1 0 414.619 4.429 20 10 HICDRO Cc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000303233854 854828427 /nfs/dbraw/zinc/82/84/27/854828427.db2.gz ZKNGFMKEEPYNME-UHFFFAOYSA-N 1 0 422.598 4.057 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(N3CCCC3)cn2)C1 ZINC000435868473 861129136 /nfs/dbraw/zinc/12/91/36/861129136.db2.gz TVUCSYYOPODQNY-UHFFFAOYSA-N 1 0 417.557 4.042 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2-n2ccnc2)C1 ZINC000443953425 868489462 /nfs/dbraw/zinc/48/94/62/868489462.db2.gz UENLUJOCFBIHQA-UHFFFAOYSA-N 1 0 413.525 4.232 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](c3ccsc3)C2)C1 ZINC000444264186 868705799 /nfs/dbraw/zinc/70/57/99/868705799.db2.gz COJJTRNLFCVKSK-HSZRJFAPSA-N 1 0 423.582 4.069 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000446345915 870256052 /nfs/dbraw/zinc/25/60/52/870256052.db2.gz GTVQSGQKWXBUAE-UHFFFAOYSA-N 1 0 421.589 4.087 20 10 HICDRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3c(C)c4ccccc4n3C)c(C)c2)CC1 ZINC000471127460 885665237 /nfs/dbraw/zinc/66/52/37/885665237.db2.gz NKLXLVSQOJQCSB-UHFFFAOYSA-N 1 0 419.573 4.259 20 10 HICDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472241790 887050545 /nfs/dbraw/zinc/05/05/45/887050545.db2.gz NVNOCTQIWNVDDT-NRFANRHFSA-N 1 0 419.573 4.078 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(OCCC[NH+](C)C)c3)ccc21 ZINC000517649893 926757416 /nfs/dbraw/zinc/75/74/16/926757416.db2.gz QHANEULNGLUDEC-UHFFFAOYSA-N 1 0 423.557 4.487 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(c2ccccc2)[C@@H]2CCOC2)C1 ZINC000436001192 861287998 /nfs/dbraw/zinc/28/79/98/861287998.db2.gz FYSZTKVRNQKSQT-OAQYLSRUSA-N 1 0 417.553 4.230 20 10 HICDRO COCC[C@H]1CCCCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000436007171 861295529 /nfs/dbraw/zinc/29/55/29/861295529.db2.gz WZXXXHUOBYPHEQ-HXUWFJFHSA-N 1 0 411.590 4.073 20 10 HICDRO COCC[C@@H]1CCCCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000436007170 861296462 /nfs/dbraw/zinc/29/64/62/861296462.db2.gz WZXXXHUOBYPHEQ-FQEVSTJZSA-N 1 0 411.590 4.073 20 10 HICDRO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000016386681 846163449 /nfs/dbraw/zinc/16/34/49/846163449.db2.gz FDZRVKYDAKKSNA-GOSISDBHSA-N 1 0 411.546 4.153 20 10 HICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](C(=O)Nc4cccc(C)n4)C3)c2c1 ZINC000047252315 849014570 /nfs/dbraw/zinc/01/45/70/849014570.db2.gz PCWWNIWVMQXZMQ-GOSISDBHSA-N 1 0 405.498 4.108 20 10 HICDRO COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)Nc4ccc(C)cn4)CC3)c2c1 ZINC000054388883 849858156 /nfs/dbraw/zinc/85/81/56/849858156.db2.gz TVFFHGAURYJGBU-UHFFFAOYSA-N 1 0 405.498 4.108 20 10 HICDRO COc1c(Br)cc(Br)cc1C[NH2+]Cc1ccccc1O ZINC000134237451 853372162 /nfs/dbraw/zinc/37/21/62/853372162.db2.gz VIEZUICYGQSIJW-UHFFFAOYSA-N 1 0 401.098 4.216 20 10 HICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000145912148 853560248 /nfs/dbraw/zinc/56/02/48/853560248.db2.gz DBBOENBNOZTURJ-UHFFFAOYSA-N 1 0 408.567 4.406 20 10 HICDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC000216481046 853854336 /nfs/dbraw/zinc/85/43/36/853854336.db2.gz VGRCQROCKRIMBB-SFHVURJKSA-N 1 0 418.493 4.365 20 10 HICDRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)c21 ZINC000236775782 853921440 /nfs/dbraw/zinc/92/14/40/853921440.db2.gz XGMGUFHYVHCBAK-UHFFFAOYSA-N 1 0 423.557 4.111 20 10 HICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1 ZINC000236965809 853943439 /nfs/dbraw/zinc/94/34/39/853943439.db2.gz VHMGYTCDMYUGGQ-UHFFFAOYSA-N 1 0 402.542 4.494 20 10 HICDRO COc1ccccc1/C=C/C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237312042 854004925 /nfs/dbraw/zinc/00/49/25/854004925.db2.gz HZIPTPJFAZUBQT-GQCTYLIASA-N 1 0 406.448 4.354 20 10 HICDRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OCC(F)(F)F ZINC000237392261 854021618 /nfs/dbraw/zinc/02/16/18/854021618.db2.gz ZFESMUGMKNPFFA-MRXNPFEDSA-N 1 0 424.463 4.324 20 10 HICDRO Cc1cc(O)c(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1C ZINC000237824387 854104066 /nfs/dbraw/zinc/10/40/66/854104066.db2.gz OEFDTLVSJPPJIX-UHFFFAOYSA-N 1 0 420.532 4.160 20 10 HICDRO Cc1cc(O)c(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1C ZINC000237861526 854110634 /nfs/dbraw/zinc/11/06/34/854110634.db2.gz COBXBIDPQPUWPY-FQEVSTJZSA-N 1 0 408.464 4.191 20 10 HICDRO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000303924340 855294427 /nfs/dbraw/zinc/29/44/27/855294427.db2.gz WGDXFXLGPKJPKP-HXUWFJFHSA-N 1 0 402.542 4.226 20 10 HICDRO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)n1-c1ccccc1Br ZINC000303961422 855323701 /nfs/dbraw/zinc/32/37/01/855323701.db2.gz WSNCSTUOVCRUSV-LIRRHRJNSA-N 1 0 418.379 4.269 20 10 HICDRO CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000390070076 855453721 /nfs/dbraw/zinc/45/37/21/855453721.db2.gz NJOKLQQYMFFKCQ-MRXNPFEDSA-N 1 0 411.340 4.034 20 10 HICDRO CC(=O)N(C)c1ccccc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435874711 861134663 /nfs/dbraw/zinc/13/46/63/861134663.db2.gz MZXMBJBMNYBCMS-UHFFFAOYSA-N 1 0 418.541 4.029 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCNc2ccccc2)C1 ZINC000444181007 868651633 /nfs/dbraw/zinc/65/16/33/868651633.db2.gz IDXMUAQQNGQOMO-UHFFFAOYSA-N 1 0 404.558 4.026 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)C1 ZINC000444338618 868766594 /nfs/dbraw/zinc/76/65/94/868766594.db2.gz QUUPREMICSMMPS-LJQANCHMSA-N 1 0 419.569 4.203 20 10 HICDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)CC(=O)c2cccs2)C1 ZINC000444342484 868773123 /nfs/dbraw/zinc/77/31/23/868773123.db2.gz XHFIBDBJGWIRDG-QGZVFWFLSA-N 1 0 423.582 4.247 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472115380 886900419 /nfs/dbraw/zinc/90/04/19/886900419.db2.gz NKIKFLRMYSVHKT-TZIWHRDSSA-N 1 0 404.558 4.197 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000472223538 887028614 /nfs/dbraw/zinc/02/86/14/887028614.db2.gz TWWMWMSBWHQNKC-UHFFFAOYSA-N 1 0 414.500 4.038 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(OCC[NH+](C)C)c3)ccc21 ZINC000482987035 898628565 /nfs/dbraw/zinc/62/85/65/898628565.db2.gz NRSAHZLUIFUFSQ-UHFFFAOYSA-N 1 0 409.530 4.097 20 10 HICDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1ccco1 ZINC000517255344 924062800 /nfs/dbraw/zinc/06/28/00/924062800.db2.gz FRZIAPVASKDCON-KKSFZXQISA-N 1 0 411.546 4.357 20 10 HICDRO COCCc1ccccc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435999065 861283756 /nfs/dbraw/zinc/28/37/56/861283756.db2.gz HMLMWCFUKDDPTQ-UHFFFAOYSA-N 1 0 405.542 4.235 20 10 HICDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000048745164 849261985 /nfs/dbraw/zinc/26/19/85/849261985.db2.gz VJMSGDUXIQMMAH-UHFFFAOYSA-N 1 0 416.447 4.018 20 10 HICDRO COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000058476908 850834426 /nfs/dbraw/zinc/83/44/26/850834426.db2.gz UDSFHDNGKPXENC-UHFFFAOYSA-N 1 0 403.526 4.341 20 10 HICDRO COc1ccc(N2CCC[N@H+](Cc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 ZINC000108090610 852822243 /nfs/dbraw/zinc/82/22/43/852822243.db2.gz MBOAFMNPGIFLPP-UHFFFAOYSA-N 1 0 402.922 4.222 20 10 HICDRO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c(C)n1-c1ccc(Br)cc1 ZINC000111104135 853201983 /nfs/dbraw/zinc/20/19/83/853201983.db2.gz XELUSCVNZHWEOL-SFHVURJKSA-N 1 0 404.352 4.023 20 10 HICDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)c2)c1 ZINC000139985689 853429075 /nfs/dbraw/zinc/42/90/75/853429075.db2.gz SXZXLSYBBRWCQA-UHFFFAOYSA-N 1 0 413.521 4.264 20 10 HICDRO Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000216688450 853857701 /nfs/dbraw/zinc/85/77/01/853857701.db2.gz VTDLVIIGHMMJMU-UHFFFAOYSA-N 1 0 407.489 4.318 20 10 HICDRO CCOc1cccc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1O ZINC000236924884 853938447 /nfs/dbraw/zinc/93/84/47/853938447.db2.gz LTXUHHFQDHMJBQ-SFHVURJKSA-N 1 0 422.447 4.263 20 10 HICDRO COCCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000237067606 853959606 /nfs/dbraw/zinc/95/96/06/853959606.db2.gz DNZAKJGIAHGPSF-GOSISDBHSA-N 1 0 406.473 4.072 20 10 HICDRO CN(C)c1ccc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000237133234 853969847 /nfs/dbraw/zinc/96/98/47/853969847.db2.gz OXXJQCHCRHUEDU-HXUWFJFHSA-N 1 0 405.464 4.225 20 10 HICDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000237382506 854018419 /nfs/dbraw/zinc/01/84/19/854018419.db2.gz UIHSNUYWRCZQNN-OAHLLOKOSA-N 1 0 422.456 4.292 20 10 HICDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(OC)c1OC ZINC000237427646 854030502 /nfs/dbraw/zinc/03/05/02/854030502.db2.gz AQOHOPRAUOYFAF-INIZCTEOSA-N 1 0 422.472 4.072 20 10 HICDRO COc1ccc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1C ZINC000237546498 854052181 /nfs/dbraw/zinc/05/21/81/854052181.db2.gz IFZCFTFQEFOVCX-UHFFFAOYSA-N 1 0 420.532 4.154 20 10 HICDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3cc(C)ccc3O)cc2)cc1 ZINC000237681852 854075147 /nfs/dbraw/zinc/07/51/47/854075147.db2.gz KVSSNODUEBZVAB-UHFFFAOYSA-N 1 0 404.510 4.359 20 10 HICDRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000255961286 854231773 /nfs/dbraw/zinc/23/17/73/854231773.db2.gz JPBDGRFZNUBGOW-WIYYLYMNSA-N 1 0 422.525 4.339 20 10 HICDRO CC1CCN(c2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2)CC1 ZINC000303412134 854915378 /nfs/dbraw/zinc/91/53/78/854915378.db2.gz VBCJMWFDQSLRQL-QFIPXVFZSA-N 1 0 410.562 4.152 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)c3cccc(C)c3C)cc2F)CC1 ZINC000303680461 855128969 /nfs/dbraw/zinc/12/89/69/855128969.db2.gz KCNAUATWJZAYJW-LJQANCHMSA-N 1 0 412.553 4.145 20 10 HICDRO CC(=O)Nc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)ccc1F ZINC000435637870 860929387 /nfs/dbraw/zinc/92/93/87/860929387.db2.gz QGYVVUPFLSYNRB-UHFFFAOYSA-N 1 0 422.504 4.144 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2c2cccnc2)C1 ZINC000435664726 860943462 /nfs/dbraw/zinc/94/34/62/860943462.db2.gz NNWCOQSTZNDCMR-QFIPXVFZSA-N 1 0 402.542 4.167 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-c3ncon3)cc2)C1 ZINC000435716449 860999954 /nfs/dbraw/zinc/99/99/54/860999954.db2.gz GCUYUKOFJOJVBE-UHFFFAOYSA-N 1 0 415.497 4.097 20 10 HICDRO Cc1cn2cc(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)ccc2n1 ZINC000435735514 861016580 /nfs/dbraw/zinc/01/65/80/861016580.db2.gz NNGPSUIQMPBKIX-UHFFFAOYSA-N 1 0 401.514 4.003 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000435819984 861085110 /nfs/dbraw/zinc/08/51/10/861085110.db2.gz ZFTFETLYGQHMPP-UHFFFAOYSA-N 1 0 401.432 4.464 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@](C)(C2CC2)C(F)(F)F)C1 ZINC000435826956 861091895 /nfs/dbraw/zinc/09/18/95/861091895.db2.gz PUKYKGDNXNKOMI-OAQYLSRUSA-N 1 0 407.480 4.255 20 10 HICDRO CCc1cnccc1[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444262297 868704404 /nfs/dbraw/zinc/70/44/04/868704404.db2.gz AHPOMKBYGUONGM-GOSISDBHSA-N 1 0 404.558 4.243 20 10 HICDRO Cc1c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cnn1CC(C)C ZINC000444265396 868706007 /nfs/dbraw/zinc/70/60/07/868706007.db2.gz AWGYEIMZDRPBCH-UHFFFAOYSA-N 1 0 407.562 4.207 20 10 HICDRO Cc1n[nH]c2cc(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)ccc12 ZINC000444352751 868781180 /nfs/dbraw/zinc/78/11/80/868781180.db2.gz PWYJKCUEASHVHX-UHFFFAOYSA-N 1 0 401.514 4.231 20 10 HICDRO Cc1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)nc2c1CCCC2 ZINC000463238518 876295608 /nfs/dbraw/zinc/29/56/08/876295608.db2.gz QXQRTNJGKGCMDA-UHFFFAOYSA-N 1 0 417.557 4.024 20 10 HICDRO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)[C@H]1CCOC(C)(C)C1 ZINC000464689475 877902474 /nfs/dbraw/zinc/90/24/74/877902474.db2.gz KFUXHPAWVNQBIG-IBGZPJMESA-N 1 0 411.590 4.214 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc3ncccc3c2)C1 ZINC000471524316 886227883 /nfs/dbraw/zinc/22/78/83/886227883.db2.gz XQGVJVNAOYAXJX-UHFFFAOYSA-N 1 0 412.537 4.272 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000471998525 886824421 /nfs/dbraw/zinc/82/44/21/886824421.db2.gz LXNSDBJYCMSPME-XMSQKQJNSA-N 1 0 404.558 4.197 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000472238475 887045710 /nfs/dbraw/zinc/04/57/10/887045710.db2.gz GCEMUYXNXICOIE-UHFFFAOYSA-N 1 0 419.573 4.330 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NCc3ccccc3C[NH+]3CCCC3)ccc21 ZINC000484905397 900284361 /nfs/dbraw/zinc/28/43/61/900284361.db2.gz OBWNEOHVUJWUBQ-UHFFFAOYSA-N 1 0 419.569 4.430 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C)o3)ccc21 ZINC000486116280 901302468 /nfs/dbraw/zinc/30/24/68/901302468.db2.gz DRFHBBZPFWAPTE-UHFFFAOYSA-N 1 0 411.546 4.010 20 10 HICDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1ccco1 ZINC000517255343 924062517 /nfs/dbraw/zinc/06/25/17/924062517.db2.gz FRZIAPVASKDCON-IIBYNOLFSA-N 1 0 411.546 4.357 20 10 HICDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1ccco1 ZINC000517255341 924063066 /nfs/dbraw/zinc/06/30/66/924063066.db2.gz FRZIAPVASKDCON-HRAATJIYSA-N 1 0 411.546 4.357 20 10 HICDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000007219215 845287038 /nfs/dbraw/zinc/28/70/38/845287038.db2.gz MCJNPWMZDFWQIY-LJQANCHMSA-N 1 0 422.598 4.200 20 10 HICDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000010224743 845633987 /nfs/dbraw/zinc/63/39/87/845633987.db2.gz UWEMJAPMEBVIBZ-UHFFFAOYSA-N 1 0 404.558 4.072 20 10 HICDRO CN(C)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1F ZINC000058474794 850834454 /nfs/dbraw/zinc/83/44/54/850834454.db2.gz CPSUTHUJPRGOEH-UHFFFAOYSA-N 1 0 401.489 4.429 20 10 HICDRO O=C(NCc1ccc(N2CCCC2)cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061021638 851275970 /nfs/dbraw/zinc/27/59/70/851275970.db2.gz BLSDCRGOOGILAX-UHFFFAOYSA-N 1 0 412.603 4.060 20 10 HICDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(C)n1-c1cccc(Br)c1 ZINC000109986174 853042094 /nfs/dbraw/zinc/04/20/94/853042094.db2.gz DNAZVROSNMAQMU-QGZVFWFLSA-N 1 0 418.379 4.317 20 10 HICDRO CC1CCN(c2ccc(C[NH2+]Cc3ccccc3OCC(=O)N3CCCC3)cc2)CC1 ZINC000236735175 853917525 /nfs/dbraw/zinc/91/75/25/853917525.db2.gz DWFDIRDXPASIHF-UHFFFAOYSA-N 1 0 421.585 4.214 20 10 HICDRO CCOc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OC ZINC000237000877 853949093 /nfs/dbraw/zinc/94/90/93/853949093.db2.gz XXIZHVBUVJHUGG-UHFFFAOYSA-N 1 0 424.463 4.239 20 10 HICDRO COCCOc1cccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000237070433 853959805 /nfs/dbraw/zinc/95/98/05/853959805.db2.gz DNZAKJGIAHGPSF-SFHVURJKSA-N 1 0 406.473 4.072 20 10 HICDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000237787107 854097353 /nfs/dbraw/zinc/09/73/53/854097353.db2.gz FSUSASPJBUKCIV-UHFFFAOYSA-N 1 0 409.408 4.048 20 10 HICDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH]nc3-c3cccs3)C2)cc1 ZINC000237914464 854119062 /nfs/dbraw/zinc/11/90/62/854119062.db2.gz QUPMISWOMJFMRA-OAHLLOKOSA-N 1 0 404.486 4.498 20 10 HICDRO Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)c(C)n1-c1ccccc1Br ZINC000303015428 854723496 /nfs/dbraw/zinc/72/34/96/854723496.db2.gz YEERXUJPZOYHCH-UHFFFAOYSA-N 1 0 418.379 4.459 20 10 HICDRO Cc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c(C)n1-c1ccccn1 ZINC000303076447 854749475 /nfs/dbraw/zinc/74/94/75/854749475.db2.gz ZJLYBVKQAWMDCH-QHCPKHFHSA-N 1 0 402.542 4.364 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(SC(F)F)cc3)cc2F)CC1 ZINC000303300368 854860034 /nfs/dbraw/zinc/86/00/34/854860034.db2.gz MRKOOXCSILEGQU-UHFFFAOYSA-N 1 0 423.504 4.212 20 10 HICDRO CC1CCN(c2ccc(CNC(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000303425199 854927052 /nfs/dbraw/zinc/92/70/52/854927052.db2.gz ZKMUQZHHVWOHOE-NRFANRHFSA-N 1 0 400.611 4.234 20 10 HICDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@@H](C)C1 ZINC000303677951 855126006 /nfs/dbraw/zinc/12/60/06/855126006.db2.gz JJKBMEUDDLLHPH-GAJHUEQPSA-N 1 0 415.553 4.100 20 10 HICDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[C@H](C)C1 ZINC000303710728 855145601 /nfs/dbraw/zinc/14/56/01/855145601.db2.gz PTJVXEDASCDLDC-AUSIDOKSSA-N 1 0 411.590 4.269 20 10 HICDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[C@H](C)C1 ZINC000303740010 855164778 /nfs/dbraw/zinc/16/47/78/855164778.db2.gz YECVEGNFUYBREP-NTKDMRAZSA-N 1 0 411.590 4.269 20 10 HICDRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)n1-c1ccccc1Br ZINC000303961416 855323435 /nfs/dbraw/zinc/32/34/35/855323435.db2.gz WSNCSTUOVCRUSV-AUUYWEPGSA-N 1 0 418.379 4.269 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccnn2[C@H](C)C2CC2)C1 ZINC000435662125 860942153 /nfs/dbraw/zinc/94/21/53/860942153.db2.gz CCQHPLSHJYMIAW-QGZVFWFLSA-N 1 0 405.546 4.214 20 10 HICDRO CC(=O)Nc1ccc(C)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435732773 861014908 /nfs/dbraw/zinc/01/49/08/861014908.db2.gz QPMQDWQUIVCGNI-UHFFFAOYSA-N 1 0 418.541 4.313 20 10 HICDRO CCOc1ccc(OC)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435877634 861136182 /nfs/dbraw/zinc/13/61/82/861136182.db2.gz SUDCYMJAWNVNNR-UHFFFAOYSA-N 1 0 421.541 4.454 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cc3ccccc3[nH]2)C1 ZINC000444144038 868637724 /nfs/dbraw/zinc/63/77/24/868637724.db2.gz RTSFEGIJGDIXEL-UHFFFAOYSA-N 1 0 400.526 4.206 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)ccc21 ZINC000484932453 900304697 /nfs/dbraw/zinc/30/46/97/900304697.db2.gz HHXGMGNZWXVRSD-HSZRJFAPSA-N 1 0 411.521 4.076 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)ccc21 ZINC000484938376 900309541 /nfs/dbraw/zinc/30/95/41/900309541.db2.gz XZVHZCRZLAECJE-UHFFFAOYSA-N 1 0 419.569 4.253 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2ccc3[nH]ccc3c2)C1 ZINC000508194135 917015551 /nfs/dbraw/zinc/01/55/51/917015551.db2.gz SRNKXOVSWVXNHA-UHFFFAOYSA-N 1 0 414.553 4.248 20 10 HICDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000544050109 940310989 /nfs/dbraw/zinc/31/09/89/940310989.db2.gz PVKJWBRYYGCPAZ-UHFFFAOYSA-N 1 0 415.537 4.424 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3n[nH]c4ccccc43)no2)C1 ZINC000554810711 942252603 /nfs/dbraw/zinc/25/26/03/942252603.db2.gz VIPUJXWBPIRNQB-UHFFFAOYSA-N 1 0 412.497 4.382 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000565400386 945826328 /nfs/dbraw/zinc/82/63/28/945826328.db2.gz JHCZWSAJSJQQSY-UHFFFAOYSA-N 1 0 423.601 4.073 20 10 HICDRO COc1cccc([C@@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)[NH+]2CCCC2)c1 ZINC000107909445 852807609 /nfs/dbraw/zinc/80/76/09/852807609.db2.gz VLLFBGFSPIMRCE-HSZRJFAPSA-N 1 0 418.541 4.065 20 10 HICDRO Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c(C)n1-c1ccccn1 ZINC000109528735 852980478 /nfs/dbraw/zinc/98/04/78/852980478.db2.gz SYOOWTWQSZJULU-UHFFFAOYSA-N 1 0 420.582 4.333 20 10 HICDRO CCC[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1ccccc1O ZINC000110085494 853058897 /nfs/dbraw/zinc/05/88/97/853058897.db2.gz AQJXAABYZOQDFV-UHFFFAOYSA-N 1 0 412.921 4.141 20 10 HICDRO CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000110461542 853103454 /nfs/dbraw/zinc/10/34/54/853103454.db2.gz GMYGXGIOCALGQN-DEOSSOPVSA-N 1 0 424.589 4.046 20 10 HICDRO COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(-c2ccccc2)cc1OC ZINC000139988366 853429637 /nfs/dbraw/zinc/42/96/37/853429637.db2.gz JSQIWFYCUHLAPP-UHFFFAOYSA-N 1 0 418.537 4.497 20 10 HICDRO Cc1cc(C(=O)N(C)C2CC[NH+](C)CC2)c(C)n1-c1ccccc1Br ZINC000195536772 853671420 /nfs/dbraw/zinc/67/14/20/853671420.db2.gz AZUHZZAPCFEAMX-UHFFFAOYSA-N 1 0 404.352 4.023 20 10 HICDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N(C)Cc3ccc(N(C)C)cc3)oc21 ZINC000216762104 853858688 /nfs/dbraw/zinc/85/86/88/853858688.db2.gz ZQABFRYKKGTLKH-QGZVFWFLSA-N 1 0 409.530 4.207 20 10 HICDRO CCOc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c1O ZINC000236991919 853948317 /nfs/dbraw/zinc/94/83/17/853948317.db2.gz WXDAKJOQFVQQAN-UHFFFAOYSA-N 1 0 400.482 4.328 20 10 HICDRO CN1CCCc2cc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ccc21 ZINC000303426000 854928196 /nfs/dbraw/zinc/92/81/96/854928196.db2.gz AQINYUBBBRVYLZ-CWAQXLGLSA-N 1 0 418.585 4.064 20 10 HICDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000303630184 855088444 /nfs/dbraw/zinc/08/84/44/855088444.db2.gz FQCNUOFQBYSRAF-IBGZPJMESA-N 1 0 406.574 4.094 20 10 HICDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[C@@H](C)C1 ZINC000303740012 855165086 /nfs/dbraw/zinc/16/50/86/855165086.db2.gz YECVEGNFUYBREP-YADARESESA-N 1 0 411.590 4.269 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000435863299 861123235 /nfs/dbraw/zinc/12/32/35/861123235.db2.gz VSEINBIGGQYIJD-NRFANRHFSA-N 1 0 421.516 4.187 20 10 HICDRO Cc1cc([C@@H]2CCCN2C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)on1 ZINC000444033500 868566647 /nfs/dbraw/zinc/56/66/47/868566647.db2.gz SCXCDJFZLSPNGD-QFIPXVFZSA-N 1 0 406.530 4.068 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2c[nH]nc2-c2ccccc2)C1 ZINC000444342742 868772799 /nfs/dbraw/zinc/77/27/99/868772799.db2.gz XZCAQWWCUOKZDN-UHFFFAOYSA-N 1 0 413.525 4.437 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000472071878 886876369 /nfs/dbraw/zinc/87/63/69/886876369.db2.gz BTPYXEXSQLNESC-GHTZIAJQSA-N 1 0 404.558 4.339 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000472230319 887036124 /nfs/dbraw/zinc/03/61/24/887036124.db2.gz CHMKCPJQGQOJHU-UHFFFAOYSA-N 1 0 404.558 4.293 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000475299213 890205980 /nfs/dbraw/zinc/20/59/80/890205980.db2.gz RRIHVZTXQXGRKN-QHCPKHFHSA-N 1 0 419.569 4.251 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2cnc3ccccc3n2)C1 ZINC000484895044 900277909 /nfs/dbraw/zinc/27/79/09/900277909.db2.gz MDUYLHHFPHWGAE-UHFFFAOYSA-N 1 0 413.525 4.014 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)ccc21 ZINC000484958678 900323488 /nfs/dbraw/zinc/32/34/88/900323488.db2.gz KZNOBOKJUMACSB-RUZDIDTESA-N 1 0 419.569 4.471 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)C1 ZINC000557378216 943093267 /nfs/dbraw/zinc/09/32/67/943093267.db2.gz WYSMSPXKCIHWTQ-VWLOTQADSA-N 1 0 416.569 4.413 20 10 HICDRO COCC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1ccc(C)o1 ZINC000436025587 861319493 /nfs/dbraw/zinc/31/94/93/861319493.db2.gz WNJVLMZDYIGJHH-NRFANRHFSA-N 1 0 423.557 4.203 20 10 HICDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)ccc1OCc1ccncc1 ZINC000058476997 850834578 /nfs/dbraw/zinc/83/45/78/850834578.db2.gz VFENKLOJDHFADU-UHFFFAOYSA-N 1 0 403.526 4.341 20 10 HICDRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000145606512 853554135 /nfs/dbraw/zinc/55/41/35/853554135.db2.gz PXUMYSWMJXVNMO-HXUWFJFHSA-N 1 0 407.558 4.000 20 10 HICDRO Cc1cc(C(=O)N(C)C2CC[NH+](C)CC2)c(C)n1-c1cccc(Br)c1 ZINC000195536771 853671289 /nfs/dbraw/zinc/67/12/89/853671289.db2.gz KGKVUKRDJDVCCC-UHFFFAOYSA-N 1 0 404.352 4.023 20 10 HICDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000195560836 853683847 /nfs/dbraw/zinc/68/38/47/853683847.db2.gz GXKWUXTWQOEZDE-FQEVSTJZSA-N 1 0 400.592 4.231 20 10 HICDRO CCOc1cccc(C[NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1O ZINC000236917269 853937034 /nfs/dbraw/zinc/93/70/34/853937034.db2.gz DIDUQVBCWRXICU-UHFFFAOYSA-N 1 0 404.510 4.319 20 10 HICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000236965560 853942963 /nfs/dbraw/zinc/94/29/63/853942963.db2.gz FKYWQJLZNIKNCX-PMACEKPBSA-N 1 0 409.574 4.072 20 10 HICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000236971089 853944319 /nfs/dbraw/zinc/94/43/19/853944319.db2.gz HAOWZZKPSJQRDX-UHFFFAOYSA-N 1 0 403.574 4.363 20 10 HICDRO Cc1ccc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237131803 853969591 /nfs/dbraw/zinc/96/95/91/853969591.db2.gz STJDOXNOSJWKJR-DEOSSOPVSA-N 1 0 408.567 4.344 20 10 HICDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)cc2)C[C@@H](C)O1 ZINC000237559221 854054625 /nfs/dbraw/zinc/05/46/25/854054625.db2.gz RQVKYJFRADWZEV-NHCUHLMSSA-N 1 0 421.585 4.216 20 10 HICDRO O=C(Nc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1)c1ccc(F)cc1 ZINC000237819166 854103100 /nfs/dbraw/zinc/10/31/00/854103100.db2.gz ROUCCFDFVOBLIJ-UHFFFAOYSA-N 1 0 419.500 4.204 20 10 HICDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000237828553 854104612 /nfs/dbraw/zinc/10/46/12/854104612.db2.gz VEXAGPVNDFHXGO-UHFFFAOYSA-N 1 0 422.476 4.283 20 10 HICDRO Cc1cc(N(C)C)ccc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435545163 860860202 /nfs/dbraw/zinc/86/02/02/860860202.db2.gz IMUOOWZFIJKSKN-UHFFFAOYSA-N 1 0 404.558 4.421 20 10 HICDRO COc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c(OC)c1 ZINC000435655855 860937381 /nfs/dbraw/zinc/93/73/81/860937381.db2.gz PENMYKPERAGBLG-UHFFFAOYSA-N 1 0 407.514 4.064 20 10 HICDRO Cc1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc(C2CC2)n1 ZINC000435908715 861169530 /nfs/dbraw/zinc/16/95/30/861169530.db2.gz PQLPPFIXNDORHR-UHFFFAOYSA-N 1 0 403.530 4.022 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOC3(CCCC3)C2)C1 ZINC000435911791 861174300 /nfs/dbraw/zinc/17/43/00/861174300.db2.gz PMRCTHYDMYXRKQ-IBGZPJMESA-N 1 0 409.574 4.016 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](c3ccsc3)C2)C1 ZINC000444264189 868706119 /nfs/dbraw/zinc/70/61/19/868706119.db2.gz COJJTRNLFCVKSK-QHCPKHFHSA-N 1 0 423.582 4.069 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H](C)c2cccc(O)c2)C1 ZINC000444296290 868726578 /nfs/dbraw/zinc/72/65/78/868726578.db2.gz QBEAFJIRYBCLHY-GOSISDBHSA-N 1 0 405.542 4.333 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472115378 886899918 /nfs/dbraw/zinc/89/99/18/886899918.db2.gz NKIKFLRMYSVHKT-FPOVZHCZSA-N 1 0 404.558 4.197 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000482440702 898001264 /nfs/dbraw/zinc/00/12/64/898001264.db2.gz YRKHPHGXNZLMPA-UHFFFAOYSA-N 1 0 419.569 4.299 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)ccc21 ZINC000484958679 900323150 /nfs/dbraw/zinc/32/31/50/900323150.db2.gz KZNOBOKJUMACSB-VWLOTQADSA-N 1 0 419.569 4.471 20 10 HICDRO Cc1c2ccccc2n(C)c1CNc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000490041497 903738167 /nfs/dbraw/zinc/73/81/67/903738167.db2.gz SAWWZCLEXXRMFT-OAQYLSRUSA-N 1 0 404.558 4.265 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)ccc21 ZINC000510790368 919258281 /nfs/dbraw/zinc/25/82/81/919258281.db2.gz AJVWMZSJVSICEW-RXVVDRJESA-N 1 0 411.590 4.287 20 10 HICDRO COc1cccc(Cc2noc(Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)c1 ZINC000571801801 947789371 /nfs/dbraw/zinc/78/93/71/947789371.db2.gz SNXYFPSGQQWNHC-UHFFFAOYSA-N 1 0 416.525 4.439 20 10 HICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccn2)c1 ZINC000048751532 849264650 /nfs/dbraw/zinc/26/46/50/849264650.db2.gz RZEPFPBLVPFUEU-HXUWFJFHSA-N 1 0 403.526 4.348 20 10 HICDRO O=C(Nc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1)c1ccc(F)cc1 ZINC000048781045 849267470 /nfs/dbraw/zinc/26/74/70/849267470.db2.gz KIWCAJOJWCMLRR-UHFFFAOYSA-N 1 0 419.500 4.204 20 10 HICDRO COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccc(N(C)C)c(F)c3)c2)cc1 ZINC000058474889 850834670 /nfs/dbraw/zinc/83/46/70/850834670.db2.gz QHOBTIHSKPWNQU-UHFFFAOYSA-N 1 0 407.489 4.442 20 10 HICDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc4ccccc4c3)CC2)cc1 ZINC000096997336 852572043 /nfs/dbraw/zinc/57/20/43/852572043.db2.gz BGHPGUJHEIUDAR-UHFFFAOYSA-N 1 0 418.541 4.182 20 10 HICDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)cc1 ZINC000097476992 852615924 /nfs/dbraw/zinc/61/59/24/852615924.db2.gz PBHSUQYKMQZPNG-QGZVFWFLSA-N 1 0 410.493 4.466 20 10 HICDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3cc(C)c(C)cc3O)c2)cc1 ZINC000237475611 854040895 /nfs/dbraw/zinc/04/08/95/854040895.db2.gz VNKMEJQJTYCMTJ-UHFFFAOYSA-N 1 0 420.509 4.439 20 10 HICDRO Cc1ccc(O)c(C[NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c1 ZINC000237767804 854092921 /nfs/dbraw/zinc/09/29/21/854092921.db2.gz KFZMUEAOJGHXEZ-JOCHJYFZSA-N 1 0 417.477 4.262 20 10 HICDRO Cc1cn2c(C[NH2+]Cc3ccc(N4CCOCC4)cc3C(F)(F)F)c(C)nc2s1 ZINC000237921686 854119836 /nfs/dbraw/zinc/11/98/36/854119836.db2.gz YHUXTWKVVPIKFZ-UHFFFAOYSA-N 1 0 424.492 4.158 20 10 HICDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(CSC(F)F)o3)cc2F)CC1 ZINC000238155387 854148296 /nfs/dbraw/zinc/14/82/96/854148296.db2.gz OPTILIBSBRRYKD-UHFFFAOYSA-N 1 0 400.466 4.125 20 10 HICDRO Cc1cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c(C)n1-c1ccccn1 ZINC000303076446 854749727 /nfs/dbraw/zinc/74/97/27/854749727.db2.gz ZJLYBVKQAWMDCH-HSZRJFAPSA-N 1 0 402.542 4.364 20 10 HICDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)n1-c1ccccn1 ZINC000303668634 855120252 /nfs/dbraw/zinc/12/02/52/855120252.db2.gz ONZVKZXSQALFLK-IBGZPJMESA-N 1 0 402.542 4.445 20 10 HICDRO CC[C@H]([NH2+]CCCn1cc(Br)cn1)c1cc(Br)ccc1O ZINC000314010422 855374918 /nfs/dbraw/zinc/37/49/18/855374918.db2.gz FDRJFMDOHOINLI-AWEZNQCLSA-N 1 0 417.145 4.245 20 10 HICDRO CC(=O)Nc1ccc(F)c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000435611556 860915530 /nfs/dbraw/zinc/91/55/30/860915530.db2.gz BMECNSYAYKRWRT-UHFFFAOYSA-N 1 0 422.504 4.144 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-c3nnco3)c2)C1 ZINC000435618619 860922313 /nfs/dbraw/zinc/92/23/13/860922313.db2.gz QWOOTDYTRNLZMZ-UHFFFAOYSA-N 1 0 415.497 4.097 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(OC3CCCC3)CC2)C1 ZINC000435683421 860964771 /nfs/dbraw/zinc/96/47/71/860964771.db2.gz PNIOOEMFGOGXTK-UHFFFAOYSA-N 1 0 423.601 4.358 20 10 HICDRO CCCCOC1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000435819201 861083902 /nfs/dbraw/zinc/08/39/02/861083902.db2.gz PYAJQDTXYHVKJD-UHFFFAOYSA-N 1 0 411.590 4.216 20 10 HICDRO CC[C@@H](c1ccncc1)N(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435872842 861132987 /nfs/dbraw/zinc/13/29/87/861132987.db2.gz RUXXMXKURVVAJW-QFIPXVFZSA-N 1 0 404.558 4.413 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](c3cccs3)C2)C1 ZINC000444273446 868710242 /nfs/dbraw/zinc/71/02/42/868710242.db2.gz PEMYCKMWZQQSIL-QFIPXVFZSA-N 1 0 423.582 4.069 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC=C(C(F)(F)F)CC2)C1 ZINC000444331625 868756295 /nfs/dbraw/zinc/75/62/95/868756295.db2.gz PZMHTWWSBHBNPL-UHFFFAOYSA-N 1 0 405.464 4.129 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCc3cccc(O)c32)C1 ZINC000444341171 868770929 /nfs/dbraw/zinc/77/09/29/868770929.db2.gz KDSHFZIUMCCAJE-UHFFFAOYSA-N 1 0 403.526 4.093 20 10 HICDRO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)[C@@H]1CCOC(C)(C)C1 ZINC000464689476 877902842 /nfs/dbraw/zinc/90/28/42/877902842.db2.gz KFUXHPAWVNQBIG-LJQANCHMSA-N 1 0 411.590 4.214 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000482542375 898129772 /nfs/dbraw/zinc/12/97/72/898129772.db2.gz GOHLDIWOTOLJTE-SFHVURJKSA-N 1 0 419.569 4.081 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)ccc21 ZINC000483467207 899108981 /nfs/dbraw/zinc/10/89/81/899108981.db2.gz HRBRIQQOISDTGG-NFBKMPQASA-N 1 0 419.569 4.470 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCC(F)(F)C2)C1 ZINC000499578304 908846298 /nfs/dbraw/zinc/84/62/98/908846298.db2.gz ZHWQUZFGRUEXIF-QGZVFWFLSA-N 1 0 403.517 4.350 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc([C@@H](C)c3ccncc3)no2)C1 ZINC000572284305 947875723 /nfs/dbraw/zinc/87/57/23/947875723.db2.gz FRMNJUKYPVNVAO-KRWDZBQOSA-N 1 0 401.514 4.386 20 10 HICDRO CCc1cccnc1-c1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000575904871 948769477 /nfs/dbraw/zinc/76/94/77/948769477.db2.gz SHYBRMUEJDXBLS-UHFFFAOYSA-N 1 0 401.514 4.464 20 10 HICDRO COCC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1ccc(C)o1 ZINC000436025588 861320005 /nfs/dbraw/zinc/32/00/05/861320005.db2.gz WNJVLMZDYIGJHH-OAQYLSRUSA-N 1 0 423.557 4.203 20 10 HICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000026310996 847122979 /nfs/dbraw/zinc/12/29/79/847122979.db2.gz MTNHLPXMSMIJKG-LJQANCHMSA-N 1 0 417.619 4.414 20 10 HICDRO O=C(Nc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1)c1cccc(F)c1 ZINC000048781455 849267023 /nfs/dbraw/zinc/26/70/23/849267023.db2.gz UTPASMTYHWQDOV-UHFFFAOYSA-N 1 0 419.500 4.204 20 10 HICDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000060063938 851036935 /nfs/dbraw/zinc/03/69/35/851036935.db2.gz SBLRGRKAQAFCBH-FQEVSTJZSA-N 1 0 409.486 4.127 20 10 HICDRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000064229988 851852774 /nfs/dbraw/zinc/85/27/74/851852774.db2.gz XQYWNSPJNNWREQ-UHFFFAOYSA-N 1 0 408.590 4.470 20 10 HICDRO Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)c(C)n1-c1cccc(Br)c1 ZINC000108415822 852848059 /nfs/dbraw/zinc/84/80/59/852848059.db2.gz OWWAPJAZLAJFME-UHFFFAOYSA-N 1 0 418.379 4.459 20 10 HICDRO CCC[N@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccccc1O ZINC000110990046 853181147 /nfs/dbraw/zinc/18/11/47/853181147.db2.gz OYLWTOLJCLBZCB-UHFFFAOYSA-N 1 0 406.530 4.436 20 10 HICDRO COc1cc(-c2noc(CCCCC[NH2+]Cc3cc(C)c(C)cc3O)n2)ccc1O ZINC000237402312 854024660 /nfs/dbraw/zinc/02/46/60/854024660.db2.gz VVQQWIIBZDJFAW-UHFFFAOYSA-N 1 0 411.502 4.276 20 10 HICDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)cc2)C[C@H](C)O1 ZINC000237763092 854091736 /nfs/dbraw/zinc/09/17/36/854091736.db2.gz RQVKYJFRADWZEV-OYRHEFFESA-N 1 0 421.585 4.216 20 10 HICDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3c[nH]nc3-c3cccs3)C2)cc1 ZINC000237916743 854119112 /nfs/dbraw/zinc/11/91/12/854119112.db2.gz QUPMISWOMJFMRA-HNNXBMFYSA-N 1 0 404.486 4.498 20 10 HICDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000302890282 854668458 /nfs/dbraw/zinc/66/84/58/854668458.db2.gz CYBBZFXPSGVHGF-HXUWFJFHSA-N 1 0 400.592 4.183 20 10 HICDRO Cc1ccc([C@H](CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[NH+]2CCCC2)o1 ZINC000303211521 854818592 /nfs/dbraw/zinc/81/85/92/854818592.db2.gz RMAYFOUGYMVRJO-QHCPKHFHSA-N 1 0 416.525 4.434 20 10 HICDRO O=C(c1cccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1)N1CCCCC1 ZINC000303394572 854906671 /nfs/dbraw/zinc/90/66/71/854906671.db2.gz QISVKZLODVLNLW-HSZRJFAPSA-N 1 0 408.542 4.200 20 10 HICDRO CC1CCN(c2ccc(CNC(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000303425200 854927191 /nfs/dbraw/zinc/92/71/91/854927191.db2.gz ZKMUQZHHVWOHOE-OAQYLSRUSA-N 1 0 400.611 4.234 20 10 HICDRO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(C)n1-c1ccccc1Br ZINC000303961420 855323230 /nfs/dbraw/zinc/32/32/30/855323230.db2.gz WSNCSTUOVCRUSV-KUHUBIRLSA-N 1 0 418.379 4.269 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-c3nnco3)cc2)C1 ZINC000435633113 860927408 /nfs/dbraw/zinc/92/74/08/860927408.db2.gz VUSFQELCOYMTSH-UHFFFAOYSA-N 1 0 415.497 4.097 20 10 HICDRO CC(C)[C@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1cccnc1 ZINC000435808438 861075674 /nfs/dbraw/zinc/07/56/74/861075674.db2.gz MBGCWRXTYDMOPC-QFIPXVFZSA-N 1 0 418.585 4.359 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(OC(C)(C)C)CC2)C1 ZINC000435814907 861080162 /nfs/dbraw/zinc/08/01/62/861080162.db2.gz ZPHWSCZOGKWSNX-UHFFFAOYSA-N 1 0 411.590 4.214 20 10 HICDRO Cc1csc(N(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C2CC2)n1 ZINC000435859539 861116835 /nfs/dbraw/zinc/11/68/35/861116835.db2.gz AIGHQOUGRFYKBS-UHFFFAOYSA-N 1 0 408.571 4.368 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000471682629 886391635 /nfs/dbraw/zinc/39/16/35/886391635.db2.gz KQBGFMFVWSHIPM-UHFFFAOYSA-N 1 0 408.521 4.090 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000471776107 886508872 /nfs/dbraw/zinc/50/88/72/886508872.db2.gz WPXREAHXMQTEEB-SFHVURJKSA-N 1 0 410.587 4.260 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2(c3ccccn3)CCC2)C1 ZINC000552374875 941648306 /nfs/dbraw/zinc/64/83/06/941648306.db2.gz DPTKUFDXGBEXIF-UHFFFAOYSA-N 1 0 416.569 4.041 20 10 HICDRO Cc1cccnc1C(C)(C)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000564520046 945649083 /nfs/dbraw/zinc/64/90/83/945649083.db2.gz GHYZVUXRVMTGEO-UHFFFAOYSA-N 1 0 418.585 4.205 20 10 HICDRO CCc1nc(Cc2noc(Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)cs1 ZINC000569620232 946898245 /nfs/dbraw/zinc/89/82/45/946898245.db2.gz HAOJXYHPURFPMM-UHFFFAOYSA-N 1 0 421.570 4.449 20 10 HICDRO O=C1CCCN1C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(C(F)(F)F)c1 ZINC000054175241 849821594 /nfs/dbraw/zinc/82/15/94/849821594.db2.gz DVRFPMFCMXTEEO-LJQANCHMSA-N 1 0 404.432 4.094 20 10 HICDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644033 851945815 /nfs/dbraw/zinc/94/58/15/851945815.db2.gz VDXIVDHREYEPLK-FQEVSTJZSA-N 1 0 412.603 4.060 20 10 HICDRO COc1ccc(N2CCC[N@H+](Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)cc1 ZINC000097494615 852619271 /nfs/dbraw/zinc/61/92/71/852619271.db2.gz JZIFBHUNFRIJIA-UHFFFAOYSA-N 1 0 404.510 4.003 20 10 HICDRO COc1ccc(N2CCC[N@H+](CC(=O)N[C@H](C)c3ccc4ccccc4c3)CC2)cc1 ZINC000108095206 852822117 /nfs/dbraw/zinc/82/21/17/852822117.db2.gz MZDSUKBFVCEPDF-HXUWFJFHSA-N 1 0 417.553 4.238 20 10 HICDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(OCC2CC2)cc1 ZINC000108898613 852890417 /nfs/dbraw/zinc/89/04/17/852890417.db2.gz OPXMLYUCFQTJNW-UHFFFAOYSA-N 1 0 405.542 4.260 20 10 HICDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000215607689 853833492 /nfs/dbraw/zinc/83/34/92/853833492.db2.gz YUWAKPKWQZPTPO-FQEVSTJZSA-N 1 0 414.619 4.306 20 10 HICDRO C[C@@H](c1ccccc1)[N@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1O ZINC000216483327 853854573 /nfs/dbraw/zinc/85/45/73/853854573.db2.gz YYHPDLKNAVXPJV-IBGZPJMESA-N 1 0 424.566 4.406 20 10 HICDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1F ZINC000236968237 853944431 /nfs/dbraw/zinc/94/44/31/853944431.db2.gz QBPGWXNPOKFFJC-UHFFFAOYSA-N 1 0 409.505 4.485 20 10 HICDRO COCCOc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000237219978 853985390 /nfs/dbraw/zinc/98/53/90/853985390.db2.gz OKVNPXDKJPFICC-SFHVURJKSA-N 1 0 406.473 4.072 20 10 HICDRO FC(F)Oc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237844358 854106591 /nfs/dbraw/zinc/10/65/91/854106591.db2.gz JIFOBGJVPMAYBW-UHFFFAOYSA-N 1 0 416.390 4.433 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNc3nc(C(F)F)nc4ccccc43)cc2F)CC1 ZINC000301215403 854330202 /nfs/dbraw/zinc/33/02/02/854330202.db2.gz YHINXAZMGHPRDL-UHFFFAOYSA-N 1 0 415.463 4.461 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNc3nc(-c4cccnc4)nc(C)c3C)cc2F)CC1 ZINC000301394855 854381498 /nfs/dbraw/zinc/38/14/98/854381498.db2.gz KXWSCLNAGPTXTM-UHFFFAOYSA-N 1 0 420.536 4.049 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000303177512 854802825 /nfs/dbraw/zinc/80/28/25/854802825.db2.gz JVFGOMCTKVKABU-UHFFFAOYSA-N 1 0 419.569 4.083 20 10 HICDRO CC(C)c1nn(C)cc1-c1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000426258929 856207211 /nfs/dbraw/zinc/20/72/11/856207211.db2.gz WBVWNKJBLAORNG-UHFFFAOYSA-N 1 0 418.545 4.363 20 10 HICDRO COc1ccc2c(c1)CN(C(=O)Cn1c3ccccc3c3c1CC[N@H+](C(C)C)C3)CC2 ZINC000435536581 860850682 /nfs/dbraw/zinc/85/06/82/860850682.db2.gz URWRDXICOHNOFA-UHFFFAOYSA-N 1 0 417.553 4.001 20 10 HICDRO Cc1oc2ncnc(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)c2c1C ZINC000435662192 860941945 /nfs/dbraw/zinc/94/19/45/860941945.db2.gz CQZFLVDUYPOTPS-UHFFFAOYSA-N 1 0 417.513 4.200 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@](C)(C2CC2)C(F)(F)F)C1 ZINC000435826955 861092293 /nfs/dbraw/zinc/09/22/93/861092293.db2.gz PUKYKGDNXNKOMI-NRFANRHFSA-N 1 0 407.480 4.255 20 10 HICDRO COCc1cc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)ccc1F ZINC000435854018 861115173 /nfs/dbraw/zinc/11/51/73/861115173.db2.gz FJCOIVCREQZGSD-UHFFFAOYSA-N 1 0 423.532 4.010 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2c2ccncc2)C1 ZINC000443913890 868448724 /nfs/dbraw/zinc/44/87/24/868448724.db2.gz QOYPNFGOBSQPIT-QFIPXVFZSA-N 1 0 402.542 4.167 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000471998522 886824562 /nfs/dbraw/zinc/82/45/62/886824562.db2.gz LXNSDBJYCMSPME-AVRDEDQJSA-N 1 0 404.558 4.197 20 10 HICDRO CCc1cnccc1-c1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000565979879 945959797 /nfs/dbraw/zinc/95/97/97/945959797.db2.gz QDDSTEPYAOSWGW-UHFFFAOYSA-N 1 0 401.514 4.464 20 10 HICDRO COc1ccc(N2CCC[N@H+](CC(=O)N[C@@H](C)c3ccc4ccccc4c3)CC2)cc1 ZINC000108095203 852822001 /nfs/dbraw/zinc/82/20/01/852822001.db2.gz MZDSUKBFVCEPDF-FQEVSTJZSA-N 1 0 417.553 4.238 20 10 HICDRO FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2)n1 ZINC000139985175 853429052 /nfs/dbraw/zinc/42/90/52/853429052.db2.gz FFCVXUQQRBQIAT-UHFFFAOYSA-N 1 0 416.447 4.018 20 10 HICDRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000145606321 853554110 /nfs/dbraw/zinc/55/41/10/853554110.db2.gz PXUMYSWMJXVNMO-FQEVSTJZSA-N 1 0 407.558 4.000 20 10 HICDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000236581634 853899557 /nfs/dbraw/zinc/89/95/57/853899557.db2.gz GKBLWLUVBVTHCS-SFHVURJKSA-N 1 0 423.548 4.274 20 10 HICDRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000236655617 853908007 /nfs/dbraw/zinc/90/80/07/853908007.db2.gz HADIROWYXITHIT-UHFFFAOYSA-N 1 0 404.558 4.296 20 10 HICDRO CCOc1cccc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1O ZINC000236932281 853939513 /nfs/dbraw/zinc/93/95/13/853939513.db2.gz LTXUHHFQDHMJBQ-GOSISDBHSA-N 1 0 422.447 4.263 20 10 HICDRO COCCOc1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237125955 853968654 /nfs/dbraw/zinc/96/86/54/853968654.db2.gz WUNWIVQIFTUMQV-GOSISDBHSA-N 1 0 406.473 4.072 20 10 HICDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237314494 854004506 /nfs/dbraw/zinc/00/45/06/854004506.db2.gz XLELPWPASSFGSJ-INIZCTEOSA-N 1 0 421.463 4.049 20 10 HICDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000237535492 854051193 /nfs/dbraw/zinc/05/11/93/854051193.db2.gz UIHSNUYWRCZQNN-HNNXBMFYSA-N 1 0 422.456 4.292 20 10 HICDRO Cc1cc(O)c(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1C ZINC000237861120 854109618 /nfs/dbraw/zinc/10/96/18/854109618.db2.gz COBXBIDPQPUWPY-HXUWFJFHSA-N 1 0 408.464 4.191 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNc3nc(-c4ccncc4)nc(C)c3C)cc2F)CC1 ZINC000301240092 854336843 /nfs/dbraw/zinc/33/68/43/854336843.db2.gz FTXJOMCSYGLOER-UHFFFAOYSA-N 1 0 420.536 4.049 20 10 HICDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(Cl)sc3Cl)cc2F)CC1 ZINC000303294163 854856409 /nfs/dbraw/zinc/85/64/09/854856409.db2.gz LMCRBOVUOLIZOR-UHFFFAOYSA-N 1 0 416.349 4.266 20 10 HICDRO O=C(c1cccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1)N1CCCCC1 ZINC000303394575 854906857 /nfs/dbraw/zinc/90/68/57/854906857.db2.gz QISVKZLODVLNLW-QHCPKHFHSA-N 1 0 408.542 4.200 20 10 HICDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@H](C)C1 ZINC000303677952 855126307 /nfs/dbraw/zinc/12/63/07/855126307.db2.gz JJKBMEUDDLLHPH-HXOBKFHXSA-N 1 0 415.553 4.100 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ncccc2OC(F)F)C1 ZINC000435866316 861127582 /nfs/dbraw/zinc/12/75/82/861127582.db2.gz GTTBDAOXMVSCEH-UHFFFAOYSA-N 1 0 414.456 4.043 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000435915437 861175839 /nfs/dbraw/zinc/17/58/39/861175839.db2.gz QUOFQGWRRWHGHO-HXUWFJFHSA-N 1 0 423.601 4.406 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000471288353 885872161 /nfs/dbraw/zinc/87/21/61/885872161.db2.gz RFBMCVOMPNCSMG-QFIPXVFZSA-N 1 0 419.569 4.156 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000471288352 885872519 /nfs/dbraw/zinc/87/25/19/885872519.db2.gz RFBMCVOMPNCSMG-JOCHJYFZSA-N 1 0 419.569 4.156 20 10 HICDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000472071880 886876468 /nfs/dbraw/zinc/87/64/68/886876468.db2.gz BTPYXEXSQLNESC-RXVVDRJESA-N 1 0 404.558 4.339 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)ccc21 ZINC000483467216 899108673 /nfs/dbraw/zinc/10/86/73/899108673.db2.gz HRBRIQQOISDTGG-REWPJTCUSA-N 1 0 419.569 4.470 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3cnn(C(C)(C)C)c3)no2)C1 ZINC000563914826 945324241 /nfs/dbraw/zinc/32/42/41/945324241.db2.gz BRJLEUCXEFSLID-UHFFFAOYSA-N 1 0 418.545 4.458 20 10 HICDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)CCC[N@H+](C)Cc3ccco3)ccc21 ZINC000552758153 941753941 /nfs/dbraw/zinc/75/39/41/941753941.db2.gz VUNHKPUOHPNKSG-UHFFFAOYSA-N 1 0 411.546 4.092 20 10 HICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc([C@H](C)c3ccncc3)no2)C1 ZINC000572284306 947875824 /nfs/dbraw/zinc/87/58/24/947875824.db2.gz FRMNJUKYPVNVAO-QGZVFWFLSA-N 1 0 401.514 4.386 20 10 HICDRO